| 1 | M | 28.9 | Very low | 29.6 | Very low | 237 Ų | 237 | 157 Ų | 157 | 100% | 1.167 | 83% | 0.832 | S | S | * | * | | | | 0 | 144.7 | 0 | -77.3 | 174 | 164.2 | 0 | 0 | 109.3 | | |
| 2 | N | 30.5 | Very low | 29.2 | Very low | 159 Ų | 159 | 157.9 Ų | 157.9 | 85% | 0.85 | 84% | 0.837 | S | S | * | * | | | trans | 33.2 | 122.1 | 155.2 | -55.7 | 7.1 | 0 | 0 | 0 | 121.2 | | |
| 3 | S | 24.1 | Very low | 29.1 | Very low | 108 Ų | 108 | 155.9 Ų | 155.9 | 76% | 0.755 | 84% | 0.835 | S | S | * | * | | | trans | -70.4 | 159.8 | 155.8 | 54.9 | 0 | 0 | 0 | 0 | 112.3 | | |
| 4 | P | 41.9 | Very low | 28.9 | Very low | 113 Ų | 113 | 152.9 Ų | 152.9 | 73% | 0.734 | 83% | 0.831 | S | S | * | * | | | | -135.3 | 130.1 | 85.1 | 31.8 | -15.9 | 0 | 0 | 0 | 113 | | |
| 5 | S | 31 | Very low | 28.9 | Very low | 103 Ų | 103 | 151.5 Ų | 151.5 | 72% | 0.72 | 83% | 0.829 | S | S | * | * | | | | 78.7 | 138.9 | 94.6 | 92.8 | 0 | 0 | 0 | 0 | 113.8 | | |
| 6 | L | 30.8 | Very low | 28.8 | Very low | 170 Ų | 170 | 157.1 Ų | 157.1 | 89% | 0.89 | 84% | 0.835 | S | S | * | * | | | cis | -116.2 | 159.5 | 1.1 | -68.5 | 120.1 | 0 | 0 | 0 | 111.9 | | |
| 7 | R | 25 | Very low | 28.8 | Very low | 227 Ų | 227 | 152.8 Ų | 152.8 | 86% | 0.857 | 84% | 0.836 | S | S | * | * | | | trans | -112.5 | 134.7 | 169 | -78.5 | -175 | 174.7 | -174.8 | -1.1 | 111.1 | | |
| 8 | Q | 30.7 | Very low | 28.8 | Very low | 201 Ų | 201 | 148.5 Ų | 148.5 | 94% | 0.939 | 83% | 0.833 | S | S | * | * | | | trans | -130.7 | 136.9 | 145 | -78.2 | -172.8 | -18.9 | 0 | 0 | 107.8 | | |
| 9 | T | 30.2 | Very low | 28.8 | Very low | 102 Ų | 102 | 147.8 Ų | 147.8 | 63% | 0.626 | 84% | 0.839 | S | S | * | * | | | trans | -123.5 | 129.5 | -167.8 | 46.3 | 0 | 0 | 0 | 0 | 111.5 | | |
| 10 | N | 24.7 | Very low | 28.8 | Very low | 171 Ų | 171 | 152.5 Ų | 152.5 | 91% | 0.914 | 84% | 0.842 | S | S | * | * | | | trans | -63.3 | 144.1 | 168.4 | -66.2 | -39.3 | 0 | 0 | 0 | 110.8 | | |
| 11 | I | 28.4 | Very low | 28.8 | Very low | 136 Ų | 136 | 152.1 Ų | 152.1 | 70% | 0.697 | 84% | 0.844 | S | S | * | * | | | trans | -136.1 | 119.8 | 168.2 | -58.7 | -178.5 | 0 | 0 | 0 | 108.7 | V13 | I11-V13 HydrophobicContact CG2-CG2 3.82Š|
| 12 | N | 23.9 | Very low | 28.6 | Very low | 168 Ų | 168 | 151.3 Ų | 151.3 | 90% | 0.898 | 83% | 0.828 | S | S | * | * | | | trans | -88.7 | 148 | 159.1 | -90.1 | -18.3 | 0 | 0 | 0 | 108.6 | | |
| 13 | V | 28.7 | Very low | 28.5 | Very low | 132 Ų | 132 | 151.6 Ų | 151.6 | 80% | 0.8 | 83% | 0.828 | S | S | * | * | | | trans | -129.6 | 138.1 | 177.9 | -177.9 | 0 | 0 | 0 | 0 | 110.4 | I11 | I11-V13 HydrophobicContact CG2-CG2 3.82Š|
| 14 | S | 25.7 | Very low | 28.7 | Very low | 113 Ų | 113 | 153.9 Ų | 153.9 | 79% | 0.79 | 83% | 0.826 | S | S | * | * | | | trans | -117.7 | 172.2 | 169.1 | -168 | 0 | 0 | 0 | 0 | 110.5 | | |
| 15 | V | 29.6 | Very low | 27.8 | Very low | 132 Ų | 132 | 158.8 Ų | 158.8 | 80% | 0.8 | 83% | 0.83 | S | S | * | * | | | trans | -94.8 | 128.4 | -152 | 178.2 | 0 | 0 | 0 | 0 | 114.6 | | |
| 16 | R | 26.6 | Very low | 27.7 | Very low | 242 Ų | 242 | 159.7 Ų | 159.7 | 91% | 0.913 | 84% | 0.837 | S | S | * | * | | | | -175.6 | 131.8 | 127.6 | -109.6 | -178.4 | 176.6 | -161.8 | -0.6 | 115.6 | | |
| 17 | G | 29 | Very low | 27.6 | Very low | 84 Ų | 84 | 160.1 Ų | 160.1 | 87% | 0.866 | 83% | 0.834 | S | S | * | * | | | trans | 79 | 141.2 | 140.1 | 0 | 0 | 0 | 0 | 0 | 120.4 | | |
| 18 | G | 28.3 | Very low | 27.8 | Very low | 75 Ų | 75 | 154.8 Ų | 154.8 | 77% | 0.773 | 83% | 0.832 | S | S | * | * | | | trans | 119.5 | 71.3 | 149.6 | 0 | 0 | 0 | 0 | 0 | 119.9 | | |
| 19 | S | 29.4 | Very low | 27.9 | Very low | 135 Ų | 135 | 150.3 Ų | 150.3 | 94% | 0.944 | 82% | 0.82 | S | S | * | * | | | trans | 66.2 | 170.1 | 152.8 | -65.9 | 0 | 0 | 0 | 0 | 119.8 | | |
| 20 | R | 28 | Very low | 27.8 | Very low | 241 Ų | 241 | 154.8 Ų | 154.8 | 91% | 0.909 | 83% | 0.834 | S | S | * | * | | | trans | -105 | 149.1 | -166.4 | -65.4 | 173.1 | 171 | 166.2 | -4.2 | 113.2 | | |
| 21 | V | 28.9 | Very low | 28 | Very low | 145 Ų | 145 | 149.9 Ų | 149.9 | 88% | 0.879 | 82% | 0.824 | S | S | * | * | | | trans | -122 | 150 | 148.7 | 177.6 | 0 | 0 | 0 | 0 | 108.6 | | |
| 22 | R | 25.6 | Very low | 27.9 | Very low | 221 Ų | 221 | 153.1 Ų | 153.1 | 83% | 0.834 | 83% | 0.833 | S | S | * | * | | | trans | -136.3 | 126.3 | -171.5 | -178.4 | -166.2 | -159.7 | 179.3 | 7.3 | 109.4 | | |
| 23 | I | 29 | Very low | 28.1 | Very low | 165 Ų | 165 | 152.1 Ų | 152.1 | 85% | 0.846 | 83% | 0.826 | S | S | * | * | | | trans | -124.3 | 151 | 164.7 | -62.6 | -177.3 | 0 | 0 | 0 | 108 | | |
| 24 | Q | 27.7 | Very low | 27.9 | Very low | 155 Ų | 155 | 152.6 Ų | 152.6 | 72% | 0.724 | 82% | 0.824 | S | S | * | * | | | trans | -99.7 | 147.1 | -160.4 | -70.8 | 164.9 | -83.1 | 0 | 0 | 114.8 | | |
| 25 | R | 24 | Very low | 27.9 | Very low | 217 Ų | 217 | 153.9 Ų | 153.9 | 82% | 0.819 | 82% | 0.821 | S | S | * | * | | | trans | 24.1 | 129.5 | 140.8 | -63.6 | 179.7 | 171 | -178 | -4 | 119.1 | | |
| 26 | S | 28.6 | Very low | 27.8 | Very low | 122 Ų | 122 | 152.5 Ų | 152.5 | 85% | 0.853 | 82% | 0.818 | S | S | * | * | | | | -129 | 165.6 | 115.8 | 64.6 | 0 | 0 | 0 | 0 | 109.3 | | |
| 27 | Q | 28 | Very low | 27.6 | Very low | 178 Ų | 178 | 150.7 Ų | 150.7 | 83% | 0.832 | 81% | 0.812 | S | S | * | * | | | trans | -114.1 | 140.7 | 179.1 | -72.2 | 174.4 | -52 | 0 | 0 | 110.2 | | |
| 28 | S | 28.5 | Very low | 27.5 | Very low | 116 Ų | 116 | 156.5 Ų | 156.5 | 81% | 0.811 | 81% | 0.814 | S | S | * | * | | | trans | -152.2 | 132.9 | 155.3 | -169.8 | 0 | 0 | 0 | 0 | 109.2 | | |
| 29 | P | 32.7 | Very low | 27.3 | Very low | 107 Ų | 107 | 163.6 Ų | 163.6 | 70% | 0.695 | 82% | 0.818 | S | S | * | * | | | trans | -87.1 | -178.2 | 179.8 | 36.1 | -35.4 | 0 | 0 | 0 | 112.5 | | |
| 30 | Q | 28 | Very low | 27.2 | Very low | 195 Ų | 195 | 165.9 Ų | 165.9 | 91% | 0.911 | 81% | 0.813 | S | S | * | * | | | trans | 74.5 | 93.8 | 174.5 | -48.5 | -178.7 | 15.4 | 0 | 0 | 115.7 | | |
| 31 | G | 29.6 | Very low | 27.2 | Very low | 69 Ų | 69 | 157.5 Ų | 157.5 | 71% | 0.711 | 80% | 0.802 | S | S | * | * | | | trans | -162.7 | 116.3 | 168.4 | 0 | 0 | 0 | 0 | 0 | 111.3 | I33 | G31-I33 PolarHBondContact O-N 3.46Š|
| 32 | K | 26.7 | Very low | 27.1 | Very low | 204 Ų | 204 | 156.1 Ų | 156.1 | 89% | 0.887 | 80% | 0.799 | S | S | * | * | | | trans | -73.3 | 113 | 179.9 | -68.4 | 176 | -179.6 | 173.5 | 0 | 110.2 | N34 | K32-N34 PolarHBondContact O-N 2.83Š|
| 33 | I | 28 | Very low | 27.2 | Very low | 147 Ų | 147 | 151.9 Ų | 151.9 | 75% | 0.754 | 80% | 0.797 | S | S | * | * | | | trans | -80.7 | 86.6 | 173.6 | -57.1 | -179.5 | 0 | 0 | 0 | 109.5 | G31 L35 | G31-I33 PolarHBondContact O-N 3.46Å; I33-L35 HydrophobicContact CG2-CD1 3.98Å; I33-L35 HydrophobicContact CG2-CG 3.86Å; I33-L35 PolarHBondContact O-N 3.03Å |
| 34 | N | 25 | Very low | 27.2 | Very low | 142 Ų | 142 | 149.7 Ų | 149.7 | 76% | 0.759 | 80% | 0.796 | S | S | * | * | | | trans | -79 | 98.9 | 162.8 | -88.3 | -8.1 | 0 | 0 | 0 | 109.1 | K32 S36 | K32-N34 PolarHBondContact O-N 2.83Å; N34-S36 PolarHBondContact O-N 2.83Å |
| 35 | L | 25.5 | Very low | 27.5 | Very low | 139 Ų | 139 | 147.5 Ų | 147.5 | 73% | 0.728 | 80% | 0.795 | S | S | * | * | | | trans | -80.5 | 63.8 | 174 | -94 | 161.7 | 0 | 0 | 0 | 111.9 | I33 | I33-L35 HydrophobicContact CG2-CD1 3.98Å; I33-L35 HydrophobicContact CG2-CG 3.86Å; I33-L35 PolarHBondContact O-N 3.03Å |
| 36 | S | 26.6 | Very low | 28 | Very low | 103 Ų | 103 | 143.2 Ų | 143.2 | 72% | 0.72 | 80% | 0.796 | S | S | * | * | | | trans | -92.1 | 97.1 | 169.2 | 56.7 | 0 | 0 | 0 | 0 | 110.3 | N34 F38 | N34-S36 PolarHBondContact O-N 2.83Å; S36-F38 PolarHBondContact O-N 2.85Å |
| 37 | Y | 23.1 | Very low | 28 | Very low | 205 Ų | 205 | 148.6 Ų | 148.6 | 80% | 0.804 | 80% | 0.797 | S | S | * | * | | | trans | -60.6 | 125.5 | 173.3 | -80.3 | -98 | 0 | 0 | 0 | 111.5 | | |
| 38 | F | 27 | Very low | 28.1 | Very low | 206 Ų | 206 | 148.3 Ų | 148.3 | 90% | 0.904 | 79% | 0.794 | S | S | * | * | | | trans | -140.6 | 136.9 | 151.4 | -111.7 | -81.5 | 0 | 0 | 0 | 111.7 | S36 | S36-F38 PolarHBondContact O-N 2.85Š|
| 39 | R | 24.1 | Very low | 28.3 | Very low | 224 Ų | 224 | 149 Ų | 149 | 85% | 0.845 | 79% | 0.787 | S | S | * | * | | | trans | -70.1 | 145.8 | 168.7 | -65.5 | 173.5 | 171.5 | 179.7 | -4 | 109.4 | | |
| 40 | H | 27.2 | Very low | 28.1 | Very low | 182 Ų | 182 | 152.4 Ų | 152.4 | 84% | 0.843 | 79% | 0.793 | S | S | * | * | | | | -174.9 | 147.8 | 119.9 | -91.6 | -68.7 | 0 | 0 | 0 | 107.6 | | |
| 41 | G | 27.3 | Very low | 28.2 | Very low | 66 Ų | 66 | 147.8 Ų | 147.8 | 68% | 0.68 | 78% | 0.783 | S | S | * | * | | | cis | 177.1 | -169 | -2.8 | 0 | 0 | 0 | 0 | 0 | 110.6 | | |
| 42 | S | 27.6 | Very low | 28.1 | Very low | 116 Ų | 116 | 152.5 Ų | 152.5 | 81% | 0.811 | 79% | 0.791 | S | S | * | * | | | trans | -159.1 | 144.9 | 173.5 | 55.5 | 0 | 0 | 0 | 0 | 110.3 | | |
| 43 | V | 27.9 | Very low | 28.2 | Very low | 131 Ų | 131 | 147.9 Ų | 147.9 | 79% | 0.794 | 78% | 0.783 | S | S | * | * | | | cis | -153.3 | 155.2 | -15.8 | 132.5 | 0 | 0 | 0 | 0 | 105.5 | | |
| 44 | S | 27.6 | Very low | 28.5 | Very low | 119 Ų | 119 | 149.6 Ų | 149.6 | 83% | 0.832 | 79% | 0.786 | S | S | * | * | | | trans | -151.4 | 124.4 | 163 | -78.1 | 0 | 0 | 0 | 0 | 111.8 | | |
| 45 | P | 34.2 | Very low | 28.9 | Very low | 109 Ų | 109 | 149 Ų | 149 | 71% | 0.708 | 78% | 0.782 | S | S | * | * | P | Polyproline II helix | trans | -86.6 | 164.2 | 178.2 | 35.5 | -35.4 | 0 | 0 | 0 | 112.8 | | |
| 46 | P | 34.6 | Very low | 29.2 | Very low | 128 Ų | 128 | 148.7 Ų | 148.7 | 83% | 0.831 | 78% | 0.781 | S | S | * | * | P | Polyproline II helix | trans | -73.8 | 163.2 | 178.4 | 30.9 | -35.9 | 0 | 0 | 0 | 113.9 | | |
| 47 | R | 29.2 | Very low | 29.5 | Very low | 234 Ų | 234 | 150.2 Ų | 150.2 | 88% | 0.883 | 79% | 0.787 | S | S | * | * | P | Polyproline II helix | trans | -97.6 | 173.2 | 171.1 | -44.2 | 174.8 | 178.6 | 164.2 | -2.1 | 108.4 | | |
| 48 | K | 30.5 | Very low | 29.9 | Very low | 173 Ų | 173 | 145 Ų | 145 | 75% | 0.752 | 79% | 0.786 | S | S | * | * | | | cis | -168.7 | -175.4 | 8.3 | -147.5 | -178.7 | 178.8 | -162.2 | 0 | 108.3 | | |
| 49 | I | 31.1 | Very low | 30.1 | Very low | 131 Ų | 131 | 140.3 Ų | 140.3 | 67% | 0.672 | 78% | 0.778 | S | S | * | * | | | trans | 74.1 | 135.3 | 155.2 | -70.1 | 157.9 | 0 | 0 | 0 | 114.7 | | |
| 50 | E | 29.8 | Very low | 30.6 | Very low | 178 Ų | 178 | 137.7 Ų | 137.7 | 83% | 0.832 | 78% | 0.776 | S | S | * | * | | | cis | -150.4 | -179.7 | -10.5 | -124.6 | 160.5 | -151.4 | 0 | 0 | 112.1 | | |
| 51 | S | 29.2 | Very low | 30.8 | Very low | 98 Ų | 98 | 134.3 Ų | 134.3 | 69% | 0.685 | 77% | 0.768 | S | S | * | * | | | trans | -115 | 150.7 | -170.1 | 57.1 | 0 | 0 | 0 | 0 | 114.2 | | |
| 52 | N | 29 | Very low | 31 | Very low | 167 Ų | 167 | 135.8 Ų | 135.8 | 89% | 0.893 | 77% | 0.768 | S | S | * | * | | | trans | -145 | 162.2 | 155.4 | -123 | -29 | 0 | 0 | 0 | 111.6 | | |
| 53 | C | 27.6 | Very low | 31.2 | Very low | 107 Ų | 107 | 136.1 Ų | 136.1 | 72% | 0.723 | 77% | 0.769 | S | S | * | * | | | trans | -144.7 | 177.9 | -161.3 | -65.3 | 0 | 0 | 0 | 0 | 113.6 | | |
| 54 | K | 33.7 | Very low | 31.3 | Very low | 184 Ų | 184 | 135.6 Ų | 135.6 | 80% | 0.8 | 77% | 0.766 | S | S | * | * | | | trans | 94.3 | 155.3 | 169.5 | -58.6 | -174.7 | 177.8 | -175 | 0 | 115.9 | | |
| 55 | D | 33.6 | Very low | 31.4 | Very low | 128 Ų | 128 | 139 Ų | 139 | 68% | 0.684 | 76% | 0.76 | S | S | * | * | | | cis | -138.3 | -178.9 | 15.5 | -130.9 | -45.8 | 0 | 0 | 0 | 116.3 | | |
| 56 | N | 33.2 | Very low | 31.2 | Very low | 133 Ų | 133 | 141.7 Ų | 141.7 | 71% | 0.711 | 76% | 0.757 | S | S | * | * | | | trans | -77.2 | 171 | -166.6 | -71.5 | -91.9 | 0 | 0 | 0 | 114.5 | | |
| 57 | T | 32.2 | Very low | 31 | Very low | 136 Ų | 136 | 144.3 Ų | 144.3 | 83% | 0.834 | 75% | 0.75 | S | S | * | * | | | cis | -133.7 | -124.9 | 20.8 | -37.4 | 0 | 0 | 0 | 0 | 113 | | |
| 58 | A | 31.6 | Very low | 31.1 | Very low | 95 Ų | 95 | 140.8 Ų | 140.8 | 79% | 0.785 | 74% | 0.743 | S | S | * | * | | | cis | -142.7 | -137.3 | 10.7 | 0 | 0 | 0 | 0 | 0 | 112.7 | | |
| 59 | S | 32 | Very low | 31.1 | Very low | 107 Ų | 107 | 137.2 Ų | 137.2 | 75% | 0.748 | 74% | 0.74 | S | S | * | * | | | trans | -155.2 | 165.1 | -166.8 | 66.4 | 0 | 0 | 0 | 0 | 112.8 | | |
| 60 | Q | 33.7 | Very low | 30.8 | Very low | 169 Ų | 169 | 137.8 Ų | 137.8 | 79% | 0.79 | 74% | 0.743 | S | S | * | * | | | cis | -113.9 | -133.1 | 4.7 | -64.3 | 176.2 | 67 | 0 | 0 | 109.8 | | |
| 61 | T | 32.5 | Very low | 30.5 | Very low | 112 Ų | 112 | 135.5 Ų | 135.5 | 69% | 0.687 | 74% | 0.742 | S | S | * | * | | | cis | -168.6 | 161.4 | -5.4 | 4.4 | 0 | 0 | 0 | 0 | 105.3 | | |
| 62 | S | 30.5 | Very low | 30.4 | Very low | 96 Ų | 96 | 138.1 Ų | 138.1 | 67% | 0.671 | 75% | 0.746 | S | S | * | * | | | cis | -179.4 | 126.4 | -30.6 | 50 | 0 | 0 | 0 | 0 | 108.6 | | |
| 63 | C | 32.3 | Very low | 30.2 | Very low | 124 Ų | 124 | 137 Ų | 137 | 84% | 0.838 | 74% | 0.735 | S | S | * | * | | | cis | -130.4 | -101.6 | -9.8 | -71.6 | 0 | 0 | 0 | 0 | 110.8 | | |
| 64 | V | 29.3 | Very low | 30.1 | Very low | 120 Ų | 120 | 141.8 Ų | 141.8 | 73% | 0.727 | 74% | 0.739 | S | S | * | * | | | cis | -143.1 | 125.3 | -4.4 | 176.6 | 0 | 0 | 0 | 0 | 109.7 | | |
| 65 | R | 30.1 | Very low | 29.8 | Very low | 189 Ų | 189 | 142 Ų | 142 | 71% | 0.713 | 74% | 0.74 | S | S | * | * | | | trans | 58.1 | 114 | 163.5 | -71.9 | -179.1 | 175.7 | -176.1 | 1.5 | 121.5 | | |
| 66 | R | 29.5 | Very low | 29.3 | Very low | 166 Ų | 166 | 140.9 Ų | 140.9 | 63% | 0.626 | 74% | 0.741 | S | S | * | * | | | | 75.2 | 147.7 | 119 | -64.5 | 174.7 | -177.6 | 174.4 | -0.9 | 118.4 | | |
| 67 | R | 30.7 | Very low | 29.1 | Very low | 184 Ų | 184 | 144.9 Ų | 144.9 | 69% | 0.694 | 75% | 0.746 | S | S | * | * | | | cis | -158.3 | 137.5 | -2.2 | -124.7 | 166.6 | 180 | 176.5 | -2.6 | 111.1 | | |
| 68 | H | 30.7 | Very low | 29.4 | Very low | 160 Ų | 160 | 143.9 Ų | 143.9 | 74% | 0.741 | 75% | 0.745 | S | S | * | * | | | trans | 52.7 | 118.2 | 134.7 | -74.8 | -131 | 0 | 0 | 0 | 121.7 | | |
| 69 | S | 30.6 | Very low | 29.5 | Very low | 97 Ų | 97 | 142.7 Ų | 142.7 | 68% | 0.678 | 73% | 0.73 | S | S | * | * | | | | 57.7 | 140.6 | 116.3 | 82.4 | 0 | 0 | 0 | 0 | 120.3 | | |
| 70 | L | 26.4 | Very low | 29.2 | Very low | 143 Ų | 143 | 145.1 Ų | 145.1 | 75% | 0.749 | 73% | 0.732 | S | S | * | * | | | cis | -139.5 | 143.2 | 43.6 | -148.5 | 96.5 | 0 | 0 | 0 | 114.1 | I72 | L70-I72 HydrophobicContact CD2-CB 4.45Å; L70-I72 HydrophobicContact CD2-CD1 4.3Å |
| 71 | V | 22.3 | Very low | 28.9 | Very low | 131 Ų | 131 | 142.8 Ų | 142.8 | 79% | 0.794 | 73% | 0.73 | S | S | * | * | | | trans | -96.8 | 132.2 | 156.4 | 170.9 | 0 | 0 | 0 | 0 | 107.1 | | |
| 72 | I | 28 | Very low | 28.5 | Very low | 152 Ų | 152 | 144.4 Ų | 144.4 | 78% | 0.779 | 73% | 0.734 | S | S | * | * | | | trans | -153.7 | 114.3 | 143.7 | -104.8 | 149.2 | 0 | 0 | 0 | 111.5 | L70 | L70-I72 HydrophobicContact CD2-CB 4.45Å; L70-I72 HydrophobicContact CD2-CD1 4.3Å |
| 73 | Q | 23.8 | Very low | 28.2 | Very low | 143 Ų | 143 | 144.8 Ų | 144.8 | 67% | 0.668 | 74% | 0.737 | S | S | * | * | | | trans | -44.2 | 131.4 | 160.5 | -169.2 | -159.5 | 86.1 | 0 | 0 | 112.8 | | |
| 74 | R | 25.2 | Very low | 28 | Very low | 209 Ų | 209 | 148.7 Ų | 148.7 | 79% | 0.789 | 74% | 0.735 | S | S | * | * | | | | 162.8 | 158.1 | 123.4 | -89.1 | 161.4 | -175.9 | -154.3 | -5 | 115.2 | | |
| 75 | K | 27 | Very low | 27.8 | Very low | 189 Ų | 189 | 149.1 Ų | 149.1 | 82% | 0.822 | 73% | 0.734 | S | S | * | * | | | trans | 65 | 97.5 | 159.8 | -75.7 | 178 | 179.7 | 179.7 | 0 | 117.5 | | |
| 76 | S | 23.5 | Very low | 27.5 | Very low | 103 Ų | 103 | 150.7 Ų | 150.7 | 72% | 0.72 | 74% | 0.74 | S | S | * | * | | | | -12.9 | 143.9 | 120.5 | 48.5 | 0 | 0 | 0 | 0 | 115 | | |
| 77 | R | 28.9 | Very low | 27.2 | Very low | 217 Ų | 217 | 149 Ų | 149 | 82% | 0.819 | 74% | 0.742 | S | S | * | * | | | | -161.5 | 116.3 | 82 | -112.3 | -175.2 | 173.3 | -175.1 | -0.6 | 114.2 | P79 | R77-P79 HydrophobicContact CG-CG 4.09Š|
| 78 | S | 40 | Very low | 27 | Very low | 116 Ų | 116 | 144.8 Ų | 144.8 | 81% | 0.811 | 74% | 0.741 | S | S | * | * | | | | -77.3 | 129.1 | 125.6 | 48.9 | 0 | 0 | 0 | 0 | 107.8 | | |
| 79 | P | 33.3 | Very low | 26.8 | Very low | 70 Ų | 70 | 145.8 Ų | 145.8 | 46% | 0.455 | 75% | 0.747 | S | S | . | * | | | | -139.3 | 145.1 | 115.4 | 17.8 | 5.4 | 0 | 0 | 0 | 111.2 | R77 | R77-P79 HydrophobicContact CG-CG 4.09Š|
| 80 | I | 24.8 | Very low | 26.8 | Very low | 158 Ų | 158 | 150.2 Ų | 150.2 | 81% | 0.81 | 75% | 0.751 | S | S | * | * | | | | 56.4 | 110.9 | 77.1 | -51 | 158.1 | 0 | 0 | 0 | 109.6 | | |
| 81 | T | 27.3 | Very low | 26.8 | Very low | 120 Ų | 120 | 150.9 Ų | 150.9 | 74% | 0.736 | 75% | 0.75 | S | S | * | * | | | cis | -138.2 | 160.8 | 27.4 | 51.3 | 0 | 0 | 0 | 0 | 115.4 | | |
| 82 | N | 24.6 | Very low | 27.1 | Very low | 146 Ų | 146 | 151.9 Ų | 151.9 | 78% | 0.781 | 75% | 0.746 | S | S | * | * | | | trans | 24 | 128.1 | 145 | -68.2 | 0.6 | 0 | 0 | 0 | 122.4 | | |
| 83 | S | 24.9 | Very low | 27 | Very low | 104 Ų | 104 | 152.7 Ų | 152.7 | 73% | 0.727 | 74% | 0.744 | S | S | * | * | | | trans | 91.4 | 147.3 | 133.5 | 79.7 | 0 | 0 | 0 | 0 | 121.2 | | |
| 84 | Y | 26.4 | Very low | 27.1 | Very low | 205 Ų | 205 | 154.8 Ų | 154.8 | 80% | 0.804 | 75% | 0.75 | S | S | * | * | | | trans | 60.1 | 99 | 164.2 | -68.8 | -69.2 | 0 | 0 | 0 | 121.6 | | |
| 85 | N | 25.1 | Very low | 27.2 | Very low | 129 Ų | 129 | 150.3 Ų | 150.3 | 69% | 0.69 | 75% | 0.746 | S | S | * | * | | | | 51.9 | 122 | 120.9 | -81.6 | -18 | 0 | 0 | 0 | 121.6 | | |
| 86 | R | 23.8 | Very low | 27.2 | Very low | 223 Ų | 223 | 147.9 Ų | 147.9 | 84% | 0.842 | 75% | 0.748 | S | S | * | * | | | trans | 68.9 | 161 | 143.5 | -66.6 | -176.7 | 175.9 | -172.3 | -1.6 | 115.3 | | |
| 87 | I | 23.6 | Very low | 27.7 | Very low | 131 Ų | 131 | 148.3 Ų | 148.3 | 67% | 0.672 | 75% | 0.748 | S | S | * | * | | | cis | -140.1 | 179.2 | 6.8 | -141.5 | 154.1 | 0 | 0 | 0 | 111.8 | | |
| 88 | S | 26 | Very low | 27.6 | Very low | 95 Ų | 95 | 143.9 Ų | 143.9 | 66% | 0.664 | 75% | 0.745 | S | S | * | * | | | trans | -63.6 | 169.5 | 179.6 | 50.6 | 0 | 0 | 0 | 0 | 115.7 | | |
| 89 | M | 27.6 | Very low | 26.9 | Very low | 180 Ų | 180 | 145.9 Ų | 145.9 | 89% | 0.887 | 75% | 0.747 | S | S | * | * | | | trans | -44.9 | 138.1 | 175.2 | -64.3 | -82.5 | -82.3 | 0 | 0 | 114 | | |
| 90 | Y | 29.4 | Very low | 26.5 | Very low | 190 Ų | 190 | 145.8 Ų | 145.8 | 75% | 0.745 | 76% | 0.759 | S | S | * | * | | | trans | -75.2 | 162.5 | 167.6 | -80.8 | -85.7 | 0 | 0 | 0 | 110.8 | | |
| 91 | H | 27.8 | Very low | 26.6 | Very low | 158 Ų | 158 | 146 Ų | 146 | 73% | 0.731 | 76% | 0.761 | S | S | * | * | | | cis | -158.6 | 131.7 | 23.1 | -133.5 | -36.8 | 0 | 0 | 0 | 112.1 | | |
| 92 | Q | 27.7 | Very low | 26.5 | Very low | 152 Ų | 152 | 147.5 Ų | 147.5 | 71% | 0.71 | 76% | 0.76 | S | S | * | * | | | | 167.8 | 120.9 | 110.7 | -84 | -154.2 | 42.8 | 0 | 0 | 115.4 | | |
| 93 | K | 26.6 | Very low | 26.7 | Very low | 169 Ų | 169 | 146 Ų | 146 | 74% | 0.735 | 76% | 0.756 | S | S | * | * | | | trans | 62.3 | 116.6 | 138.9 | -68.3 | 178.9 | -179 | 162.7 | 0 | 123.8 | | |
| 94 | K | 26.5 | Very low | 26.6 | Very low | 186 Ų | 186 | 147.4 Ų | 147.4 | 81% | 0.809 | 76% | 0.755 | S | S | * | * | | | trans | 82.9 | 99.8 | 131.1 | -76.4 | -163.3 | 168.3 | -167.6 | 0 | 121.9 | | |
| 95 | T | 26.2 | Very low | 26.5 | Very low | 115 Ų | 115 | 143.8 Ų | 143.8 | 71% | 0.706 | 75% | 0.748 | S | S | * | * | | | | 17.8 | 134.6 | 107.8 | 62.9 | 0 | 0 | 0 | 0 | 117.6 | | |
| 96 | T | 28 | Very low | 26.4 | Very low | 138 Ų | 138 | 144.6 Ų | 144.6 | 85% | 0.847 | 75% | 0.753 | S | S | * | * | | | | -157.1 | 170.4 | 56.5 | 34.6 | 0 | 0 | 0 | 0 | 114 | | |
| 97 | P | 33.9 | Very low | 26.3 | Very low | 112 Ų | 112 | 141.9 Ų | 141.9 | 73% | 0.727 | 75% | 0.751 | S | S | * | * | | | trans | -114.5 | 165.8 | -170.3 | 41.6 | -32.9 | 0 | 0 | 0 | 116.4 | | |
| 98 | T | 25.2 | Very low | 26.3 | Very low | 125 Ų | 125 | 140.6 Ų | 140.6 | 77% | 0.767 | 75% | 0.75 | S | S | * | * | | | trans | -167.5 | 144.1 | 143.3 | 6.5 | 0 | 0 | 0 | 0 | 113.5 | | |
| 99 | N | 25.3 | Very low | 26.2 | Very low | 157 Ų | 157 | 141.6 Ų | 141.6 | 84% | 0.84 | 74% | 0.739 | S | S | * | * | | | trans | 46.8 | 126.8 | 149.9 | -57.2 | -5.9 | 0 | 0 | 0 | 123.3 | | |
| 100 | G | 26 | Very low | 26.1 | Very low | 69 Ų | 69 | 137.1 Ų | 137.1 | 71% | 0.711 | 72% | 0.722 | S | S | * | * | | | | 126.9 | 107.5 | 122.7 | 0 | 0 | 0 | 0 | 0 | 119.3 | | |
| 101 | L | 27.6 | Very low | 25.9 | Very low | 163 Ų | 163 | 133.6 Ų | 133.6 | 85% | 0.853 | 72% | 0.716 | S | S | * | * | | | trans | 63.6 | 152.7 | 152.5 | -52.7 | 169.7 | 0 | 0 | 0 | 116.6 | | |
| 102 | E | 25.2 | Very low | 25.8 | Very low | 151 Ų | 151 | 132.3 Ų | 132.3 | 71% | 0.706 | 72% | 0.715 | S | S | * | * | | | cis | -153.1 | 151.9 | -7.9 | -130.6 | 171.6 | 157.4 | 0 | 0 | 110 | | |
| 103 | T | 27.1 | Very low | 25.7 | Very low | 115 Ų | 115 | 131.7 Ų | 131.7 | 71% | 0.706 | 72% | 0.716 | S | S | * | * | | | trans | 30.8 | 149.2 | 152.1 | 54.6 | 0 | 0 | 0 | 0 | 123.7 | | |
| 104 | D | 23.1 | Very low | 25.5 | Very low | 133 Ų | 133 | 131.9 Ų | 131.9 | 71% | 0.711 | 72% | 0.719 | S | S | * | * | | | cis | -171.5 | 165.9 | -32.6 | -126.5 | -33.6 | 0 | 0 | 0 | 111.8 | | |
| 105 | I | 25.4 | Very low | 25.4 | Very low | 128 Ų | 128 | 130.9 Ų | 130.9 | 66% | 0.656 | 72% | 0.721 | S | S | * | * | | | trans | 45.1 | 100.8 | 148.5 | -63.6 | 157.4 | 0 | 0 | 0 | 119.7 | | |
| 106 | N | 22.9 | Very low | 25.3 | Very low | 147 Ų | 147 | 132.4 Ų | 132.4 | 79% | 0.786 | 72% | 0.723 | S | S | * | * | | | | 57 | 146.1 | 126.3 | -66.9 | -37 | 0 | 0 | 0 | 125.3 | | |
| 107 | M | 22.1 | Very low | 25.1 | Very low | 165 Ų | 165 | 133.3 Ų | 133.3 | 81% | 0.813 | 72% | 0.723 | S | S | * | * | | | trans | 81.1 | 109.7 | 145.1 | -81.7 | -167.8 | 177.4 | 0 | 0 | 123.3 | | |
| 108 | T | 22.8 | Very low | 24.6 | Very low | 105 Ų | 105 | 133 Ų | 133 | 64% | 0.644 | 72% | 0.724 | S | S | * | * | | | trans | 87.6 | 121.8 | 130.8 | 61.2 | 0 | 0 | 0 | 0 | 123.2 | | |
| 109 | R | 24 | Very low | 24.6 | Very low | 116 Ų | 116 | 134.5 Ų | 134.5 | 44% | 0.438 | 72% | 0.722 | S | S | . | * | | | trans | 63.1 | 90 | 139.6 | -82 | 145.9 | 116.3 | -164 | 17.7 | 119.4 | S287 I288 | R109-S287 VanDerWaalsContact CD-CB 3.43Å; R109-S287 WeakPolarHBondContact CD-OG 3.43Å; R109-S287 PolarHBondContact NH1-OG 2.95Å; R109-S287 PolarHBondContact NH2-O 3.2Å; R109-I288 PolarHBondContact NE-O 3.43Å; R109-I288 VanDerWaalsContact NH2-C 3.26Å; R109-I288 PolarHBondContact NH2-O 3.14Å |
| 110 | T | 25.7 | Very low | 24.5 | Very low | 86 Ų | 86 | 136.4 Ų | 136.4 | 53% | 0.528 | 72% | 0.719 | S | S | . | * | | | | 51.4 | 133.5 | 111.3 | 53.8 | 0 | 0 | 0 | 0 | 120.1 | I288 | T110-I288 VanDerWaalsContact O-CD1 3.22Å; T110-I288 WeakPolarHBondContact O-CD1 3.31Å |
| 111 | N | 23.9 | Very low | 24.3 | Very low | 115 Ų | 115 | 139.9 Ų | 139.9 | 62% | 0.615 | 72% | 0.716 | S | S | * | * | | | trans | -101.3 | -171 | 136.9 | -62.1 | 16.8 | 0 | 0 | 0 | 106.4 | K286 | N111-K286 PolarHBondContact OD1-NZ 2.98Å; N111-K286 VanDerWaalsContact OD1-NZ 3.11Å |
| 112 | N | 27.3 | Very low | 24.2 | Very low | 131 Ų | 131 | 140.1 Ų | 140.1 | 70% | 0.701 | 71% | 0.711 | S | S | * | * | | | cis | -162.2 | 169 | 10.3 | -132.5 | 20.8 | 0 | 0 | 0 | 104.9 | | |
| 113 | L | 24.8 | Very low | 24.1 | Very low | 140 Ų | 140 | 138.2 Ų | 138.2 | 73% | 0.733 | 71% | 0.714 | S | S | * | * | | | cis | -158.1 | -173 | -9.9 | -140.9 | -178.5 | 0 | 0 | 0 | 106 | | |
| 114 | Q | 23.3 | Very low | 24 | Very low | 173 Ų | 173 | 139.6 Ų | 139.6 | 81% | 0.808 | 72% | 0.715 | S | S | * | * | | | trans | -81.6 | 155.9 | 160.1 | -72.1 | 172.9 | -75.4 | 0 | 0 | 112.2 | | |
| 115 | I | 23.5 | Very low | 24.1 | Very low | 164 Ų | 164 | 142.4 Ų | 142.4 | 84% | 0.841 | 72% | 0.724 | S | S | * | * | | | trans | -137 | 145.7 | 151.3 | -35.2 | 178.2 | 0 | 0 | 0 | 102.6 | | |
| 116 | I | 23.6 | Very low | 24.1 | Very low | 148 Ų | 148 | 144 Ų | 144 | 76% | 0.759 | 73% | 0.728 | S | S | * | * | | | cis | -138.1 | 153.3 | 35.4 | -61.6 | 152.2 | 0 | 0 | 0 | 111.2 | | |
| 117 | N | 23.5 | Very low | 24.1 | Very low | 156 Ų | 156 | 141.4 Ų | 141.4 | 83% | 0.834 | 72% | 0.718 | S | S | * | * | | | trans | -128.3 | 123.8 | 164.8 | -162.9 | 22.7 | 0 | 0 | 0 | 108.2 | | |
| 118 | S | 24.3 | Very low | 24.2 | Very low | 107 Ų | 107 | 138.5 Ų | 138.5 | 75% | 0.748 | 72% | 0.72 | S | S | * | * | | | trans | -160.5 | 149.6 | 164.4 | 50.3 | 0 | 0 | 0 | 0 | 110.7 | | |
| 119 | Q | 24.7 | Very low | 24.3 | Very low | 156 Ų | 156 | 140 Ų | 140 | 73% | 0.729 | 72% | 0.724 | S | S | * | * | | | trans | -110.6 | 144.8 | -169.3 | -58.4 | 159.4 | -41.1 | 0 | 0 | 110.1 | | |
| 120 | Y | 23.1 | Very low | 24.5 | Very low | 197 Ų | 197 | 139.6 Ų | 139.6 | 77% | 0.773 | 73% | 0.734 | S | S | * | * | | | | 174.3 | 141 | 100.2 | -110.5 | -85.2 | 0 | 0 | 0 | 113.8 | | |
| 121 | E | 22.3 | Very low | 24.6 | Very low | 141 Ų | 141 | 141.4 Ų | 141.4 | 66% | 0.659 | 75% | 0.747 | S | S | * | * | | | trans | 64.5 | 153.2 | 150.9 | -105.6 | -174.8 | -164 | 0 | 0 | 124.5 | | |
| 122 | K | 25.2 | Very low | 24.6 | Very low | 169 Ų | 169 | 143.4 Ų | 143.4 | 74% | 0.735 | 75% | 0.752 | S | S | * | * | | | trans | 65.1 | 69.6 | 154.6 | -72.4 | 165.4 | 178.9 | 137.9 | 0 | 119.6 | | |
| 123 | S | 22.8 | Very low | 24.5 | Very low | 111 Ų | 111 | 141.8 Ų | 141.8 | 78% | 0.776 | 76% | 0.757 | S | S | * | * | | | | 20.9 | 103.7 | 114.9 | 171.7 | 0 | 0 | 0 | 0 | 118.2 | | |
| 124 | I | 26.4 | Very low | 24.6 | Very low | 143 Ų | 143 | 142 Ų | 142 | 73% | 0.733 | 76% | 0.759 | S | S | * | * | | | trans | -136.5 | 111.5 | 131.9 | -61.8 | -174.2 | 0 | 0 | 0 | 107.9 | H126 | I124-H126 HydrophobicContact CG2-CB 4.14Å; I124-H126 PolarHBondContact O-N 2.69Å |
| 125 | H | 24.9 | Very low | 24.6 | Very low | 193 Ų | 193 | 136.7 Ų | 136.7 | 89% | 0.894 | 75% | 0.751 | S | S | * | * | | | trans | -82 | 93.2 | 165.3 | -94.6 | -76.3 | 0 | 0 | 0 | 109.1 | | |
| 126 | H | 24.4 | Very low | 24.7 | Very low | 160 Ų | 160 | 136 Ų | 136 | 74% | 0.741 | 75% | 0.748 | S | S | * | * | | | trans | -106.3 | 105.2 | 168.1 | -115.3 | -56.2 | 0 | 0 | 0 | 112 | I124 | I124-H126 HydrophobicContact CG2-CB 4.14Å; I124-H126 PolarHBondContact O-N 2.69Å |
| 127 | T | 24.3 | Very low | 24.5 | Very low | 94 Ų | 94 | 133.6 Ų | 133.6 | 58% | 0.577 | 74% | 0.744 | S | S | * | * | | | trans | 14.9 | 106.4 | 147.8 | -13.3 | 0 | 0 | 0 | 0 | 117.1 | L129 | T127-L129 HydrophobicContact CG2-CD2 4Å; T127-L129 HydrophobicContact CG2-CG 3.73Å; T127-L129 PolarHBondContact O-N 2.84Å |
| 128 | A | 23.8 | Very low | 24.5 | Very low | 103 Ų | 103 | 132.8 Ų | 132.8 | 85% | 0.851 | 74% | 0.738 | S | S | * | * | | | trans | -70.4 | 77.1 | 153.9 | 0 | 0 | 0 | 0 | 0 | 109 | T130 | A128-T130 PolarHBondContact O-N 3.47Š|
| 129 | L | 24.2 | Very low | 24.5 | Very low | 138 Ų | 138 | 132.9 Ų | 132.9 | 72% | 0.723 | 73% | 0.734 | S | S | * | * | | | trans | -67.4 | 102 | 171.6 | -81.6 | 170.3 | 0 | 0 | 0 | 109 | T127 | T127-L129 HydrophobicContact CG2-CD2 4Å; T127-L129 HydrophobicContact CG2-CG 3.73Å; T127-L129 PolarHBondContact O-N 2.84Å |
| 130 | T | 27.5 | Very low | 24.4 | Very low | 106 Ų | 106 | 133.2 Ų | 133.2 | 65% | 0.65 | 74% | 0.739 | S | S | * | * | | | trans | -52.6 | 128 | 153 | 41.4 | 0 | 0 | 0 | 0 | 108 | A128 H132 | A128-T130 PolarHBondContact O-N 3.47Å; T130-H132 PolarHBondContact O-N 3Å |
| 131 | P | 28.8 | Very low | 24.4 | Very low | 124 Ų | 124 | 126.4 Ų | 126.4 | 81% | 0.805 | 73% | 0.729 | S | S | * | * | | | trans | -62.9 | 114.6 | 170.4 | 26 | -31.8 | 0 | 0 | 0 | 107.3 | A133 | P131-A133 PolarHBondContact O-N 3.39Å; P131-A133 VanDerWaalsContact O-N 3.07Å |
| 132 | H | 23.9 | Very low | 24.5 | Very low | 158 Ų | 158 | 124 Ų | 124 | 73% | 0.731 | 73% | 0.733 | S | S | * | * | | | trans | -56.2 | 118.7 | 175.7 | -97.8 | -110.5 | 0 | 0 | 0 | 108.7 | T130 N134 | T130-H132 PolarHBondContact O-N 3Å; H132-N134 VanDerWaalsContact C-N 3.28Å; H132-N134 PolarHBondContact O-N 3.02Å |
| 133 | A | 26.2 | Very low | 24.5 | Very low | 97 Ų | 97 | 121.8 Ų | 121.8 | 80% | 0.802 | 73% | 0.734 | S | S | * | * | | | trans | -69.2 | 93 | 167.3 | 0 | 0 | 0 | 0 | 0 | 107.6 | P131 G135 | P131-A133 PolarHBondContact O-N 3.39Å; P131-A133 VanDerWaalsContact O-N 3.07Å; A133-G135 PolarHBondContact O-N 3.17Å |
| 134 | N | 25.4 | Very low | 24.6 | Very low | 143 Ų | 143 | 123.4 Ų | 123.4 | 77% | 0.765 | 73% | 0.734 | S | S | * | * | | | trans | -70.5 | 55.7 | 163.7 | -75 | 1.5 | 0 | 0 | 0 | 109.7 | H132 I136 | H132-N134 VanDerWaalsContact C-N 3.28Å; H132-N134 PolarHBondContact O-N 3.02Å; N134-I136 PolarHBondContact O-N 2.92Å; N134-I136 VanDerWaalsContact O-N 3.1Å |
| 135 | G | 24.7 | Very low | 24.5 | Very low | 63 Ų | 63 | 122.2 Ų | 122.2 | 65% | 0.649 | 74% | 0.738 | S | S | * | * | | | trans | -69.6 | 98.9 | 162.2 | 0 | 0 | 0 | 0 | 0 | 107.1 | A133 S137 | A133-G135 PolarHBondContact O-N 3.17Å; G135-S137 PolarHBondContact O-N 3.18Å |
| 136 | I | 24 | Very low | 24.7 | Very low | 150 Ų | 150 | 118.1 Ų | 118.1 | 77% | 0.769 | 74% | 0.738 | S | S | * | * | | | trans | -62.5 | 103.6 | 175.3 | -63.1 | 177.2 | 0 | 0 | 0 | 107.3 | N134 I138 | N134-I136 PolarHBondContact O-N 2.92Å; N134-I136 VanDerWaalsContact O-N 3.1Å; I136-I138 HydrophobicContact CG2-CG1 4.05Å; I136-I138 PolarHBondContact O-N 3.4Å; I136-I138 VanDerWaalsContact O-N 3.07Å |
| 137 | S | 21.2 | Very low | 24.7 | Very low | 97 Ų | 97 | 115.8 Ų | 115.8 | 68% | 0.678 | 74% | 0.739 | S | S | * | * | | | trans | -78.8 | 89.4 | -179.2 | -166.4 | 0 | 0 | 0 | 0 | 109.1 | G135 V139 | G135-S137 PolarHBondContact O-N 3.18Å; S137-V139 PolarHBondContact O-N 3.44Å; S137-V139 WeakPolarHBondContact OG-CG2 2.98Å |
| 138 | I | 23.4 | Very low | 25 | Very low | 139 Ų | 139 | 118.4 Ų | 118.4 | 71% | 0.713 | 75% | 0.75 | S | S | * | * | | | trans | -76.2 | 76.2 | 168.9 | -54.8 | -175.3 | 0 | 0 | 0 | 108.1 | I136 I140 | I136-I138 HydrophobicContact CG2-CG1 4.05Å; I136-I138 PolarHBondContact O-N 3.4Å; I136-I138 VanDerWaalsContact O-N 3.07Å; I138-I140 HydrophobicContact CG2-CD1 4.48Å; I138-I140 HydrophobicContact CG2-CG1 4.06Å; I138-I140 PolarHBondContact O-N 3.38Å |
| 139 | V | 22.9 | Very low | 25.2 | Very low | 109 Ų | 109 | 121.7 Ų | 121.7 | 66% | 0.661 | 75% | 0.747 | S | S | * | * | | | trans | -79 | 96.8 | 166.3 | 167.4 | 0 | 0 | 0 | 0 | 107.4 | S137 G141 | S137-V139 PolarHBondContact O-N 3.44Å; S137-V139 WeakPolarHBondContact OG-CG2 2.98Å; V139-G141 PolarHBondContact O-N 2.98Å |
| 140 | I | 23.3 | Very low | 25.4 | Very low | 163 Ų | 163 | 121.2 Ų | 121.2 | 84% | 0.836 | 75% | 0.75 | S | S | * | * | | | trans | -80.9 | 65.4 | 156.5 | -53 | -177.5 | 0 | 0 | 0 | 107.1 | I138 | I138-I140 HydrophobicContact CG2-CD1 4.48Å; I138-I140 HydrophobicContact CG2-CG1 4.06Å; I138-I140 PolarHBondContact O-N 3.38Å |
| 141 | G | 23.1 | Very low | 26 | Very low | 54 Ų | 54 | 121.1 Ų | 121.1 | 56% | 0.557 | 75% | 0.752 | S | S | * | * | | | trans | -99.6 | 89.6 | 170 | 0 | 0 | 0 | 0 | 0 | 108.1 | V139 | V139-G141 PolarHBondContact O-N 2.98Š|
| 142 | A | 24.6 | Very low | 25.9 | Very low | 91 Ų | 91 | 120.9 Ų | 120.9 | 75% | 0.752 | 74% | 0.744 | S | S | * | * | | | trans | -69.4 | 133.7 | 169.3 | 0 | 0 | 0 | 0 | 0 | 109.4 | | |
| 143 | T | 24.1 | Very low | 26.2 | Very low | 122 Ų | 122 | 122 Ų | 122 | 75% | 0.748 | 74% | 0.742 | S | S | * | * | | | trans | -163.4 | 128.5 | 148.5 | 5.5 | 0 | 0 | 0 | 0 | 112.4 | | |
| 144 | N | 25.3 | Very low | 26.2 | Very low | 144 Ų | 144 | 125.1 Ų | 125.1 | 77% | 0.77 | 74% | 0.737 | S | S | * | * | | | trans | 81.5 | 137.2 | 144.9 | -59.3 | -14.5 | 0 | 0 | 0 | 123 | | |
| 145 | S | 25.1 | Very low | 26.2 | Very low | 119 Ų | 119 | 125.1 Ų | 125.1 | 83% | 0.832 | 74% | 0.736 | S | S | * | * | | | trans | 70.3 | 69.1 | 151.9 | 52.5 | 0 | 0 | 0 | 0 | 119.8 | | |
| 146 | A | 29.1 | Very low | 26.3 | Very low | 107 Ų | 107 | 127.6 Ų | 127.6 | 88% | 0.884 | 73% | 0.734 | S | S | * | * | | | trans | -157 | 51.6 | 141.6 | 0 | 0 | 0 | 0 | 0 | 111.9 | | |
| 147 | S | 24.8 | Very low | 26.6 | Very low | 110 Ų | 110 | 130.9 Ų | 130.9 | 77% | 0.769 | 74% | 0.737 | S | S | * | * | | | trans | -81.7 | 116.6 | 170.8 | 53.4 | 0 | 0 | 0 | 0 | 110.4 | | |
| 148 | N | 29.5 | Very low | 26.8 | Very low | 150 Ų | 150 | 131.3 Ų | 131.3 | 80% | 0.802 | 73% | 0.731 | S | S | * | * | | | trans | -151.7 | 125.2 | 153.2 | -101.9 | 2.6 | 0 | 0 | 0 | 110 | | |
| 149 | E | 27.7 | Very low | 27.1 | Very low | 171 Ų | 171 | 131.6 Ų | 131.6 | 80% | 0.799 | 73% | 0.734 | S | S | * | * | | | trans | 65.8 | 73.1 | 145.5 | -55.5 | -176.2 | 150.8 | 0 | 0 | 120 | | |
| 150 | T | 28.8 | Very low | 27.2 | Very low | 128 Ų | 128 | 131.7 Ų | 131.7 | 79% | 0.785 | 74% | 0.74 | S | S | * | * | | | | -10 | 167 | 120.1 | 53.4 | 0 | 0 | 0 | 0 | 119.6 | | |
| 151 | P | 40.2 | Very low | 27.6 | Very low | 104 Ų | 104 | 128.3 Ų | 128.3 | 68% | 0.675 | 73% | 0.731 | S | S | * | * | | | cis | -148.1 | -145.7 | -37.5 | 43.8 | -23.2 | 0 | 0 | 0 | 112.8 | | |
| 152 | D | 27.6 | Very low | 28 | Very low | 120 Ų | 120 | 132.1 Ų | 132.1 | 64% | 0.642 | 74% | 0.739 | S | S | * | * | | | trans | 76.9 | 143.5 | 151.9 | -93.1 | 20.5 | 0 | 0 | 0 | 120 | | |
| 153 | R | 28.7 | Very low | 28.2 | Very low | 181 Ų | 181 | 134.5 Ų | 134.5 | 68% | 0.683 | 74% | 0.738 | S | S | * | * | | | cis | -174 | 166 | -17.5 | -137.8 | -174.3 | -178.2 | 146.8 | -9 | 112.7 | | |
| 154 | K | 27.2 | Very low | 28.3 | Very low | 162 Ų | 162 | 135.5 Ų | 135.5 | 70% | 0.704 | 74% | 0.738 | S | S | * | * | | | trans | 65.4 | 162.6 | 155.3 | -69 | 170.8 | 172.7 | 176.9 | 0 | 116.4 | | |
| 155 | L | 25.7 | Very low | 28.2 | Very low | 143 Ų | 143 | 133.8 Ų | 133.8 | 75% | 0.749 | 74% | 0.738 | S | S | * | * | | | cis | -163.2 | -175.4 | -23.8 | -102 | 171.1 | 0 | 0 | 0 | 106.1 | | |
| 156 | L | 25.4 | Very low | 28.2 | Very low | 116 Ų | 116 | 134.6 Ų | 134.6 | 61% | 0.607 | 74% | 0.737 | S | S | * | * | | | cis | -157.6 | 142.8 | 8.9 | -143.6 | -177.2 | 0 | 0 | 0 | 108.9 | | |
| 157 | R | 30.4 | Very low | 28 | Very low | 218 Ų | 218 | 134.6 Ų | 134.6 | 82% | 0.823 | 73% | 0.731 | S | S | * | * | | | trans | 168.6 | 126.5 | 142.4 | -90.1 | 161.9 | -156.8 | -71.5 | 3.5 | 108.8 | | |
| 158 | D | 26.4 | Very low | 28.6 | Very low | 106 Ų | 106 | 134.8 Ų | 134.8 | 57% | 0.567 | 73% | 0.73 | S | S | * | * | | | | 72.3 | 130.4 | 65.1 | -50.5 | -31.6 | 0 | 0 | 0 | 110.5 | | |
| 159 | D | 28.5 | Very low | 28.4 | Very low | 145 Ų | 145 | 136.7 Ų | 136.7 | 78% | 0.775 | 74% | 0.739 | S | S | * | * | | | cis | -145.8 | 155.6 | 27.1 | -89.2 | -63.3 | 0 | 0 | 0 | 115.3 | | |
| 160 | S | 26.7 | Very low | 28.3 | Very low | 111 Ų | 111 | 132.3 Ų | 132.3 | 78% | 0.776 | 74% | 0.739 | S | S | * | * | | | trans | 47.4 | 141 | 147.5 | 81.7 | 0 | 0 | 0 | 0 | 121.4 | | |
| 161 | S | 31.5 | Very low | 28.2 | Very low | 93 Ų | 93 | 137.6 Ų | 137.6 | 65% | 0.65 | 75% | 0.745 | S | S | * | * | | | cis | -172.5 | 164.3 | 42.2 | 49.6 | 0 | 0 | 0 | 0 | 113.5 | | |
| 162 | N | 30.3 | Very low | 27.5 | Very low | 134 Ų | 134 | 141 Ų | 141 | 72% | 0.717 | 76% | 0.755 | S | S | * | * | | | trans | 68.1 | 103.4 | 160.9 | -59.8 | -24.2 | 0 | 0 | 0 | 119.2 | | |
| 163 | L | 29.9 | Very low | 27.4 | Very low | 141 Ų | 141 | 138.5 Ų | 138.5 | 74% | 0.738 | 76% | 0.759 | S | S | * | * | | | | 75.7 | 100.8 | 92.1 | -72.2 | 168 | 0 | 0 | 0 | 113.4 | | |
| 164 | N | 26.1 | Very low | 27.4 | Very low | 142 Ų | 142 | 138.8 Ų | 138.8 | 76% | 0.759 | 77% | 0.768 | S | S | * | * | | | | 99.4 | 109.4 | 61.4 | -89.2 | -1.9 | 0 | 0 | 0 | 114.1 | | |
| 165 | S | 22.9 | Very low | 27.6 | Very low | 108 Ų | 108 | 136.6 Ų | 136.6 | 76% | 0.755 | 77% | 0.77 | S | S | * | * | | | trans | 49.1 | 124.3 | 144.8 | 63.2 | 0 | 0 | 0 | 0 | 121.8 | | |
| 166 | V | 25.9 | Very low | 27.6 | Very low | 136 Ų | 136 | 132.9 Ų | 132.9 | 82% | 0.824 | 77% | 0.766 | S | S | * | * | | | | -176.9 | 156.5 | 109.8 | 146.4 | 0 | 0 | 0 | 0 | 109.9 | | |
| 167 | S | 24.5 | Very low | 27.7 | Very low | 108 Ų | 108 | 135 Ų | 135 | 76% | 0.755 | 78% | 0.777 | S | S | * | * | | | trans | -136.7 | 169.3 | 176.7 | -50.7 | 0 | 0 | 0 | 0 | 110 | | |
| 168 | P | 37.8 | Very low | 27.6 | Very low | 113 Ų | 113 | 136.1 Ų | 136.1 | 73% | 0.734 | 78% | 0.783 | S | S | * | * | | | | -132.1 | 143.7 | -53.1 | 35.9 | -22.4 | 0 | 0 | 0 | 112.1 | | |
| 169 | L | 23.5 | Very low | 27.6 | Very low | 191 Ų | 191 | 137.9 Ų | 137.9 | 100% | 1 | 79% | 0.793 | S | S | * | * | | | trans | -164.8 | 147.3 | 160.7 | -138.6 | 70.8 | 0 | 0 | 0 | 112.5 | | |
| 170 | G | 27 | Very low | 27.7 | Very low | 78 Ų | 78 | 138.2 Ų | 138.2 | 80% | 0.804 | 79% | 0.794 | S | S | * | * | | | trans | 136.6 | 118.6 | 170.3 | 0 | 0 | 0 | 0 | 0 | 114.2 | | |
| 171 | R | 26 | Very low | 27.6 | Very low | 239 Ų | 239 | 136.7 Ų | 136.7 | 90% | 0.902 | 80% | 0.795 | S | S | * | * | | | trans | -87 | 151.1 | 166.7 | -63.3 | 177.4 | 177 | -179.9 | -1.5 | 109.6 | | |
| 172 | I | 25.7 | Very low | 27.5 | Very low | 175 Ų | 175 | 138.4 Ų | 138.4 | 90% | 0.897 | 80% | 0.796 | S | S | * | * | | | trans | 176 | 139.8 | 131.3 | -93.4 | 152.3 | 0 | 0 | 0 | 110.4 | | |
| 173 | G | 26.3 | Very low | 27.3 | Very low | 69 Ų | 69 | 138 Ų | 138 | 71% | 0.711 | 80% | 0.801 | S | S | * | * | | | trans | 85.6 | 93.7 | 150.1 | 0 | 0 | 0 | 0 | 0 | 119.4 | | |
| 174 | E | 28.3 | Very low | 27.2 | Very low | 187 Ų | 187 | 136.5 Ų | 136.5 | 87% | 0.874 | 80% | 0.797 | S | S | * | * | | | trans | -141.9 | 109.3 | 165.1 | -101.1 | -71 | 160.5 | 0 | 0 | 109 | | |
| 175 | P | 31 | Very low | 27.1 | Very low | 116 Ų | 116 | 137.7 Ų | 137.7 | 75% | 0.753 | 80% | 0.803 | S | S | * | * | | | trans | -114.3 | 101.1 | -177 | 36.7 | -26 | 0 | 0 | 0 | 114.6 | | |
| 176 | G | 24.9 | Very low | 27.2 | Very low | 64 Ų | 64 | 138 Ų | 138 | 66% | 0.66 | 81% | 0.805 | S | S | * | * | | | trans | 77.5 | 114 | 138.6 | 0 | 0 | 0 | 0 | 0 | 120 | | |
| 177 | L | 27.6 | Very low | 27.1 | Very low | 162 Ų | 162 | 136.6 Ų | 136.6 | 85% | 0.848 | 80% | 0.802 | S | S | * | * | | | trans | -156 | 80.5 | 149.9 | -120.8 | 173 | 0 | 0 | 0 | 112.8 | | |
| 178 | Y | 28.2 | Very low | 27.1 | Very low | 241 Ų | 241 | 137.1 Ų | 137.1 | 95% | 0.945 | 81% | 0.806 | S | S | * | * | | | trans | -137.4 | 97.7 | 167.3 | -73 | -68.4 | 0 | 0 | 0 | 111.1 | | |
| 179 | D | 26.6 | Very low | 26.5 | Very low | 143 Ų | 143 | 138.1 Ų | 138.1 | 77% | 0.765 | 81% | 0.809 | S | S | * | * | | | trans | -135 | 85.8 | 156.4 | -175 | 11.6 | 0 | 0 | 0 | 110.1 | | |
| 180 | L | 30.7 | Very low | 26.5 | Very low | 152 Ų | 152 | 134.1 Ų | 134.1 | 80% | 0.796 | 80% | 0.797 | S | S | * | * | | | trans | -132.6 | 96.4 | 160.9 | -74.4 | 177.9 | 0 | 0 | 0 | 106.9 | I182 | L180-I182 VanDerWaalsContact C-N 3.27Å; L180-I182 PolarHBondContact O-N 3.14Å |
| 181 | G | 25.1 | Very low | 26.3 | Very low | 79 Ų | 79 | 138.6 Ų | 138.6 | 81% | 0.814 | 80% | 0.802 | S | S | * | * | | | trans | -62.5 | 78.6 | -178.1 | 0 | 0 | 0 | 0 | 0 | 114.5 | | |
| 182 | I | 29.3 | Very low | 26.2 | Very low | 128 Ų | 128 | 132.7 Ų | 132.7 | 66% | 0.656 | 80% | 0.797 | S | S | * | * | | | trans | -119.6 | 114 | 164.1 | -57.4 | 176.4 | 0 | 0 | 0 | 106 | L180 V184 | L180-I182 VanDerWaalsContact C-N 3.27Å; L180-I182 PolarHBondContact O-N 3.14Å; I182-V184 HydrophobicContact CG2-CG2 4.05Å; I182-V184 PolarHBondContact O-N 3.45Å; I182-V184 VanDerWaalsContact O-N 3.08Å |
| 183 | P | 25.6 | Very low | 26.1 | Very low | 127 Ų | 127 | 131.2 Ų | 131.2 | 83% | 0.825 | 80% | 0.797 | S | S | * | * | | | trans | -69.4 | 106.8 | 171.1 | 28.4 | -31.6 | 0 | 0 | 0 | 108.9 | | |
| 184 | V | 27.5 | Very low | 26.1 | Very low | 109 Ų | 109 | 133.7 Ų | 133.7 | 66% | 0.661 | 80% | 0.803 | S | S | * | * | | | trans | -99 | 106.2 | 169.5 | 179.9 | 0 | 0 | 0 | 0 | 107.6 | I182 S186 | I182-V184 HydrophobicContact CG2-CG2 4.05Å; I182-V184 PolarHBondContact O-N 3.45Å; I182-V184 VanDerWaalsContact O-N 3.08Å; V184-S186 PolarHBondContact O-N 2.85Å; V184-S186 PolarHBondContact O-OG 2.89Å |
| 185 | D | 24.8 | Very low | 25.9 | Very low | 166 Ų | 166 | 133.4 Ų | 133.4 | 89% | 0.888 | 80% | 0.801 | S | S | * | * | | | trans | -57.4 | 108.1 | 174.1 | -76.7 | -32.4 | 0 | 0 | 0 | 109.7 | | |
| 186 | S | 25.5 | Very low | 25.9 | Very low | 114 Ų | 114 | 134 Ų | 134 | 80% | 0.797 | 80% | 0.803 | S | S | * | * | | | trans | -115 | 103.6 | -168.7 | 21.6 | 0 | 0 | 0 | 0 | 110.2 | V184 | V184-S186 PolarHBondContact O-N 2.85Å; V184-S186 PolarHBondContact O-OG 2.89Å |
| 187 | S | 24.4 | Very low | 25.9 | Very low | 107 Ų | 107 | 137.2 Ų | 137.2 | 75% | 0.748 | 81% | 0.805 | S | S | * | * | | | trans | -146.4 | 134.8 | 167.6 | 60.9 | 0 | 0 | 0 | 0 | 110.2 | | |
| 188 | S | 23.9 | Very low | 25.8 | Very low | 120 Ų | 120 | 136.4 Ų | 136.4 | 84% | 0.839 | 80% | 0.802 | S | S | * | * | | | trans | 59.3 | 134.6 | -156.5 | 72.3 | 0 | 0 | 0 | 0 | 112.9 | | |
| 189 | V | 25.6 | Very low | 25.9 | Very low | 133 Ų | 133 | 129.9 Ų | 129.9 | 81% | 0.806 | 79% | 0.792 | S | S | * | * | | | cis | -125.4 | 141 | 29.6 | 173.4 | 0 | 0 | 0 | 0 | 112.1 | | |
| 190 | S | 23.2 | Very low | 25.8 | Very low | 107 Ų | 107 | 128 Ų | 128 | 75% | 0.748 | 79% | 0.79 | S | S | * | * | | | trans | -94.3 | 129.2 | 164.5 | 54.2 | 0 | 0 | 0 | 0 | 110.4 | | |
| 191 | L | 22.9 | Very low | 25.5 | Very low | 172 Ų | 172 | 127.7 Ų | 127.7 | 90% | 0.901 | 79% | 0.788 | S | S | * | * | | | trans | -75.6 | 134.7 | 171.7 | -76.5 | 163.5 | 0 | 0 | 0 | 111.2 | | |
| 192 | S | 24.1 | Very low | 25.4 | Very low | 116 Ų | 116 | 129.8 Ų | 129.8 | 81% | 0.811 | 78% | 0.78 | S | S | * | * | | | trans | -127.4 | 140.8 | 160.2 | 56.7 | 0 | 0 | 0 | 0 | 109.7 | | |
| 193 | T | 22.7 | Very low | 25.1 | Very low | 144 Ų | 144 | 132.6 Ų | 132.6 | 88% | 0.883 | 79% | 0.788 | S | S | * | * | | | trans | -101.6 | 129.3 | -173 | 49.9 | 0 | 0 | 0 | 0 | 111.5 | | |
| 194 | S | 26.8 | Very low | 25 | Very low | 120 Ų | 120 | 132.6 Ų | 132.6 | 84% | 0.839 | 79% | 0.791 | S | S | * | * | | | trans | -149.4 | 140 | 158.5 | 56 | 0 | 0 | 0 | 0 | 110.3 | | |
| 195 | Q | 24.1 | Very low | 24.8 | Very low | 181 Ų | 181 | 131.5 Ų | 131.5 | 85% | 0.846 | 79% | 0.794 | S | S | * | * | | | trans | -90.8 | 147.8 | 175.5 | -62.8 | 153.3 | -91.5 | 0 | 0 | 109.6 | | |
| 196 | T | 29.6 | Very low | 24.7 | Very low | 129 Ų | 129 | 131.5 Ų | 131.5 | 79% | 0.791 | 79% | 0.793 | S | S | * | * | | | trans | 178.6 | 112 | 130.4 | 23.4 | 0 | 0 | 0 | 0 | 112.2 | | |
| 197 | D | 26.4 | Very low | 25 | Very low | 131 Ų | 131 | 131.2 Ų | 131.2 | 70% | 0.701 | 79% | 0.788 | S | S | * | * | | | | 48.9 | 109.9 | 125.7 | -53 | -6.4 | 0 | 0 | 0 | 122.5 | | |
| 198 | N | 25.6 | Very low | 25 | Very low | 145 Ų | 145 | 131 Ų | 131 | 78% | 0.775 | 79% | 0.785 | S | S | * | * | | | | 77.2 | 150.2 | 127 | -62.3 | -32.3 | 0 | 0 | 0 | 124 | | |
| 199 | S | 30.2 | Very low | 25 | Very low | 105 Ų | 105 | 132.9 Ų | 132.9 | 73% | 0.734 | 79% | 0.785 | S | S | * | * | | | trans | 74.6 | 79.3 | 159.5 | 56.1 | 0 | 0 | 0 | 0 | 121.9 | | |
| 200 | S | 23.8 | Very low | 25 | Very low | 103 Ų | 103 | 131.3 Ų | 131.3 | 72% | 0.72 | 78% | 0.78 | S | S | * | * | | | | 45.2 | 128.2 | 113.5 | 66.5 | 0 | 0 | 0 | 0 | 123.4 | | |
| 201 | L | 24.6 | Very low | 25.3 | Very low | 145 Ų | 145 | 133.5 Ų | 133.5 | 76% | 0.759 | 78% | 0.782 | S | S | * | * | | | trans | 94.1 | 103.4 | 144.6 | -64.9 | 162.5 | 0 | 0 | 0 | 122.1 | | |
| 202 | N | 23.2 | Very low | 25.5 | Very low | 123 Ų | 123 | 130.9 Ų | 130.9 | 66% | 0.658 | 77% | 0.773 | S | S | * | * | | | | 82.8 | 120.2 | 120.5 | -73.5 | 7.1 | 0 | 0 | 0 | 125 | | |
| 203 | F | 22 | Very low | 25.9 | Very low | 187 Ų | 187 | 131.1 Ų | 131.1 | 82% | 0.82 | 77% | 0.77 | S | S | * | * | | | trans | 51.3 | 113.3 | 139.5 | -64.1 | -66.2 | 0 | 0 | 0 | 122.5 | | |
| 204 | S | 24.8 | Very low | 26.2 | Very low | 127 Ų | 127 | 134.1 Ų | 134.1 | 89% | 0.888 | 77% | 0.771 | S | S | * | * | | | | -177 | 176.7 | 110.8 | 44.2 | 0 | 0 | 0 | 0 | 110.2 | | |
| 205 | A | 22.8 | Very low | 26.2 | Very low | 86 Ų | 86 | 133.9 Ų | 133.9 | 71% | 0.711 | 77% | 0.767 | S | S | * | * | | | trans | -147 | 143.9 | -168.2 | 0 | 0 | 0 | 0 | 0 | 115.5 | | |
| 206 | L | 23.6 | Very low | 26.2 | Very low | 166 Ų | 166 | 133.1 Ų | 133.1 | 87% | 0.869 | 77% | 0.766 | S | S | * | * | | | trans | 68.3 | 167.5 | 159.3 | -65.6 | 166.4 | 0 | 0 | 0 | 115.9 | | |
| 207 | P | 31.8 | Very low | 26 | Very low | 109 Ų | 109 | 132.9 Ų | 132.9 | 71% | 0.708 | 76% | 0.764 | S | S | * | * | | | cis | -138.4 | -172.9 | 10.3 | 44.5 | -27.2 | 0 | 0 | 0 | 117.8 | | |
| 208 | C | 23.7 | Very low | 25.8 | Very low | 101 Ų | 101 | 137.3 Ų | 137.3 | 68% | 0.682 | 77% | 0.771 | S | S | * | * | | | trans | 91.4 | 112 | 145.4 | -76.4 | 0 | 0 | 0 | 0 | 123.2 | | |
| 209 | L | 24.4 | Very low | 25.8 | Very low | 160 Ų | 160 | 135.7 Ų | 135.7 | 84% | 0.838 | 77% | 0.77 | S | S | * | * | | | | 63.3 | 130.5 | 128.7 | -60.1 | 169.3 | 0 | 0 | 0 | 118.9 | | |
| 210 | S | 24.9 | Very low | 25.7 | Very low | 100 Ų | 100 | 136 Ų | 136 | 70% | 0.699 | 77% | 0.77 | S | S | * | * | | | cis | -158.8 | -156.3 | 8.8 | 49 | 0 | 0 | 0 | 0 | 109 | | |
| 211 | I | 30.4 | Very low | 25.7 | Very low | 154 Ų | 154 | 137.2 Ų | 137.2 | 79% | 0.79 | 77% | 0.773 | S | S | * | * | | | cis | -153 | -127.4 | 17.6 | -161.1 | 162.4 | 0 | 0 | 0 | 112.6 | | |
| 212 | T | 26.7 | Very low | 25.8 | Very low | 116 Ų | 116 | 135.6 Ų | 135.6 | 71% | 0.712 | 77% | 0.774 | S | S | * | * | | | trans | -105.1 | 161.6 | -172.2 | 57 | 0 | 0 | 0 | 0 | 112.7 | | |
| 213 | T | 31.5 | Very low | 25.8 | Very low | 122 Ų | 122 | 136.5 Ų | 136.5 | 75% | 0.748 | 78% | 0.778 | S | S | * | * | | | cis | -142.4 | 132.7 | 14.9 | 47.4 | 0 | 0 | 0 | 0 | 113.4 | | |
| 214 | K | 28.5 | Very low | 26.1 | Very low | 206 Ų | 206 | 133.3 Ų | 133.3 | 90% | 0.896 | 78% | 0.779 | S | S | * | * | | | trans | 57 | 147.2 | 158.3 | -68.4 | -174.7 | 178.3 | 179.7 | 0 | 118.7 | | |
| 215 | P | 28.2 | Very low | 26.1 | Very low | 116 Ų | 116 | 134.7 Ų | 134.7 | 75% | 0.753 | 77% | 0.771 | S | S | * | * | | | trans | -99.5 | 124.4 | -146.2 | 35 | -32.8 | 0 | 0 | 0 | 115.8 | V217 | P215-V217 HydrophobicContact CB-CG2 4.26Š|
| 216 | I | 22.8 | Very low | 26.1 | Very low | 164 Ų | 164 | 136.3 Ų | 136.3 | 84% | 0.841 | 78% | 0.777 | S | S | * | * | | | trans | -91.3 | 122.1 | 138.1 | -63 | 170.9 | 0 | 0 | 0 | 106.2 | | |
| 217 | V | 26.3 | Very low | 26.1 | Very low | 124 Ų | 124 | 135 Ų | 135 | 75% | 0.752 | 77% | 0.77 | S | S | * | * | | | trans | -137.1 | 113.7 | 164 | -178.6 | 0 | 0 | 0 | 0 | 109.5 | P215 | P215-V217 HydrophobicContact CB-CG2 4.26Š|
| 218 | R | 22.3 | Very low | 25.6 | Very low | 224 Ų | 224 | 135.2 Ų | 135.2 | 85% | 0.845 | 77% | 0.774 | S | S | * | * | | | trans | -92.4 | 131.5 | 159.3 | -93.1 | 179.4 | 164.8 | 147.4 | -7.4 | 108.2 | | |
| 219 | C | 24.7 | Very low | 25.6 | Very low | 111 Ų | 111 | 136.9 Ų | 136.9 | 75% | 0.75 | 78% | 0.775 | S | S | * | * | | | trans | 65.8 | 176.8 | 145.8 | -59.4 | 0 | 0 | 0 | 0 | 115.3 | | |
| 220 | P | 29.5 | Very low | 25.5 | Very low | 113 Ų | 113 | 134.1 Ų | 134.1 | 73% | 0.734 | 77% | 0.768 | S | S | * | * | | | cis | -131.6 | 175.6 | 6 | 42.8 | -26.2 | 0 | 0 | 0 | 117.2 | | |
| 221 | V | 22.9 | Very low | 25.7 | Very low | 128 Ų | 128 | 134.9 Ų | 134.9 | 78% | 0.776 | 77% | 0.768 | S | S | * | * | | | trans | 21.6 | 122.6 | 145.8 | -178.5 | 0 | 0 | 0 | 0 | 118.8 | | |
| 222 | S | 26.5 | Very low | 25.4 | Very low | 111 Ų | 111 | 135.2 Ų | 135.2 | 78% | 0.776 | 77% | 0.772 | S | S | * | * | | | trans | -147.1 | 129.6 | 136.5 | 55.3 | 0 | 0 | 0 | 0 | 110.5 | | |
| 223 | N | 23.7 | Very low | 25.5 | Very low | 142 Ų | 142 | 132.5 Ų | 132.5 | 76% | 0.759 | 77% | 0.767 | S | S | * | * | | | trans | -75.9 | 129.1 | 170.9 | -67 | -14.5 | 0 | 0 | 0 | 108.8 | | |
| 224 | S | 28 | Very low | 25.2 | Very low | 119 Ų | 119 | 135.1 Ų | 135.1 | 83% | 0.832 | 78% | 0.776 | S | S | * | * | | | trans | -110.9 | 88.6 | 168.2 | 42.9 | 0 | 0 | 0 | 0 | 110.4 | | |
| 225 | H | 24.7 | Very low | 25.2 | Very low | 157 Ų | 157 | 130 Ų | 130 | 73% | 0.727 | 77% | 0.773 | S | S | * | * | | | trans | -57.5 | 138.6 | 158.2 | -74.5 | -118.1 | 0 | 0 | 0 | 108.4 | I227 | H225-I227 VanDerWaalsContact C-N 3.28Å; H225-I227 PolarHBondContact O-N 3.06Å |
| 226 | S | 22.9 | Very low | 24.9 | Very low | 119 Ų | 119 | 129.5 Ų | 129.5 | 83% | 0.832 | 78% | 0.778 | S | S | * | * | | | trans | -72.7 | 83.1 | 174.1 | 54.5 | 0 | 0 | 0 | 0 | 110.2 | S228 | S226-S228 PolarHBondContact O-N 3.25Å; S226-S228 VanDerWaalsContact O-N 3.09Å |
| 227 | I | 23.9 | Very low | 25 | Very low | 140 Ų | 140 | 130 Ų | 130 | 72% | 0.718 | 78% | 0.781 | S | S | * | * | | | trans | -69.7 | 103.7 | 172.1 | -60 | 177.7 | 0 | 0 | 0 | 108.2 | H225 I229 | H225-I227 VanDerWaalsContact C-N 3.28Å; H225-I227 PolarHBondContact O-N 3.06Å; I227-I229 HydrophobicContact CG2-CG1 3.92Å; I227-I229 PolarHBondContact O-N 3.49Å; I227-I229 VanDerWaalsContact O-N 3.08Å |
| 228 | S | 20.9 | Very low | 24.9 | Very low | 113 Ų | 113 | 131.4 Ų | 131.4 | 79% | 0.79 | 78% | 0.784 | S | S | * | * | | | trans | -74.2 | 91.6 | 171.1 | 53.6 | 0 | 0 | 0 | 0 | 109.8 | S226 S230 | S226-S228 PolarHBondContact O-N 3.25Å; S226-S228 VanDerWaalsContact O-N 3.09Å; S228-S230 PolarHBondContact O-N 3.01Å |
| 229 | I | 24.3 | Very low | 25 | Very low | 136 Ų | 136 | 128.3 Ų | 128.3 | 70% | 0.697 | 78% | 0.783 | S | S | * | * | | | trans | -74.7 | 97.1 | 171.5 | -53 | -178.2 | 0 | 0 | 0 | 108.4 | I227 V231 | I227-I229 HydrophobicContact CG2-CG1 3.92Å; I227-I229 PolarHBondContact O-N 3.49Å; I227-I229 VanDerWaalsContact O-N 3.08Å; I229-V231 HydrophobicContact CG2-CG2 3.74Å |
| 230 | S | 22.3 | Very low | 25 | Very low | 101 Ų | 101 | 130.3 Ų | 130.3 | 71% | 0.706 | 79% | 0.787 | S | S | * | * | | | trans | -72.8 | 128.8 | 162.3 | -174.8 | 0 | 0 | 0 | 0 | 109 | S228 | S228-S230 PolarHBondContact O-N 3.01Š|
| 231 | V | 28.5 | Very low | 24.7 | Very low | 116 Ų | 116 | 127.6 Ų | 127.6 | 70% | 0.703 | 78% | 0.779 | S | S | * | * | | | trans | -120.6 | 95.1 | 174 | -171.6 | 0 | 0 | 0 | 0 | 108.9 | I229 G233 | I229-V231 HydrophobicContact CG2-CG2 3.74Å; V231-G233 PolarHBondContact O-N 3.48Å |
| 232 | N | 24.2 | Very low | 24.8 | Very low | 162 Ų | 162 | 128.6 Ų | 128.6 | 87% | 0.866 | 78% | 0.781 | S | S | * | * | | | trans | -72.1 | 111.9 | 160.7 | -77.6 | -16.1 | 0 | 0 | 0 | 108 | | |
| 233 | G | 28.6 | Very low | 24.7 | Very low | 59 Ų | 59 | 130.4 Ų | 130.4 | 61% | 0.608 | 78% | 0.781 | S | S | * | * | | | trans | 168 | 119.6 | 176.2 | 0 | 0 | 0 | 0 | 0 | 113.8 | V231 A235 | V231-G233 PolarHBondContact O-N 3.48Å; G233-A235 PolarHBondContact O-N 3.42Å |
| 234 | N | 24.8 | Very low | 24.8 | Very low | 176 Ų | 176 | 131 Ų | 131 | 94% | 0.941 | 79% | 0.785 | S | S | * | * | | | trans | -64.4 | 110.8 | -177.9 | -65.2 | -24.9 | 0 | 0 | 0 | 112.8 | | |
| 235 | A | 28.9 | Very low | 24.7 | Very low | 100 Ų | 100 | 131.2 Ų | 131.2 | 83% | 0.826 | 79% | 0.786 | S | S | * | * | | | trans | -152 | 107.4 | 158 | 0 | 0 | 0 | 0 | 0 | 110.7 | G233 | G233-A235 PolarHBondContact O-N 3.42Š|
| 236 | A | 23.2 | Very low | 24.8 | Very low | 104 Ų | 104 | 128.5 Ų | 128.5 | 86% | 0.86 | 79% | 0.785 | S | S | * | * | | | trans | -95 | 122 | 171.4 | 0 | 0 | 0 | 0 | 0 | 110.1 | | |
| 237 | L | 24.8 | Very low | 25 | Very low | 174 Ų | 174 | 134.2 Ų | 134.2 | 91% | 0.911 | 79% | 0.79 | S | S | * | * | | | trans | -146.8 | 123.8 | 159.6 | -105.3 | 176.3 | 0 | 0 | 0 | 110.8 | | |
| 238 | L | 22.4 | Very low | 25.1 | Very low | 154 Ų | 154 | 132.8 Ų | 132.8 | 81% | 0.806 | 79% | 0.792 | S | S | * | * | | | trans | -90.5 | 136.4 | 166.2 | -72.5 | 156.8 | 0 | 0 | 0 | 108.3 | | |
| 239 | L | 24.7 | Very low | 25.3 | Very low | 159 Ų | 159 | 136.3 Ų | 136.3 | 83% | 0.832 | 79% | 0.793 | S | S | * | * | | | | 165.3 | 120 | 109 | -85.8 | 177.1 | 0 | 0 | 0 | 112.7 | | |
| 240 | N | 25 | Very low | 25.4 | Very low | 153 Ų | 153 | 140.7 Ų | 140.7 | 82% | 0.818 | 80% | 0.803 | S | S | * | * | | | | 38 | 113.8 | 120 | -169.6 | 72.9 | 0 | 0 | 0 | 120.4 | | |
| 241 | G | 23.7 | Very low | 25.9 | Very low | 56 Ų | 56 | 140.9 Ų | 140.9 | 58% | 0.577 | 80% | 0.802 | S | S | * | * | | | | 102.6 | 103.2 | 122.5 | 0 | 0 | 0 | 0 | 0 | 119.3 | | |
| 242 | N | 24.7 | Very low | 25.9 | Very low | 150 Ų | 150 | 145.6 Ų | 145.6 | 80% | 0.802 | 81% | 0.813 | S | S | * | * | | | trans | 66.8 | 129.5 | 147.5 | -60.8 | -4.6 | 0 | 0 | 0 | 120.9 | | |
| 243 | N | 24.5 | Very low | 26.1 | Very low | 149 Ų | 149 | 142.8 Ų | 142.8 | 80% | 0.797 | 81% | 0.806 | S | S | * | * | | | trans | 34.6 | 115.2 | 135.8 | -52.7 | -1.8 | 0 | 0 | 0 | 119.3 | | |
| 244 | D | 26.2 | Very low | 26.2 | Very low | 155 Ų | 155 | 146 Ų | 146 | 83% | 0.829 | 81% | 0.814 | S | S | * | * | | | | -153.4 | 142.9 | 117.1 | -126.4 | -32.2 | 0 | 0 | 0 | 111.9 | | |
| 245 | S | 25.8 | Very low | 26.6 | Very low | 123 Ų | 123 | 143 Ų | 143 | 86% | 0.86 | 81% | 0.807 | S | S | * | * | | | trans | -141.3 | 68.8 | 176.1 | 57.7 | 0 | 0 | 0 | 0 | 111.2 | | |
| 246 | S | 26.3 | Very low | 26.7 | Very low | 100 Ų | 100 | 141.6 Ų | 141.6 | 70% | 0.699 | 80% | 0.802 | S | S | * | * | | | trans | -103.9 | 118.1 | 179.6 | -71.6 | 0 | 0 | 0 | 0 | 111.7 | | |
| 247 | Y | 27.3 | Very low | 27.1 | Very low | 239 Ų | 239 | 145.2 Ų | 145.2 | 94% | 0.937 | 80% | 0.801 | S | S | * | * | | | trans | -122.5 | 146.4 | 160.5 | -105.3 | -83 | 0 | 0 | 0 | 110.3 | | |
| 248 | S | 26.9 | Very low | 27.4 | Very low | 110 Ų | 110 | 141.9 Ų | 141.9 | 77% | 0.769 | 79% | 0.788 | S | S | * | * | | | trans | -86.9 | 150.1 | -156.2 | 50.6 | 0 | 0 | 0 | 0 | 115.8 | | |
| 249 | F | 23.4 | Very low | 27.7 | Very low | 186 Ų | 186 | 140.6 Ų | 140.6 | 82% | 0.816 | 79% | 0.787 | S | S | * | * | | | trans | -72.7 | 149.2 | 169.3 | -91.6 | -97.4 | 0 | 0 | 0 | 113.4 | | |
| 250 | Y | 27.1 | Very low | 27.8 | Very low | 229 Ų | 229 | 139.4 Ų | 139.4 | 90% | 0.898 | 78% | 0.78 | S | S | * | * | | | trans | -138.9 | 114 | 144.9 | -106 | -76.5 | 0 | 0 | 0 | 109.4 | | |
| 251 | P | 32.3 | Very low | 27.9 | Very low | 105 Ų | 105 | 138.8 Ų | 138.8 | 68% | 0.682 | 78% | 0.782 | S | S | * | * | | | trans | -103.4 | 160.3 | -179.9 | 37.5 | -32.6 | 0 | 0 | 0 | 113.1 | | |
| 252 | K | 29.8 | Very low | 27.9 | Very low | 215 Ų | 215 | 141 Ų | 141 | 94% | 0.935 | 79% | 0.788 | S | S | * | * | | | trans | -142.7 | 134.4 | 160.1 | -141.7 | 170.2 | -173.8 | 176.8 | 0 | 111.5 | | |
| 253 | S | 28.7 | Very low | 27.9 | Very low | 103 Ų | 103 | 141.4 Ų | 141.4 | 72% | 0.72 | 79% | 0.79 | S | S | * | * | | | trans | -75.8 | 168.8 | 178.9 | -172.3 | 0 | 0 | 0 | 0 | 110.4 | | |
| 254 | T | 30.9 | Very low | 28 | Very low | 126 Ų | 126 | 145.1 Ų | 145.1 | 77% | 0.773 | 79% | 0.793 | S | S | * | * | | | cis | -169.1 | 145.2 | 42.3 | -64 | 0 | 0 | 0 | 0 | 108 | | |
| 255 | S | 32.7 | Very low | 27.9 | Very low | 113 Ų | 113 | 144.9 Ų | 144.9 | 79% | 0.79 | 79% | 0.791 | S | S | * | * | | | cis | -155.5 | -170.6 | -7.2 | 51.8 | 0 | 0 | 0 | 0 | 107.2 | | |
| 256 | G | 30.5 | Very low | 28 | Very low | 71 Ų | 71 | 148.8 Ų | 148.8 | 73% | 0.732 | 79% | 0.793 | S | S | * | * | | | cis | -175.6 | -156.4 | 11.2 | 0 | 0 | 0 | 0 | 0 | 109 | | |
| 257 | Q | 32.5 | Very low | 28.1 | Very low | 179 Ų | 179 | 151 Ų | 151 | 84% | 0.836 | 80% | 0.797 | S | S | * | * | | | cis | -147 | 127.2 | -4.4 | -156.9 | -176.1 | 17.2 | 0 | 0 | 108 | | |
| 258 | T | 30 | Very low | 28 | Very low | 105 Ų | 105 | 145.8 Ų | 145.8 | 64% | 0.644 | 79% | 0.79 | S | S | * | * | | | trans | 38.1 | 141.6 | 152 | 57.8 | 0 | 0 | 0 | 0 | 121.8 | I260 | T258-I260 HydrophobicContact CG2-CD1 4.24Š|
| 259 | T | 29.1 | Very low | 28.1 | Very low | 126 Ų | 126 | 146.3 Ų | 146.3 | 77% | 0.773 | 79% | 0.789 | S | S | * | * | | | cis | -136.3 | 150.1 | 22.9 | 52 | 0 | 0 | 0 | 0 | 110.6 | | |
| 260 | I | 25.6 | Very low | 28.2 | Very low | 135 Ų | 135 | 144.5 Ų | 144.5 | 69% | 0.692 | 79% | 0.786 | S | S | * | * | | | cis | 70.1 | 113.7 | 42.8 | -55 | 177.1 | 0 | 0 | 0 | 110.7 | T258 | T258-I260 HydrophobicContact CG2-CD1 4.24Š|
| 261 | T | 28 | Very low | 28.3 | Very low | 140 Ų | 140 | 140 Ų | 140 | 86% | 0.859 | 78% | 0.778 | S | S | * | * | | | | -142 | 174.7 | 70.9 | 43.2 | 0 | 0 | 0 | 0 | 114.6 | | |
| 262 | S | 22.9 | Very low | 28 | Very low | 102 Ų | 102 | 141.9 Ų | 141.9 | 71% | 0.713 | 78% | 0.782 | S | S | * | * | | | trans | -148.9 | 173.7 | 178.2 | 66.5 | 0 | 0 | 0 | 0 | 112.2 | | |
| 263 | L | 24.8 | Very low | 27.8 | Very low | 159 Ų | 159 | 142.5 Ų | 142.5 | 83% | 0.832 | 78% | 0.779 | S | S | * | * | | | trans | 70.7 | 158.9 | 173.5 | -56.4 | 162.3 | 0 | 0 | 0 | 114 | | |
| 264 | R | 27.5 | Very low | 27.8 | Very low | 227 Ų | 227 | 143 Ų | 143 | 86% | 0.857 | 78% | 0.78 | S | S | * | * | | | cis | -155.4 | 150.2 | 18.4 | -157.8 | 175.9 | -169.4 | 166.5 | 3.7 | 111.8 | | |
| 265 | N | 23.5 | Very low | 27.8 | Very low | 150 Ų | 150 | 143 Ų | 143 | 80% | 0.802 | 78% | 0.782 | S | S | * | * | | | trans | -79.1 | 142.9 | 172.6 | -117.8 | -7.3 | 0 | 0 | 0 | 112.8 | | |
| 266 | K | 29.1 | Very low | 27.4 | Very low | 204 Ų | 204 | 145.6 Ų | 145.6 | 89% | 0.887 | 79% | 0.786 | S | S | * | * | | | trans | -152.8 | 163.2 | 156.6 | -92.1 | -159.6 | 176.8 | -176 | 0 | 110.9 | | |
| 267 | N | 27.6 | Very low | 27.5 | Very low | 146 Ų | 146 | 147.3 Ų | 147.3 | 78% | 0.781 | 78% | 0.784 | S | S | * | * | | | trans | -105.9 | 146.9 | -154.1 | -73.6 | -9.5 | 0 | 0 | 0 | 116.5 | | |
| 268 | V | 25.6 | Very low | 27 | Very low | 130 Ų | 130 | 149.7 Ų | 149.7 | 79% | 0.788 | 79% | 0.787 | S | S | * | * | | | trans | 58.8 | 118.3 | 135.8 | 176.2 | 0 | 0 | 0 | 0 | 120.2 | | |
| 269 | T | 27.9 | Very low | 26.8 | Very low | 122 Ų | 122 | 149.7 Ų | 149.7 | 75% | 0.748 | 79% | 0.791 | S | S | * | * | | | | -155.9 | 137.6 | 116.8 | 34.6 | 0 | 0 | 0 | 0 | 111 | | |
| 270 | L | 26.9 | Very low | 26.4 | Very low | 147 Ų | 147 | 151.1 Ų | 151.1 | 77% | 0.77 | 79% | 0.794 | S | S | * | * | | | trans | 26.4 | 119.8 | 141 | -63.3 | 161 | 0 | 0 | 0 | 117.3 | | |
| 271 | N | 27.9 | Very low | 26.4 | Very low | 135 Ų | 135 | 152.3 Ų | 152.3 | 72% | 0.722 | 80% | 0.8 | S | S | * | * | | | cis | -160.1 | 172.5 | 42.4 | -88.6 | -31.4 | 0 | 0 | 0 | 114 | | |
| 272 | D | 27.6 | Very low | 26.1 | Very low | 144 Ų | 144 | 151.4 Ų | 151.4 | 77% | 0.77 | 80% | 0.8 | S | S | * | * | | | trans | 61.1 | 77.8 | 156.8 | -66.2 | -49.2 | 0 | 0 | 0 | 121.6 | | |
| 273 | R | 25.3 | Very low | 26.1 | Very low | 228 Ų | 228 | 151.5 Ų | 151.5 | 86% | 0.86 | 80% | 0.799 | S | S | * | * | | | | 75 | 92.2 | 113.1 | -160.7 | 179 | -164 | 177.3 | 5 | 120.1 | | |
| 274 | P | 27.1 | Very low | 26.1 | Very low | 115 Ų | 115 | 150.3 Ų | 150.3 | 75% | 0.747 | 80% | 0.798 | S | S | * | * | | | trans | -89.5 | 167.6 | 156.9 | 37.9 | -34.3 | 0 | 0 | 0 | 112.5 | | |
| 275 | P | 31.5 | Very low | 26 | Very low | 125 Ų | 125 | 149.6 Ų | 149.6 | 81% | 0.812 | 80% | 0.801 | S | S | * | * | | | trans | -107.1 | 130.7 | 160.9 | 34.8 | -25.6 | 0 | 0 | 0 | 112.6 | | |
| 276 | L | 25.7 | Very low | 26.2 | Very low | 167 Ų | 167 | 148.7 Ų | 148.7 | 87% | 0.874 | 79% | 0.79 | S | S | * | * | | | trans | -94.3 | 155.2 | 159.3 | -80.6 | 167 | 0 | 0 | 0 | 109.5 | | |
| 277 | P | 32.5 | Very low | 26.1 | Very low | 107 Ų | 107 | 141.4 Ų | 141.4 | 70% | 0.695 | 77% | 0.765 | S | S | * | * | | | trans | -80.4 | 140.3 | 173.1 | 33.1 | -33.4 | 0 | 0 | 0 | 111.4 | | |
| 278 | Y | 21.6 | Very low | 26 | Very low | 229 Ų | 229 | 138.4 Ų | 138.4 | 90% | 0.898 | 75% | 0.748 | S | S | * | * | | | trans | -175.5 | 172.3 | 139.5 | -119.2 | -80.4 | 0 | 0 | 0 | 111.9 | | |
| 279 | S | 24.9 | Very low | 25.8 | Very low | 105 Ų | 105 | 136.2 Ų | 136.2 | 73% | 0.734 | 74% | 0.744 | S | S | * | * | | | trans | 72.5 | 114.3 | 164.7 | 58.8 | 0 | 0 | 0 | 0 | 118.9 | | |
| 280 | D | 20.3 | Very low | 25.5 | Very low | 157 Ų | 157 | 136.3 Ų | 136.3 | 84% | 0.84 | 74% | 0.744 | S | S | * | * | | | trans | -56.9 | 144 | 146.7 | -57.8 | -85.5 | 0 | 0 | 0 | 111.4 | | |
| 281 | I | 25.4 | Very low | 25.2 | Very low | 159 Ų | 159 | 135.2 Ų | 135.2 | 82% | 0.815 | 74% | 0.743 | S | S | * | * | | | trans | -163.1 | 131.1 | 137.4 | -100.7 | 150.8 | 0 | 0 | 0 | 107.5 | | |
| 282 | S | 21.9 | Very low | 25 | Very low | 121 Ų | 121 | 139.4 Ų | 139.4 | 85% | 0.846 | 75% | 0.749 | S | S | * | * | | | trans | -95.4 | 119 | 179 | 58.3 | 0 | 0 | 0 | 0 | 111.6 | | |
| 283 | C | 23.2 | Very low | 24.7 | Very low | 104 Ų | 104 | 140.1 Ų | 140.1 | 70% | 0.703 | 75% | 0.751 | S | S | * | * | | | trans | -149.2 | 106.1 | 162.2 | 59.4 | 0 | 0 | 0 | 0 | 114.4 | | |
| 284 | V | 24.4 | Very low | 24.5 | Very low | 134 Ų | 134 | 133.9 Ų | 133.9 | 81% | 0.812 | 74% | 0.742 | S | S | * | * | | | trans | 53.6 | 109.9 | 142.5 | -170.4 | 0 | 0 | 0 | 0 | 118.9 | | |
| 285 | K | 27 | Very low | 24.3 | Very low | 212 Ų | 212 | 132.7 Ų | 132.7 | 92% | 0.922 | 74% | 0.742 | S | S | * | * | | | | -128.7 | 145.9 | 123.6 | -119.4 | 176.3 | -176.5 | 177.4 | 0 | 110 | | |
| 286 | K | 26.1 | Very low | 23.9 | Very low | 132 Ų | 132 | 132.4 Ų | 132.4 | 57% | 0.574 | 74% | 0.738 | S | S | * | * | | | trans | -58.4 | 153.5 | -177.6 | -57.9 | -174.7 | 176.6 | -169.1 | 0 | 109.9 | N111 | N111-K286 PolarHBondContact OD1-NZ 2.98Å; N111-K286 VanDerWaalsContact OD1-NZ 3.11Å |
| 287 | S | 27.6 | Very low | 24 | Very low | 51 Ų | 51 | 131.1 Ų | 131.1 | 36% | 0.357 | 73% | 0.732 | S | S | . | * | | | | 177.1 | 167.1 | 65.9 | 39.4 | 0 | 0 | 0 | 0 | 116.3 | R109 | R109-S287 VanDerWaalsContact CD-CB 3.43Å; R109-S287 WeakPolarHBondContact CD-OG 3.43Å; R109-S287 PolarHBondContact NH1-OG 2.95Å; R109-S287 PolarHBondContact NH2-O 3.2Å |
| 288 | I | 25.1 | Very low | 23.5 | Very low | 82 Ų | 82 | 131.6 Ų | 131.6 | 42% | 0.421 | 74% | 0.738 | S | S | . | * | | | trans | -80.4 | 135.1 | -156.4 | -69.4 | 152.7 | 0 | 0 | 0 | 116.2 | R109 T110 | R109-I288 PolarHBondContact NE-O 3.43Å; R109-I288 VanDerWaalsContact NH2-C 3.26Å; R109-I288 PolarHBondContact NH2-O 3.14Å; T110-I288 VanDerWaalsContact O-CD1 3.22Å; T110-I288 WeakPolarHBondContact O-CD1 3.31Å |
| 289 | A | 21.5 | Very low | 23.9 | Very low | 85 Ų | 85 | 125.7 Ų | 125.7 | 70% | 0.702 | 74% | 0.736 | S | S | * | * | | | trans | -67.8 | 145.6 | 170 | 0 | 0 | 0 | 0 | 0 | 112.7 | | |
| 290 | V | 22.9 | Very low | 24 | Very low | 123 Ų | 123 | 126.8 Ų | 126.8 | 75% | 0.745 | 73% | 0.725 | S | S | * | * | | | trans | -137 | 109.1 | 165.4 | 178.1 | 0 | 0 | 0 | 0 | 108.7 | | |
| 291 | V | 20.4 | Very low | 24.5 | Very low | 125 Ų | 125 | 126 Ų | 126 | 76% | 0.758 | 73% | 0.725 | S | S | * | * | | | trans | -79 | 138.5 | 159.7 | 172.3 | 0 | 0 | 0 | 0 | 107.8 | I293 | V291-I293 HydrophobicContact CG1-CD1 4.49Å; V291-I293 HydrophobicContact CG1-CG1 4.02Å |
| 292 | R | 22.1 | Very low | 24.4 | Very low | 223 Ų | 223 | 123.2 Ų | 123.2 | 84% | 0.842 | 71% | 0.711 | S | S | * | * | | | trans | -132.4 | 113.8 | 163.3 | -175.4 | -174.5 | -72.7 | -171.7 | -2.9 | 108.9 | | |
| 293 | I | 22.5 | Very low | 24.6 | Very low | 159 Ų | 159 | 121.1 Ų | 121.1 | 82% | 0.815 | 70% | 0.697 | S | S | * | * | | | trans | -95.4 | 118.7 | 171.4 | -61.7 | 171.8 | 0 | 0 | 0 | 108.4 | V291 | V291-I293 HydrophobicContact CG1-CD1 4.49Å; V291-I293 HydrophobicContact CG1-CG1 4.02Å |
| 294 | S | 21.3 | Very low | 24.6 | Very low | 97 Ų | 97 | 122.9 Ų | 122.9 | 68% | 0.678 | 70% | 0.699 | S | S | * | * | | | trans | -170.5 | 133 | 153.4 | 55.7 | 0 | 0 | 0 | 0 | 109.3 | | |
| 295 | A | 21.9 | Very low | 24.7 | Very low | 90 Ų | 90 | 123.5 Ų | 123.5 | 74% | 0.744 | 70% | 0.697 | S | S | * | * | | | trans | -67.3 | 170 | 176.8 | 0 | 0 | 0 | 0 | 0 | 111.6 | | |
| 296 | T | 23.6 | Very low | 25 | Very low | 118 Ų | 118 | 118.9 Ų | 118.9 | 72% | 0.724 | 69% | 0.689 | S | S | * | * | | | cis | -154.7 | 173 | 40.3 | 52.9 | 0 | 0 | 0 | 0 | 115 | | |
| 297 | N | 26.9 | Very low | 25.4 | Very low | 140 Ų | 140 | 118.7 Ų | 118.7 | 75% | 0.749 | 70% | 0.701 | S | S | * | * | | | trans | 76 | 89.6 | 154.4 | -66.2 | -13.6 | 0 | 0 | 0 | 121.6 | | |
| 298 | S | 23.9 | Very low | 25.3 | Very low | 117 Ų | 117 | 128 Ų | 128 | 82% | 0.818 | 73% | 0.728 | S | S | * | * | | | | 47.4 | 105.8 | 114.5 | -55 | 0 | 0 | 0 | 0 | 121.9 | | |
| 299 | A | 29.7 | Very low | 25.6 | Very low | 105 Ų | 105 | 130.5 Ų | 130.5 | 87% | 0.868 | 74% | 0.742 | S | S | * | * | | | trans | -163.2 | 154.2 | 131.6 | 0 | 0 | 0 | 0 | 0 | 111.9 | | |
| 300 | R | 25.7 | Very low | 26.4 | Very low | 129 Ų | 129 | 132.5 Ų | 132.5 | 49% | 0.487 | 75% | 0.749 | S | S | . | * | | | trans | -111.9 | 156 | 166.9 | -63.3 | 176.6 | -179.1 | 160.5 | -6.9 | 109.6 | R353 Y354 R355 | R300-R353 VanDerWaalsContact CZ-O 3.24Å; R300-R353 VanDerWaalsContact NH1-C 3.35Å; R300-R353 PolarHBondContact NH1-O 3.43Å; R300-R353 PolarHBondContact NH2-O 3.38Å; R300-Y354 VanDerWaalsContact NH2-C 3.33Å; R300-Y354 PolarHBondContact NH2-O 3.01Å; R300-R355 PolarHBondContact NH2-O 3.42Å |
| 301 | V | 30.7 | Very low | 26.7 | Very low | 140 Ų | 140 | 133.3 Ų | 133.3 | 85% | 0.848 | 75% | 0.747 | S | S | * | * | | | trans | -161.8 | 173.5 | 136.3 | 125.4 | 0 | 0 | 0 | 0 | 111.8 | | |
| 302 | L | 24.6 | Very low | 27.1 | Very low | 100 Ų | 100 | 134.6 Ų | 134.6 | 52% | 0.524 | 75% | 0.75 | S | S | . | * | | | trans | -78.4 | 151.2 | -173.8 | -99 | 70.3 | 0 | 0 | 0 | 115.2 | R353 | L302-R353 HydrophobicContact CD1-CG 4.4Š|
| 303 | S | 25 | Very low | 27.5 | Very low | 77 Ų | 77 | 128.8 Ų | 128.8 | 54% | 0.538 | 74% | 0.739 | S | S | . | * | | | trans | 5.2 | 131.8 | 146.1 | 58.2 | 0 | 0 | 0 | 0 | 120.4 | | |
| 304 | N | 24.7 | Very low | 27.7 | Very low | 141 Ų | 141 | 128.2 Ų | 128.2 | 75% | 0.754 | 74% | 0.736 | S | S | * | * | | | | -177.8 | 156 | 97.8 | -100.2 | -19.8 | 0 | 0 | 0 | 114.8 | | |
| 305 | L | 26.1 | Very low | 27.9 | Very low | 147 Ų | 147 | 128 Ų | 128 | 77% | 0.77 | 73% | 0.734 | S | S | * | * | | | trans | 48.7 | 128.1 | 159.3 | -84 | 77.1 | 0 | 0 | 0 | 120.9 | | |
| 306 | P | 33.3 | Very low | 28.2 | Very low | 116 Ų | 116 | 129.9 Ų | 129.9 | 75% | 0.753 | 74% | 0.736 | S | S | * | * | P | Polyproline II helix | trans | -76.7 | 156.4 | 153.8 | 34.3 | -32.8 | 0 | 0 | 0 | 111.5 | | |
| 307 | P | 33.3 | Very low | 28.4 | Very low | 127 Ų | 127 | 134.6 Ų | 134.6 | 83% | 0.825 | 74% | 0.741 | S | S | * | * | P | Polyproline II helix | trans | -81 | 163.1 | -172.1 | 32.7 | -36.4 | 0 | 0 | 0 | 114.7 | | |
| 308 | R | 27.2 | Very low | 28.5 | Very low | 246 Ų | 246 | 134.4 Ų | 134.4 | 93% | 0.928 | 74% | 0.74 | S | S | * | * | P | Polyproline II helix | trans | -89.1 | 146.5 | -176.8 | -153.2 | 177.7 | -167.8 | 178.7 | 2.7 | 111.6 | | |
| 309 | N | 30.7 | Very low | 28.7 | Very low | 135 Ų | 135 | 133.4 Ų | 133.4 | 72% | 0.722 | 73% | 0.733 | S | S | * | * | P | Polyproline II helix | trans | -62.4 | 151.9 | 179.1 | -63.4 | -12.1 | 0 | 0 | 0 | 113.7 | | |
| 310 | P | 38.1 | Very low | 29.1 | Very low | 128 Ų | 128 | 134.6 Ų | 134.6 | 83% | 0.831 | 73% | 0.732 | S | S | * | * | P | Polyproline II helix | trans | -71.2 | 159.2 | 150.9 | 33.5 | -33 | 0 | 0 | 0 | 111 | | |
| 311 | I | 29 | Very low | 29.2 | Very low | 140 Ų | 140 | 136.4 Ų | 136.4 | 72% | 0.718 | 75% | 0.746 | S | S | * | * | | | trans | -123.5 | 154.1 | -165.8 | -67.1 | 162 | 0 | 0 | 0 | 110.1 | | |
| 312 | N | 29.9 | Very low | 29.5 | Very low | 152 Ų | 152 | 134.8 Ų | 134.8 | 81% | 0.813 | 74% | 0.738 | S | S | * | * | | | trans | 174 | 148.3 | 140.8 | -89.6 | -12 | 0 | 0 | 0 | 111.5 | | |
| 313 | V | 28.7 | Very low | 29.7 | Very low | 100 Ų | 100 | 135.9 Ų | 135.9 | 61% | 0.606 | 74% | 0.744 | S | S | * | * | | | cis | -171.4 | 128.2 | -22 | 113.3 | 0 | 0 | 0 | 0 | 106.1 | | |
| 314 | I | 27 | Very low | 29.9 | Very low | 148 Ų | 148 | 139.6 Ų | 139.6 | 76% | 0.759 | 75% | 0.752 | S | S | * | * | | | | 62.5 | 139.4 | 96.9 | -80.6 | 170.7 | 0 | 0 | 0 | 114 | | |
| 315 | S | 26.5 | Very low | 30.2 | Very low | 91 Ų | 91 | 137.5 Ų | 137.5 | 64% | 0.636 | 75% | 0.749 | S | S | * | * | | | cis | -158.9 | 158.5 | 1.2 | -113 | 0 | 0 | 0 | 0 | 110.6 | | |
| 316 | V | 27.9 | Very low | 30.4 | Very low | 131 Ų | 131 | 141.1 Ų | 141.1 | 79% | 0.794 | 75% | 0.754 | S | S | * | * | | | | 63.6 | 131.1 | 76 | -173.3 | 0 | 0 | 0 | 0 | 116.8 | | |
| 317 | R | 27.7 | Very low | 30 | Very low | 217 Ų | 217 | 140.2 Ų | 140.2 | 82% | 0.819 | 75% | 0.75 | S | S | * | * | | | trans | 176.8 | 154.7 | 145 | -94.2 | -174.7 | -171.9 | -152.2 | -1.4 | 108.7 | | |
| 318 | N | 29.4 | Very low | 29.8 | Very low | 136 Ų | 136 | 139 Ų | 139 | 73% | 0.727 | 74% | 0.744 | S | S | * | * | | | cis | -152.2 | 167.7 | 10.8 | -130.1 | 13.1 | 0 | 0 | 0 | 111.9 | | |
| 319 | S | 27.7 | Very low | 29.8 | Very low | 96 Ų | 96 | 135.3 Ų | 135.3 | 67% | 0.671 | 74% | 0.737 | S | S | * | * | | | trans | -102.5 | -171.6 | 174.3 | 55.8 | 0 | 0 | 0 | 0 | 113.1 | | |
| 320 | P | 39.3 | Very low | 29.6 | Very low | 129 Ų | 129 | 137 Ų | 137 | 84% | 0.838 | 74% | 0.741 | S | S | * | * | | | | -138 | -178.9 | 102.5 | 39.9 | -28.1 | 0 | 0 | 0 | 116 | | |
| 321 | E | 26.2 | Very low | 29.1 | Very low | 168 Ų | 168 | 138.2 Ų | 138.2 | 79% | 0.785 | 74% | 0.741 | S | S | * | * | | | trans | -109.8 | -164.1 | -167.2 | -138.4 | -164.9 | -106.2 | 0 | 0 | 110.5 | L323 | E321-L323 PolarHBondContact OE2-N 3.05Š|
| 322 | P | 37.8 | Very low | 28.9 | Very low | 106 Ų | 106 | 138.6 Ų | 138.6 | 69% | 0.688 | 74% | 0.743 | S | S | * | * | | | cis | -154.4 | 173.6 | 41 | 45.9 | -23.4 | 0 | 0 | 0 | 121.4 | | |
| 323 | L | 28 | Very low | 29 | Very low | 122 Ų | 122 | 139.9 Ų | 139.9 | 64% | 0.639 | 75% | 0.749 | S | S | * | * | | | trans | 96.8 | 120.6 | 147.4 | -65.1 | -168.5 | 0 | 0 | 0 | 123.1 | E321 | E321-L323 PolarHBondContact OE2-N 3.05Š|
| 324 | H | 29.7 | Very low | 28.8 | Very low | 156 Ų | 156 | 139.6 Ų | 139.6 | 72% | 0.722 | 75% | 0.751 | S | S | * | * | | | trans | 71.2 | 130.6 | 146.8 | -66.6 | -49 | 0 | 0 | 0 | 119.2 | | |
| 325 | S | 30.5 | Very low | 28.7 | Very low | 97 Ų | 97 | 140.5 Ų | 140.5 | 68% | 0.678 | 76% | 0.758 | S | S | * | * | | | cis | -148.8 | 145.8 | 10.9 | -48.3 | 0 | 0 | 0 | 0 | 115.3 | | |
| 326 | Y | 29.9 | Very low | 28.8 | Very low | 223 Ų | 223 | 139.8 Ų | 139.8 | 88% | 0.875 | 77% | 0.765 | S | S | * | * | | | trans | 52.5 | 92.9 | 154.1 | -69.3 | -68.3 | 0 | 0 | 0 | 122.1 | | |
| 327 | S | 25.1 | Very low | 28.8 | Very low | 96 Ų | 96 | 137.8 Ų | 137.8 | 67% | 0.671 | 76% | 0.762 | S | S | * | * | | | trans | -64 | 167.2 | 140.7 | 51.1 | 0 | 0 | 0 | 0 | 112.1 | | |
| 328 | S | 29.3 | Very low | 28.8 | Very low | 101 Ų | 101 | 138.1 Ų | 138.1 | 71% | 0.706 | 76% | 0.763 | S | S | * | * | | | | 155.9 | 168.1 | 83.6 | 50.5 | 0 | 0 | 0 | 0 | 109.5 | | |
| 329 | H | 28.2 | Very low | 28.7 | Very low | 169 Ų | 169 | 141.7 Ų | 141.7 | 78% | 0.782 | 77% | 0.766 | S | S | * | * | | | cis | -149.9 | 167.5 | -15.8 | -126.1 | -66.3 | 0 | 0 | 0 | 108.8 | | |
| 330 | E | 25.3 | Very low | 28.8 | Very low | 170 Ų | 170 | 145.7 Ų | 145.7 | 79% | 0.794 | 77% | 0.772 | S | S | * | * | | | trans | -64.4 | 162.6 | 169.2 | -53.2 | 174.5 | 122.7 | 0 | 0 | 113.1 | | |
| 331 | N | 28.9 | Very low | 28.3 | Very low | 155 Ų | 155 | 144.5 Ų | 144.5 | 83% | 0.829 | 77% | 0.767 | S | S | * | * | | | trans | -156.3 | 160.2 | 150.1 | -125.6 | -50.6 | 0 | 0 | 0 | 114.7 | | |
| 332 | L | 24.1 | Very low | 28.4 | Very low | 147 Ų | 147 | 143.2 Ų | 143.2 | 77% | 0.77 | 77% | 0.765 | S | S | * | * | | | trans | -85.6 | 158.3 | 175.2 | -50.3 | 97.7 | 0 | 0 | 0 | 111.1 | | |
| 333 | L | 31 | Very low | 28 | Very low | 179 Ų | 179 | 144.8 Ų | 144.8 | 94% | 0.937 | 77% | 0.766 | S | S | * | * | | | | 164.8 | 165.5 | 127.1 | -88.2 | 160.2 | 0 | 0 | 0 | 112.1 | | |
| 334 | S | 25.4 | Very low | 28.1 | Very low | 94 Ų | 94 | 144.5 Ų | 144.5 | 66% | 0.657 | 77% | 0.765 | S | S | * | * | | | trans | -140.7 | 154.4 | -174.4 | 60.6 | 0 | 0 | 0 | 0 | 113.2 | | |
| 335 | N | 25.4 | Very low | 28.1 | Very low | 168 Ų | 168 | 144.4 Ų | 144.4 | 90% | 0.898 | 77% | 0.765 | S | S | * | * | | | trans | 85.6 | 138.6 | 173.9 | -57 | -48.1 | 0 | 0 | 0 | 118.1 | | |
| 336 | G | 27.2 | Very low | 27.9 | Very low | 75 Ų | 75 | 147 Ų | 147 | 77% | 0.773 | 77% | 0.771 | S | S | * | * | | | trans | 116.3 | 73.6 | 175 | 0 | 0 | 0 | 0 | 0 | 114 | | |
| 337 | A | 28.5 | Very low | 28.4 | Very low | 89 Ų | 89 | 141.2 Ų | 141.2 | 74% | 0.736 | 76% | 0.761 | S | S | * | * | | | cis | 93.2 | 124.8 | 32.2 | 0 | 0 | 0 | 0 | 0 | 116 | | |
| 338 | R | 28.8 | Very low | 28.5 | Very low | 225 Ų | 225 | 143.7 Ų | 143.7 | 85% | 0.849 | 76% | 0.762 | S | S | * | * | | | trans | 86.3 | 110.3 | 169 | -54.6 | 178.3 | -177.7 | -170.3 | 1.8 | 115.9 | | |
| 339 | R | 26.6 | Very low | 28.4 | Very low | 210 Ų | 210 | 148.5 Ų | 148.5 | 79% | 0.792 | 76% | 0.764 | S | S | * | * | | | | 90.1 | 143 | 89.4 | -78.5 | 179.4 | -179.3 | -170.4 | -0.4 | 111.8 | | |
| 340 | F | 29.3 | Very low | 28.2 | Very low | 180 Ų | 180 | 144.8 Ų | 144.8 | 79% | 0.789 | 76% | 0.763 | S | S | * | * | | | cis | -139.5 | 163.7 | 33.3 | -76.6 | -103.1 | 0 | 0 | 0 | 114.9 | | |
| 341 | S | 29.1 | Very low | 28.3 | Very low | 104 Ų | 104 | 144.1 Ų | 144.1 | 73% | 0.727 | 77% | 0.765 | S | S | * | * | | | trans | 59.8 | 139.8 | 150.9 | 47 | 0 | 0 | 0 | 0 | 120.6 | | |
| 342 | L | 29.2 | Very low | 28.2 | Very low | 142 Ų | 142 | 144.7 Ų | 144.7 | 74% | 0.743 | 77% | 0.767 | S | S | * | * | | | cis | -160.6 | 143.6 | -5.9 | -142.2 | 81.3 | 0 | 0 | 0 | 109.8 | | |
| 343 | I | 29.4 | Very low | 28.2 | Very low | 139 Ų | 139 | 145.3 Ų | 145.3 | 71% | 0.713 | 76% | 0.759 | S | S | * | * | | | trans | 47.2 | 132.2 | 136.4 | -75.5 | 175.7 | 0 | 0 | 0 | 119.8 | | |
| 344 | D | 28.4 | Very low | 27.9 | Very low | 116 Ų | 116 | 147.1 Ų | 147.1 | 62% | 0.62 | 76% | 0.755 | S | S | * | * | | | cis | -158.9 | 173.7 | 12.1 | -134.8 | -25.1 | 0 | 0 | 0 | 116.7 | | |
| 345 | Q | 30.5 | Very low | 27.9 | Very low | 154 Ų | 154 | 153 Ų | 153 | 72% | 0.72 | 76% | 0.763 | S | S | * | * | | | trans | 10 | 135.4 | 160.4 | -73.9 | 153.8 | 73.1 | 0 | 0 | 122.5 | | |
| 346 | N | 25.9 | Very low | 27.8 | Very low | 150 Ų | 150 | 149.6 Ų | 149.6 | 80% | 0.802 | 75% | 0.752 | S | S | * | * | | | cis | 87.6 | 163.2 | 42.4 | -147.4 | 38.1 | 0 | 0 | 0 | 113.1 | | |
| 347 | P | 41.6 | Very low | 27.8 | Very low | 102 Ų | 102 | 151.8 Ų | 151.8 | 66% | 0.662 | 75% | 0.75 | S | S | * | * | | | | -136.7 | 176.9 | -87.1 | 44.4 | -29 | 0 | 0 | 0 | 116.4 | | |
| 348 | E | 26.4 | Very low | 27.6 | Very low | 148 Ų | 148 | 154.5 Ų | 154.5 | 69% | 0.692 | 75% | 0.752 | S | S | * | * | | | trans | -174.9 | 162.1 | 144.9 | -112 | -161.2 | -171.1 | 0 | 0 | 110.1 | | |
| 349 | R | 27.1 | Very low | 27.6 | Very low | 202 Ų | 202 | 149.1 Ų | 149.1 | 76% | 0.762 | 74% | 0.744 | S | S | * | * | | | cis | -151.4 | 172.7 | 0.3 | -149.4 | 177.4 | -169.1 | 122.8 | -2.3 | 109.5 | | |
| 350 | A | 25.3 | Very low | 27.4 | Very low | 92 Ų | 92 | 145.8 Ų | 145.8 | 76% | 0.76 | 74% | 0.742 | S | S | * | * | | | trans | -130.4 | 162 | -174.8 | 0 | 0 | 0 | 0 | 0 | 116.7 | | |
| 351 | N | 26.8 | Very low | 27.2 | Very low | 155 Ų | 155 | 143.6 Ų | 143.6 | 83% | 0.829 | 74% | 0.743 | S | S | * | * | | | trans | -42.6 | 156.9 | -177.7 | -63.4 | -64.1 | 0 | 0 | 0 | 119.4 | | |
| 352 | L | 26 | Very low | 27.1 | Very low | 168 Ų | 168 | 146.7 Ų | 146.7 | 88% | 0.88 | 75% | 0.751 | S | S | * | * | | | trans | -140.3 | 155.2 | 151.5 | -81.3 | -177 | 0 | 0 | 0 | 114.1 | | |
| 353 | R | 25.4 | Very low | 27.1 | Very low | 159 Ų | 159 | 145 Ų | 145 | 60% | 0.6 | 75% | 0.751 | S | S | * | * | | | trans | -107.3 | 179.2 | -175.5 | -102.7 | -173.6 | 175.7 | -177.2 | -1.5 | 114 | R300 L302 | R300-R353 VanDerWaalsContact CZ-O 3.24Å; R300-R353 VanDerWaalsContact NH1-C 3.35Å; R300-R353 PolarHBondContact NH1-O 3.43Å; R300-R353 PolarHBondContact NH2-O 3.38Å; L302-R353 HydrophobicContact CD1-CG 4.4Å |
| 354 | Y | 24.3 | Very low | 27.2 | Very low | 218 Ų | 218 | 143 Ų | 143 | 86% | 0.855 | 75% | 0.747 | S | S | * | * | | | trans | -83.5 | 173.5 | -177.1 | -116.7 | -96.1 | 0 | 0 | 0 | 117.1 | R300 | R300-Y354 VanDerWaalsContact NH2-C 3.33Å; R300-Y354 PolarHBondContact NH2-O 3.01Å |
| 355 | R | 24 | Very low | 27.2 | Very low | 216 Ų | 216 | 144.1 Ų | 144.1 | 82% | 0.815 | 75% | 0.753 | S | S | * | * | | | trans | 79.7 | 108.7 | 174.6 | -83.8 | -163.6 | 173.4 | -169.6 | -1.6 | 119.3 | R300 | R300-R355 PolarHBondContact NH2-O 3.42Š|
| 356 | S | 25.2 | Very low | 27 | Very low | 97 Ų | 97 | 141.6 Ų | 141.6 | 68% | 0.678 | 75% | 0.752 | S | S | * | * | | | | 43.1 | 144.4 | 105.7 | 71.1 | 0 | 0 | 0 | 0 | 120.5 | | |
| 357 | V | 26.8 | Very low | 27.2 | Very low | 121 Ų | 121 | 138.8 Ų | 138.8 | 73% | 0.733 | 74% | 0.744 | S | S | * | * | | | cis | -166.3 | 149.4 | -1.7 | 100.4 | 0 | 0 | 0 | 0 | 111.9 | | |
| 358 | L | 24.7 | Very low | 26.8 | Very low | 147 Ų | 147 | 141.3 Ų | 141.3 | 77% | 0.77 | 75% | 0.747 | S | S | * | * | | | trans | 54.6 | 156.1 | 163.7 | -57.7 | 170.9 | 0 | 0 | 0 | 118.4 | | |
| 359 | T | 26.9 | Very low | 26.8 | Very low | 111 Ų | 111 | 143 Ų | 143 | 68% | 0.681 | 75% | 0.747 | S | S | * | * | | | cis | -154.9 | 172.9 | -0.5 | -7.2 | 0 | 0 | 0 | 0 | 112 | | |
| 360 | N | 23.7 | Very low | 26.8 | Very low | 140 Ų | 140 | 140.7 Ų | 140.7 | 75% | 0.749 | 74% | 0.743 | S | S | * | * | | | trans | 79.8 | 102.3 | 155.9 | -66.5 | -2.4 | 0 | 0 | 0 | 121.6 | | |
| 361 | V | 25.2 | Very low | 27 | Very low | 135 Ų | 135 | 143.8 Ų | 143.8 | 82% | 0.818 | 74% | 0.74 | S | S | * | * | | | | 30.3 | 115.5 | 120.9 | -174.2 | 0 | 0 | 0 | 0 | 118.4 | | |
| 362 | L | 25.5 | Very low | 27.1 | Very low | 169 Ų | 169 | 144.2 Ų | 144.2 | 89% | 0.885 | 74% | 0.736 | S | S | * | * | | | trans | -162.7 | 130.9 | 132.2 | -109 | 159.5 | 0 | 0 | 0 | 110.4 | | |
| 363 | S | 30.1 | Very low | 27.1 | Very low | 106 Ų | 106 | 141.9 Ų | 141.9 | 74% | 0.741 | 73% | 0.734 | S | S | * | * | | | trans | -131.7 | 146.5 | 165.1 | -178.9 | 0 | 0 | 0 | 0 | 106.9 | | |
| 364 | P | 31.2 | Very low | 27.2 | Very low | 98 Ų | 98 | 138.7 Ų | 138.7 | 64% | 0.636 | 74% | 0.736 | S | S | * | * | | | | -148.7 | -176.5 | 114.3 | 39.8 | -24.5 | 0 | 0 | 0 | 114.8 | | |
| 365 | N | 28.8 | Very low | 27.2 | Very low | 138 Ų | 138 | 134 Ų | 134 | 74% | 0.738 | 73% | 0.734 | S | S | * | * | | | trans | 75.6 | 101.4 | 167.5 | -56 | -13.6 | 0 | 0 | 0 | 115.5 | | |
| 366 | S | 26.6 | Very low | 27.2 | Very low | 101 Ų | 101 | 130.4 Ų | 130.4 | 71% | 0.706 | 73% | 0.731 | S | S | * | * | | | | 73.3 | 129.9 | 66.1 | 79.1 | 0 | 0 | 0 | 0 | 112.8 | | |
| 367 | S | 30 | Very low | 27.3 | Very low | 91 Ų | 91 | 134 Ų | 134 | 64% | 0.636 | 74% | 0.736 | S | S | * | * | | | cis | -157.8 | 143.6 | 43.4 | -79.3 | 0 | 0 | 0 | 0 | 115.4 | | |
| 368 | Q | 31.9 | Very low | 27.1 | Very low | 156 Ų | 156 | 139 Ų | 139 | 73% | 0.729 | 74% | 0.744 | S | S | * | * | | | trans | 66.4 | 140.9 | 135.9 | -67.9 | -170 | 29.2 | 0 | 0 | 120.9 | | |
| 369 | R | 27.8 | Very low | 27.3 | Very low | 182 Ų | 182 | 138.3 Ų | 138.3 | 69% | 0.687 | 75% | 0.745 | S | S | * | * | | | cis | -167.2 | 176.8 | -13.2 | -130.2 | 175.3 | -173.9 | 175.6 | -1.6 | 111.8 | | |
| 370 | F | 27.2 | Very low | 27.2 | Very low | 155 Ų | 155 | 141.4 Ų | 141.4 | 68% | 0.68 | 75% | 0.752 | S | S | * | * | | | trans | 81.4 | 152.4 | 164.9 | -56.9 | -62 | 0 | 0 | 0 | 116.7 | | |
| 371 | F | 28.7 | Very low | 27.3 | Very low | 157 Ų | 157 | 139.2 Ų | 139.2 | 69% | 0.689 | 75% | 0.753 | S | S | * | * | | | cis | -145.8 | 106.2 | -3 | -130.8 | -46.8 | 0 | 0 | 0 | 112.8 | | |
| 372 | H | 28.4 | Very low | 27.1 | Very low | 164 Ų | 164 | 141.6 Ų | 141.6 | 76% | 0.759 | 76% | 0.758 | S | S | * | * | | | trans | 61.7 | 160.1 | 160.8 | -78.6 | -141.4 | 0 | 0 | 0 | 118.2 | | |
| 373 | S | 26.3 | Very low | 27.7 | Very low | 118 Ų | 118 | 138.4 Ų | 138.4 | 83% | 0.825 | 75% | 0.747 | S | S | * | * | | | cis | -103.9 | 160.9 | 4.9 | -161.4 | 0 | 0 | 0 | 0 | 113.7 | | |
| 374 | S | 28.5 | Very low | 27.3 | Very low | 92 Ų | 92 | 140.9 Ų | 140.9 | 64% | 0.643 | 75% | 0.752 | S | S | * | * | | | trans | -115 | 150.8 | -175 | -145.9 | 0 | 0 | 0 | 0 | 111.6 | | |
| 375 | C | 23 | Very low | 27.2 | Very low | 120 Ų | 120 | 140.9 Ų | 140.9 | 81% | 0.811 | 76% | 0.76 | S | S | * | * | | | trans | -93.8 | 139.2 | 137.3 | -66.9 | 0 | 0 | 0 | 0 | 106.7 | | |
| 376 | D | 24.5 | Very low | 27.1 | Very low | 140 Ų | 140 | 143.1 Ų | 143.1 | 75% | 0.749 | 77% | 0.766 | S | S | * | * | | | trans | -176.9 | 156 | 143.3 | -114.5 | -16.4 | 0 | 0 | 0 | 112.9 | | |
| 377 | H | 26.6 | Very low | 26.9 | Very low | 173 Ų | 173 | 143.6 Ų | 143.6 | 80% | 0.801 | 77% | 0.77 | S | S | * | * | | | trans | 73.6 | 124.7 | 170 | -72.9 | 73.9 | 0 | 0 | 0 | 120.6 | | |
| 378 | Y | 24.1 | Very low | 26.8 | Very low | 225 Ų | 225 | 146.3 Ų | 146.3 | 88% | 0.882 | 77% | 0.774 | S | S | * | * | | | trans | -59.6 | 148.8 | 170.6 | -86 | -119.6 | 0 | 0 | 0 | 113.9 | | |
| 379 | V | 28.2 | Very low | 26.4 | Very low | 133 Ų | 133 | 141.6 Ų | 141.6 | 81% | 0.806 | 77% | 0.767 | S | S | * | * | | | trans | -136 | 143.3 | 137.2 | -180 | 0 | 0 | 0 | 0 | 109.8 | | |
| 380 | E | 25.1 | Very low | 26.3 | Very low | 177 Ų | 177 | 139.4 Ų | 139.4 | 83% | 0.827 | 77% | 0.768 | S | S | * | * | | | trans | -29 | 162.9 | -179.9 | -58.9 | 170.3 | 116.4 | 0 | 0 | 123.5 | | |
| 381 | A | 25.8 | Very low | 26.2 | Very low | 93 Ų | 93 | 140.2 Ų | 140.2 | 77% | 0.769 | 77% | 0.774 | S | S | * | * | | | trans | 74.9 | 102.1 | 146.5 | 0 | 0 | 0 | 0 | 0 | 122.9 | | |
| 382 | M | 21.6 | Very low | 26.2 | Very low | 186 Ų | 186 | 139.4 Ų | 139.4 | 92% | 0.916 | 78% | 0.777 | S | S | * | * | | | | 40.9 | 162.9 | 115.8 | -87.4 | -169.6 | 176.6 | 0 | 0 | 123.2 | | |
| 383 | P | 36.3 | Very low | 26.1 | Very low | 101 Ų | 101 | 138.2 Ų | 138.2 | 66% | 0.656 | 78% | 0.775 | S | S | * | * | | | cis | -135.8 | -172.8 | -10.7 | 36 | -14.9 | 0 | 0 | 0 | 115.4 | | |
| 384 | N | 22.8 | Very low | 26.2 | Very low | 159 Ų | 159 | 141.8 Ų | 141.8 | 85% | 0.85 | 78% | 0.775 | S | S | * | * | | | trans | 45.6 | 106.1 | 150.7 | -68.5 | -3.4 | 0 | 0 | 0 | 123 | | |
| 385 | A | 28.6 | Very low | 26.4 | Very low | 97 Ų | 97 | 143.2 Ų | 143.2 | 80% | 0.802 | 78% | 0.78 | S | S | * | * | | | trans | -160.1 | 139.4 | 130.6 | 0 | 0 | 0 | 0 | 0 | 107.4 | | |
| 386 | Q | 26.2 | Very low | 26.7 | Very low | 185 Ų | 185 | 144.4 Ų | 144.4 | 86% | 0.864 | 78% | 0.778 | S | S | * | * | | | cis | 77 | 100 | 36.5 | -68.7 | -162 | -6.7 | 0 | 0 | 116.4 | | |
| 387 | S | 23.8 | Very low | 26.9 | Very low | 112 Ų | 112 | 143.2 Ų | 143.2 | 78% | 0.783 | 78% | 0.779 | S | S | * | * | | | trans | 67.6 | 179.6 | 148.6 | -148.6 | 0 | 0 | 0 | 0 | 119.2 | | |
| 388 | M | 27.4 | Very low | 26.9 | Very low | 147 Ų | 147 | 139.7 Ų | 139.7 | 72% | 0.724 | 78% | 0.781 | S | S | * | * | | | trans | 69.2 | 117.5 | 175.6 | -45.8 | -52.2 | -75.8 | 0 | 0 | 115.5 | I390 | M388-I390 HydrophobicContact CE-CD1 4.26Š|
| 389 | G | 22.9 | Very low | 27.7 | Very low | 57 Ų | 57 | 134.6 Ų | 134.6 | 59% | 0.588 | 78% | 0.775 | S | S | * | * | | | cis | 79.3 | 135 | -3.8 | 0 | 0 | 0 | 0 | 0 | 114.5 | | |
| 390 | I | 27.2 | Very low | 27.8 | Very low | 136 Ų | 136 | 137.6 Ų | 137.6 | 70% | 0.697 | 78% | 0.78 | S | S | * | * | | | trans | 70 | 118.3 | -170.5 | -51.9 | 174.1 | 0 | 0 | 0 | 109.4 | M388 | M388-I390 HydrophobicContact CE-CD1 4.26Š|
| 391 | E | 24.7 | Very low | 28 | Very low | 172 Ų | 172 | 132.7 Ų | 132.7 | 80% | 0.804 | 77% | 0.77 | S | S | * | * | | | | 71.1 | -175.4 | 58.5 | -60.2 | -160 | 158.2 | 0 | 0 | 113.2 | | |
| 392 | D | 28.4 | Very low | 28 | Very low | 141 Ų | 141 | 139.6 Ų | 139.6 | 75% | 0.754 | 78% | 0.776 | S | S | * | * | | | trans | 73.7 | 105.9 | -157.9 | -56.9 | -21.9 | 0 | 0 | 0 | 113.4 | | |
| 393 | I | 26 | Very low | 28.3 | Very low | 139 Ų | 139 | 138 Ų | 138 | 71% | 0.713 | 77% | 0.771 | S | S | * | * | | | cis | 70.7 | 100.1 | 32.2 | -49.5 | -176.6 | 0 | 0 | 0 | 114.4 | | |
| 394 | K | 29.4 | Very low | 28 | Very low | 193 Ų | 193 | 137.7 Ų | 137.7 | 84% | 0.839 | 78% | 0.777 | S | S | * | * | | | trans | 42.2 | 100.2 | 150.4 | -65.2 | -177.6 | 177.1 | 178.2 | 0 | 119.3 | | |
| 395 | T | 32.1 | Very low | 28.4 | Very low | 121 Ų | 121 | 139.5 Ų | 139.5 | 74% | 0.742 | 78% | 0.777 | S | S | * | * | | | trans | -5.9 | 130.7 | 137.9 | 54.6 | 0 | 0 | 0 | 0 | 119.5 | | |
| 396 | N | 28.8 | Very low | 28.5 | Very low | 146 Ų | 146 | 140.4 Ų | 140.4 | 78% | 0.781 | 78% | 0.775 | S | S | * | * | | | trans | 102.8 | 125 | 134.8 | -67.4 | -0.7 | 0 | 0 | 0 | 122.1 | | |
| 397 | C | 28.2 | Very low | 28.6 | Very low | 114 Ų | 114 | 137.7 Ų | 137.7 | 77% | 0.77 | 77% | 0.771 | S | S | * | * | | | trans | 80.3 | 81.2 | 141.5 | -65.1 | 0 | 0 | 0 | 0 | 121.5 | | |
| 398 | A | 28.3 | Very low | 28.5 | Very low | 100 Ų | 100 | 140.3 Ų | 140.3 | 83% | 0.826 | 77% | 0.773 | S | S | * | * | | | | 57.5 | 152.5 | 97.3 | 0 | 0 | 0 | 0 | 0 | 121.9 | | |
| 399 | P | 41 | Very low | 28.7 | Very low | 117 Ų | 117 | 140.4 Ų | 140.4 | 76% | 0.76 | 78% | 0.781 | S | S | * | * | | | trans | -134.8 | 175 | -146.2 | 43.4 | -27 | 0 | 0 | 0 | 117.2 | | |
| 400 | Q | 30 | Very low | 28.9 | Very low | 196 Ų | 196 | 142.9 Ų | 142.9 | 92% | 0.916 | 79% | 0.79 | S | S | * | * | | | trans | 177.3 | 161.3 | 148 | -98.9 | 163.1 | 38.4 | 0 | 0 | 110 | | |
| 401 | A | 28.4 | Very low | 29 | Very low | 75 Ų | 75 | 141.5 Ų | 141.5 | 62% | 0.62 | 79% | 0.792 | S | S | * | * | | | cis | -173.9 | 148.6 | -33.4 | 0 | 0 | 0 | 0 | 0 | 111.6 | | |
| 402 | R | 26.3 | Very low | 29.3 | Very low | 238 Ų | 238 | 139.2 Ų | 139.2 | 90% | 0.898 | 79% | 0.79 | S | S | * | * | | | trans | 66.5 | 158.6 | 165.4 | -58.9 | 173.2 | -174.4 | -161.7 | 1.6 | 115.2 | | |
| 403 | L | 28 | Very low | 29.6 | Very low | 153 Ų | 153 | 138.2 Ų | 138.2 | 80% | 0.801 | 79% | 0.789 | S | S | * | * | | | cis | -154.4 | 161.7 | 2.6 | -154.8 | 71.7 | 0 | 0 | 0 | 111.3 | | |
| 404 | A | 28.7 | Very low | 29.8 | Very low | 94 Ų | 94 | 137.8 Ų | 137.8 | 78% | 0.777 | 79% | 0.788 | S | S | * | * | | | trans | 62.3 | 133.9 | 152.2 | 0 | 0 | 0 | 0 | 0 | 122.6 | | |
| 405 | K | 31.2 | Very low | 30 | Very low | 196 Ų | 196 | 136.4 Ų | 136.4 | 85% | 0.852 | 78% | 0.782 | S | S | * | * | | | trans | -94.9 | 162.8 | 162.3 | -60.1 | 178.9 | 177.9 | 178.9 | 0 | 109.8 | | |
| 406 | P | 31.8 | Very low | 30 | Very low | 117 Ų | 117 | 136.1 Ų | 136.1 | 76% | 0.76 | 78% | 0.776 | S | S | * | * | | | | -121.3 | -146.6 | 82.1 | 16.8 | 5.3 | 0 | 0 | 0 | 110.5 | | |
| 407 | T | 27.3 | Very low | 30.2 | Very low | 127 Ų | 127 | 135.2 Ų | 135.2 | 78% | 0.779 | 78% | 0.776 | S | S | * | * | | | cis | -155 | -171 | 7.3 | -31.8 | 0 | 0 | 0 | 0 | 108.9 | | |
| 408 | M | 23.5 | Very low | 30.5 | Very low | 167 Ų | 167 | 138 Ų | 138 | 82% | 0.823 | 78% | 0.778 | S | S | * | * | | | trans | -138.4 | 164.3 | 169.4 | -53 | -161.7 | -46.1 | 0 | 0 | 111.7 | | |
| 409 | V | 30.6 | Very low | 30.6 | Very low | 149 Ų | 149 | 136 Ų | 136 | 90% | 0.903 | 77% | 0.768 | S | S | * | * | | | trans | -170.2 | 156.8 | 130.7 | 142.8 | 0 | 0 | 0 | 0 | 108.2 | | |
| 410 | S | 26.4 | Very low | 30.2 | Very low | 110 Ų | 110 | 141.9 Ų | 141.9 | 77% | 0.769 | 77% | 0.774 | S | S | * | * | | | trans | -146.9 | 162.3 | -161.1 | 47.9 | 0 | 0 | 0 | 0 | 114.7 | | |
| 411 | S | 30 | Very low | 30.1 | Very low | 107 Ų | 107 | 139.3 Ų | 139.3 | 75% | 0.748 | 77% | 0.767 | S | S | * | * | | | trans | -165.8 | 143.8 | 165.2 | 53.2 | 0 | 0 | 0 | 0 | 108.6 | | |
| 412 | T | 31.9 | Very low | 30.2 | Very low | 123 Ų | 123 | 143.4 Ų | 143.4 | 76% | 0.755 | 78% | 0.779 | S | S | * | * | | | cis | -158.7 | 157.6 | -4.6 | 6.8 | 0 | 0 | 0 | 0 | 109.6 | | |
| 413 | T | 33.9 | Very low | 30.5 | Very low | 121 Ų | 121 | 138.2 Ų | 138.2 | 74% | 0.742 | 77% | 0.769 | S | S | * | * | | | trans | 52.8 | 119.2 | 162.6 | 58.2 | 0 | 0 | 0 | 0 | 118.5 | | |
| 414 | D | 29.7 | Very low | 30.4 | Very low | 129 Ų | 129 | 137.9 Ų | 137.9 | 69% | 0.69 | 77% | 0.767 | S | S | * | * | | | cis | -169.3 | -170.2 | -9.5 | -119.6 | -51.8 | 0 | 0 | 0 | 107.2 | | |
| 415 | F | 34.1 | Very low | 30.4 | Very low | 164 Ų | 164 | 144 Ų | 144 | 72% | 0.719 | 77% | 0.77 | S | S | * | * | | | cis | -155.5 | -169.9 | 12.5 | -139 | -10.9 | 0 | 0 | 0 | 113.3 | | |
| 416 | N | 31.2 | Very low | 30.2 | Very low | 115 Ų | 115 | 140.4 Ų | 140.4 | 62% | 0.615 | 77% | 0.765 | S | S | * | * | | | trans | -34 | 148.9 | 164.3 | -65.4 | -18.1 | 0 | 0 | 0 | 116.5 | | |
| 417 | T | 33.5 | Very low | 29.9 | Very low | 127 Ų | 127 | 142.4 Ų | 142.4 | 78% | 0.779 | 77% | 0.768 | S | S | * | * | | | cis | -176 | 168.2 | 0.2 | 23.4 | 0 | 0 | 0 | 0 | 107.2 | | |
| 418 | Q | 33.8 | Very low | 30 | Very low | 172 Ų | 172 | 142.9 Ų | 142.9 | 80% | 0.804 | 77% | 0.765 | S | S | * | * | | | cis | -171.7 | 149.8 | -13 | 162.2 | 62.6 | -43 | 0 | 0 | 107.9 | | |
| 419 | G | 31.7 | Very low | 30.3 | Very low | 59 Ų | 59 | 141.3 Ų | 141.3 | 61% | 0.608 | 76% | 0.76 | S | S | * | * | | | trans | 75.9 | 104.9 | 168.9 | 0 | 0 | 0 | 0 | 0 | 114.8 | | |
| 420 | R | 31.9 | Very low | 30 | Very low | 240 Ų | 240 | 139.2 Ų | 139.2 | 91% | 0.906 | 75% | 0.752 | S | S | * | * | | | cis | 84.6 | 133.4 | 29.2 | -146.8 | -178.8 | -158.1 | -164.9 | 5.4 | 114.2 | | |
| 421 | N | 27.5 | Very low | 30.1 | Very low | 143 Ų | 143 | 145.7 Ų | 145.7 | 77% | 0.765 | 76% | 0.76 | S | S | * | * | | | trans | -76 | 169.5 | -173.3 | -44.6 | -48.9 | 0 | 0 | 0 | 113.2 | | |
| 422 | D | 31.9 | Very low | 30.1 | Very low | 161 Ų | 161 | 146.8 Ų | 146.8 | 86% | 0.861 | 76% | 0.757 | S | S | * | * | | | | 175.7 | 161.9 | 127.2 | -80.8 | -17.3 | 0 | 0 | 0 | 109 | | |
| 423 | D | 30.9 | Very low | 30.2 | Very low | 128 Ų | 128 | 146.5 Ų | 146.5 | 68% | 0.684 | 76% | 0.757 | S | S | * | * | | | | -161 | 147.5 | -51.9 | -157.1 | 16.1 | 0 | 0 | 0 | 109.9 | | |
| 424 | L | 26.5 | Very low | 29.9 | Very low | 146 Ų | 146 | 150.9 Ų | 150.9 | 76% | 0.764 | 76% | 0.76 | S | S | * | * | | | trans | 61.1 | 161.3 | 158.1 | -68.7 | 165.5 | 0 | 0 | 0 | 124.5 | | |
| 425 | R | 28.5 | Very low | 29.8 | Very low | 222 Ų | 222 | 150.6 Ų | 150.6 | 84% | 0.838 | 76% | 0.759 | S | S | * | * | | | trans | 82.4 | 86.9 | 158.9 | -76.2 | -178 | 174.6 | 167.1 | 0.4 | 122.8 | | |
| 426 | T | 28.3 | Very low | 29.6 | Very low | 122 Ų | 122 | 148.1 Ų | 148.1 | 75% | 0.748 | 75% | 0.753 | S | S | * | * | | | | 39.4 | 139.9 | 110.8 | 62.6 | 0 | 0 | 0 | 0 | 122.9 | | |
| 427 | L | 24.5 | Very low | 29.5 | Very low | 158 Ų | 158 | 149.4 Ų | 149.4 | 83% | 0.827 | 76% | 0.76 | S | S | * | * | | | trans | 108 | 146.4 | 149 | -73.5 | 176.8 | 0 | 0 | 0 | 120 | | |
| 428 | L | 30.7 | Very low | 29 | Very low | 137 Ų | 137 | 148.7 Ų | 148.7 | 72% | 0.717 | 76% | 0.76 | S | S | * | * | | | trans | 77.3 | 113.8 | 154.8 | -72 | 157.7 | 0 | 0 | 0 | 121.3 | | |
| 429 | N | 27.8 | Very low | 29.4 | Very low | 134 Ų | 134 | 146.2 Ų | 146.2 | 72% | 0.717 | 76% | 0.759 | S | S | * | * | | | | 52.6 | 102.7 | 127.8 | -65.1 | 2.1 | 0 | 0 | 0 | 120.7 | | |
| 430 | S | 24.6 | Very low | 29.3 | Very low | 105 Ų | 105 | 148.8 Ų | 148.8 | 73% | 0.734 | 76% | 0.763 | S | S | * | * | | | | 36.7 | 117.2 | 124.2 | 55.9 | 0 | 0 | 0 | 0 | 119.8 | | |
| 431 | R | 29.8 | Very low | 29 | Very low | 247 Ų | 247 | 140.4 Ų | 140.4 | 93% | 0.932 | 73% | 0.731 | S | S | * | * | | | trans | -143.3 | 113.8 | 136.3 | -114.3 | 166.4 | -166.4 | -171.6 | 2.5 | 113.1 | | |
| 432 | N | 29.5 | Very low | 29 | Very low | 129 Ų | 129 | 138.1 Ų | 138.1 | 69% | 0.69 | 71% | 0.712 | S | S | * | * | | | trans | -48.9 | 151.5 | 159.4 | -79.3 | -13.8 | 0 | 0 | 0 | 111.1 | | |
| 433 | P | 33.2 | Very low | 28.8 | Very low | 118 Ų | 118 | 134.1 Ų | 134.1 | 77% | 0.766 | 69% | 0.69 | S | S | * | * | | | | -94.1 | 134.2 | 85.7 | 28 | -36.3 | 0 | 0 | 0 | 111.1 | | |
| 434 | R | 28.7 | Very low | 28.6 | Very low | 212 Ų | 212 | 134.5 Ų | 134.5 | 80% | 0.8 | 69% | 0.691 | S | S | * | * | | | | 59.6 | 122 | 56.3 | -79.3 | -170.6 | 163.7 | -177 | -4 | 111.6 | | |
| 435 | N | 28 | Very low | 29.4 | Very low | 124 Ų | 124 | 132.9 Ų | 132.9 | 66% | 0.663 | 69% | 0.689 | S | S | * | * | | | cis | -167.2 | 177.3 | -7.3 | -133.6 | 50.7 | 0 | 0 | 0 | 108.6 | | |
| 436 | N | 29.8 | Very low | 29.7 | Very low | 112 Ų | 112 | 127.7 Ų | 127.7 | 60% | 0.599 | 68% | 0.684 | S | S | * | * | | | trans | 74.6 | 121.9 | 155.2 | -74.7 | 52.1 | 0 | 0 | 0 | 120.8 | | |
| 437 | D | 29.4 | Very low | 29.8 | Very low | 141 Ų | 141 | 128.2 Ų | 128.2 | 75% | 0.754 | 69% | 0.688 | S | S | * | * | | | | 80.3 | 122.1 | 124.8 | -50 | -14.4 | 0 | 0 | 0 | 123.1 | | |
| 438 | S | 22.9 | Very low | 30 | Very low | 113 Ų | 113 | 123.8 Ų | 123.8 | 79% | 0.79 | 68% | 0.68 | S | S | * | * | | | trans | -98.5 | 169.8 | 154.4 | -69 | 0 | 0 | 0 | 0 | 109.1 | | |
| 439 | P | 41.7 | Very low | 30.2 | Very low | 119 Ų | 119 | 123.1 Ų | 123.1 | 77% | 0.773 | 68% | 0.677 | S | S | * | * | | | cis | -130.3 | -127.3 | -23.8 | 37.5 | -18.8 | 0 | 0 | 0 | 110.4 | | |
| 440 | V | 30.3 | Very low | 30.6 | Very low | 113 Ų | 113 | 125.2 Ų | 125.2 | 69% | 0.685 | 68% | 0.68 | S | S | * | * | | | trans | 87.4 | 129.2 | 172.9 | -173 | 0 | 0 | 0 | 0 | 115.9 | | |
| 441 | R | 25.3 | Very low | 31.2 | Very low | 65 Ų | 65 | 127 Ų | 127 | 25% | 0.245 | 68% | 0.679 | C | S | . | * | | | trans | -82.9 | 167.8 | -179.9 | -56.5 | 117.4 | 140.8 | -60.9 | -0.5 | 110.8 | H1280 E1283 S1284 | R441-H1280 PolarHBondContact NH2-O 2.79Å; R441-E1283 WeakPolarHBondContact CD-O 3.47Å; R441-E1283 WeakPolarHBondContact CD-OE2 3.41Å; R441-E1283 VanDerWaalsContact CZ-O 3.29Å; R441-E1283 IonicContact CZ-OE2 3Å; R441-E1283 PolarHBondContact NE-O 3.25Å; R441-E1283 IonicContact NE-OE2 2.69Å; R441-E1283 PolarHBondContact NE-OE2 3.26Å; R441-E1283 PolarHBondContact NH1-O 2.76Å; R441-E1283 IonicContact NH2-OE2 2.69Å; R441-E1283 PolarHBondContact NH2-OE2 2.74Å; R441-S1284 PolarHBondContact NH1-OG 2.96Å |
| 442 | R | 26 | Very low | 31.3 | Very low | 95 Ų | 95 | 120.5 Ų | 120.5 | 36% | 0.358 | 67% | 0.672 | S | S | . | * | | | | 147.1 | 154.7 | 118 | -82.6 | 133.7 | 173.6 | -160 | -16.9 | 116 | E1283 N1285 D1286 | R442-E1283 PolarHBondContact NE-O 2.96Å; R442-N1285 WeakPolarHBondContact CD-O 3.22Å; R442-N1285 PolarHBondContact NE-O 3.11Å; R442-N1285 PolarHBondContact NH1-O 2.8Å; R442-N1285 PolarHBondContact NH2-O 3.38Å; R442-D1286 VanDerWaalsContact CD-C 3.49Å; R442-D1286 WeakPolarHBondContact CD-O 3.4Å; R442-D1286 PolarHBondContact NH1-O 3.36Å |
| 443 | N | 28.8 | Very low | 31.4 | Very low | 76 Ų | 76 | 117.7 Ų | 117.7 | 41% | 0.406 | 67% | 0.674 | S | S | . | * | | | trans | 74.4 | 93.9 | 159.3 | -65.5 | 9.7 | 0 | 0 | 0 | 120.7 | V1287 | N443-V1287 VanDerWaalsContact ND2-CG2 3.31Å; N443-V1287 WeakPolarHBondContact ND2-CG2 3.22Å |
| 444 | I | 27.5 | Very low | 31.4 | Very low | 136 Ų | 136 | 116.5 Ų | 116.5 | 70% | 0.697 | 67% | 0.668 | S | S | * | * | | | | 64.1 | 124.3 | 114.7 | -64.2 | 157.6 | 0 | 0 | 0 | 118.8 | | |
| 445 | P | 43.1 | Very low | 31.4 | Very low | 113 Ų | 113 | 113.1 Ų | 113.1 | 73% | 0.734 | 67% | 0.666 | S | S | * | * | | | trans | -87.3 | 175.4 | 177 | 40.3 | -38.8 | 0 | 0 | 0 | 112.7 | | |
| 446 | P | 34.8 | Very low | 31.5 | Very low | 113 Ų | 113 | 112.7 Ų | 112.7 | 73% | 0.734 | 67% | 0.668 | S | S | * | * | | | | -147.4 | 170.5 | 98 | 41 | -26.2 | 0 | 0 | 0 | 116.2 | | |
| 447 | T | 29.2 | Very low | 31.5 | Very low | 133 Ų | 133 | 112.1 Ų | 112.1 | 82% | 0.816 | 67% | 0.673 | S | S | * | * | | | trans | 15.7 | 131.3 | 151.8 | 58.3 | 0 | 0 | 0 | 0 | 120 | | |
| 448 | G | 28.1 | Very low | 31.5 | Very low | 65 Ų | 65 | 111.4 Ų | 111.4 | 67% | 0.67 | 67% | 0.669 | S | S | * | * | | | cis | 102.5 | 148.6 | 11.7 | 0 | 0 | 0 | 0 | 0 | 113.7 | | |
| 449 | N | 35.9 | Very low | 31.8 | Very low | 123 Ų | 123 | 113.1 Ų | 113.1 | 66% | 0.658 | 66% | 0.664 | S | S | * | * | | | trans | -163.3 | 124.4 | 164.1 | -92.7 | -34.3 | 0 | 0 | 0 | 108.6 | | |
| 450 | K | 36.3 | Very low | 30.9 | Very low | 178 Ų | 178 | 116 Ų | 116 | 77% | 0.774 | 67% | 0.672 | S | S | * | * | | | | 76.8 | 163.4 | 77.7 | -71.5 | -169.7 | -159.1 | 116.9 | 0 | 111.9 | | |
| 451 | I | 36.6 | Very low | 30.8 | Very low | 141 Ų | 141 | 118.4 Ų | 118.4 | 72% | 0.723 | 67% | 0.674 | S | S | * | * | | | cis | -126.2 | 122.9 | 13.7 | -78.6 | 80.3 | 0 | 0 | 0 | 107.4 | | |
| 452 | S | 32.2 | Very low | 31 | Very low | 112 Ų | 112 | 122.9 Ų | 122.9 | 78% | 0.783 | 70% | 0.702 | S | S | * | * | | | | 65.3 | 141.9 | 98.6 | -144.2 | 0 | 0 | 0 | 0 | 115.5 | | |
| 453 | G | 30.8 | Very low | 30.8 | Very low | 70 Ų | 70 | 126.3 Ų | 126.3 | 72% | 0.722 | 73% | 0.726 | S | S | * | * | | | cis | -174.4 | -160.9 | 3.7 | 0 | 0 | 0 | 0 | 0 | 111 | | |
| 454 | S | 33.5 | Very low | 30.7 | Very low | 92 Ų | 92 | 133.9 Ų | 133.9 | 64% | 0.643 | 75% | 0.749 | S | S | * | * | | | cis | -164.7 | 149 | 3.5 | 59.7 | 0 | 0 | 0 | 0 | 112.9 | | |
| 455 | N | 28.7 | Very low | 30.5 | Very low | 142 Ų | 142 | 131.8 Ų | 131.8 | 76% | 0.759 | 75% | 0.747 | S | S | * | * | | | trans | 93.2 | 139.8 | 148.1 | -59.7 | -18.6 | 0 | 0 | 0 | 118.7 | | |
| 456 | T | 31 | Very low | 29.7 | Very low | 115 Ų | 115 | 132.4 Ų | 132.4 | 71% | 0.706 | 75% | 0.753 | S | S | * | * | | | cis | -159.3 | 148.7 | -1.7 | 6.6 | 0 | 0 | 0 | 0 | 111.4 | | |
| 457 | S | 30 | Very low | 29.1 | Very low | 99 Ų | 99 | 137.3 Ų | 137.3 | 69% | 0.692 | 76% | 0.764 | S | S | * | * | | | trans | 62.3 | 146 | 147.4 | -69.1 | 0 | 0 | 0 | 0 | 120.9 | | |
| 458 | D | 29 | Very low | 29.1 | Very low | 127 Ų | 127 | 137 Ų | 137 | 68% | 0.679 | 77% | 0.766 | S | S | * | * | | | cis | -161.3 | 166.3 | -16.5 | -124.1 | -60.1 | 0 | 0 | 0 | 113.8 | | |
| 459 | Q | 28.8 | Very low | 28.9 | Very low | 149 Ų | 149 | 137.1 Ų | 137.1 | 70% | 0.696 | 77% | 0.768 | S | S | * | * | | | trans | 51.8 | 114.2 | 157.9 | -68.6 | -179.9 | 81 | 0 | 0 | 121.5 | | |
| 460 | L | 22.7 | Very low | 28.5 | Very low | 179 Ų | 179 | 137.1 Ų | 137.1 | 94% | 0.937 | 77% | 0.773 | S | S | * | * | | | trans | -100.8 | 108.2 | 143.9 | -107.4 | 172.5 | 0 | 0 | 0 | 109.8 | | |
| 461 | K | 29.4 | Very low | 28 | Very low | 164 Ų | 164 | 136.5 Ų | 136.5 | 71% | 0.713 | 78% | 0.778 | S | S | * | * | | | trans | -149.8 | 107.7 | 167.3 | -83.4 | -173 | 178.8 | 173.6 | 0 | 111.3 | | |
| 462 | N | 28.1 | Very low | 27.6 | Very low | 158 Ų | 158 | 136.7 Ų | 136.7 | 85% | 0.845 | 78% | 0.781 | S | S | * | * | | | | -178.7 | 144.8 | 106.4 | -97.1 | -30 | 0 | 0 | 0 | 113.5 | | |
| 463 | I | 22.7 | Very low | 27.5 | Very low | 167 Ų | 167 | 136.1 Ų | 136.1 | 86% | 0.856 | 77% | 0.766 | S | S | * | * | | | trans | -86.4 | 118.5 | 161.2 | -65.1 | 159.6 | 0 | 0 | 0 | 107.4 | | |
| 464 | R | 25.8 | Very low | 27.4 | Very low | 235 Ų | 235 | 139.4 Ų | 139.4 | 89% | 0.887 | 77% | 0.767 | S | S | * | * | | | trans | -161.6 | 146.2 | 138.1 | -121.5 | 179.4 | -179.9 | -169.1 | -1 | 114.6 | | |
| 465 | S | 23.4 | Very low | 27.1 | Very low | 93 Ų | 93 | 142.9 Ų | 142.9 | 65% | 0.65 | 77% | 0.767 | S | S | * | * | | | trans | -53.6 | 139.7 | 170.9 | 51 | 0 | 0 | 0 | 0 | 114.3 | | |
| 466 | S | 26.4 | Very low | 27.2 | Very low | 125 Ų | 125 | 143.1 Ų | 143.1 | 87% | 0.874 | 76% | 0.761 | S | S | * | * | | | trans | -145.4 | 122.7 | 148.3 | -76.9 | 0 | 0 | 0 | 0 | 108.8 | | |
| 467 | F | 23.3 | Very low | 27.1 | Very low | 217 Ų | 217 | 145.3 Ų | 145.3 | 95% | 0.952 | 76% | 0.756 | S | S | * | * | | | trans | -78.7 | 119 | 176.6 | -93.1 | -111.9 | 0 | 0 | 0 | 110.1 | | |
| 468 | S | 28.1 | Very low | 27.1 | Very low | 125 Ų | 125 | 143.6 Ų | 143.6 | 87% | 0.874 | 74% | 0.739 | S | S | * | * | | | trans | -168.4 | 135.1 | 149 | -170.6 | 0 | 0 | 0 | 0 | 109.6 | | |
| 469 | G | 24.7 | Very low | 27.1 | Very low | 69 Ų | 69 | 145 Ų | 145 | 71% | 0.711 | 74% | 0.742 | S | S | * | * | | | cis | 160.7 | 4.9 | -0.8 | 0 | 0 | 0 | 0 | 0 | 117.3 | | |
| 470 | T | 28.2 | Very low | 27.3 | Very low | 123 Ų | 123 | 142.2 Ų | 142.2 | 76% | 0.755 | 73% | 0.731 | S | S | * | * | | | trans | -139.5 | 122.1 | 179.4 | 51.1 | 0 | 0 | 0 | 0 | 112.7 | N472 | T470-N472 PolarHBondContact O-N 3.14Š|
| 471 | N | 25 | Very low | 27.5 | Very low | 164 Ų | 164 | 139.2 Ų | 139.2 | 88% | 0.877 | 72% | 0.721 | S | S | * | * | | | trans | -75.5 | 105.9 | 170.4 | -73.4 | -28.8 | 0 | 0 | 0 | 110.3 | Q473 | N471-Q473 PolarHBondContact O-N 3.46Š|
| 472 | N | 28.4 | Very low | 27.7 | Very low | 146 Ų | 146 | 135.3 Ų | 135.3 | 78% | 0.781 | 72% | 0.715 | S | S | * | * | | | trans | -82 | 103.9 | 159 | -84.6 | 2.1 | 0 | 0 | 0 | 108.7 | T470 N474 | T470-N472 PolarHBondContact O-N 3.14Å; N472-N474 PolarHBondContact O-N 3.22Å |
| 473 | Q | 29.1 | Very low | 28.1 | Very low | 100 Ų | 100 | 131.4 Ų | 131.4 | 47% | 0.467 | 70% | 0.697 | S | S | . | * | | | trans | -63.7 | 130.4 | 165.2 | -70.3 | 180 | -20.6 | 0 | 0 | 108.8 | N471 Y475 | N471-Q473 PolarHBondContact O-N 3.46Å; Q473-Y475 VanDerWaalsContact C-N 3.3Å; Q473-Y475 HydrophobicContact CB-CD2 4.26Å; Q473-Y475 HydrophobicContact CB-CE2 3.91Å; Q473-Y475 VanDerWaalsContact O-CD2 3.23Å; Q473-Y475 WeakPolarHBondContact O-CD2 3.45Å; Q473-Y475 PolarHBondContact O-N 3.01Å; Q473-Y475 PolarHBondContact OE1-OH 3.28Å |
| 474 | N | 29.2 | Very low | 28.6 | Very low | 139 Ų | 139 | 132.7 Ų | 132.7 | 74% | 0.743 | 69% | 0.691 | S | S | * | * | | | trans | -76.9 | 80.6 | 177.6 | -81.8 | -18.3 | 0 | 0 | 0 | 110.4 | N472 F476 | N472-N474 PolarHBondContact O-N 3.22Å; N474-F476 HydrophobicContact CB-CE2 4.23Å; N474-F476 WeakPolarHBondContact O-CD2 3.47Å; N474-F476 PolarHBondContact O-N 2.9Å |
| 475 | Y | 27.8 | Very low | 28.8 | Very low | 165 Ų | 165 | 125.3 Ų | 125.3 | 65% | 0.647 | 68% | 0.68 | S | S | * | * | | | trans | -63 | 101.4 | 172.4 | -67.9 | -83.8 | 0 | 0 | 0 | 110.9 | Q473 R477 | Q473-Y475 VanDerWaalsContact C-N 3.3Å; Q473-Y475 HydrophobicContact CB-CD2 4.26Å; Q473-Y475 HydrophobicContact CB-CE2 3.91Å; Q473-Y475 VanDerWaalsContact O-CD2 3.23Å; Q473-Y475 WeakPolarHBondContact O-CD2 3.45Å; Q473-Y475 PolarHBondContact O-N 3.01Å; Q473-Y475 PolarHBondContact OE1-OH 3.28Å; Y475-R477 PolarHBondContact O-N 3.05Å |
| 476 | F | 31.2 | Very low | 29 | Very low | 146 Ų | 146 | 127.6 Ų | 127.6 | 64% | 0.64 | 68% | 0.684 | S | S | * | * | | | trans | -76.4 | 91.1 | 176.1 | -81.1 | -79.9 | 0 | 0 | 0 | 111.3 | N474 I478 | N474-F476 HydrophobicContact CB-CE2 4.23Å; N474-F476 WeakPolarHBondContact O-CD2 3.47Å; N474-F476 PolarHBondContact O-N 2.9Å; F476-I478 PolarHBondContact O-N 3.07Å; F476-I478 VanDerWaalsContact O-N 3.08Å |
| 477 | R | 29 | Very low | 29.1 | Very low | 161 Ų | 161 | 127.1 Ų | 127.1 | 61% | 0.608 | 68% | 0.68 | S | S | * | * | | | trans | -66.7 | 104.8 | 176.2 | -166.2 | -177.2 | -167.3 | -165.9 | 6.4 | 111.3 | Y475 Q479 S517 | Y475-R477 PolarHBondContact O-N 3.05Å; R477-Q479 PolarHBondContact O-N 2.98Å; R477-S517 PolarHBondContact NH2-OG 2.77Å |
| 478 | I | 29.3 | Very low | 29.4 | Very low | 64 Ų | 64 | 123.1 Ų | 123.1 | 33% | 0.328 | 66% | 0.659 | S | S | . | * | | | trans | -79.1 | 104.8 | 171.4 | -61.3 | 178.3 | 0 | 0 | 0 | 108.5 | F476 I480 L1256 L1260 | F476-I478 PolarHBondContact O-N 3.07Å; F476-I478 VanDerWaalsContact O-N 3.08Å; I478-I480 PolarHBondContact O-N 3.19Å; I478-I480 VanDerWaalsContact O-N 3.12Å; I478-L1256 HydrophobicContact CG2-CD1 3.96Å; I478-L1260 HydrophobicContact CD1-CD2 3.8Å |
| 479 | Q | 29.9 | Very low | 29.6 | Very low | 157 Ų | 157 | 123.1 Ų | 123.1 | 73% | 0.734 | 66% | 0.656 | S | S | * | * | | | trans | -82.9 | 89.6 | -179.9 | -171.6 | 164.7 | -14.2 | 0 | 0 | 110.9 | R477 | R477-Q479 PolarHBondContact O-N 2.98Š|
| 480 | I | 31.4 | Very low | 30 | Very low | 90 Ų | 90 | 130.3 Ų | 130.3 | 46% | 0.462 | 67% | 0.667 | S | S | . | * | P | Polyproline II helix | trans | -57 | 136.7 | 168.5 | -54.7 | -177.4 | 0 | 0 | 0 | 108.8 | I478 S482 W518 | I478-I480 PolarHBondContact O-N 3.19Å; I478-I480 VanDerWaalsContact O-N 3.12Å; I480-S482 PolarHBondContact O-N 3.47Å; I480-W518 HydrophobicContact CD1-CB 3.93Å; I480-W518 HydrophobicContact CD1-CG 4.15Å |
| 481 | P | 27.1 | Very low | 30.1 | Very low | 115 Ų | 115 | 127.6 Ų | 127.6 | 75% | 0.747 | 66% | 0.664 | S | S | * | * | P | Polyproline II helix | trans | -54.4 | 121.5 | 176.9 | -27.2 | 35.6 | 0 | 0 | 0 | 111.9 | | |
| 482 | S | 34.2 | Very low | 30.6 | Very low | 83 Ų | 83 | 128.8 Ų | 128.8 | 58% | 0.58 | 66% | 0.662 | S | S | * | * | P | Polyproline II helix | trans | -71.6 | 138.2 | 175.6 | -174.4 | 0 | 0 | 0 | 0 | 110.2 | I480 R484 | I480-S482 PolarHBondContact O-N 3.47Å; S482-R484 PolarHBondContact O-N 3.34Å; S482-R484 WeakPolarHBondContact OG-CB 3.41Å; S482-R484 PolarHBondContact OG-N 2.99Å |
| 483 | T | 36.8 | Very low | 30.8 | Very low | 75 Ų | 75 | 127 Ų | 127 | 46% | 0.46 | 67% | 0.667 | S | S | . | * | | | trans | -65.8 | -10.9 | 171.5 | 47.9 | 0 | 0 | 0 | 0 | 113.3 | E502 | T483-E502 VanDerWaalsContact CB-OE2 3.31Å; T483-E502 WeakPolarHBondContact CB-OE2 3.34Å; T483-E502 WeakPolarHBondContact CG2-OE2 3.46Å; T483-E502 PolarHBondContact OG1-OE2 3.45Å |
| 484 | R | 32.9 | Very low | 31 | Very low | 195 Ų | 195 | 126.1 Ų | 126.1 | 74% | 0.736 | 66% | 0.664 | S | S | * | * | S | Bend | trans | -67.8 | 129.9 | -175.4 | -151.5 | 173.2 | -158.9 | -151.1 | 2.5 | 111.6 | S482 I486 | S482-R484 PolarHBondContact O-N 3.34Å; S482-R484 WeakPolarHBondContact OG-CB 3.41Å; S482-R484 PolarHBondContact OG-N 2.99Å; R484-I486 PolarHBondContact O-N 3.09Å |
| 485 | A | 29.4 | Very low | 31.6 | Very low | 80 Ų | 80 | 121.6 Ų | 121.6 | 66% | 0.661 | 64% | 0.642 | S | S | * | * | S | Bend | trans | -74.4 | 34.8 | -161.6 | 0 | 0 | 0 | 0 | 0 | 117.3 | | |
| 486 | I | 26.9 | Very low | 32.2 | Very low | 140 Ų | 140 | 119.9 Ų | 119.9 | 72% | 0.718 | 64% | 0.644 | S | S | * | * | S | Bend | trans | -109.3 | 125.9 | 176.3 | -61.9 | 175.1 | 0 | 0 | 0 | 108.2 | R484 | R484-I486 PolarHBondContact O-N 3.09Š|
| 487 | S | 28.9 | Very low | 32.6 | Very low | 115 Ų | 115 | 114.6 Ų | 114.6 | 80% | 0.804 | 63% | 0.625 | S | S | * | * | | | trans | 67.3 | 104.5 | -163.8 | 74.7 | 0 | 0 | 0 | 0 | 114.7 | | |
| 488 | R | 30.7 | Very low | 33.1 | Very low | 134 Ų | 134 | 110.6 Ų | 110.6 | 51% | 0.506 | 62% | 0.615 | S | S | . | * | | | trans | -142.1 | 124.7 | 160.3 | -69.9 | -168.1 | -174.2 | -171.8 | 4.9 | 108.8 | T495 | R488-T495 PolarHBondContact NH1-OG1 3.36Å; R488-T495 PolarHBondContact NH2-OG1 3.45Å |
| 489 | P | 31.1 | Very low | 34 | Very low | 124 Ų | 124 | 113 Ų | 113 | 81% | 0.805 | 62% | 0.623 | S | S | * | * | | | trans | -64.7 | 150.8 | 165.4 | -18.5 | 32.3 | 0 | 0 | 0 | 110.8 | G491 | P489-G491 PolarHBondContact O-N 2.85Š|
| 490 | K | 33.7 | Very low | 34.7 | Very low | 220 Ų | 220 | 111 Ų | 111 | 96% | 0.957 | 62% | 0.617 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -66.8 | 114.5 | 167.9 | -70.7 | 179 | 177.8 | 177.3 | 0 | 108.4 | | |
| 491 | G | 31.1 | Very low | 35.2 | Very low | 67 Ų | 67 | 113.1 Ų | 113.1 | 69% | 0.691 | 62% | 0.62 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 178.5 | -52.8 | 177.2 | 0 | 0 | 0 | 0 | 0 | 114.9 | P489 | P489-G491 PolarHBondContact O-N 2.85Š|
| 492 | F | 33.9 | Very low | 36.5 | Very low | 188 Ų | 188 | 110.1 Ų | 110.1 | 83% | 0.825 | 60% | 0.596 | S | S | * | * | | | trans | -122.9 | 118.5 | -172.6 | -73.9 | -90 | 0 | 0 | 0 | 112.9 | | |
| 493 | A | 33.4 | Very low | 37.3 | Very low | 108 Ų | 108 | 110 Ų | 110 | 89% | 0.893 | 59% | 0.586 | S | S | * | * | | | trans | -105.5 | 84.8 | 175 | 0 | 0 | 0 | 0 | 0 | 109.8 | | |
| 494 | M | 34.1 | Very low | 38.3 | Very low | 83 Ų | 83 | 112.7 Ų | 112.7 | 41% | 0.409 | 59% | 0.594 | S | S | . | * | | | trans | -152.6 | 60.5 | -171 | -158.2 | 175.3 | -158.8 | 0 | 0 | 111.7 | E1244 Y1245 | M494-E1244 HydrophobicContact CE-CB 4.2Å; M494-Y1245 HydrophobicContact CG-CE1 4.25Å |
| 495 | T | 40.7 | Very low | 39.3 | Very low | 44 Ų | 44 | 109 Ų | 109 | 27% | 0.27 | 59% | 0.588 | S | S | . | * | | | trans | -136.1 | -15.2 | -172.2 | 59.5 | 0 | 0 | 0 | 0 | 118.1 | R488 S497 L498 K499 | R488-T495 PolarHBondContact NH1-OG1 3.36Å; R488-T495 PolarHBondContact NH2-OG1 3.45Å; T495-S497 PolarHBondContact O-N 3.48Å; T495-L498 PolarHBondContact O-N 3.25Å; T495-K499 PolarHBondContact O-N 3.49Å |
| 496 | D | 39.9 | Very low | 40.5 | Very low | 128 Ų | 128 | 106.7 Ų | 106.7 | 68% | 0.684 | 56% | 0.563 | S | S | * | * | H | α-helix | trans | -74.3 | -32.9 | -166.2 | -64.7 | 1.5 | 0 | 0 | 0 | 111.8 | L498 K499 L500 | D496-L498 VanDerWaalsContact C-N 3.35Å; D496-L498 PolarHBondContact O-N 2.98Å; D496-K499 WeakPolarHBondContact O-CB 3.47Å; D496-K499 PolarHBondContact O-N 2.95Å; D496-L500 PolarHBondContact O-N 3.48Å |
| 497 | S | 40 | Very low | 41.6 | Very low | 36 Ų | 36 | 103.5 Ų | 103.5 | 25% | 0.252 | 55% | 0.552 | S | S | . | * | H | α-helix | trans | -66.3 | -31.7 | 173.1 | -48.8 | 0 | 0 | 0 | 0 | 113.4 | T495 K499 L500 Y501 Y1245 | T495-S497 PolarHBondContact O-N 3.48Å; S497-K499 VanDerWaalsContact C-N 3.31Å; S497-K499 PolarHBondContact O-N 3.22Å; S497-L500 PolarHBondContact O-N 2.9Å; S497-Y501 WeakPolarHBondContact O-CD2 3.28Å; S497-Y501 PolarHBondContact O-N 3.34Å; S497-Y1245 PolarHBondContact OG-OH 3.35Å |
| 498 | L | 40.6 | Very low | 42.7 | Very low | 76 Ų | 76 | 106.3 Ų | 106.3 | 40% | 0.398 | 55% | 0.553 | S | S | . | * | H | α-helix | trans | -67.4 | -33.7 | 175 | -99 | 169.8 | 0 | 0 | 0 | 111.9 | T495 D496 L500 Y501 E502 | T495-L498 PolarHBondContact O-N 3.25Å; D496-L498 VanDerWaalsContact C-N 3.35Å; D496-L498 PolarHBondContact O-N 2.98Å; L498-L500 VanDerWaalsContact C-N 3.31Å; L498-L500 PolarHBondContact O-N 3.05Å; L498-Y501 PolarHBondContact O-N 3.21Å; L498-E502 PolarHBondContact O-N 2.91Å |
| 499 | K | 46.8 | Very low | 43.2 | Very low | 115 Ų | 115 | 102.5 Ų | 102.5 | 50% | 0.5 | 55% | 0.546 | S | S | . | . | H | α-helix | trans | -65.4 | -34.3 | 175.3 | -167.5 | 175.1 | -177.7 | -87.2 | 0 | 111.9 | T495 D496 S497 E502 E503 | T495-K499 PolarHBondContact O-N 3.49Å; D496-K499 WeakPolarHBondContact O-CB 3.47Å; D496-K499 PolarHBondContact O-N 2.95Å; S497-K499 VanDerWaalsContact C-N 3.31Å; S497-K499 PolarHBondContact O-N 3.22Å; K499-E502 PolarHBondContact O-N 3.33Å; K499-E503 VanDerWaalsContact CE-OE1 3.32Å; K499-E503 WeakPolarHBondContact CE-OE1 3.29Å; K499-E503 IonicContact NZ-OE1 3.4Å; K499-E503 PolarHBondContact NZ-OE1 2.84Å; K499-E503 WeakPolarHBondContact O-CB 3.45Å; K499-E503 WeakPolarHBondContact O-CG 3.43Å; K499-E503 PolarHBondContact O-N 2.9Å |
| 500 | L | 45.5 | Very low | 44 | Very low | 114 Ų | 114 | 102.7 Ų | 102.7 | 60% | 0.597 | 54% | 0.536 | S | S | * | . | H | α-helix | trans | -64.3 | -40.1 | 174.5 | -68.2 | 172 | 0 | 0 | 0 | 112.2 | D496 S497 L498 E503 Q504 | D496-L500 PolarHBondContact O-N 3.48Å; S497-L500 PolarHBondContact O-N 2.9Å; L498-L500 VanDerWaalsContact C-N 3.31Å; L498-L500 PolarHBondContact O-N 3.05Å; L500-E503 PolarHBondContact O-N 3.1Å; L500-Q504 WeakPolarHBondContact O-CB 3.41Å; L500-Q504 WeakPolarHBondContact O-CG 3.31Å; L500-Q504 PolarHBondContact O-N 3.19Å |
| 501 | Y | 42.5 | Very low | 44.6 | Very low | 135 Ų | 135 | 97.3 Ų | 97.3 | 53% | 0.529 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -68.9 | -41 | 173.6 | -73.7 | -71 | 0 | 0 | 0 | 112.4 | S497 L498 E503 Q504 I505 | S497-Y501 WeakPolarHBondContact O-CD2 3.28Å; S497-Y501 PolarHBondContact O-N 3.34Å; L498-Y501 PolarHBondContact O-N 3.21Å; Y501-E503 VanDerWaalsContact C-N 3.31Å; Y501-E503 PolarHBondContact O-N 2.78Å; Y501-Q504 PolarHBondContact O-N 2.94Å; Y501-I505 WeakPolarHBondContact O-CB 3.45Å; Y501-I505 WeakPolarHBondContact O-CD1 3.48Å; Y501-I505 VanDerWaalsContact O-CG1 3.27Å; Y501-I505 WeakPolarHBondContact O-CG1 3.42Å; Y501-I505 PolarHBondContact O-N 2.99Å |
| 502 | E | 54.6 | Low | 45.4 | Very low | 53 Ų | 53 | 99.4 Ų | 99.4 | 25% | 0.248 | 53% | 0.528 | C | S | . | . | H | α-helix | trans | -59.7 | -42.1 | 173.7 | -173.4 | -177.5 | 161.2 | 0 | 0 | 111.5 | T483 L498 K499 I505 F506 | T483-E502 VanDerWaalsContact CB-OE2 3.31Å; T483-E502 WeakPolarHBondContact CB-OE2 3.34Å; T483-E502 WeakPolarHBondContact CG2-OE2 3.46Å; T483-E502 PolarHBondContact OG1-OE2 3.45Å; L498-E502 PolarHBondContact O-N 2.91Å; K499-E502 PolarHBondContact O-N 3.33Å; E502-I505 PolarHBondContact O-N 2.88Å; E502-F506 HydrophobicContact CG-CD2 3.73Å; E502-F506 HydrophobicContact CG-CE2 3.95Å; E502-F506 VanDerWaalsContact O-CD2 3.31Å; E502-F506 WeakPolarHBondContact O-CD2 3.34Å; E502-F506 PolarHBondContact O-N 3.25Å |
| 503 | E | 50.2 | Low | 46 | Very low | 80 Ų | 80 | 96.9 Ų | 96.9 | 37% | 0.374 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -74.9 | -29.9 | 178.1 | -73.9 | 179.1 | -167.4 | 0 | 0 | 113.5 | K499 L500 Y501 F506 S507 | K499-E503 VanDerWaalsContact CE-OE1 3.32Å; K499-E503 WeakPolarHBondContact CE-OE1 3.29Å; K499-E503 IonicContact NZ-OE1 3.4Å; K499-E503 PolarHBondContact NZ-OE1 2.84Å; K499-E503 WeakPolarHBondContact O-CB 3.45Å; K499-E503 WeakPolarHBondContact O-CG 3.43Å; K499-E503 PolarHBondContact O-N 2.9Å; L500-E503 PolarHBondContact O-N 3.1Å; Y501-E503 VanDerWaalsContact C-N 3.31Å; Y501-E503 PolarHBondContact O-N 2.78Å; E503-F506 CarbonylContact O-C 3.57Å; E503-S507 VanDerWaalsContact O-CA 3.3Å; E503-S507 WeakPolarHBondContact O-CA 3.4Å; E503-S507 VanDerWaalsContact O-CB 3.26Å; E503-S507 WeakPolarHBondContact O-CB 3.35Å; E503-S507 PolarHBondContact O-N 2.96Å |
| 504 | Q | 57.2 | Low | 46.6 | Very low | 132 Ų | 132 | 95.6 Ų | 95.6 | 62% | 0.617 | 49% | 0.491 | S | S | * | . | H | α-helix | trans | -63.5 | -49 | 167.4 | -81 | -175.1 | -12.3 | 0 | 0 | 111.5 | L500 Y501 F506 S507 | L500-Q504 WeakPolarHBondContact O-CB 3.41Å; L500-Q504 WeakPolarHBondContact O-CG 3.31Å; L500-Q504 PolarHBondContact O-N 3.19Å; Y501-Q504 PolarHBondContact O-N 2.94Å; Q504-F506 PolarHBondContact O-N 2.99Å; Q504-S507 VanDerWaalsContact O-CB 3.32Å; Q504-S507 WeakPolarHBondContact O-CB 3.44Å; Q504-S507 PolarHBondContact O-N 3.35Å; Q504-S507 PolarHBondContact O-OG 3.1Å |
| 505 | I | 54.3 | Low | 46.9 | Very low | 118 Ų | 118 | 95 Ų | 95 | 61% | 0.605 | 49% | 0.493 | S | S | * | . | H | α-helix | trans | -63.1 | -43 | -178.8 | -69.2 | 165.1 | 0 | 0 | 0 | 111.2 | Y501 E502 | Y501-I505 WeakPolarHBondContact O-CB 3.45Å; Y501-I505 WeakPolarHBondContact O-CD1 3.48Å; Y501-I505 VanDerWaalsContact O-CG1 3.27Å; Y501-I505 WeakPolarHBondContact O-CG1 3.42Å; Y501-I505 PolarHBondContact O-N 2.99Å; E502-I505 PolarHBondContact O-N 2.88Å |
| 506 | F | 53.8 | Low | 46.8 | Very low | 31 Ų | 31 | 101.8 Ų | 101.8 | 14% | 0.136 | 52% | 0.521 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -97.7 | 21.2 | 179.2 | -60.2 | -59.3 | 0 | 0 | 0 | 114.2 | E502 E503 Q504 H508 C509 R514 P515 | E502-F506 HydrophobicContact CG-CD2 3.73Å; E502-F506 HydrophobicContact CG-CE2 3.95Å; E502-F506 VanDerWaalsContact O-CD2 3.31Å; E502-F506 WeakPolarHBondContact O-CD2 3.34Å; E502-F506 PolarHBondContact O-N 3.25Å; E503-F506 CarbonylContact O-C 3.57Å; Q504-F506 PolarHBondContact O-N 2.99Å; F506-H508 PolarHBondContact O-N 3.37Å; F506-H508 VanDerWaalsContact O-N 3.14Å; F506-C509 HydrophobicContact CB-CB 4.43Å; F506-C509 HydrophobicContact CD1-CB 4.38Å; F506-C509 PolarHBondContact O-N 3.41Å; F506-R514 HydrophobicContact CB-CG 4.12Å; F506-R514 VanDerWaalsContact CB-NE 3.29Å; F506-R514 HydrophobicContact CD1-CG 4.26Å; F506-R514 HydrophobicContact CD2-CG 4.31Å; F506-R514 HydrophobicContact CG-CG 3.99Å; F506-R514 PolarHBondContact O-NH2 2.89Å; F506-P515 HydrophobicContact CE1-CG 4.34Å; F506-P515 HydrophobicContact CZ-CG 4.2Å |
| 507 | S | 51.8 | Low | 46.6 | Very low | 72 Ų | 72 | 97.4 Ų | 97.4 | 50% | 0.503 | 50% | 0.501 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -64.6 | -12.5 | 177.2 | 59 | 0 | 0 | 0 | 0 | 114 | E503 Q504 | E503-S507 VanDerWaalsContact O-CA 3.3Å; E503-S507 WeakPolarHBondContact O-CA 3.4Å; E503-S507 VanDerWaalsContact O-CB 3.26Å; E503-S507 WeakPolarHBondContact O-CB 3.35Å; E503-S507 PolarHBondContact O-N 2.96Å; Q504-S507 VanDerWaalsContact O-CB 3.32Å; Q504-S507 WeakPolarHBondContact O-CB 3.44Å; Q504-S507 PolarHBondContact O-N 3.35Å; Q504-S507 PolarHBondContact O-OG 3.1Å |
| 508 | H | 50.2 | Low | 46 | Very low | 174 Ų | 174 | 103.5 Ų | 103.5 | 81% | 0.806 | 52% | 0.518 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -116.3 | 4.2 | 179.7 | -57.9 | -21.3 | 0 | 0 | 0 | 113.5 | F506 | F506-H508 PolarHBondContact O-N 3.37Å; F506-H508 VanDerWaalsContact O-N 3.14Å |
| 509 | C | 42.2 | Very low | 45.7 | Very low | 54 Ų | 54 | 103.5 Ų | 103.5 | 37% | 0.365 | 52% | 0.524 | S | S | . | . | S | Bend | trans | -109.1 | 133.8 | 179.8 | -70.3 | 0 | 0 | 0 | 0 | 111.3 | F506 | F506-C509 HydrophobicContact CB-CB 4.43Å; F506-C509 HydrophobicContact CD1-CB 4.38Å; F506-C509 PolarHBondContact O-N 3.41Å |
| 510 | Q | 47.7 | Very low | 44.7 | Very low | 129 Ų | 129 | 104.5 Ų | 104.5 | 60% | 0.603 | 53% | 0.534 | S | S | * | . | | | trans | -62.3 | 149.4 | 172.6 | -75 | -67.4 | -28.4 | 0 | 0 | 110.9 | S512 Q513 | Q510-S512 PolarHBondContact O-N 2.92Å; Q510-S512 VanDerWaalsContact O-N 3.08Å; Q510-Q513 HydrophobicContact CB-CG 4.41Å; Q510-Q513 PolarHBondContact O-N 3.29Å |
| 511 | P | 46.1 | Very low | 43.7 | Very low | 107 Ų | 107 | 104.8 Ų | 104.8 | 70% | 0.695 | 54% | 0.536 | S | S | * | . | G | 310 helix | trans | -57.1 | -29.1 | -177.4 | -27.2 | 35.7 | 0 | 0 | 0 | 114.3 | Q513 | P511-Q513 VanDerWaalsContact C-N 3.27Å; P511-Q513 PolarHBondContact O-N 3.5Å |
| 512 | S | 48.3 | Very low | 43 | Very low | 111 Ų | 111 | 105.8 Ų | 105.8 | 78% | 0.776 | 54% | 0.544 | S | S | * | . | G | 310 helix | trans | -74.4 | -9.7 | 175.4 | 51.7 | 0 | 0 | 0 | 0 | 114.8 | Q510 | Q510-S512 PolarHBondContact O-N 2.92Å; Q510-S512 VanDerWaalsContact O-N 3.08Å |
| 513 | Q | 46.8 | Very low | 41.6 | Very low | 134 Ų | 134 | 110.8 Ų | 110.8 | 63% | 0.626 | 57% | 0.572 | S | S | * | * | G | 310 helix | trans | -110.4 | -2.8 | -176.5 | -66.7 | -179.1 | -38.3 | 0 | 0 | 113.7 | Q510 P511 | Q510-Q513 HydrophobicContact CB-CG 4.41Å; Q510-Q513 PolarHBondContact O-N 3.29Å; P511-Q513 VanDerWaalsContact C-N 3.27Å; P511-Q513 PolarHBondContact O-N 3.5Å |
| 514 | R | 45.4 | Very low | 40.5 | Very low | 82 Ų | 82 | 114 Ų | 114 | 31% | 0.309 | 59% | 0.587 | S | S | . | * | S | Bend | trans | -69.3 | 125.8 | 174.8 | -67.2 | -171.6 | -176.4 | -169 | -2.8 | 109.9 | F506 Q516 | F506-R514 HydrophobicContact CB-CG 4.12Å; F506-R514 VanDerWaalsContact CB-NE 3.29Å; F506-R514 HydrophobicContact CD1-CG 4.26Å; F506-R514 HydrophobicContact CD2-CG 4.31Å; F506-R514 HydrophobicContact CG-CG 3.99Å; F506-R514 PolarHBondContact O-NH2 2.89Å; R514-Q516 PolarHBondContact O-N 2.84Å |
| 515 | P | 40.1 | Very low | 39.1 | Very low | 71 Ų | 71 | 113.3 Ų | 113.3 | 46% | 0.461 | 59% | 0.594 | S | S | . | * | | | trans | -67.9 | 126.3 | -178.8 | 27.2 | -33.7 | 0 | 0 | 0 | 110.7 | F506 S517 | F506-P515 HydrophobicContact CE1-CG 4.34Å; F506-P515 HydrophobicContact CZ-CG 4.2Å; P515-S517 PolarHBondContact O-N 3.43Å |
| 516 | Q | 38.5 | Very low | 37.8 | Very low | 185 Ų | 185 | 117.9 Ų | 117.9 | 86% | 0.864 | 60% | 0.604 | S | S | * | * | S | Bend | trans | -72.3 | -11.5 | 180 | -63.9 | -169.5 | 8.1 | 0 | 0 | 113.8 | R514 | R514-Q516 PolarHBondContact O-N 2.84Š|
| 517 | S | 36.6 | Very low | 36.5 | Very low | 36 Ų | 36 | 123.6 Ų | 123.6 | 25% | 0.252 | 64% | 0.636 | S | S | . | * | S | Bend | trans | -156.2 | 142.1 | 171.4 | 59.5 | 0 | 0 | 0 | 0 | 109.4 | R477 P515 | R477-S517 PolarHBondContact NH2-OG 2.77Å; P515-S517 PolarHBondContact O-N 3.43Å |
| 518 | W | 27.9 | Very low | 35.2 | Very low | 164 Ų | 164 | 127.9 Ų | 127.9 | 62% | 0.621 | 65% | 0.648 | S | S | * | * | | | trans | -72.5 | 140.4 | 162.4 | -63.2 | 78.7 | 0 | 0 | 0 | 109.3 | I480 | I480-W518 HydrophobicContact CD1-CB 3.93Å; I480-W518 HydrophobicContact CD1-CG 4.15Å |
| 519 | C | 33.2 | Very low | 34.2 | Very low | 77 Ų | 77 | 126.3 Ų | 126.3 | 52% | 0.52 | 65% | 0.645 | S | S | . | * | | | trans | -126.4 | 141 | 166 | -67.3 | 0 | 0 | 0 | 0 | 107.3 | | |
| 520 | L | 25.1 | Very low | 33.7 | Very low | 135 Ų | 135 | 131.5 Ų | 131.5 | 71% | 0.707 | 67% | 0.669 | S | S | * | * | | | trans | -111.6 | 105 | 172.2 | -71.6 | 170.2 | 0 | 0 | 0 | 107 | F522 | L520-F522 HydrophobicContact CB-CD2 4.46Å; L520-F522 HydrophobicContact CB-CE2 3.97Å; L520-F522 PolarHBondContact O-N 2.76Å |
| 521 | D | 26.2 | Very low | 33.1 | Very low | 121 Ų | 121 | 130.8 Ų | 130.8 | 65% | 0.647 | 68% | 0.676 | S | S | * | * | | | trans | -73.1 | 119 | 168.5 | -70.3 | -53.5 | 0 | 0 | 0 | 108.6 | | |
| 522 | F | 26.2 | Very low | 32.4 | Very low | 155 Ų | 155 | 131.5 Ų | 131.5 | 68% | 0.68 | 68% | 0.678 | S | S | * | * | | | trans | -96 | 98.2 | 167.9 | -72.4 | -87 | 0 | 0 | 0 | 107.4 | L520 | L520-F522 HydrophobicContact CB-CD2 4.46Å; L520-F522 HydrophobicContact CB-CE2 3.97Å; L520-F522 PolarHBondContact O-N 2.76Å |
| 523 | D | 26.1 | Very low | 31.6 | Very low | 158 Ų | 158 | 134 Ų | 134 | 85% | 0.845 | 68% | 0.683 | S | S | * | * | P | Polyproline II helix | trans | -52.1 | 142.5 | 169.2 | -84.7 | -48.5 | 0 | 0 | 0 | 110.3 | | |
| 524 | Q | 26.8 | Very low | 30.6 | Very low | 149 Ų | 149 | 134 Ų | 134 | 70% | 0.696 | 69% | 0.687 | S | S | * | * | P | Polyproline II helix | trans | -60.7 | 142.7 | 179 | -66.9 | -177.7 | -95.5 | 0 | 0 | 110.5 | R526 | Q524-R526 PolarHBondContact O-N 3.41Š|
| 525 | P | 27.4 | Very low | 29.9 | Very low | 116 Ų | 116 | 134.5 Ų | 134.5 | 75% | 0.753 | 70% | 0.703 | S | S | * | * | P | Polyproline II helix | trans | -55.2 | 125.6 | 163.8 | -18.6 | 30.7 | 0 | 0 | 0 | 108.6 | | |
| 526 | R | 26.5 | Very low | 29.4 | Very low | 214 Ų | 214 | 139.3 Ų | 139.3 | 81% | 0.808 | 72% | 0.719 | S | S | * | * | P | Polyproline II helix | trans | -77.9 | 120.5 | 162.4 | -69.1 | -174.7 | -178.8 | -175.5 | 0.8 | 107.3 | Q524 E528 | Q524-R526 PolarHBondContact O-N 3.41Å; R526-E528 HydrophobicContact CB-CG 4.38Å; R526-E528 PolarHBondContact O-N 2.92Å |
| 527 | D | 26.5 | Very low | 28.9 | Very low | 152 Ų | 152 | 135.8 Ų | 135.8 | 81% | 0.813 | 72% | 0.715 | S | S | * | * | | | trans | -71 | 76.2 | 168.6 | -70.5 | -51.8 | 0 | 0 | 0 | 110 | N529 | D527-N529 VanDerWaalsContact C-N 3.29Å; D527-N529 PolarHBondContact O-N 3.5Å |
| 528 | E | 25.8 | Very low | 28.5 | Very low | 162 Ų | 162 | 139.4 Ų | 139.4 | 76% | 0.757 | 74% | 0.74 | S | S | * | * | | | trans | -77.7 | 81.5 | 168.3 | -73.7 | -166.8 | -176 | 0 | 0 | 110.2 | R526 | R526-E528 HydrophobicContact CB-CG 4.38Å; R526-E528 PolarHBondContact O-N 2.92Å |
| 529 | N | 28.4 | Very low | 28.3 | Very low | 140 Ų | 140 | 137.1 Ų | 137.1 | 75% | 0.749 | 75% | 0.749 | S | S | * | * | | | trans | -124.5 | 85.5 | 166 | -88.1 | -55.8 | 0 | 0 | 0 | 110.1 | D527 | D527-N529 VanDerWaalsContact C-N 3.29Å; D527-N529 PolarHBondContact O-N 3.5Å |
| 530 | N | 32.4 | Very low | 28.4 | Very low | 164 Ų | 164 | 139 Ų | 139 | 88% | 0.877 | 76% | 0.76 | S | S | * | * | | | trans | -163.8 | 105.6 | 157.7 | -101.9 | -28.1 | 0 | 0 | 0 | 110 | | |
| 531 | P | 34.6 | Very low | 28.4 | Very low | 113 Ų | 113 | 136.5 Ų | 136.5 | 73% | 0.734 | 76% | 0.759 | S | S | * | * | | | trans | -80.6 | 121.2 | 177 | 30.8 | -31.9 | 0 | 0 | 0 | 112.2 | | |
| 532 | V | 31.9 | Very low | 28.4 | Very low | 122 Ų | 122 | 135.9 Ų | 135.9 | 74% | 0.739 | 77% | 0.765 | S | S | * | * | | | trans | -4.1 | 131.3 | 154.3 | -178.4 | 0 | 0 | 0 | 0 | 117.7 | | |
| 533 | D | 31.2 | Very low | 28.3 | Very low | 164 Ų | 164 | 134 Ų | 134 | 88% | 0.877 | 77% | 0.766 | S | S | * | * | | | | -142.9 | 153.7 | 127.4 | -144.4 | -18.8 | 0 | 0 | 0 | 111 | | |
| 534 | D | 26.2 | Very low | 28.2 | Very low | 134 Ų | 134 | 133 Ų | 133 | 72% | 0.717 | 77% | 0.765 | S | S | * | * | | | trans | -98.7 | 141.6 | -164.7 | -96.2 | -49.3 | 0 | 0 | 0 | 114.1 | | |
| 535 | S | 30.4 | Very low | 28.2 | Very low | 93 Ų | 93 | 131.2 Ų | 131.2 | 65% | 0.65 | 77% | 0.769 | S | S | * | * | | | | 164.4 | 110 | 129.1 | -77.8 | 0 | 0 | 0 | 0 | 114.3 | | |
| 536 | H | 29.5 | Very low | 28.4 | Very low | 172 Ų | 172 | 130.6 Ų | 130.6 | 80% | 0.796 | 77% | 0.767 | S | S | * | * | | | | 160.5 | 126.5 | 109.5 | -83 | -55 | 0 | 0 | 0 | 115.1 | | |
| 537 | S | 27.2 | Very low | 28.5 | Very low | 110 Ų | 110 | 124.9 Ų | 124.9 | 77% | 0.769 | 76% | 0.76 | S | S | * | * | | | trans | 79.8 | 138.9 | 147.9 | 74.9 | 0 | 0 | 0 | 0 | 122.3 | | |
| 538 | S | 28.5 | Very low | 28.8 | Very low | 112 Ų | 112 | 126.8 Ų | 126.8 | 78% | 0.783 | 76% | 0.762 | S | S | * | * | | | trans | 62.7 | 88.1 | 158.7 | 51.4 | 0 | 0 | 0 | 0 | 121.4 | | |
| 539 | S | 24.2 | Very low | 29.1 | Very low | 116 Ų | 116 | 124 Ų | 124 | 81% | 0.811 | 76% | 0.76 | S | S | * | * | | | | -81.9 | 177 | 129.2 | -47.5 | 0 | 0 | 0 | 0 | 109.2 | | |
| 540 | P | 35.4 | Very low | 29.3 | Very low | 117 Ų | 117 | 122.2 Ų | 122.2 | 76% | 0.76 | 76% | 0.759 | S | S | * | * | | | cis | -141.9 | 179.1 | 2.4 | 44.3 | -26.5 | 0 | 0 | 0 | 117.1 | | |
| 541 | A | 24.6 | Very low | 29.2 | Very low | 83 Ų | 83 | 120.2 Ų | 120.2 | 69% | 0.686 | 76% | 0.757 | S | S | * | * | | | trans | 69.1 | 109.9 | 138.9 | 0 | 0 | 0 | 0 | 0 | 123.5 | | |
| 542 | S | 26.2 | Very low | 29.1 | Very low | 108 Ų | 108 | 119.8 Ų | 119.8 | 76% | 0.755 | 76% | 0.757 | S | S | * | * | | | | 96.8 | 150.2 | 109.5 | 71.7 | 0 | 0 | 0 | 0 | 124.2 | | |
| 543 | T | 23.9 | Very low | 29.2 | Very low | 115 Ų | 115 | 118.7 Ų | 118.7 | 71% | 0.706 | 76% | 0.755 | S | S | * | * | | | trans | 99.6 | 99.1 | 146.4 | 1.6 | 0 | 0 | 0 | 0 | 121.3 | | |
| 544 | V | 25.7 | Very low | 29.1 | Very low | 137 Ų | 137 | 115.8 Ų | 115.8 | 83% | 0.83 | 75% | 0.747 | S | S | * | * | | | trans | 64.4 | 148.4 | 139.5 | -60 | 0 | 0 | 0 | 0 | 124.3 | | |
| 545 | S | 27 | Very low | 29.2 | Very low | 111 Ų | 111 | 116.5 Ų | 116.5 | 78% | 0.776 | 75% | 0.751 | S | S | * | * | | | trans | -62.6 | 168.2 | 165.2 | -38.3 | 0 | 0 | 0 | 0 | 112.5 | | |
| 546 | S | 30.6 | Very low | 29.3 | Very low | 103 Ų | 103 | 116.9 Ų | 116.9 | 72% | 0.72 | 75% | 0.749 | S | S | * | * | | | cis | -171.7 | 178.6 | 35.8 | 60.8 | 0 | 0 | 0 | 0 | 113.6 | | |
| 547 | S | 29.1 | Very low | 29.2 | Very low | 94 Ų | 94 | 113.9 Ų | 113.9 | 66% | 0.657 | 75% | 0.748 | S | S | * | * | | | trans | 97.4 | 108.2 | 145.2 | -60.8 | 0 | 0 | 0 | 0 | 121.9 | | |
| 548 | F | 31.3 | Very low | 29.4 | Very low | 193 Ų | 193 | 114 Ų | 114 | 85% | 0.846 | 74% | 0.737 | S | S | * | * | | | trans | 64.5 | 127.8 | 130.5 | -76 | -76.8 | 0 | 0 | 0 | 124.9 | | |
| 549 | S | 33.3 | Very low | 29.6 | Very low | 102 Ų | 102 | 115.8 Ų | 115.8 | 71% | 0.713 | 74% | 0.736 | S | S | * | * | | | trans | 74.8 | 146.1 | 146.9 | -54 | 0 | 0 | 0 | 0 | 118.2 | | |
| 550 | S | 31.6 | Very low | 29.9 | Very low | 104 Ų | 104 | 114.3 Ų | 114.3 | 73% | 0.727 | 72% | 0.719 | S | S | * | * | | | cis | -154.2 | 147.5 | 24.9 | -38.5 | 0 | 0 | 0 | 0 | 115.3 | | |
| 551 | S | 31.5 | Very low | 29.8 | Very low | 121 Ų | 121 | 112.9 Ų | 112.9 | 85% | 0.846 | 71% | 0.711 | S | S | * | * | | | trans | 67.4 | 159.4 | 135 | -63.7 | 0 | 0 | 0 | 0 | 122.1 | | |
| 552 | S | 32.2 | Very low | 30.1 | Very low | 105 Ų | 105 | 117 Ų | 117 | 73% | 0.734 | 72% | 0.717 | S | S | * | * | | | cis | 167.8 | 148.9 | -18.6 | 178.9 | 0 | 0 | 0 | 0 | 107.5 | | |
| 553 | S | 33.2 | Very low | 30.2 | Very low | 99 Ų | 99 | 117.5 Ų | 117.5 | 69% | 0.692 | 71% | 0.711 | S | S | * | * | | | cis | -156.6 | -138.6 | -17 | 40.4 | 0 | 0 | 0 | 0 | 106.1 | | |
| 554 | S | 29.7 | Very low | 30.7 | Very low | 102 Ų | 102 | 120.3 Ų | 120.3 | 71% | 0.713 | 72% | 0.716 | S | S | * | * | | | cis | -163.4 | 169.2 | 0.3 | -8 | 0 | 0 | 0 | 0 | 110.6 | | |
| 555 | D | 27.7 | Very low | 31.1 | Very low | 150 Ų | 150 | 119.3 Ų | 119.3 | 80% | 0.802 | 71% | 0.71 | S | S | * | * | | | trans | -112.5 | -168.8 | -173 | -53.5 | -91.9 | 0 | 0 | 0 | 115.8 | | |
| 556 | T | 32.8 | Very low | 31.1 | Very low | 100 Ų | 100 | 120.6 Ų | 120.6 | 61% | 0.613 | 71% | 0.708 | S | S | * | * | | | trans | 107.5 | 149.4 | 140.1 | 75.5 | 0 | 0 | 0 | 0 | 121.3 | | |
| 557 | S | 27.9 | Very low | 31 | Very low | 109 Ų | 109 | 121.2 Ų | 121.2 | 76% | 0.762 | 70% | 0.703 | S | S | * | * | | | | -173.4 | 166 | 129.7 | 50.5 | 0 | 0 | 0 | 0 | 112.4 | | |
| 558 | Q | 31.3 | Very low | 31 | Very low | 114 Ų | 114 | 126.4 Ų | 126.4 | 53% | 0.533 | 71% | 0.708 | S | S | . | * | | | | -159.3 | 172.6 | -70.7 | -118.2 | -170.5 | 36.3 | 0 | 0 | 113.2 | | |
| 559 | L | 33.1 | Very low | 30.8 | Very low | 148 Ų | 148 | 127.9 Ų | 127.9 | 78% | 0.775 | 71% | 0.708 | S | S | * | * | | | trans | -101.1 | -143.4 | -178.8 | -109.9 | 171.6 | 0 | 0 | 0 | 112.4 | R571 | L559-R571 PolarHBondContact O-NE 3.48Å; L559-R571 PolarHBondContact O-NH2 3.33Å |
| 560 | L | 30 | Very low | 30.4 | Very low | 86 Ų | 86 | 127.2 Ų | 127.2 | 45% | 0.45 | 70% | 0.695 | S | S | . | * | | | trans | 102.3 | 131.5 | 174 | -73.4 | 69 | 0 | 0 | 0 | 115.3 | R571 | L560-R571 PolarHBondContact O-NH1 3.36Å; L560-R571 PolarHBondContact O-NH2 2.99Å |
| 561 | S | 33.4 | Very low | 30.3 | Very low | 86 Ų | 86 | 128.3 Ų | 128.3 | 60% | 0.601 | 68% | 0.684 | S | S | * | * | | | cis | 92.5 | 152.1 | 30.6 | 89.8 | 0 | 0 | 0 | 0 | 116.5 | | |
| 562 | Q | 30.8 | Very low | 30.2 | Very low | 170 Ų | 170 | 127.6 Ų | 127.6 | 79% | 0.794 | 67% | 0.67 | S | S | * | * | | | trans | -155.1 | 153.9 | 151.8 | -74.2 | -153.8 | 11.1 | 0 | 0 | 108 | | |
| 563 | N | 28.3 | Very low | 30.2 | Very low | 118 Ų | 118 | 128.8 Ų | 128.8 | 63% | 0.631 | 67% | 0.667 | S | S | * | * | | | cis | -166.4 | 138.3 | -23.5 | -101.8 | -18 | 0 | 0 | 0 | 108.4 | | |
| 564 | H | 34.1 | Very low | 30.4 | Very low | 175 Ų | 175 | 127.9 Ų | 127.9 | 81% | 0.81 | 66% | 0.659 | S | S | * | * | S | Bend | trans | -175.5 | 141.1 | 140.8 | -111.4 | -73.7 | 0 | 0 | 0 | 110.4 | | |
| 565 | T | 33.7 | Very low | 30.5 | Very low | 116 Ų | 116 | 132.4 Ų | 132.4 | 71% | 0.712 | 66% | 0.662 | S | S | * | * | S | Bend | trans | 48.9 | 76.8 | 170 | 55 | 0 | 0 | 0 | 0 | 114.8 | | |
| 566 | D | 27.6 | Very low | 30.6 | Very low | 137 Ų | 137 | 136 Ų | 136 | 73% | 0.733 | 67% | 0.665 | S | S | * | * | | | | 98.2 | 147 | 61 | -79.7 | 16.4 | 0 | 0 | 0 | 111.3 | | |
| 567 | L | 27.7 | Very low | 30.3 | Very low | 116 Ų | 116 | 137 Ų | 137 | 61% | 0.607 | 67% | 0.671 | S | S | * | * | | | cis | -169.4 | 133 | -20.2 | -101.3 | 177.4 | 0 | 0 | 0 | 102.9 | | |
| 568 | R | 29.9 | Very low | 31.5 | Very low | 203 Ų | 203 | 137.1 Ų | 137.1 | 77% | 0.766 | 67% | 0.67 | S | S | * | * | | | cis | -147.9 | -166.7 | 18.9 | -49.6 | -174.6 | 173 | 72.9 | 0 | 107 | | |
| 569 | R | 26.2 | Very low | 31.6 | Very low | 225 Ų | 225 | 137.3 Ų | 137.3 | 85% | 0.849 | 68% | 0.681 | S | S | * | * | | | cis | -158.8 | 103.1 | 6.2 | 178.2 | -154.3 | -67.5 | -127.2 | 1.5 | 110.1 | | |
| 570 | I | 26.5 | Very low | 31.3 | Very low | 88 Ų | 88 | 136.9 Ų | 136.9 | 45% | 0.451 | 68% | 0.684 | S | S | . | * | | | trans | -143.3 | 142.9 | 148.6 | -67.5 | -168.5 | 0 | 0 | 0 | 107.2 | | |
| 571 | R | 28.4 | Very low | 31.3 | Very low | 127 Ų | 127 | 140.5 Ų | 140.5 | 48% | 0.479 | 70% | 0.698 | S | S | . | * | | | trans | 123.8 | 146.2 | 179.7 | -79.4 | -167.9 | 158.5 | -166.7 | -6.3 | 111.6 | L559 L560 | L559-R571 PolarHBondContact O-NE 3.48Å; L559-R571 PolarHBondContact O-NH2 3.33Å; L560-R571 PolarHBondContact O-NH1 3.36Å; L560-R571 PolarHBondContact O-NH2 2.99Å |
| 572 | N | 30.3 | Very low | 31.3 | Very low | 105 Ų | 105 | 141.9 Ų | 141.9 | 56% | 0.561 | 71% | 0.706 | S | S | * | * | | | cis | -163.8 | 179.5 | 12.4 | -136.7 | 3.5 | 0 | 0 | 0 | 113.7 | | |
| 573 | I | 32.3 | Very low | 31.1 | Very low | 131 Ų | 131 | 143.8 Ų | 143.8 | 67% | 0.672 | 71% | 0.705 | S | S | * | * | | | trans | 79.9 | 149.8 | 139.1 | -88.5 | 165.3 | 0 | 0 | 0 | 119.1 | | |
| 574 | P | 36.4 | Very low | 31.2 | Very low | 80 Ų | 80 | 145.1 Ų | 145.1 | 52% | 0.519 | 71% | 0.712 | S | S | . | * | | | cis | -152.8 | -177.6 | -15.5 | 43.3 | -24.2 | 0 | 0 | 0 | 120.3 | | |
| 575 | Y | 31.7 | Very low | 30.9 | Very low | 197 Ų | 197 | 141.9 Ų | 141.9 | 77% | 0.773 | 71% | 0.709 | S | S | * | * | | | trans | 69.5 | 138.8 | 153 | -54 | -44.2 | 0 | 0 | 0 | 119.2 | | |
| 576 | Y | 29.7 | Very low | 30.6 | Very low | 225 Ų | 225 | 142.6 Ų | 142.6 | 88% | 0.882 | 72% | 0.719 | S | S | * | * | | | cis | -131 | 172 | 32.7 | -116.5 | -94.8 | 0 | 0 | 0 | 115.4 | | |
| 577 | T | 27.4 | Very low | 30.7 | Very low | 120 Ų | 120 | 146.8 Ų | 146.8 | 74% | 0.736 | 73% | 0.725 | S | S | * | * | | | trans | -140 | 160 | 177.1 | 29.7 | 0 | 0 | 0 | 0 | 113.9 | | |
| 578 | P | 52.5 | Low | 30.5 | Very low | 112 Ų | 112 | 146 Ų | 146 | 73% | 0.727 | 73% | 0.729 | S | S | * | * | | | trans | -103.9 | -170.2 | -174.5 | 42.8 | -37.6 | 0 | 0 | 0 | 113.4 | | |
| 579 | P | 33.2 | Very low | 30.4 | Very low | 118 Ų | 118 | 147.2 Ų | 147.2 | 77% | 0.766 | 74% | 0.735 | S | S | * | * | | | trans | -131.8 | 166.6 | 136.9 | 38.9 | -26.4 | 0 | 0 | 0 | 111.3 | | |
| 580 | V | 28.1 | Very low | 30.4 | Very low | 140 Ų | 140 | 144 Ų | 144 | 85% | 0.848 | 73% | 0.729 | S | S | * | * | | | cis | -148 | 165.4 | 40.3 | 173.5 | 0 | 0 | 0 | 0 | 111.5 | | |
| 581 | H | 28.7 | Very low | 30.6 | Very low | 161 Ų | 161 | 147.8 Ų | 147.8 | 75% | 0.745 | 75% | 0.745 | S | S | * | * | | | trans | -83.8 | -173.6 | -178.9 | -120 | -21 | 0 | 0 | 0 | 113.2 | | |
| 582 | P | 33.9 | Very low | 30.5 | Very low | 116 Ų | 116 | 149.7 Ų | 149.7 | 75% | 0.753 | 77% | 0.765 | S | S | * | * | | | cis | -145.1 | 153.7 | 28.6 | 40.7 | -18.8 | 0 | 0 | 0 | 121.3 | | |
| 583 | R | 27.5 | Very low | 30.4 | Very low | 209 Ų | 209 | 149.4 Ų | 149.4 | 79% | 0.789 | 78% | 0.777 | S | S | * | * | | | trans | 31.6 | 114.1 | 141.2 | -70.8 | -178.2 | 172.4 | 169.4 | -2.5 | 123.6 | | |
| 584 | N | 29.7 | Very low | 30.3 | Very low | 146 Ų | 146 | 148.4 Ų | 148.4 | 78% | 0.781 | 78% | 0.779 | S | S | * | * | | | | 64.4 | 125.8 | 116.4 | -72.1 | 23 | 0 | 0 | 0 | 125.1 | | |
| 585 | S | 28.4 | Very low | 29.8 | Very low | 107 Ų | 107 | 151.1 Ų | 151.1 | 75% | 0.748 | 79% | 0.794 | S | S | * | * | | | trans | 72.3 | 108.4 | 130.2 | 67.4 | 0 | 0 | 0 | 0 | 121.4 | R587 | S585-R587 PolarHBondContact O-N 2.93Š|
| 586 | S | 27.1 | Very low | 29.7 | Very low | 131 Ų | 131 | 147.6 Ų | 147.6 | 92% | 0.916 | 79% | 0.793 | S | S | * | * | | | trans | -88.2 | 85.8 | 152.9 | 58.8 | 0 | 0 | 0 | 0 | 111.8 | | |
| 587 | R | 29.6 | Very low | 29.9 | Very low | 226 Ų | 226 | 142.5 Ų | 142.5 | 85% | 0.853 | 79% | 0.785 | S | S | * | * | S | Bend | trans | -122.9 | 122.1 | 138.3 | -161.6 | -175.3 | -154.2 | -150.3 | 6.8 | 105.8 | S585 | S585-R587 PolarHBondContact O-N 2.93Š|
| 588 | S | 24 | Very low | 29.9 | Very low | 98 Ų | 98 | 141.4 Ų | 141.4 | 69% | 0.685 | 78% | 0.782 | S | S | * | * | S | Bend | trans | 48.7 | 103.8 | 178.1 | 51.1 | 0 | 0 | 0 | 0 | 116.4 | | |
| 589 | Y | 25.9 | Very low | 28.7 | Very low | 229 Ų | 229 | 141.6 Ų | 141.6 | 90% | 0.898 | 79% | 0.786 | S | S | * | * | | | trans | 54.4 | 115.4 | 151.9 | -68.4 | -82.3 | 0 | 0 | 0 | 120.1 | | |
| 590 | H | 28.1 | Very low | 28.6 | Very low | 158 Ų | 158 | 142.3 Ų | 142.3 | 73% | 0.731 | 79% | 0.789 | S | S | * | * | S | Bend | trans | 1.8 | 120.9 | 149 | -88.6 | -112.4 | 0 | 0 | 0 | 119 | | |
| 591 | Q | 30.2 | Very low | 28.6 | Very low | 167 Ų | 167 | 138.8 Ų | 138.8 | 78% | 0.78 | 78% | 0.781 | S | S | * | * | | | trans | 59.4 | 83.6 | 130.8 | -63.6 | 171 | -36.8 | 0 | 0 | 117.6 | A593 | Q591-A593 PolarHBondContact O-N 2.85Š|
| 592 | N | 26 | Very low | 28.7 | Very low | 168 Ų | 168 | 140.2 Ų | 140.2 | 90% | 0.898 | 79% | 0.785 | S | S | * | * | | | trans | -67.7 | 109.6 | 147.6 | -78.8 | -37.9 | 0 | 0 | 0 | 109.8 | P594 | N592-P594 WeakPolarHBondContact O-CD 3.46Š|
| 593 | A | 28 | Very low | 28.5 | Very low | 98 Ų | 98 | 140.9 Ų | 140.9 | 81% | 0.81 | 79% | 0.787 | S | S | * | * | | | trans | -98.2 | 102.9 | 153.5 | 0 | 0 | 0 | 0 | 0 | 107.6 | Q591 | Q591-A593 PolarHBondContact O-N 2.85Š|
| 594 | P | 30.4 | Very low | 28.6 | Very low | 110 Ų | 110 | 135.2 Ų | 135.2 | 71% | 0.714 | 78% | 0.784 | S | S | * | * | | | trans | -89.7 | 172.7 | -174.7 | 35.9 | -36 | 0 | 0 | 0 | 113.2 | N592 | N592-P594 WeakPolarHBondContact O-CD 3.46Š|
| 595 | V | 26.6 | Very low | 28.7 | Very low | 138 Ų | 138 | 133 Ų | 133 | 84% | 0.836 | 78% | 0.781 | S | S | * | * | | | trans | 98.2 | 142.8 | 172.2 | -171.3 | 0 | 0 | 0 | 0 | 114.3 | | |
| 596 | V | 28.6 | Very low | 28.8 | Very low | 123 Ų | 123 | 137 Ų | 137 | 75% | 0.745 | 79% | 0.788 | S | S | * | * | S | Bend | trans | 71.7 | 70.8 | -172 | -160.1 | 0 | 0 | 0 | 0 | 115.4 | | |
| 597 | T | 35 | Very low | 28.8 | Very low | 117 Ų | 117 | 134.9 Ų | 134.9 | 72% | 0.718 | 78% | 0.778 | S | S | * | * | | | | 41.4 | 111.8 | 129.5 | 56.4 | 0 | 0 | 0 | 0 | 120.2 | | |
| 598 | S | 27 | Very low | 28.8 | Very low | 97 Ų | 97 | 130 Ų | 130 | 68% | 0.678 | 77% | 0.773 | S | S | * | * | | | trans | 41.8 | 91.7 | 134.6 | 60.3 | 0 | 0 | 0 | 0 | 118.3 | | |
| 599 | S | 27.7 | Very low | 29.2 | Very low | 117 Ų | 117 | 131.5 Ų | 131.5 | 82% | 0.818 | 78% | 0.778 | S | S | * | * | | | trans | 0.4 | 121.3 | 137 | 56.5 | 0 | 0 | 0 | 0 | 117.3 | | |
| 600 | T | 31 | Very low | 29.6 | Very low | 133 Ų | 133 | 125.8 Ų | 125.8 | 82% | 0.816 | 77% | 0.77 | S | S | * | * | | | trans | -147.6 | 118.9 | 147.7 | 8.3 | 0 | 0 | 0 | 0 | 110.2 | | |
| 601 | G | 28.3 | Very low | 29.8 | Very low | 66 Ų | 66 | 124.3 Ų | 124.3 | 68% | 0.68 | 77% | 0.772 | S | S | * | * | | | trans | -159.4 | 87.9 | 174.7 | 0 | 0 | 0 | 0 | 0 | 108.5 | | |
| 602 | F | 29.6 | Very low | 29.7 | Very low | 190 Ų | 190 | 121.6 Ų | 121.6 | 83% | 0.833 | 77% | 0.771 | S | S | * | * | S | Bend | cis | -147.8 | 159.4 | 5.2 | -81.5 | -88.8 | 0 | 0 | 0 | 110.6 | | |
| 603 | V | 29.5 | Very low | 29.8 | Very low | 130 Ų | 130 | 116.9 Ų | 116.9 | 79% | 0.788 | 76% | 0.762 | S | S | * | * | | | trans | 48.4 | 123.2 | 143 | 175.7 | 0 | 0 | 0 | 0 | 117.5 | | |
| 604 | A | 30.3 | Very low | 29.8 | Very low | 90 Ų | 90 | 117.1 Ų | 117.1 | 74% | 0.744 | 76% | 0.764 | S | S | * | * | | | cis | -150.8 | 174.3 | 29.6 | 0 | 0 | 0 | 0 | 0 | 114.7 | | |
| 605 | S | 31.5 | Very low | 30.1 | Very low | 101 Ų | 101 | 117.5 Ų | 117.5 | 71% | 0.706 | 77% | 0.766 | S | S | * | * | | | trans | -57.3 | 160.8 | 163.3 | -39 | 0 | 0 | 0 | 0 | 114.9 | A607 | S605-A607 PolarHBondContact O-N 2.87Š|
| 606 | E | 30.1 | Very low | 30.2 | Very low | 191 Ų | 191 | 118.7 Ų | 118.7 | 89% | 0.893 | 77% | 0.767 | S | S | * | * | | | trans | 29.4 | 86.7 | 135 | -60.9 | 175.2 | 113.3 | 0 | 0 | 119.4 | | |
| 607 | A | 26.8 | Very low | 30.1 | Very low | 85 Ų | 85 | 116.4 Ų | 116.4 | 70% | 0.702 | 77% | 0.769 | S | S | * | * | | | | -162.3 | 140.9 | 127.3 | 0 | 0 | 0 | 0 | 0 | 112 | S605 | S605-A607 PolarHBondContact O-N 2.87Š|
| 608 | T | 31.1 | Very low | 29.9 | Very low | 125 Ų | 125 | 116 Ų | 116 | 77% | 0.767 | 77% | 0.77 | S | S | * | * | | | trans | 50.8 | 89.6 | 160.5 | 52.2 | 0 | 0 | 0 | 0 | 120.2 | | |
| 609 | T | 31.8 | Very low | 30 | Very low | 128 Ų | 128 | 122.3 Ų | 122.3 | 79% | 0.785 | 78% | 0.778 | S | S | * | * | | | | 40.2 | 151.1 | 112.3 | 62.1 | 0 | 0 | 0 | 0 | 121.8 | | |
| 610 | P | 35.2 | Very low | 29.9 | Very low | 110 Ų | 110 | 124.4 Ų | 124.4 | 71% | 0.714 | 78% | 0.78 | S | S | * | * | | | | -130.7 | 173.5 | -58.2 | 32.2 | -11.1 | 0 | 0 | 0 | 111.3 | | |
| 611 | T | 31.8 | Very low | 29.9 | Very low | 127 Ų | 127 | 122 Ų | 122 | 78% | 0.779 | 77% | 0.773 | S | S | * | * | | | | -178.4 | 150.4 | 72.6 | -56.3 | 0 | 0 | 0 | 0 | 111.6 | | |
| 612 | S | 28.5 | Very low | 29.8 | Very low | 109 Ų | 109 | 127.1 Ų | 127.1 | 76% | 0.762 | 78% | 0.78 | S | S | * | * | | | trans | -63.1 | 167.5 | 176.6 | 51.9 | 0 | 0 | 0 | 0 | 116 | | |
| 613 | G | 27 | Very low | 29.8 | Very low | 69 Ų | 69 | 126.4 Ų | 126.4 | 71% | 0.711 | 78% | 0.783 | S | S | * | * | | | cis | 111.7 | 103.8 | -1.1 | 0 | 0 | 0 | 0 | 0 | 115.8 | | |
| 614 | A | 28.6 | Very low | 29.6 | Very low | 103 Ų | 103 | 124.4 Ų | 124.4 | 85% | 0.851 | 78% | 0.78 | S | S | * | * | | | trans | 54.9 | 150.4 | 156.2 | 0 | 0 | 0 | 0 | 0 | 122.3 | | |
| 615 | P | 36.1 | Very low | 29.8 | Very low | 118 Ų | 118 | 130 Ų | 130 | 77% | 0.766 | 79% | 0.788 | S | S | * | * | | | trans | -136.1 | 164.4 | 147.8 | 43.9 | -31.8 | 0 | 0 | 0 | 111.2 | | |
| 616 | L | 28.1 | Very low | 29.7 | Very low | 163 Ų | 163 | 132.8 Ų | 132.8 | 85% | 0.853 | 79% | 0.79 | S | S | * | * | | | cis | -140.9 | 158.8 | 8 | -73.7 | 172.7 | 0 | 0 | 0 | 110.9 | | |
| 617 | G | 28 | Very low | 30.4 | Very low | 76 Ų | 76 | 128.8 Ų | 128.8 | 78% | 0.784 | 78% | 0.781 | S | S | * | * | | | trans | -167.9 | 126.3 | 162.2 | 0 | 0 | 0 | 0 | 0 | 110.9 | | |
| 618 | C | 29.7 | Very low | 30.6 | Very low | 108 Ų | 108 | 132.5 Ų | 132.5 | 73% | 0.73 | 78% | 0.783 | S | S | * | * | | | trans | -117.3 | 133 | -160.1 | -56.7 | 0 | 0 | 0 | 0 | 114.7 | | |
| 619 | R | 29 | Very low | 30.6 | Very low | 229 Ų | 229 | 131.8 Ų | 131.8 | 86% | 0.864 | 78% | 0.783 | S | S | * | * | | | | 162 | 140.9 | 115.5 | -90.3 | 178.5 | 174 | -170 | -1.6 | 113.6 | | |
| 620 | L | 26.2 | Very low | 30.6 | Very low | 162 Ų | 162 | 131.1 Ų | 131.1 | 85% | 0.848 | 78% | 0.784 | S | S | * | * | | | trans | 45.5 | 142.6 | 146.7 | -79.5 | 83.2 | 0 | 0 | 0 | 120.2 | | |
| 621 | A | 30 | Very low | 30.3 | Very low | 82 Ų | 82 | 134.4 Ų | 134.4 | 68% | 0.678 | 79% | 0.79 | S | S | * | * | | | cis | -148.1 | 174 | 10.2 | 0 | 0 | 0 | 0 | 0 | 113.7 | | |
| 622 | E | 26.4 | Very low | 30.1 | Very low | 174 Ų | 174 | 138.4 Ų | 138.4 | 81% | 0.813 | 80% | 0.796 | S | S | * | * | | | trans | -19.9 | 136.9 | 167.7 | -62.4 | 161.1 | 100.3 | 0 | 0 | 119.5 | | |
| 623 | L | 29.5 | Very low | 29.9 | Very low | 174 Ų | 174 | 139.1 Ų | 139.1 | 91% | 0.911 | 80% | 0.8 | S | S | * | * | | | | -166.6 | 155.4 | 94.1 | -103.4 | 167 | 0 | 0 | 0 | 113 | | |
| 624 | A | 26.8 | Very low | 29.9 | Very low | 88 Ų | 88 | 147.1 Ų | 147.1 | 73% | 0.727 | 81% | 0.808 | S | S | * | * | | | trans | -94.5 | 160.1 | -160.1 | 0 | 0 | 0 | 0 | 0 | 115.9 | | |
| 625 | K | 32.9 | Very low | 29.8 | Very low | 208 Ų | 208 | 148.6 Ų | 148.6 | 90% | 0.904 | 80% | 0.802 | S | S | * | * | | | trans | -157.5 | 93.6 | 142.6 | -111.9 | 172.6 | -175 | 178.5 | 0 | 111.7 | | |
| 626 | E | 29.8 | Very low | 29.5 | Very low | 159 Ų | 159 | 148.7 Ų | 148.7 | 74% | 0.743 | 80% | 0.796 | S | S | * | * | | | trans | -77.7 | 179.4 | 150.8 | -72.8 | -164.9 | 159.1 | 0 | 0 | 109.8 | | |
| 627 | P | 44 | Very low | 29.7 | Very low | 108 Ų | 108 | 146.5 Ų | 146.5 | 70% | 0.701 | 79% | 0.785 | S | S | * | * | | | | -146.9 | 122.8 | 106.5 | 34 | -17 | 0 | 0 | 0 | 116.7 | | |
| 628 | H | 31.2 | Very low | 29.9 | Very low | 163 Ų | 163 | 149 Ų | 149 | 76% | 0.755 | 78% | 0.78 | S | S | * | * | | | trans | 61.4 | 159.4 | 133.3 | -49.2 | -42.4 | 0 | 0 | 0 | 119.2 | | |
| 629 | S | 32.3 | Very low | 30.1 | Very low | 110 Ų | 110 | 150.6 Ų | 150.6 | 77% | 0.769 | 78% | 0.782 | S | S | * | * | | | cis | -156.6 | 162.8 | 24 | 57.1 | 0 | 0 | 0 | 0 | 110.6 | | |
| 630 | S | 30.4 | Very low | 30 | Very low | 113 Ų | 113 | 146.4 Ų | 146.4 | 79% | 0.79 | 78% | 0.777 | S | S | * | * | | | cis | -169.7 | 167.6 | -9.3 | 44 | 0 | 0 | 0 | 0 | 110.1 | | |
| 631 | Q | 28.9 | Very low | 30.3 | Very low | 180 Ų | 180 | 145.1 Ų | 145.1 | 84% | 0.841 | 77% | 0.771 | S | S | * | * | | | trans | -67.4 | 153 | -178.1 | -52.1 | 141.1 | -58.2 | 0 | 0 | 114.6 | | |
| 632 | K | 28.6 | Very low | 30.4 | Very low | 210 Ų | 210 | 146.9 Ų | 146.9 | 91% | 0.913 | 77% | 0.769 | S | S | * | * | | | | -169.1 | 159.7 | 111.9 | -109.4 | 170.9 | -177.9 | 172 | 0 | 114.3 | | |
| 633 | C | 24 | Very low | 30.5 | Very low | 124 Ų | 124 | 144.4 Ų | 144.4 | 84% | 0.838 | 76% | 0.761 | S | S | * | * | | | trans | -90 | 144.9 | -174.6 | -41.3 | 0 | 0 | 0 | 0 | 112.7 | | |
| 634 | R | 28 | Very low | 30.3 | Very low | 238 Ų | 238 | 142.3 Ų | 142.3 | 90% | 0.898 | 75% | 0.751 | S | S | * | * | | | trans | -164.5 | 143.3 | 141.3 | -116.7 | 174.9 | 176.3 | 167.9 | -1.7 | 112.4 | | |
| 635 | N | 25.5 | Very low | 30.4 | Very low | 134 Ų | 134 | 145.8 Ų | 145.8 | 72% | 0.717 | 75% | 0.749 | S | S | * | * | | | trans | 6.3 | 140.7 | 132.8 | -71.7 | 55.3 | 0 | 0 | 0 | 117.2 | | |
| 636 | N | 30 | Very low | 30.1 | Very low | 120 Ų | 120 | 141.5 Ų | 141.5 | 64% | 0.642 | 74% | 0.737 | S | S | * | * | | | cis | -164.7 | 155.9 | 42.7 | -125.1 | 6.5 | 0 | 0 | 0 | 114.3 | | |
| 637 | N | 31.5 | Very low | 30.1 | Very low | 116 Ų | 116 | 144.8 Ų | 144.8 | 62% | 0.62 | 74% | 0.744 | S | S | * | * | | | trans | 68.5 | 124.3 | 138.6 | -68.2 | 5.6 | 0 | 0 | 0 | 124 | | |
| 638 | N | 33.9 | Very low | 29.4 | Very low | 128 Ų | 128 | 143.9 Ų | 143.9 | 68% | 0.684 | 75% | 0.745 | S | S | * | * | | | trans | 78.9 | 127.8 | 136.2 | -57.9 | 6.6 | 0 | 0 | 0 | 118.9 | | |
| 639 | N | 33 | Very low | 29.9 | Very low | 143 Ų | 143 | 141.8 Ų | 141.8 | 77% | 0.765 | 75% | 0.746 | S | S | * | * | | | cis | -144.3 | 142.2 | -2.6 | -103.9 | -13.8 | 0 | 0 | 0 | 112.6 | | |
| 640 | N | 28 | Very low | 29.8 | Very low | 141 Ų | 141 | 143 Ų | 143 | 75% | 0.754 | 75% | 0.748 | S | S | * | * | | | trans | -89.1 | 178.5 | 166.2 | -73.8 | -33.8 | 0 | 0 | 0 | 111.2 | | |
| 641 | N | 31.4 | Very low | 29.8 | Very low | 135 Ų | 135 | 146.6 Ų | 146.6 | 72% | 0.722 | 75% | 0.75 | S | S | * | * | | | trans | 94.1 | 139.3 | 153.6 | -53.1 | -33.5 | 0 | 0 | 0 | 116.9 | | |
| 642 | N | 31.8 | Very low | 29.8 | Very low | 118 Ų | 118 | 142.6 Ų | 142.6 | 63% | 0.631 | 74% | 0.742 | S | S | * | * | | | cis | -156.7 | 136.1 | -17.9 | -103.8 | -26.4 | 0 | 0 | 0 | 107.5 | | |
| 643 | N | 28.2 | Very low | 29.9 | Very low | 123 Ų | 123 | 138.2 Ų | 138.2 | 66% | 0.658 | 73% | 0.733 | S | S | * | * | | | | 55 | 113.4 | 80.3 | -76.8 | -51.7 | 0 | 0 | 0 | 115.9 | | |
| 644 | N | 26.6 | Very low | 30 | Very low | 129 Ų | 129 | 139 Ų | 139 | 69% | 0.69 | 73% | 0.728 | S | S | * | * | | | trans | 67.4 | 150.8 | 138.3 | -67.4 | -47.1 | 0 | 0 | 0 | 118.4 | | |
| 645 | K | 29 | Very low | 29.9 | Very low | 161 Ų | 161 | 135.9 Ų | 135.9 | 70% | 0.7 | 72% | 0.724 | S | S | * | * | | | cis | -164.1 | 161.6 | 3.8 | -123.5 | 165.8 | -168.3 | 175.8 | 0 | 110.5 | | |
| 646 | N | 26.4 | Very low | 30 | Very low | 119 Ų | 119 | 135.1 Ų | 135.1 | 64% | 0.636 | 72% | 0.724 | S | S | * | * | | | trans | 58.7 | 125 | 158.8 | -50 | -12.5 | 0 | 0 | 0 | 116.7 | | |
| 647 | Y | 30.2 | Very low | 29.9 | Very low | 227 Ų | 227 | 137.2 Ų | 137.2 | 89% | 0.89 | 73% | 0.733 | S | S | * | * | | | | -171.2 | 159.5 | 69.6 | -96.4 | -85.7 | 0 | 0 | 0 | 110.5 | | |
| 648 | A | 29.2 | Very low | 29.6 | Very low | 89 Ų | 89 | 136.5 Ų | 136.5 | 74% | 0.736 | 74% | 0.737 | S | S | * | * | | | trans | -117.5 | 173.8 | 173.4 | 0 | 0 | 0 | 0 | 0 | 109.3 | | |
| 649 | P | 40.7 | Very low | 29.3 | Very low | 119 Ų | 119 | 135.1 Ų | 135.1 | 77% | 0.773 | 74% | 0.738 | S | S | * | * | | | cis | -128.6 | -173 | 17.4 | 35.6 | -11.8 | 0 | 0 | 0 | 113.7 | | |
| 650 | V | 30.1 | Very low | 29.1 | Very low | 135 Ų | 135 | 135 Ų | 135 | 82% | 0.818 | 74% | 0.737 | S | S | * | * | | | | -161.8 | 168.2 | 70.8 | 167 | 0 | 0 | 0 | 0 | 111.4 | | |
| 651 | K | 30.8 | Very low | 29.1 | Very low | 190 Ų | 190 | 136.7 Ų | 136.7 | 83% | 0.826 | 74% | 0.74 | S | S | * | * | | | trans | -72.3 | 175.2 | -173.8 | -50.1 | 171.5 | -177.7 | 176.3 | 0 | 113 | | |
| 652 | S | 29.1 | Very low | 28.9 | Very low | 96 Ų | 96 | 137.9 Ų | 137.9 | 67% | 0.671 | 75% | 0.746 | S | S | * | * | | | cis | -167.3 | 156.3 | 22.1 | -8.1 | 0 | 0 | 0 | 0 | 114.5 | | |
| 653 | V | 30.7 | Very low | 28.8 | Very low | 118 Ų | 118 | 138.5 Ų | 138.5 | 72% | 0.715 | 75% | 0.748 | S | S | * | * | | | trans | 68.2 | 113.1 | 142.9 | 175.8 | 0 | 0 | 0 | 0 | 120.2 | | |
| 654 | D | 26 | Very low | 28.8 | Very low | 140 Ų | 140 | 139.8 Ų | 139.8 | 75% | 0.749 | 76% | 0.755 | S | S | * | * | | | | 35.5 | 151.8 | 116 | -31.6 | -52.1 | 0 | 0 | 0 | 120.2 | | |
| 655 | E | 25.8 | Very low | 28.8 | Very low | 173 Ų | 173 | 141.1 Ų | 141.1 | 81% | 0.808 | 76% | 0.757 | S | S | * | * | | | cis | -152.4 | 157.1 | 32.9 | -96.7 | -161.7 | 117.7 | 0 | 0 | 114.9 | | |
| 656 | V | 26.5 | Very low | 28.9 | Very low | 117 Ų | 117 | 138.1 Ų | 138.1 | 71% | 0.709 | 76% | 0.755 | S | S | * | * | | | trans | 44.7 | 118.3 | 136.8 | -172.8 | 0 | 0 | 0 | 0 | 121.5 | | |
| 657 | I | 29.8 | Very low | 29 | Very low | 165 Ų | 165 | 139.3 Ų | 139.3 | 85% | 0.846 | 76% | 0.76 | S | S | * | * | | | | -169.5 | 153.1 | 112 | -95.5 | -178 | 0 | 0 | 0 | 109.9 | | |
| 658 | S | 24.9 | Very low | 28.8 | Very low | 100 Ų | 100 | 136.1 Ų | 136.1 | 70% | 0.699 | 76% | 0.758 | S | S | * | * | | | trans | -100.5 | 153.9 | -178 | 174 | 0 | 0 | 0 | 0 | 113.6 | | |
| 659 | S | 28 | Very low | 28.9 | Very low | 99 Ų | 99 | 137.1 Ų | 137.1 | 69% | 0.692 | 76% | 0.756 | S | S | * | * | | | trans | 130.8 | 116.9 | 132.2 | -50.2 | 0 | 0 | 0 | 0 | 117.2 | | |
| 660 | N | 27.2 | Very low | 28.4 | Very low | 142 Ų | 142 | 142.3 Ų | 142.3 | 76% | 0.759 | 76% | 0.76 | S | S | * | * | | | trans | 55.9 | 137 | 138 | -65 | 18.4 | 0 | 0 | 0 | 124.9 | | |
| 661 | E | 28.7 | Very low | 28.3 | Very low | 175 Ų | 175 | 142.4 Ų | 142.4 | 82% | 0.818 | 76% | 0.756 | S | S | * | * | | | trans | 70.5 | 75.7 | 138.6 | -68.1 | 175.3 | 169 | 0 | 0 | 121.5 | | |
| 662 | L | 27.1 | Very low | 28.2 | Very low | 160 Ų | 160 | 137.8 Ų | 137.8 | 84% | 0.838 | 75% | 0.748 | S | S | * | * | | | | 7.7 | 117.6 | 119.1 | -116.3 | 167.5 | 0 | 0 | 0 | 118.4 | | |
| 663 | I | 30.4 | Very low | 28.3 | Very low | 132 Ų | 132 | 140.7 Ų | 140.7 | 68% | 0.677 | 75% | 0.75 | S | S | * | * | | | | 166.7 | 128.2 | 116.2 | -85.9 | 161.5 | 0 | 0 | 0 | 112.5 | | |
| 664 | N | 27.4 | Very low | 28.3 | Very low | 149 Ų | 149 | 143.4 Ų | 143.4 | 80% | 0.797 | 75% | 0.753 | S | S | * | * | | | trans | 168.5 | 120.7 | 141.5 | -88.4 | -40.3 | 0 | 0 | 0 | 107 | | |
| 665 | H | 27.3 | Very low | 28.4 | Very low | 158 Ų | 158 | 142 Ų | 142 | 73% | 0.731 | 75% | 0.745 | S | S | * | * | | | | 55.1 | 132.4 | 65.3 | -83.7 | -91.2 | 0 | 0 | 0 | 113.5 | | |
| 666 | C | 31.5 | Very low | 28.5 | Very low | 97 Ų | 97 | 141.3 Ų | 141.3 | 66% | 0.655 | 74% | 0.742 | S | S | * | * | | | cis | -150.7 | 144.5 | 23.4 | -114.7 | 0 | 0 | 0 | 0 | 115.4 | | |
| 667 | L | 27.6 | Very low | 28.6 | Very low | 144 Ų | 144 | 141.4 Ų | 141.4 | 75% | 0.754 | 75% | 0.747 | S | S | * | * | | | | 40.8 | 144.3 | 129.8 | -58.4 | 174.8 | 0 | 0 | 0 | 123.9 | | |
| 668 | N | 26.6 | Very low | 28.6 | Very low | 160 Ų | 160 | 136.8 Ų | 136.8 | 86% | 0.856 | 74% | 0.74 | S | S | * | * | | | trans | -150.5 | 151 | 143.4 | -145.1 | -22 | 0 | 0 | 0 | 111 | | |
| 669 | T | 30.2 | Very low | 28.7 | Very low | 110 Ų | 110 | 138.4 Ų | 138.4 | 68% | 0.675 | 75% | 0.745 | S | S | * | * | | | trans | -150.5 | 151.8 | -168 | 54.9 | 0 | 0 | 0 | 0 | 115.3 | | |
| 670 | R | 30.2 | Very low | 28.7 | Very low | 228 Ų | 228 | 140.3 Ų | 140.3 | 86% | 0.86 | 75% | 0.747 | S | S | * | * | | | trans | 169.3 | 157.7 | 161.8 | -98.4 | 153.6 | -179.7 | -171.7 | 0.4 | 109.4 | | |
| 671 | N | 29.3 | Very low | 28.6 | Very low | 138 Ų | 138 | 143.7 Ų | 143.7 | 74% | 0.738 | 75% | 0.75 | S | S | * | * | | | cis | -169.6 | 147.7 | -27.2 | -109.1 | 15.7 | 0 | 0 | 0 | 106.1 | | |
| 672 | S | 28.5 | Very low | 28.4 | Very low | 93 Ų | 93 | 139.4 Ų | 139.4 | 65% | 0.65 | 74% | 0.739 | S | S | * | * | | | | 160.9 | 166.4 | 80.4 | 48.3 | 0 | 0 | 0 | 0 | 111.9 | | |
| 673 | H | 31.3 | Very low | 28.5 | Very low | 157 Ų | 157 | 139.5 Ų | 139.5 | 73% | 0.727 | 74% | 0.741 | S | S | * | * | | | trans | 65.3 | 122.2 | 169.9 | -61.9 | -79.2 | 0 | 0 | 0 | 118.2 | | |
| 674 | F | 29.3 | Very low | 28.3 | Very low | 175 Ų | 175 | 137.4 Ų | 137.4 | 77% | 0.768 | 74% | 0.744 | S | S | * | * | | | | 79.1 | 135.8 | 54.5 | -75.1 | -59.7 | 0 | 0 | 0 | 112.8 | | |
| 675 | N | 28.1 | Very low | 28.1 | Very low | 109 Ų | 109 | 138.9 Ų | 138.9 | 58% | 0.583 | 75% | 0.745 | S | S | * | * | | | cis | -161.4 | 166.2 | 11.6 | -142.6 | -16.4 | 0 | 0 | 0 | 116.3 | | |
| 676 | H | 28.9 | Very low | 27.9 | Very low | 160 Ų | 160 | 135.6 Ų | 135.6 | 74% | 0.741 | 74% | 0.741 | S | S | * | * | | | trans | 76.2 | 150.7 | 147.7 | -73.3 | -41.4 | 0 | 0 | 0 | 125.9 | | |
| 677 | S | 28.5 | Very low | 27.5 | Very low | 119 Ų | 119 | 139 Ų | 139 | 83% | 0.832 | 75% | 0.747 | S | S | * | * | | | trans | 62.6 | 132.6 | 172.5 | 62.4 | 0 | 0 | 0 | 0 | 119.3 | | |
| 678 | G | 30.2 | Very low | 27.3 | Very low | 67 Ų | 67 | 137.1 Ų | 137.1 | 69% | 0.691 | 75% | 0.745 | S | S | * | * | | | cis | -115.9 | 159.9 | -6.4 | 0 | 0 | 0 | 0 | 0 | 113.1 | | |
| 679 | V | 26.2 | Very low | 27.3 | Very low | 134 Ų | 134 | 136.4 Ų | 136.4 | 81% | 0.812 | 74% | 0.74 | S | S | * | * | | | cis | 76.6 | 121.6 | 45.7 | 172.8 | 0 | 0 | 0 | 0 | 111 | | |
| 680 | I | 28.3 | Very low | 27.2 | Very low | 140 Ų | 140 | 138.8 Ų | 138.8 | 72% | 0.718 | 74% | 0.744 | S | S | * | * | | | cis | -152.2 | 168 | -1.9 | -128.1 | 174.8 | 0 | 0 | 0 | 112.7 | | |
| 681 | Y | 24.6 | Very low | 27.2 | Very low | 212 Ų | 212 | 133.3 Ų | 133.3 | 83% | 0.831 | 74% | 0.736 | S | S | * | * | | | trans | -38.2 | 174.4 | 157 | -82.1 | -111.9 | 0 | 0 | 0 | 115.2 | | |
| 682 | S | 25.5 | Very low | 27.1 | Very low | 85 Ų | 85 | 133.6 Ų | 133.6 | 59% | 0.594 | 74% | 0.737 | S | S | * | * | | | | -174.8 | 169.3 | 57.1 | -58.6 | 0 | 0 | 0 | 0 | 112.2 | | |
| 683 | N | 27.7 | Very low | 27 | Very low | 162 Ų | 162 | 133.5 Ų | 133.5 | 87% | 0.866 | 74% | 0.737 | S | S | * | * | | | trans | 69.1 | 138.5 | 164.2 | -53.3 | -11.9 | 0 | 0 | 0 | 115.8 | | |
| 684 | A | 28 | Very low | 27 | Very low | 89 Ų | 89 | 131.5 Ų | 131.5 | 74% | 0.736 | 74% | 0.74 | S | S | * | * | | | cis | -150.8 | 152.1 | -17 | 0 | 0 | 0 | 0 | 0 | 105.6 | | |
| 685 | Q | 23 | Very low | 27 | Very low | 179 Ų | 179 | 133.6 Ų | 133.6 | 84% | 0.836 | 74% | 0.744 | S | S | * | * | | | cis | 68.2 | 126.8 | 36.1 | -149.7 | 178.8 | 2.6 | 0 | 0 | 115 | | |
| 686 | S | 22.5 | Very low | 26.8 | Very low | 90 Ų | 90 | 135.3 Ų | 135.3 | 63% | 0.629 | 75% | 0.754 | S | S | * | * | | | trans | 76.3 | 152.3 | 164.9 | -61 | 0 | 0 | 0 | 0 | 120.2 | | |
| 687 | E | 23.5 | Very low | 26.6 | Very low | 169 Ų | 169 | 132.9 Ų | 132.9 | 79% | 0.79 | 75% | 0.75 | S | S | * | * | | | trans | 55.9 | 90.5 | 158.1 | -73.2 | 145.4 | -120.2 | 0 | 0 | 118 | | |
| 688 | S | 23.6 | Very low | 26.5 | Very low | 103 Ų | 103 | 133.9 Ų | 133.9 | 72% | 0.72 | 75% | 0.751 | S | S | * | * | | | | 80.5 | 124.7 | 63.7 | 79.2 | 0 | 0 | 0 | 0 | 114.4 | | |
| 689 | I | 26.8 | Very low | 26.5 | Very low | 146 Ų | 146 | 141.7 Ų | 141.7 | 75% | 0.749 | 76% | 0.76 | S | S | * | * | | | trans | -165.5 | 125.8 | 133.8 | -104.7 | 158.6 | 0 | 0 | 0 | 109.2 | | |
| 690 | Q | 28.3 | Very low | 26.8 | Very low | 160 Ų | 160 | 140.4 Ų | 140.4 | 75% | 0.748 | 75% | 0.754 | S | S | * | * | | | trans | 57.1 | 113.7 | 151.3 | -65.3 | 172.3 | -6.8 | 0 | 0 | 121.5 | | |
| 691 | T | 28.5 | Very low | 26.8 | Very low | 112 Ų | 112 | 141.1 Ų | 141.1 | 69% | 0.687 | 76% | 0.758 | S | S | * | * | | | | 75 | 143 | 124.4 | 64.7 | 0 | 0 | 0 | 0 | 120.2 | | |
| 692 | N | 28.7 | Very low | 26.8 | Very low | 145 Ų | 145 | 138.2 Ų | 138.2 | 78% | 0.775 | 76% | 0.757 | S | S | * | * | | | cis | -149.7 | 156.5 | -9.2 | -115.1 | -7.4 | 0 | 0 | 0 | 113.7 | | |
| 693 | S | 25.4 | Very low | 26.9 | Very low | 91 Ų | 91 | 142.5 Ų | 142.5 | 64% | 0.636 | 77% | 0.772 | S | S | * | * | | | trans | -28.6 | 151.1 | 166.4 | 54.4 | 0 | 0 | 0 | 0 | 118.9 | | |
| 694 | S | 32 | Very low | 26.9 | Very low | 115 Ų | 115 | 139.6 Ų | 139.6 | 80% | 0.804 | 77% | 0.765 | S | S | * | * | | | trans | -48 | 148 | 152.1 | -43.5 | 0 | 0 | 0 | 0 | 112.2 | | |
| 695 | Y | 28.2 | Very low | 27.2 | Very low | 218 Ų | 218 | 140.7 Ų | 140.7 | 86% | 0.855 | 76% | 0.764 | S | S | * | * | | | trans | -139.4 | 151.1 | 145.1 | -114.4 | -82.1 | 0 | 0 | 0 | 110.6 | | |
| 696 | D | 23.6 | Very low | 27.3 | Very low | 145 Ų | 145 | 135.8 Ų | 135.8 | 78% | 0.775 | 75% | 0.754 | S | S | * | * | | | trans | -90.6 | -166.5 | -176.9 | -154.2 | -32 | 0 | 0 | 0 | 110.4 | | |
| 697 | T | 24.7 | Very low | 27.5 | Very low | 109 Ų | 109 | 138.5 Ų | 138.5 | 67% | 0.669 | 76% | 0.762 | S | S | * | * | | | trans | 82.1 | 117.6 | 156.1 | 43.8 | 0 | 0 | 0 | 0 | 120.7 | | |
| 698 | V | 27.8 | Very low | 27.8 | Very low | 141 Ų | 141 | 138.3 Ų | 138.3 | 86% | 0.855 | 77% | 0.765 | S | S | * | * | | | trans | 100 | 133.8 | 135.4 | 170 | 0 | 0 | 0 | 0 | 119.1 | | |
| 699 | R | 30.4 | Very low | 27.8 | Very low | 230 Ų | 230 | 145.2 Ų | 145.2 | 87% | 0.868 | 78% | 0.775 | S | S | * | * | | | trans | -92.3 | -156.7 | 178.6 | -47.7 | 178.7 | 175.3 | -175.2 | -2 | 108.6 | | |
| 700 | P | 32.6 | Very low | 28 | Very low | 107 Ų | 107 | 143.1 Ų | 143.1 | 70% | 0.695 | 77% | 0.774 | S | S | * | * | | | cis | -136.8 | -177.6 | -12.2 | 28.1 | -3.5 | 0 | 0 | 0 | 114.5 | | |
| 701 | I | 28.1 | Very low | 28 | Very low | 156 Ų | 156 | 142.5 Ų | 142.5 | 80% | 0.8 | 78% | 0.776 | S | S | * | * | | | | 161.4 | 145.3 | 120.6 | -82.8 | 164.6 | 0 | 0 | 0 | 110.1 | | |
| 702 | N | 24.2 | Very low | 28 | Very low | 150 Ų | 150 | 147 Ų | 147 | 80% | 0.802 | 79% | 0.786 | S | S | * | * | | | trans | -80.9 | 157.1 | -179.9 | -57.5 | -62.6 | 0 | 0 | 0 | 112.4 | | |
| 703 | L | 28.1 | Very low | 27.9 | Very low | 175 Ų | 175 | 147.6 Ų | 147.6 | 92% | 0.916 | 79% | 0.789 | S | S | * | * | | | trans | -159.2 | 147.9 | 133.6 | -103.4 | 152.6 | 0 | 0 | 0 | 109.6 | | |
| 704 | S | 27 | Very low | 28.2 | Very low | 102 Ų | 102 | 149.8 Ų | 149.8 | 71% | 0.713 | 80% | 0.798 | S | S | * | * | | | trans | -114.4 | 179.5 | 173 | 76.7 | 0 | 0 | 0 | 0 | 108.4 | | |
| 705 | P | 33.7 | Very low | 28.1 | Very low | 111 Ų | 111 | 149.9 Ų | 149.9 | 72% | 0.721 | 80% | 0.798 | S | S | * | * | | | | -154.1 | -178.7 | 51.4 | 43.9 | -22.2 | 0 | 0 | 0 | 118.6 | | |
| 706 | A | 26.5 | Very low | 28.1 | Very low | 77 Ų | 77 | 150.6 Ų | 150.6 | 64% | 0.636 | 80% | 0.8 | S | S | * | * | | | trans | 75.1 | 148.1 | 140.9 | 0 | 0 | 0 | 0 | 0 | 123.7 | | |
| 707 | N | 25.9 | Very low | 28.5 | Very low | 147 Ų | 147 | 149.7 Ų | 149.7 | 79% | 0.786 | 80% | 0.801 | S | S | * | * | | | trans | 60.2 | 102.8 | 147.8 | -63.9 | -7.3 | 0 | 0 | 0 | 118.3 | | |
| 708 | L | 29.1 | Very low | 28.6 | Very low | 164 Ų | 164 | 150 Ų | 150 | 86% | 0.859 | 81% | 0.808 | S | S | * | * | | | | -167.5 | 144.3 | 51.4 | -92.7 | 154.5 | 0 | 0 | 0 | 111.5 | | |
| 709 | R | 24.5 | Very low | 28.6 | Very low | 248 Ų | 248 | 151 Ų | 151 | 94% | 0.936 | 81% | 0.808 | S | S | * | * | | | trans | -123.8 | 128.8 | 160.4 | -97.6 | -175 | 171.2 | 179.8 | -1.8 | 108.4 | | |
| 710 | S | 31.3 | Very low | 28.8 | Very low | 103 Ų | 103 | 145.8 Ų | 145.8 | 72% | 0.72 | 80% | 0.804 | S | S | * | * | | | trans | -125.8 | 100.8 | 176.4 | 57.7 | 0 | 0 | 0 | 0 | 111.5 | | |
| 711 | N | 27.2 | Very low | 28.4 | Very low | 147 Ų | 147 | 147.7 Ų | 147.7 | 79% | 0.786 | 81% | 0.808 | S | S | * | * | | | trans | 35.6 | 94.3 | 142.8 | -55.6 | -12 | 0 | 0 | 0 | 118.1 | | |
| 712 | F | 28.7 | Very low | 28.5 | Very low | 205 Ų | 205 | 148.3 Ų | 148.3 | 90% | 0.899 | 81% | 0.807 | S | S | * | * | | | trans | -116.3 | 107.4 | 141.6 | -100.6 | -85 | 0 | 0 | 0 | 108.7 | | |
| 713 | L | 27.5 | Very low | 28.8 | Very low | 158 Ų | 158 | 146.9 Ų | 146.9 | 83% | 0.827 | 80% | 0.804 | S | S | * | * | | | trans | -113.5 | 110.7 | 170.2 | -75.5 | 174.6 | 0 | 0 | 0 | 108.9 | | |
| 714 | V | 30.9 | Very low | 28.6 | Very low | 137 Ų | 137 | 143.8 Ų | 143.8 | 83% | 0.83 | 80% | 0.797 | S | S | * | * | | | trans | -123.1 | 117 | 156.6 | 177.6 | 0 | 0 | 0 | 0 | 106.1 | R716 | V714-R716 PolarHBondContact O-N 3.46Š|
| 715 | S | 29.9 | Very low | 28.9 | Very low | 117 Ų | 117 | 145.3 Ų | 145.3 | 82% | 0.818 | 80% | 0.802 | S | S | * | * | P | Polyproline II helix | trans | -68.9 | 126.6 | -163 | -49.4 | 0 | 0 | 0 | 0 | 113.1 | | |
| 716 | R | 28.5 | Very low | 28.7 | Very low | 234 Ų | 234 | 146 Ų | 146 | 88% | 0.883 | 80% | 0.8 | S | S | * | * | P | Polyproline II helix | trans | -82.4 | 151.6 | 153.6 | -83.2 | -174.4 | 170 | -169.6 | -2.3 | 109.6 | V714 | V714-R716 PolarHBondContact O-N 3.46Š|
| 717 | P | 31.5 | Very low | 28.9 | Very low | 125 Ų | 125 | 148.9 Ų | 148.9 | 81% | 0.812 | 80% | 0.804 | S | S | * | * | P | Polyproline II helix | trans | -67.3 | 140.4 | 176.9 | 28.2 | -34.3 | 0 | 0 | 0 | 111.7 | | |
| 718 | S | 26.6 | Very low | 29.1 | Very low | 116 Ų | 116 | 148 Ų | 148 | 81% | 0.811 | 80% | 0.799 | S | S | * | * | | | trans | -43.5 | 122.3 | 179.5 | 50 | 0 | 0 | 0 | 0 | 116.6 | | |
| 719 | L | 29.4 | Very low | 29.3 | Very low | 161 Ų | 161 | 147.9 Ų | 147.9 | 84% | 0.843 | 79% | 0.794 | S | S | * | * | | | trans | -136 | 135.4 | 144.1 | -88.6 | 170.5 | 0 | 0 | 0 | 107.3 | | |
| 720 | P | 33.2 | Very low | 29.7 | Very low | 122 Ų | 122 | 143.5 Ų | 143.5 | 79% | 0.792 | 79% | 0.788 | S | S | * | * | | | trans | -82.3 | 139.1 | -172.3 | 31.6 | -34.4 | 0 | 0 | 0 | 113.4 | | |
| 721 | L | 25.4 | Very low | 29.4 | Very low | 147 Ų | 147 | 143.6 Ų | 143.6 | 77% | 0.77 | 79% | 0.788 | S | S | * | * | | | trans | -86.4 | 163.6 | 144.8 | -67.7 | 84.3 | 0 | 0 | 0 | 106.5 | | |
| 722 | E | 28.8 | Very low | 29.6 | Very low | 168 Ų | 168 | 145 Ų | 145 | 79% | 0.785 | 79% | 0.79 | S | S | * | * | | | cis | -143.1 | 131.4 | 36.9 | -92.5 | -174.7 | 176.9 | 0 | 0 | 111.2 | | |
| 723 | T | 30.9 | Very low | 29.7 | Very low | 121 Ų | 121 | 140.9 Ų | 140.9 | 74% | 0.742 | 78% | 0.781 | S | S | * | * | | | | 54.5 | 125.2 | 103.6 | 61.7 | 0 | 0 | 0 | 0 | 117.1 | | |
| 724 | S | 25.2 | Very low | 29.9 | Very low | 110 Ų | 110 | 139.9 Ų | 139.9 | 77% | 0.769 | 77% | 0.772 | S | S | * | * | | | trans | -72 | 142.9 | -175.4 | 51.6 | 0 | 0 | 0 | 0 | 115.9 | | |
| 725 | V | 33.2 | Very low | 29.8 | Very low | 134 Ų | 134 | 142.3 Ų | 142.3 | 81% | 0.812 | 77% | 0.768 | S | S | * | * | | | trans | -139.8 | 124.5 | 139.6 | 179.7 | 0 | 0 | 0 | 0 | 108.4 | | |
| 726 | N | 29.6 | Very low | 30.4 | Very low | 126 Ų | 126 | 141.1 Ų | 141.1 | 67% | 0.674 | 76% | 0.757 | S | S | * | * | | | trans | 11.8 | 146.8 | 138.2 | -68.8 | 48.9 | 0 | 0 | 0 | 119.7 | | |
| 727 | D | 30.4 | Very low | 30.3 | Very low | 137 Ų | 137 | 140.2 Ų | 140.2 | 73% | 0.733 | 75% | 0.754 | S | S | * | * | | | cis | -155.1 | 160.5 | 19.2 | -102.6 | -32.3 | 0 | 0 | 0 | 114 | | |
| 728 | D | 30 | Very low | 30.3 | Very low | 127 Ų | 127 | 141 Ų | 141 | 68% | 0.679 | 75% | 0.746 | S | S | * | * | | | trans | 69.9 | 143.2 | 145.8 | -107.3 | 2.8 | 0 | 0 | 0 | 127.2 | | |
| 729 | Q | 33.2 | Very low | 30.7 | Very low | 163 Ų | 163 | 142.8 Ų | 142.8 | 76% | 0.762 | 74% | 0.741 | S | S | * | * | | | trans | 62.2 | 129.2 | 153 | -63.5 | 167.2 | 52.4 | 0 | 0 | 118.3 | | |
| 730 | I | 31.7 | Very low | 30.8 | Very low | 155 Ų | 155 | 139.2 Ų | 139.2 | 80% | 0.795 | 73% | 0.73 | S | S | * | * | | | cis | -142.3 | 149.3 | 38.6 | -72.7 | 172 | 0 | 0 | 0 | 112.1 | | |
| 731 | S | 25.4 | Very low | 30.7 | Very low | 105 Ų | 105 | 138 Ų | 138 | 73% | 0.734 | 72% | 0.723 | S | S | * | * | | | trans | -137 | 116.7 | 170.1 | 61.4 | 0 | 0 | 0 | 0 | 113.2 | | |
| 732 | H | 31.4 | Very low | 31 | Very low | 178 Ų | 178 | 139.2 Ų | 139.2 | 82% | 0.824 | 73% | 0.725 | S | S | * | * | | | trans | -170.8 | 141.3 | 173.3 | -90.5 | -54.5 | 0 | 0 | 0 | 107.7 | | |
| 733 | V | 31.9 | Very low | 31.2 | Very low | 117 Ų | 117 | 139 Ų | 139 | 71% | 0.709 | 72% | 0.724 | S | S | * | * | | | cis | -143.1 | 128.4 | 2.1 | -166.1 | 0 | 0 | 0 | 0 | 105.6 | | |
| 734 | H | 30 | Very low | 31.1 | Very low | 137 Ų | 137 | 138.2 Ų | 138.2 | 63% | 0.634 | 72% | 0.715 | S | S | * | * | | | | 44.3 | 147.2 | 88.8 | -80.7 | -48.2 | 0 | 0 | 0 | 115.9 | | |
| 735 | Y | 29.6 | Very low | 31.4 | Very low | 189 Ų | 189 | 142.5 Ų | 142.5 | 74% | 0.741 | 72% | 0.716 | S | S | * | * | | | cis | -168.5 | -168.6 | 9.5 | -114.8 | -39.5 | 0 | 0 | 0 | 107.4 | | |
| 736 | P | 41.7 | Very low | 31.3 | Very low | 91 Ų | 91 | 141 Ų | 141 | 59% | 0.591 | 71% | 0.711 | S | S | * | * | | | cis | -136.9 | 172.8 | -42 | 39.7 | -23.6 | 0 | 0 | 0 | 115.6 | | |
| 737 | R | 28.1 | Very low | 31.3 | Very low | 216 Ų | 216 | 144 Ų | 144 | 82% | 0.815 | 72% | 0.722 | S | S | * | * | | | trans | 66.9 | 147.9 | 149.2 | -80 | 166.1 | 178.1 | 162.6 | 1.2 | 118.8 | | |
| 738 | H | 31.7 | Very low | 31.9 | Very low | 142 Ų | 142 | 142.1 Ų | 142.1 | 66% | 0.657 | 72% | 0.717 | S | S | * | * | | | cis | -146.5 | -174.7 | 7.4 | -114.9 | -64.2 | 0 | 0 | 0 | 108.2 | | |
| 739 | H | 33 | Very low | 31.8 | Very low | 152 Ų | 152 | 142.5 Ų | 142.5 | 70% | 0.704 | 72% | 0.724 | S | S | * | * | | | cis | -149.8 | -157.6 | 9.1 | -141.5 | -77.8 | 0 | 0 | 0 | 111.4 | | |
| 740 | S | 32.5 | Very low | 31.6 | Very low | 87 Ų | 87 | 139.7 Ų | 139.7 | 61% | 0.608 | 72% | 0.722 | S | S | * | * | | | trans | -43.6 | 159.6 | 169.4 | -62.5 | 0 | 0 | 0 | 0 | 118.1 | | |
| 741 | C | 32 | Very low | 31.5 | Very low | 96 Ų | 96 | 140 Ų | 140 | 65% | 0.649 | 72% | 0.72 | S | S | * | * | | | cis | -167.9 | -161 | -9.2 | -99.5 | 0 | 0 | 0 | 0 | 107.9 | | |
| 742 | E | 31 | Very low | 31.6 | Very low | 172 Ų | 172 | 143.6 Ų | 143.6 | 80% | 0.804 | 72% | 0.719 | S | S | * | * | | | cis | -154.8 | -143.2 | 10.4 | -150.1 | 100.8 | -106.6 | 0 | 0 | 111.5 | | |
| 743 | E | 31.8 | Very low | 31.4 | Very low | 163 Ų | 163 | 145.3 Ų | 145.3 | 76% | 0.762 | 72% | 0.718 | S | S | * | * | | | trans | -109.2 | -177.6 | -173.8 | -47.1 | 178.8 | 152.5 | 0 | 0 | 112.9 | | |
| 744 | N | 29.8 | Very low | 31.3 | Very low | 105 Ų | 105 | 148.3 Ų | 148.3 | 56% | 0.561 | 72% | 0.722 | S | S | * | * | | | cis | -165.5 | 163 | 14.5 | -139.7 | -30.1 | 0 | 0 | 0 | 114.9 | | |
| 745 | Y | 31.1 | Very low | 31.2 | Very low | 200 Ų | 200 | 148.8 Ų | 148.8 | 78% | 0.784 | 73% | 0.728 | S | S | * | * | | | trans | 63.1 | 128.1 | 157.3 | -74.8 | -65.6 | 0 | 0 | 0 | 128 | | |
| 746 | S | 30.9 | Very low | 31.1 | Very low | 103 Ų | 103 | 144 Ų | 144 | 72% | 0.72 | 72% | 0.723 | S | S | * | * | | | trans | 79.7 | 92.6 | 131.7 | -62.8 | 0 | 0 | 0 | 0 | 126.4 | | |
| 747 | Q | 31 | Very low | 30.5 | Very low | 190 Ų | 190 | 147.2 Ų | 147.2 | 89% | 0.888 | 73% | 0.734 | S | S | * | * | | | | 43.7 | 164.4 | 109.5 | -103.4 | -166.5 | 7.5 | 0 | 0 | 124.5 | | |
| 748 | P | 42.3 | Very low | 30.6 | Very low | 97 Ų | 97 | 143.4 Ų | 143.4 | 63% | 0.63 | 73% | 0.728 | S | S | * | * | | | | -132.5 | -157 | -109 | 45.4 | -26.8 | 0 | 0 | 0 | 117.2 | | |
| 749 | T | 28.4 | Very low | 30.5 | Very low | 135 Ų | 135 | 144.2 Ų | 144.2 | 83% | 0.828 | 74% | 0.738 | S | S | * | * | | | trans | 83.8 | 152.6 | 177.5 | 73.8 | 0 | 0 | 0 | 0 | 116.5 | | |
| 750 | S | 28.8 | Very low | 30.3 | Very low | 104 Ų | 104 | 140.1 Ų | 140.1 | 73% | 0.727 | 74% | 0.736 | S | S | * | * | | | cis | -168.9 | 161.9 | -26.3 | 51.4 | 0 | 0 | 0 | 0 | 112.1 | | |
| 751 | E | 29.7 | Very low | 30.2 | Very low | 162 Ų | 162 | 142 Ų | 142 | 76% | 0.757 | 75% | 0.749 | S | S | * | * | | | trans | 81.4 | 131.1 | 158.2 | -59.8 | -141.2 | 135.5 | 0 | 0 | 124.8 | | |
| 752 | Y | 27 | Very low | 30.1 | Very low | 180 Ų | 180 | 142.6 Ų | 142.6 | 71% | 0.706 | 75% | 0.754 | S | S | * | * | | | trans | 56.2 | 131.5 | 139 | -75.8 | -54.1 | 0 | 0 | 0 | 128.5 | | |
| 753 | R | 27.6 | Very low | 30.1 | Very low | 214 Ų | 214 | 141 Ų | 141 | 81% | 0.808 | 75% | 0.747 | S | S | * | * | | | trans | 83.9 | 103.3 | 132.9 | -77.4 | -179 | -173.8 | -163.2 | 4.5 | 123.9 | | |
| 754 | K | 29.4 | Very low | 30.1 | Very low | 179 Ų | 179 | 141.2 Ų | 141.2 | 78% | 0.778 | 75% | 0.746 | S | S | * | * | | | | 77.5 | 135.1 | 107.6 | -134.6 | -168.1 | -176.6 | -175.7 | 0 | 121.7 | | |
| 755 | L | 27.3 | Very low | 30.1 | Very low | 147 Ų | 147 | 143.8 Ų | 143.8 | 77% | 0.77 | 76% | 0.758 | S | S | * | * | | | trans | 74.9 | 149.3 | 162.8 | -50.3 | 179.5 | 0 | 0 | 0 | 117.4 | | |
| 756 | S | 28.8 | Very low | 30.3 | Very low | 90 Ų | 90 | 137.2 Ų | 137.2 | 63% | 0.629 | 75% | 0.751 | S | S | * | * | | | cis | -171.8 | 145.2 | -25.6 | 53.9 | 0 | 0 | 0 | 0 | 113.4 | | |
| 757 | L | 28.3 | Very low | 30.4 | Very low | 158 Ų | 158 | 139.2 Ų | 139.2 | 83% | 0.827 | 75% | 0.753 | S | S | * | * | | | trans | 74.7 | 139.1 | 147.2 | -80.2 | 162.1 | 0 | 0 | 0 | 123.3 | | |
| 758 | I | 31 | Very low | 30.5 | Very low | 135 Ų | 135 | 136.6 Ų | 136.6 | 69% | 0.692 | 75% | 0.746 | S | S | * | * | | | trans | 91.3 | 117.7 | 147.4 | -69.2 | 157.9 | 0 | 0 | 0 | 121.4 | | |
| 759 | N | 29.6 | Very low | 30.1 | Very low | 160 Ų | 160 | 138.7 Ų | 138.7 | 86% | 0.856 | 75% | 0.752 | S | S | * | * | | | trans | 45.7 | 150.1 | 149.9 | -57.4 | -4.7 | 0 | 0 | 0 | 122.2 | | |
| 760 | G | 28.9 | Very low | 30.4 | Very low | 66 Ų | 66 | 137.1 Ų | 137.1 | 68% | 0.68 | 75% | 0.746 | S | S | * | * | | | cis | 159.7 | 170 | -5.6 | 0 | 0 | 0 | 0 | 0 | 113.5 | | |
| 761 | S | 30.2 | Very low | 30.5 | Very low | 126 Ų | 126 | 138.8 Ų | 138.8 | 88% | 0.881 | 75% | 0.747 | S | S | * | * | | | trans | 72 | 115.2 | 167.4 | -58.7 | 0 | 0 | 0 | 0 | 118.7 | | |
| 762 | S | 28.6 | Very low | 30.6 | Very low | 108 Ų | 108 | 137.3 Ų | 137.3 | 76% | 0.755 | 74% | 0.744 | S | S | * | * | | | | 99.5 | 158.5 | 93.9 | -148.9 | 0 | 0 | 0 | 0 | 111.7 | | |
| 763 | Q | 32.6 | Very low | 30.8 | Very low | 139 Ų | 139 | 136.1 Ų | 136.1 | 65% | 0.65 | 75% | 0.75 | S | S | * | * | | | cis | -171.2 | 164.6 | 30.7 | -155.6 | 166.1 | 14.6 | 0 | 0 | 112.7 | | |
| 764 | F | 30.2 | Very low | 30.9 | Very low | 167 Ų | 167 | 130 Ų | 130 | 73% | 0.732 | 75% | 0.745 | S | S | * | * | | | trans | 66.3 | 147.2 | 164.7 | -56.4 | -56 | 0 | 0 | 0 | 118.6 | | |
| 765 | I | 31.5 | Very low | 31 | Very low | 160 Ų | 160 | 129 Ų | 129 | 82% | 0.821 | 74% | 0.743 | S | S | * | * | | | cis | -157.5 | 169.6 | -2.2 | -126.8 | 165 | 0 | 0 | 0 | 108 | | |
| 766 | G | 34.8 | Very low | 31.1 | Very low | 61 Ų | 61 | 128.3 Ų | 128.3 | 63% | 0.629 | 74% | 0.736 | S | S | * | * | | | cis | 171.2 | 168.7 | -1.3 | 0 | 0 | 0 | 0 | 0 | 114 | | |
| 767 | D | 32.6 | Very low | 31.1 | Very low | 145 Ų | 145 | 131.2 Ų | 131.2 | 78% | 0.775 | 74% | 0.739 | S | S | * | * | | | trans | 57.3 | 126.7 | 153.3 | -62.3 | 5.8 | 0 | 0 | 0 | 127 | | |
| 768 | N | 33.7 | Very low | 31.2 | Very low | 136 Ų | 136 | 133.4 Ų | 133.4 | 73% | 0.727 | 74% | 0.742 | S | S | * | * | | | trans | 97.6 | 98.5 | 144.1 | -68.5 | -39 | 0 | 0 | 0 | 124.2 | | |
| 769 | N | 33.1 | Very low | 30.9 | Very low | 141 Ų | 141 | 132 Ų | 132 | 75% | 0.754 | 75% | 0.745 | S | S | * | * | | | trans | 70.1 | 96.1 | 132 | -68.2 | -22.5 | 0 | 0 | 0 | 123.9 | | |
| 770 | S | 33.9 | Very low | 31 | Very low | 102 Ų | 102 | 130 Ų | 130 | 71% | 0.713 | 74% | 0.741 | S | S | * | * | | | | 85.6 | 123.2 | 115.7 | -59.2 | 0 | 0 | 0 | 0 | 123.2 | | |
| 771 | N | 32.1 | Very low | 31.1 | Very low | 139 Ų | 139 | 132.6 Ų | 132.6 | 74% | 0.743 | 75% | 0.748 | S | S | * | * | | | trans | 85.3 | 97.1 | 149.4 | -66.6 | -9.9 | 0 | 0 | 0 | 121.7 | | |
| 772 | N | 32.3 | Very low | 30.9 | Very low | 131 Ų | 131 | 137.1 Ų | 137.1 | 70% | 0.701 | 75% | 0.746 | S | S | * | * | | | | 87.5 | 108.1 | 127.8 | -58.2 | -19.4 | 0 | 0 | 0 | 121.3 | | |
| 773 | N | 29.3 | Very low | 31 | Very low | 155 Ų | 155 | 140.3 Ų | 140.3 | 83% | 0.829 | 75% | 0.754 | S | S | * | * | | | trans | 65.8 | 100.8 | 137.8 | -56.1 | -11.7 | 0 | 0 | 0 | 120.2 | | |
| 774 | A | 31.1 | Very low | 30.8 | Very low | 85 Ų | 85 | 139 Ų | 139 | 70% | 0.702 | 76% | 0.756 | S | S | * | * | | | | 175.8 | 151.3 | 101.3 | 0 | 0 | 0 | 0 | 0 | 112.4 | | |
| 775 | Q | 31.6 | Very low | 30.9 | Very low | 158 Ų | 158 | 137.4 Ų | 137.4 | 74% | 0.738 | 76% | 0.762 | S | S | * | * | | | trans | 59.6 | 158.6 | 162.5 | -109.1 | 87.3 | -5.1 | 0 | 0 | 118.4 | | |
| 776 | E | 29.7 | Very low | 30.7 | Very low | 132 Ų | 132 | 134.9 Ų | 134.9 | 62% | 0.617 | 76% | 0.758 | S | S | * | * | | | cis | -155.7 | 156.5 | -18.6 | -147.4 | 153.6 | -127.2 | 0 | 0 | 110.3 | | |
| 777 | H | 28.6 | Very low | 30.6 | Very low | 152 Ų | 152 | 137.9 Ų | 137.9 | 70% | 0.704 | 77% | 0.767 | S | S | * | * | | | trans | 61.3 | 154.4 | 176.4 | -55.8 | -71.6 | 0 | 0 | 0 | 116.3 | | |
| 778 | F | 29.9 | Very low | 30.4 | Very low | 203 Ų | 203 | 138 Ų | 138 | 89% | 0.89 | 77% | 0.766 | S | S | * | * | | | cis | -127.8 | 165.2 | 17.6 | -85.7 | -103.3 | 0 | 0 | 0 | 113.9 | | |
| 779 | S | 24.6 | Very low | 30.1 | Very low | 107 Ų | 107 | 139 Ų | 139 | 75% | 0.748 | 77% | 0.769 | S | S | * | * | | | trans | -85.4 | 166 | 173.8 | -40.4 | 0 | 0 | 0 | 0 | 112.4 | | |
| 780 | P | 32.5 | Very low | 29.9 | Very low | 118 Ų | 118 | 141 Ų | 141 | 77% | 0.766 | 77% | 0.772 | S | S | * | * | | | | -148.5 | -177.1 | 78.1 | 40.4 | -22.4 | 0 | 0 | 0 | 116.2 | | |
| 781 | S | 30.9 | Very low | 29.5 | Very low | 120 Ų | 120 | 140.6 Ų | 140.6 | 84% | 0.839 | 77% | 0.769 | S | S | * | * | | | trans | 102.5 | 86.5 | 164.8 | -46.3 | 0 | 0 | 0 | 0 | 117.5 | | |
| 782 | R | 25.8 | Very low | 29.5 | Very low | 220 Ų | 220 | 139.7 Ų | 139.7 | 83% | 0.83 | 77% | 0.77 | S | S | * | * | | | trans | -152.5 | 102.7 | 161.3 | -162.4 | -179.9 | -158 | -95.3 | 3.8 | 111.7 | | |
| 783 | L | 29.6 | Very low | 29.3 | Very low | 176 Ų | 176 | 139 Ų | 139 | 92% | 0.921 | 77% | 0.771 | S | S | * | * | | | trans | -139.1 | 90.4 | 168.8 | -78.7 | -179.6 | 0 | 0 | 0 | 110.8 | | |
| 784 | T | 29.3 | Very low | 29.4 | Very low | 112 Ų | 112 | 137 Ų | 137 | 69% | 0.687 | 77% | 0.769 | S | S | * | * | | | trans | -140.2 | 118.7 | 160.2 | 43.2 | 0 | 0 | 0 | 0 | 108 | | |
| 785 | P | 32.2 | Very low | 29.2 | Very low | 132 Ų | 132 | 139.7 Ų | 139.7 | 86% | 0.857 | 77% | 0.771 | S | S | * | * | | | trans | -84.2 | 128.2 | 178 | 31.8 | -31.6 | 0 | 0 | 0 | 110.8 | | |
| 786 | S | 27.3 | Very low | 29.1 | Very low | 107 Ų | 107 | 142.9 Ų | 142.9 | 75% | 0.748 | 78% | 0.777 | S | S | * | * | | | trans | -112.8 | 141.6 | 162 | -65.1 | 0 | 0 | 0 | 0 | 108.4 | | |
| 787 | P | 32.7 | Very low | 29 | Very low | 124 Ų | 124 | 140.1 Ų | 140.1 | 81% | 0.805 | 77% | 0.772 | S | S | * | * | P | Polyproline II helix | trans | -69.5 | 152.6 | -173 | 28 | -35 | 0 | 0 | 0 | 113 | I789 | P787-I789 PolarHBondContact O-N 3.41Š|
| 788 | I | 27.7 | Very low | 29 | Very low | 147 Ų | 147 | 138.5 Ų | 138.5 | 75% | 0.754 | 77% | 0.769 | S | S | * | * | P | Polyproline II helix | trans | -65.6 | 124.3 | -177.8 | -64 | 158.2 | 0 | 0 | 0 | 110.3 | F790 | I788-F790 HydrophobicContact CG2-CD2 4.23Å; I788-F790 HydrophobicContact CG2-CE2 4.37Å |
| 789 | I | 28.7 | Very low | 29 | Very low | 157 Ų | 157 | 135 Ų | 135 | 81% | 0.805 | 76% | 0.759 | S | S | * | * | P | Polyproline II helix | trans | -94.3 | 128.8 | 154.1 | -66.6 | 178.1 | 0 | 0 | 0 | 106.7 | P787 S791 | P787-I789 PolarHBondContact O-N 3.41Å; I789-S791 PolarHBondContact O-N 3.16Å |
| 790 | F | 27.9 | Very low | 29.2 | Very low | 184 Ų | 184 | 136.6 Ų | 136.6 | 81% | 0.807 | 76% | 0.759 | S | S | * | * | P | Polyproline II helix | trans | -72.7 | 125.9 | 177.1 | -85.8 | -95.7 | 0 | 0 | 0 | 111.3 | I788 | I788-F790 HydrophobicContact CG2-CD2 4.23Å; I788-F790 HydrophobicContact CG2-CE2 4.37Å |
| 791 | S | 25.7 | Very low | 28.9 | Very low | 93 Ų | 93 | 135.9 Ų | 135.9 | 65% | 0.65 | 76% | 0.757 | S | S | * | * | P | Polyproline II helix | trans | -92.8 | 135.4 | 153.3 | -53.9 | 0 | 0 | 0 | 0 | 108.8 | I789 | I789-S791 PolarHBondContact O-N 3.16Š|
| 792 | P | 32.2 | Very low | 28.9 | Very low | 120 Ų | 120 | 136.7 Ų | 136.7 | 78% | 0.779 | 76% | 0.757 | S | S | * | * | P | Polyproline II helix | | -74.8 | 117.8 | 128.2 | 31.2 | -24.6 | 0 | 0 | 0 | 106.4 | | |
| 793 | V | 28.3 | Very low | 28.8 | Very low | 116 Ų | 116 | 130.9 Ų | 130.9 | 70% | 0.703 | 76% | 0.756 | S | S | * | * | | | | 51.5 | 80.1 | 56.9 | -169.2 | 0 | 0 | 0 | 0 | 109.7 | | |
| 794 | S | 30.3 | Very low | 28.8 | Very low | 113 Ų | 113 | 129.7 Ų | 129.7 | 79% | 0.79 | 75% | 0.749 | S | S | * | * | | | trans | -61 | 152.7 | 148.1 | -42.5 | 0 | 0 | 0 | 0 | 108.9 | | |
| 795 | D | 28.1 | Very low | 28.9 | Very low | 142 Ų | 142 | 129.3 Ų | 129.3 | 76% | 0.759 | 75% | 0.749 | S | S | * | * | | | trans | -157.1 | 169.4 | 145.3 | -117.9 | -32.1 | 0 | 0 | 0 | 112.1 | | |
| 796 | R | 29.6 | Very low | 28.7 | Very low | 225 Ų | 225 | 129.1 Ų | 129.1 | 85% | 0.849 | 75% | 0.747 | S | S | * | * | | | trans | 72 | 107.3 | -175.3 | -70.6 | -175.6 | 171.7 | 156.3 | 1.9 | 115.1 | | |
| 797 | S | 26.7 | Very low | 28.9 | Very low | 75 Ų | 75 | 129.5 Ų | 129.5 | 52% | 0.524 | 75% | 0.75 | S | S | . | * | | | cis | 62 | 140.4 | 13.3 | 103.3 | 0 | 0 | 0 | 0 | 112.8 | | |
| 798 | D | 30.1 | Very low | 28.7 | Very low | 118 Ų | 118 | 132 Ų | 132 | 63% | 0.631 | 76% | 0.756 | S | S | * | * | | | cis | -142.6 | 129.6 | 11.5 | -79.3 | -67.4 | 0 | 0 | 0 | 107.9 | | |
| 799 | N | 29.1 | Very low | 28.7 | Very low | 128 Ų | 128 | 132.8 Ų | 132.8 | 68% | 0.684 | 76% | 0.761 | S | S | * | * | | | | 95.5 | 155 | 90.7 | -68.4 | -19.7 | 0 | 0 | 0 | 115.1 | | |
| 800 | N | 29.4 | Very low | 28.7 | Very low | 141 Ų | 141 | 132.8 Ų | 132.8 | 75% | 0.754 | 76% | 0.757 | S | S | * | * | | | trans | 72.4 | 94 | 157.1 | -61.9 | -15.6 | 0 | 0 | 0 | 119.7 | | |
| 801 | S | 26.5 | Very low | 28.8 | Very low | 103 Ų | 103 | 129.2 Ų | 129.2 | 72% | 0.72 | 75% | 0.747 | S | S | * | * | | | | 76.4 | 104.2 | 120.4 | -55.4 | 0 | 0 | 0 | 0 | 119.3 | | |
| 802 | T | 29 | Very low | 29 | Very low | 137 Ų | 137 | 132.8 Ų | 132.8 | 84% | 0.84 | 75% | 0.753 | S | S | * | * | | | | -162.6 | 158.8 | 93 | 16 | 0 | 0 | 0 | 0 | 111.8 | | |
| 803 | A | 24.1 | Very low | 28.9 | Very low | 98 Ų | 98 | 134.7 Ų | 134.7 | 81% | 0.81 | 75% | 0.751 | S | S | * | * | | | trans | -98.3 | 133.5 | 171.4 | 0 | 0 | 0 | 0 | 0 | 110.1 | | |
| 804 | I | 29.7 | Very low | 29 | Very low | 152 Ų | 152 | 135.5 Ų | 135.5 | 78% | 0.779 | 75% | 0.752 | S | S | * | * | | | trans | -147.8 | 129.5 | 172.1 | -43.8 | 177.2 | 0 | 0 | 0 | 107.9 | | |
| 805 | P | 31.8 | Very low | 29.1 | Very low | 104 Ų | 104 | 136.8 Ų | 136.8 | 68% | 0.675 | 75% | 0.748 | S | S | * | * | | | cis | -129.8 | 159.8 | -32.5 | 38.1 | -23.7 | 0 | 0 | 0 | 112.6 | | |
| 806 | P | 28.8 | Very low | 29.2 | Very low | 127 Ų | 127 | 137.5 Ų | 137.5 | 83% | 0.825 | 75% | 0.75 | S | S | * | * | | | trans | -80.1 | 122.1 | 156.4 | 31.9 | -28.9 | 0 | 0 | 0 | 109.6 | | |
| 807 | S | 30.1 | Very low | 29.2 | Very low | 116 Ų | 116 | 130.9 Ų | 130.9 | 81% | 0.811 | 74% | 0.744 | S | S | * | * | | | trans | -76.8 | 135.9 | 175.4 | 55.5 | 0 | 0 | 0 | 0 | 111.9 | | |
| 808 | L | 29.9 | Very low | 29.1 | Very low | 176 Ų | 176 | 132.8 Ų | 132.8 | 92% | 0.921 | 76% | 0.757 | S | S | * | * | | | trans | -10.5 | 128.1 | 171.2 | -77.1 | 156.8 | 0 | 0 | 0 | 118 | | |
| 809 | L | 27.1 | Very low | 29.6 | Very low | 164 Ų | 164 | 132.2 Ų | 132.2 | 86% | 0.859 | 76% | 0.76 | S | S | * | * | | | trans | -79.7 | 116.9 | 165.2 | -176.6 | 80.1 | 0 | 0 | 0 | 109.6 | | |
| 810 | E | 29.1 | Very low | 29.4 | Very low | 156 Ų | 156 | 133.2 Ų | 133.2 | 73% | 0.729 | 76% | 0.764 | S | S | * | * | | | | 178.5 | 143.7 | 125.4 | -101 | -166.8 | 171 | 0 | 0 | 114.6 | | |
| 811 | N | 29.2 | Very low | 29.4 | Very low | 110 Ų | 110 | 133.8 Ų | 133.8 | 59% | 0.588 | 77% | 0.765 | S | S | * | * | | | trans | 58.8 | 108.8 | 143.6 | -63 | -33.6 | 0 | 0 | 0 | 122.6 | | |
| 812 | H | 29.6 | Very low | 30 | Very low | 168 Ų | 168 | 134 Ų | 134 | 78% | 0.778 | 76% | 0.764 | S | S | * | * | | | trans | 89.3 | 133.2 | 135.2 | -69.2 | -46.7 | 0 | 0 | 0 | 122.8 | | |
| 813 | Q | 31.3 | Very low | 30.5 | Very low | 160 Ų | 160 | 132.6 Ų | 132.6 | 75% | 0.748 | 76% | 0.757 | S | S | * | * | | | trans | 75.2 | 97.6 | 149.8 | -70.7 | 178 | 12.8 | 0 | 0 | 120.4 | | |
| 814 | N | 29.7 | Very low | 30.6 | Very low | 133 Ų | 133 | 132.7 Ų | 132.7 | 71% | 0.711 | 75% | 0.752 | S | S | * | * | | | | 107.2 | 134.1 | 110.3 | -75.3 | -9.8 | 0 | 0 | 0 | 121.3 | | |
| 815 | I | 31.5 | Very low | 30.4 | Very low | 139 Ų | 139 | 131.3 Ų | 131.3 | 71% | 0.713 | 75% | 0.751 | S | S | * | * | | | trans | 93.3 | 101.4 | 139.9 | -76.1 | 164.8 | 0 | 0 | 0 | 119.8 | | |
| 816 | I | 31.7 | Very low | 30.2 | Very low | 157 Ų | 157 | 132.2 Ų | 132.2 | 81% | 0.805 | 76% | 0.755 | S | S | * | * | | | | 63.5 | 136.5 | 128.2 | -61.6 | 178.2 | 0 | 0 | 0 | 119.1 | | |
| 817 | A | 29.7 | Very low | 30.3 | Very low | 87 Ų | 87 | 132 Ų | 132 | 72% | 0.719 | 75% | 0.752 | S | S | * | * | | | cis | -167.1 | 176.1 | -19.1 | 0 | 0 | 0 | 0 | 0 | 109.9 | | |
| 818 | S | 24 | Very low | 30.3 | Very low | 114 Ų | 114 | 131.5 Ų | 131.5 | 80% | 0.797 | 75% | 0.748 | S | S | * | * | | | trans | -99.5 | -152.1 | 178.8 | -52.7 | 0 | 0 | 0 | 0 | 111.5 | | |
| 819 | P | 39.8 | Very low | 30.4 | Very low | 107 Ų | 107 | 127.3 Ų | 127.3 | 70% | 0.695 | 73% | 0.733 | S | S | * | * | | | | -136 | -158.8 | -100.9 | 41.8 | -21.9 | 0 | 0 | 0 | 114.8 | | |
| 820 | I | 26.3 | Very low | 30.7 | Very low | 148 Ų | 148 | 126.5 Ų | 126.5 | 76% | 0.759 | 73% | 0.73 | S | S | * | * | | | trans | 92.7 | 128.5 | 141.5 | -93.3 | 174.3 | 0 | 0 | 0 | 121.2 | | |
| 821 | I | 28.9 | Very low | 30.9 | Very low | 153 Ų | 153 | 125.7 Ų | 125.7 | 79% | 0.785 | 73% | 0.73 | S | S | * | * | | | trans | 84.7 | 147.5 | 151.5 | -82.4 | 171.4 | 0 | 0 | 0 | 121.7 | | |
| 822 | P | 37.7 | Very low | 31.2 | Very low | 107 Ų | 107 | 124 Ų | 124 | 70% | 0.695 | 73% | 0.728 | S | S | * | * | | | trans | -119.2 | -151.4 | -167 | 43 | -22.9 | 0 | 0 | 0 | 111 | | |
| 823 | P | 40.9 | Very low | 31.3 | Very low | 108 Ų | 108 | 122.8 Ų | 122.8 | 70% | 0.701 | 73% | 0.726 | S | S | * | * | | | cis | -140.4 | -174.8 | -3.6 | 41.8 | -21.4 | 0 | 0 | 0 | 118 | | |
| 824 | S | 26.1 | Very low | 31.6 | Very low | 100 Ų | 100 | 122 Ų | 122 | 70% | 0.699 | 73% | 0.732 | S | S | * | * | | | trans | 96.5 | 133.6 | 147.4 | -62.6 | 0 | 0 | 0 | 0 | 122.1 | | |
| 825 | T | 26.2 | Very low | 31.8 | Very low | 123 Ų | 123 | 122.6 Ų | 122.6 | 76% | 0.755 | 74% | 0.736 | S | S | * | * | | | trans | 72.7 | 115.5 | 147.4 | 42 | 0 | 0 | 0 | 0 | 123.2 | | |
| 826 | T | 26.8 | Very low | 32.3 | Very low | 123 Ų | 123 | 120.4 Ų | 120.4 | 76% | 0.755 | 73% | 0.73 | S | S | * | * | | | trans | 84.4 | 150.5 | 134.5 | 50.1 | 0 | 0 | 0 | 0 | 123.4 | | |
| 827 | T | 30.2 | Very low | 32.3 | Very low | 124 Ų | 124 | 120 Ų | 120 | 76% | 0.761 | 73% | 0.728 | S | S | * | * | | | trans | 72.8 | 112.2 | 162.2 | 43.1 | 0 | 0 | 0 | 0 | 121.7 | | |
| 828 | S | 29.7 | Very low | 32.5 | Very low | 104 Ų | 104 | 123 Ų | 123 | 73% | 0.727 | 73% | 0.727 | S | S | * | * | | | | 26.1 | 149.1 | 123.5 | 54.5 | 0 | 0 | 0 | 0 | 121.7 | | |
| 829 | S | 32.4 | Very low | 32.8 | Very low | 89 Ų | 89 | 127.1 Ų | 127.1 | 62% | 0.622 | 73% | 0.725 | S | S | * | * | | | cis | 176.6 | 160.2 | -4.1 | 49.9 | 0 | 0 | 0 | 0 | 111 | | |
| 830 | N | 34.8 | Very low | 32.3 | Very low | 147 Ų | 147 | 126.3 Ų | 126.3 | 79% | 0.786 | 72% | 0.722 | S | S | * | * | | | trans | 67.9 | 159.9 | 164.4 | -52.7 | -8.9 | 0 | 0 | 0 | 114.5 | | |
| 831 | N | 32.6 | Very low | 32.5 | Very low | 138 Ų | 138 | 126.8 Ų | 126.8 | 74% | 0.738 | 73% | 0.726 | S | S | * | * | | | cis | -165.3 | 178.2 | -8.4 | -117.4 | 46.2 | 0 | 0 | 0 | 106.1 | | |
| 832 | S | 35.1 | Very low | 32.6 | Very low | 76 Ų | 76 | 123 Ų | 123 | 53% | 0.531 | 73% | 0.725 | S | S | . | * | | | cis | -174.5 | -178.4 | -23.8 | 54.1 | 0 | 0 | 0 | 0 | 106.9 | | |
| 833 | D | 32 | Very low | 32.1 | Very low | 141 Ų | 141 | 126 Ų | 126 | 75% | 0.754 | 73% | 0.73 | S | S | * | * | | | cis | -119.6 | -114.6 | 3.3 | -68.1 | -89.9 | 0 | 0 | 0 | 111.6 | | |
| 834 | V | 36.8 | Very low | 31.6 | Very low | 144 Ų | 144 | 127.6 Ų | 127.6 | 87% | 0.873 | 73% | 0.728 | S | S | * | * | | | cis | -143.6 | 166.5 | 6.3 | 177.8 | 0 | 0 | 0 | 0 | 108.3 | | |
| 835 | D | 33.6 | Very low | 31.8 | Very low | 146 Ų | 146 | 130.2 Ų | 130.2 | 78% | 0.781 | 73% | 0.729 | S | S | * | * | | | trans | -117.3 | -155.1 | -147.5 | -152.2 | 20 | 0 | 0 | 0 | 116.2 | | |
| 836 | P | 43 | Very low | 31.8 | Very low | 92 Ų | 92 | 131.6 Ų | 131.6 | 60% | 0.597 | 73% | 0.732 | S | S | * | * | | | | -127.9 | -164.6 | -121.5 | 43 | -23.3 | 0 | 0 | 0 | 115.9 | | |
| 837 | I | 31.9 | Very low | 31.9 | Very low | 148 Ų | 148 | 131 Ų | 131 | 76% | 0.759 | 73% | 0.733 | S | S | * | * | | | trans | 160.7 | 140 | 138.6 | -85.1 | 157.4 | 0 | 0 | 0 | 115.7 | | |
| 838 | H | 34.7 | Very low | 31.8 | Very low | 150 Ų | 150 | 136.8 Ų | 136.8 | 69% | 0.694 | 74% | 0.741 | S | S | * | * | | | trans | 62.6 | 167.2 | 161.5 | -91.6 | -152.3 | 0 | 0 | 0 | 120.3 | | |
| 839 | R | 30 | Very low | 31.7 | Very low | 202 Ų | 202 | 136.9 Ų | 136.9 | 76% | 0.762 | 74% | 0.741 | S | S | * | * | | | cis | -170.7 | 156.1 | -43.5 | -118.1 | -166.1 | -168.5 | 170.4 | 4.9 | 109.8 | | |
| 840 | S | 29.8 | Very low | 31.6 | Very low | 89 Ų | 89 | 138.7 Ų | 138.7 | 62% | 0.622 | 75% | 0.749 | S | S | * | * | | | trans | 64.3 | 122.5 | 149.7 | -83.9 | 0 | 0 | 0 | 0 | 123.5 | | |
| 841 | D | 30.4 | Very low | 31.2 | Very low | 158 Ų | 158 | 136.6 Ų | 136.6 | 85% | 0.845 | 75% | 0.745 | S | S | * | * | | | | 63.9 | 146.8 | 128.4 | -52.3 | -52.3 | 0 | 0 | 0 | 123.7 | | |
| 842 | G | 29.4 | Very low | 31.3 | Very low | 75 Ų | 75 | 135.5 Ų | 135.5 | 77% | 0.773 | 75% | 0.746 | S | S | * | * | | | trans | 122.1 | 50.4 | 133.4 | 0 | 0 | 0 | 0 | 0 | 123.9 | | |
| 843 | Q | 27.7 | Very low | 31 | Very low | 170 Ų | 170 | 140.1 Ų | 140.1 | 79% | 0.794 | 76% | 0.763 | S | S | * | * | | | trans | 53.2 | 141 | 149.4 | -78.9 | -155.5 | 15.5 | 0 | 0 | 124.7 | | |
| 844 | Q | 29.9 | Very low | 30.6 | Very low | 141 Ų | 141 | 138.8 Ų | 138.8 | 66% | 0.659 | 76% | 0.763 | S | S | * | * | | | trans | 85.5 | 119.4 | 143.1 | -78.8 | -168.7 | 67.9 | 0 | 0 | 124.3 | | |
| 845 | Q | 31.1 | Very low | 30 | Very low | 154 Ų | 154 | 137.2 Ų | 137.2 | 72% | 0.72 | 76% | 0.759 | S | S | * | * | | | trans | 68.1 | 97.8 | 139.5 | -57.4 | -160.6 | 58.2 | 0 | 0 | 123 | | |
| 846 | N | 26.8 | Very low | 29.6 | Very low | 152 Ų | 152 | 135.1 Ų | 135.1 | 81% | 0.813 | 76% | 0.755 | S | S | * | * | | | | 46.5 | 116 | 129.1 | -65.8 | -21 | 0 | 0 | 0 | 122 | | |
| 847 | S | 28.9 | Very low | 28.9 | Very low | 111 Ų | 111 | 139 Ų | 139 | 78% | 0.776 | 77% | 0.77 | S | S | * | * | | | | -176.7 | 130 | 100.4 | 56.2 | 0 | 0 | 0 | 0 | 115.3 | | |
| 848 | R | 28 | Very low | 28.8 | Very low | 245 Ų | 245 | 139.7 Ų | 139.7 | 93% | 0.925 | 78% | 0.775 | S | S | * | * | | | trans | 47 | 134.9 | 151 | -58.5 | -179.7 | 176.6 | -179.8 | -1.4 | 118.9 | | |
| 849 | S | 27.3 | Very low | 28.5 | Very low | 106 Ų | 106 | 140.6 Ų | 140.6 | 74% | 0.741 | 78% | 0.784 | S | S | * | * | | | | -174.8 | 160.3 | 51.6 | 51.9 | 0 | 0 | 0 | 0 | 114.8 | | |
| 850 | V | 29.9 | Very low | 28.6 | Very low | 128 Ų | 128 | 136.1 Ų | 136.1 | 78% | 0.776 | 78% | 0.78 | S | S | * | * | | | trans | 59.1 | 95.8 | 156.1 | 176 | 0 | 0 | 0 | 0 | 116.8 | | |
| 851 | S | 25.7 | Very low | 28.5 | Very low | 103 Ų | 103 | 137.2 Ų | 137.2 | 72% | 0.72 | 79% | 0.785 | S | S | * | * | | | | 79.5 | 158.7 | 67.2 | 83.5 | 0 | 0 | 0 | 0 | 115.8 | | |
| 852 | P | 35.9 | Very low | 28.5 | Very low | 115 Ų | 115 | 135.8 Ų | 135.8 | 75% | 0.747 | 79% | 0.785 | S | S | * | * | | | cis | -131.9 | 175.3 | -21.5 | 40.5 | -25.6 | 0 | 0 | 0 | 114 | | |
| 853 | I | 29.1 | Very low | 28.6 | Very low | 173 Ų | 173 | 138.3 Ų | 138.3 | 89% | 0.887 | 79% | 0.785 | S | S | * | * | | | trans | -164.9 | 150.8 | 153 | -106.5 | 153.1 | 0 | 0 | 0 | 110.7 | | |
| 854 | C | 22.7 | Very low | 28.7 | Very low | 113 Ų | 113 | 135.7 Ų | 135.7 | 76% | 0.764 | 78% | 0.783 | S | S | * | * | | | trans | -93.5 | 149.2 | -179.1 | -56.3 | 0 | 0 | 0 | 0 | 113.1 | | |
| 855 | S | 24.8 | Very low | 28.5 | Very low | 111 Ų | 111 | 140.6 Ų | 140.6 | 78% | 0.776 | 80% | 0.795 | S | S | * | * | | | | 175.4 | 149.2 | 118.4 | -78 | 0 | 0 | 0 | 0 | 115 | | |
| 856 | S | 25.4 | Very low | 28.2 | Very low | 102 Ų | 102 | 141.3 Ų | 141.3 | 71% | 0.713 | 80% | 0.804 | S | S | * | * | | | trans | 43.3 | 109.2 | 148.2 | 61.6 | 0 | 0 | 0 | 0 | 121.4 | | |
| 857 | L | 28.5 | Very low | 28.1 | Very low | 172 Ų | 172 | 141.4 Ų | 141.4 | 90% | 0.901 | 80% | 0.804 | S | S | * | * | | | trans | -136.3 | 127.8 | 132.2 | -80.8 | -178 | 0 | 0 | 0 | 109.8 | | |
| 858 | L | 28.6 | Very low | 27.9 | Very low | 164 Ų | 164 | 141.9 Ų | 141.9 | 86% | 0.859 | 80% | 0.798 | S | S | * | * | P | Polyproline II helix | trans | -85.7 | 138.4 | 163.5 | -89.5 | 70.1 | 0 | 0 | 0 | 108.5 | | |
| 859 | L | 28.6 | Very low | 28 | Very low | 169 Ų | 169 | 137.9 Ų | 137.9 | 89% | 0.885 | 79% | 0.794 | S | S | * | * | P | Polyproline II helix | trans | -89.1 | 129 | 167.2 | -77.8 | 156.2 | 0 | 0 | 0 | 109.4 | | |
| 860 | P | 31 | Very low | 27.9 | Very low | 107 Ų | 107 | 137.3 Ų | 137.3 | 70% | 0.695 | 79% | 0.786 | S | S | * | * | P | Polyproline II helix | trans | -74 | 155.7 | 172.2 | 31.7 | -34.4 | 0 | 0 | 0 | 111.2 | | |
| 861 | P | 29 | Very low | 27.8 | Very low | 112 Ų | 112 | 137.6 Ų | 137.6 | 73% | 0.727 | 79% | 0.788 | S | S | * | * | P | Polyproline II helix | trans | -70.1 | 148.6 | 174.6 | 30.4 | -34.8 | 0 | 0 | 0 | 111.6 | | |
| 862 | P | 30.1 | Very low | 27.9 | Very low | 129 Ų | 129 | 138.5 Ų | 138.5 | 84% | 0.838 | 80% | 0.795 | S | S | * | * | P | Polyproline II helix | trans | -73.4 | 139.1 | -176.3 | 29.7 | -35.2 | 0 | 0 | 0 | 112.6 | | |
| 863 | V | 30.9 | Very low | 27.4 | Very low | 127 Ų | 127 | 141.9 Ų | 141.9 | 77% | 0.77 | 80% | 0.8 | S | S | * | * | P | Polyproline II helix | trans | -97.1 | 133 | 170 | -176.9 | 0 | 0 | 0 | 0 | 108.3 | | |
| 864 | P | 30.1 | Very low | 27.5 | Very low | 116 Ų | 116 | 140.1 Ų | 140.1 | 75% | 0.753 | 80% | 0.798 | S | S | * | * | P | Polyproline II helix | trans | -70.4 | 151.9 | 179.9 | 28.8 | -34.8 | 0 | 0 | 0 | 112.6 | | |
| 865 | W | 25.5 | Very low | 27.7 | Very low | 243 Ų | 243 | 140.9 Ų | 140.9 | 92% | 0.92 | 79% | 0.794 | S | S | * | * | P | Polyproline II helix | trans | -69.9 | 151.8 | -165.8 | -49 | -69.9 | 0 | 0 | 0 | 115.5 | | |
| 866 | N | 25.1 | Very low | 27.8 | Very low | 169 Ų | 169 | 143 Ų | 143 | 90% | 0.904 | 79% | 0.792 | S | S | * | * | | | trans | -170.8 | 96.7 | 141 | -98.7 | -17.8 | 0 | 0 | 0 | 111.2 | | |
| 867 | L | 25.5 | Very low | 28 | Very low | 155 Ų | 155 | 144.3 Ų | 144.3 | 81% | 0.812 | 80% | 0.795 | S | S | * | * | | | trans | -158.3 | 146.5 | 166.2 | -88.6 | 160.7 | 0 | 0 | 0 | 103.8 | | |
| 868 | D | 25 | Very low | 27.7 | Very low | 120 Ų | 120 | 142.6 Ų | 142.6 | 64% | 0.642 | 79% | 0.792 | S | S | * | * | | | cis | -145.3 | 160.9 | 19.2 | -112.8 | -59.2 | 0 | 0 | 0 | 111.8 | | |
| 869 | L | 28.4 | Very low | 27.6 | Very low | 162 Ų | 162 | 140.1 Ų | 140.1 | 85% | 0.848 | 79% | 0.786 | S | S | * | * | | | trans | -161 | 61.4 | 147.2 | -113.5 | 173.1 | 0 | 0 | 0 | 112 | | |
| 870 | T | 26.2 | Very low | 27.4 | Very low | 93 Ų | 93 | 136.7 Ų | 136.7 | 57% | 0.571 | 78% | 0.776 | S | S | * | * | | | trans | 35 | 129.1 | 142.2 | 57 | 0 | 0 | 0 | 0 | 122.3 | | |
| 871 | T | 26.6 | Very low | 27.1 | Very low | 134 Ų | 134 | 139 Ų | 139 | 82% | 0.822 | 78% | 0.782 | S | S | * | * | | | trans | 64 | 110.2 | 140.7 | 57.6 | 0 | 0 | 0 | 0 | 120.8 | | |
| 872 | S | 29.1 | Very low | 26.9 | Very low | 122 Ų | 122 | 142.3 Ų | 142.3 | 85% | 0.853 | 79% | 0.785 | S | S | * | * | | | | -157.9 | 166.9 | 94.8 | 63.5 | 0 | 0 | 0 | 0 | 111.2 | | |
| 873 | E | 25.3 | Very low | 26.8 | Very low | 186 Ų | 186 | 142.3 Ų | 142.3 | 87% | 0.869 | 78% | 0.777 | S | S | * | * | | | trans | -83.8 | 154.8 | -172.2 | -59.7 | 159.1 | 127.8 | 0 | 0 | 113.3 | | |
| 874 | V | 31.1 | Very low | 26.6 | Very low | 137 Ų | 137 | 143.3 Ų | 143.3 | 83% | 0.83 | 78% | 0.778 | S | S | * | * | | | | -177.4 | 126.4 | 121.7 | 150 | 0 | 0 | 0 | 0 | 110.1 | | |
| 875 | N | 27.6 | Very low | 26.5 | Very low | 128 Ų | 128 | 144.9 Ų | 144.9 | 68% | 0.684 | 78% | 0.78 | S | S | * | * | | | trans | 13.2 | 144 | 161.6 | -68.1 | 22.2 | 0 | 0 | 0 | 124.7 | | |
| 876 | E | 27 | Very low | 26.6 | Very low | 157 Ų | 157 | 138.2 Ų | 138.2 | 73% | 0.734 | 77% | 0.77 | S | S | * | * | | | trans | 88.9 | 119.5 | 135.6 | -80.8 | 159.4 | -124.7 | 0 | 0 | 122.6 | | |
| 877 | T | 28.8 | Very low | 26.6 | Very low | 128 Ų | 128 | 135.5 Ų | 135.5 | 79% | 0.785 | 76% | 0.756 | S | S | * | * | | | trans | 71.1 | 98 | 150.7 | 58.2 | 0 | 0 | 0 | 0 | 120.3 | | |
| 878 | T | 22.7 | Very low | 26.7 | Very low | 136 Ų | 136 | 134.5 Ų | 134.5 | 83% | 0.834 | 75% | 0.751 | S | S | * | * | | | trans | -45.1 | 147.2 | 133.6 | 8 | 0 | 0 | 0 | 0 | 111.2 | | |
| 879 | P | 27.1 | Very low | 26.7 | Very low | 112 Ų | 112 | 135.5 Ų | 135.5 | 73% | 0.727 | 76% | 0.755 | S | S | * | * | | | | -147.3 | 175.4 | 81.5 | 40.2 | -23.2 | 0 | 0 | 0 | 116.8 | | |
| 880 | S | 23 | Very low | 26.6 | Very low | 97 Ų | 97 | 135.2 Ų | 135.2 | 68% | 0.678 | 75% | 0.753 | S | S | * | * | | | trans | -62.9 | 137 | 170.1 | 44.8 | 0 | 0 | 0 | 0 | 113.2 | F882 | S880-F882 PolarHBondContact O-N 3.39Š|
| 881 | L | 25.9 | Very low | 26.5 | Very low | 156 Ų | 156 | 138.6 Ų | 138.6 | 82% | 0.817 | 77% | 0.767 | S | S | * | * | | | trans | -91.8 | 94.6 | 167.4 | -76.3 | 175.5 | 0 | 0 | 0 | 111.4 | I883 | L881-I883 HydrophobicContact CB-CG1 4.44Š|
| 882 | F | 23 | Very low | 26.5 | Very low | 181 Ų | 181 | 141.1 Ų | 141.1 | 79% | 0.794 | 77% | 0.766 | S | S | * | * | | | trans | -67.6 | 120.3 | 146.6 | -83.8 | -96.4 | 0 | 0 | 0 | 108.2 | S880 | S880-F882 PolarHBondContact O-N 3.39Š|
| 883 | I | 29.6 | Very low | 26.4 | Very low | 130 Ų | 130 | 143 Ų | 143 | 67% | 0.667 | 77% | 0.766 | S | S | * | * | | | trans | -102.7 | 90.7 | 166.9 | -59.6 | -178.1 | 0 | 0 | 0 | 108.3 | L881 N885 | L881-I883 HydrophobicContact CB-CG1 4.44Å; I883-N885 HydrophobicContact CG2-CB 4.48Å |
| 884 | N | 25.2 | Very low | 26.5 | Very low | 148 Ų | 148 | 141.5 Ų | 141.5 | 79% | 0.791 | 76% | 0.764 | S | S | * | * | | | trans | -66.7 | 138.1 | 151.6 | -78.3 | -32.8 | 0 | 0 | 0 | 108 | | |
| 885 | N | 28 | Very low | 26.3 | Very low | 149 Ų | 149 | 144.1 Ų | 144.1 | 80% | 0.797 | 76% | 0.761 | S | S | * | * | | | trans | -152.3 | 113.9 | 160.1 | -113.9 | -31.8 | 0 | 0 | 0 | 110.7 | I883 | I883-N885 HydrophobicContact CG2-CB 4.48Š|
| 886 | S | 27.9 | Very low | 26.2 | Very low | 102 Ų | 102 | 146.4 Ų | 146.4 | 71% | 0.713 | 76% | 0.761 | S | S | * | * | | | trans | -125 | 108.8 | 172.7 | -72.9 | 0 | 0 | 0 | 0 | 107.7 | | |
| 887 | N | 26.1 | Very low | 26.2 | Very low | 113 Ų | 113 | 148.1 Ų | 148.1 | 60% | 0.604 | 77% | 0.769 | S | S | * | * | | | trans | 15.5 | 125.5 | 161.1 | -35.7 | -67.4 | 0 | 0 | 0 | 117.8 | | |
| 888 | D | 26.6 | Very low | 25.9 | Very low | 134 Ų | 134 | 148.2 Ų | 148.2 | 72% | 0.717 | 77% | 0.765 | S | S | * | * | | | | -155.9 | 142 | 96.5 | -106.6 | -21.1 | 0 | 0 | 0 | 117 | | |
| 889 | I | 24.7 | Very low | 26.1 | Very low | 140 Ų | 140 | 150.4 Ų | 150.4 | 72% | 0.718 | 76% | 0.763 | S | S | * | * | | | trans | -1 | 118.5 | 156 | -55.8 | 156.3 | 0 | 0 | 0 | 118.1 | | |
| 890 | I | 26.3 | Very low | 26 | Very low | 156 Ų | 156 | 150.7 Ų | 150.7 | 80% | 0.8 | 76% | 0.762 | S | S | * | * | | | | -134.6 | 121.4 | 112.9 | -60 | -176.5 | 0 | 0 | 0 | 108.9 | | |
| 891 | L | 25 | Very low | 26.1 | Very low | 165 Ų | 165 | 152.3 Ų | 152.3 | 86% | 0.864 | 76% | 0.763 | S | S | * | * | | | trans | -111.9 | 121.6 | 159.3 | -91.9 | 169.9 | 0 | 0 | 0 | 108.6 | | |
| 892 | K | 26.9 | Very low | 26 | Very low | 187 Ų | 187 | 152.7 Ų | 152.7 | 81% | 0.813 | 77% | 0.765 | S | S | * | * | | | trans | -128 | 129 | 160.6 | -103.4 | -171.2 | 173.2 | -174.6 | 0 | 107.6 | | |
| 893 | N | 26.2 | Very low | 26.2 | Very low | 160 Ų | 160 | 147 Ų | 147 | 86% | 0.856 | 76% | 0.757 | S | S | * | * | | | trans | -150.2 | 103.6 | 167.5 | -131.8 | 4 | 0 | 0 | 0 | 107 | | |
| 894 | D | 28 | Very low | 25.9 | Very low | 155 Ų | 155 | 152.3 Ų | 152.3 | 83% | 0.829 | 77% | 0.77 | S | S | * | * | | | trans | -129.9 | 158.9 | 174.4 | -97.7 | -49.3 | 0 | 0 | 0 | 109.6 | | |
| 895 | Y | 26.5 | Very low | 25.9 | Very low | 193 Ų | 193 | 153 Ų | 153 | 76% | 0.757 | 77% | 0.766 | S | S | * | * | | | trans | -69.3 | 141.3 | -154.6 | -96.9 | -144.3 | 0 | 0 | 0 | 117.4 | | |
| 896 | Y | 25.2 | Very low | 25.7 | Very low | 175 Ų | 175 | 153.6 Ų | 153.6 | 69% | 0.686 | 76% | 0.762 | S | S | * | * | | | trans | 64.2 | 117.8 | 138.1 | -78.2 | -131 | 0 | 0 | 0 | 120.2 | | |
| 897 | Q | 26.6 | Very low | 25.6 | Very low | 193 Ų | 193 | 157 Ų | 157 | 90% | 0.902 | 77% | 0.766 | S | S | * | * | | | | -145.1 | 159.1 | 103 | -125 | -170 | 22.1 | 0 | 0 | 113 | | |
| 898 | N | 23.8 | Very low | 25.4 | Very low | 130 Ų | 130 | 158.5 Ų | 158.5 | 70% | 0.695 | 77% | 0.774 | S | S | * | * | | | trans | -74.6 | 143.5 | -165.7 | -57 | -43.6 | 0 | 0 | 0 | 113.7 | | |
| 899 | K | 26.7 | Very low | 25.3 | Very low | 183 Ų | 183 | 155.5 Ų | 155.5 | 80% | 0.796 | 77% | 0.774 | S | S | * | * | | | | -147.5 | 108.4 | 119.9 | -125.5 | -174.1 | 179.4 | -161.6 | 0 | 112.4 | D901 | K899-D901 IonicContact NZ-OD2 3.7Š|
| 900 | V | 24.2 | Very low | 25.2 | Very low | 118 Ų | 118 | 156.3 Ų | 156.3 | 72% | 0.715 | 78% | 0.779 | S | S | * | * | | | trans | -120.1 | 112.7 | 162.8 | 173.5 | 0 | 0 | 0 | 0 | 105.7 | I902 | V900-I902 HydrophobicContact CG1-CD1 3.91Å; V900-I902 HydrophobicContact CG1-CG1 3.88Å |
| 901 | D | 26.2 | Very low | 25.2 | Very low | 131 Ų | 131 | 158.7 Ų | 158.7 | 70% | 0.701 | 78% | 0.784 | S | S | * | * | | | trans | -109.3 | 117 | 165.7 | -83.1 | -56.8 | 0 | 0 | 0 | 107.4 | K899 | K899-D901 IonicContact NZ-OD2 3.7Š|
| 902 | I | 22.5 | Very low | 25.2 | Very low | 164 Ų | 164 | 157.8 Ų | 157.8 | 84% | 0.841 | 78% | 0.781 | S | S | * | * | | | trans | -123.5 | 106.3 | 172.7 | -67.3 | 175.8 | 0 | 0 | 0 | 108 | V900 | V900-I902 HydrophobicContact CG1-CD1 3.91Å; V900-I902 HydrophobicContact CG1-CG1 3.88Å |
| 903 | G | 27.2 | Very low | 25.2 | Very low | 61 Ų | 61 | 151.5 Ų | 151.5 | 63% | 0.629 | 77% | 0.768 | S | S | * | * | | | trans | 166 | 134.9 | 179.4 | 0 | 0 | 0 | 0 | 0 | 107.4 | | |
| 904 | Y | 24.9 | Very low | 25.2 | Very low | 242 Ų | 242 | 151.7 Ų | 151.7 | 95% | 0.949 | 77% | 0.77 | S | S | * | * | | | cis | -108.7 | -177.3 | 27.1 | -79.9 | -99.3 | 0 | 0 | 0 | 115.1 | | |
| 905 | K | 24.3 | Very low | 25.2 | Very low | 163 Ų | 163 | 150.6 Ų | 150.6 | 71% | 0.709 | 77% | 0.768 | S | S | * | * | | | trans | -156.1 | 147.5 | -165.1 | -169.2 | -177 | 179.2 | -179.1 | 0 | 109.5 | | |
| 906 | F | 23.4 | Very low | 25.4 | Very low | 160 Ų | 160 | 146.9 Ų | 146.9 | 70% | 0.702 | 77% | 0.766 | S | S | * | * | | | trans | 68.4 | 146.5 | -174.5 | -53.4 | -74.9 | 0 | 0 | 0 | 113.1 | | |
| 907 | H | 26.2 | Very low | 25.7 | Very low | 175 Ų | 175 | 145.8 Ų | 145.8 | 81% | 0.81 | 77% | 0.767 | S | S | * | * | | | cis | -146.6 | 162.4 | 40.6 | -127.9 | -86 | 0 | 0 | 0 | 114.8 | | |
| 908 | D | 22.2 | Very low | 25.8 | Very low | 144 Ų | 144 | 144 Ų | 144 | 77% | 0.77 | 76% | 0.759 | S | S | * | * | | | trans | -68.9 | 152.7 | 161.4 | -56.6 | -87.6 | 0 | 0 | 0 | 111.8 | | |
| 909 | G | 23.9 | Very low | 25.9 | Very low | 70 Ų | 70 | 144.7 Ų | 144.7 | 72% | 0.722 | 76% | 0.758 | S | S | * | * | | | trans | 137.7 | 118.4 | 154.5 | 0 | 0 | 0 | 0 | 0 | 116.8 | | |
| 910 | L | 23.5 | Very low | 25.9 | Very low | 157 Ų | 157 | 140.3 Ų | 140.3 | 82% | 0.822 | 76% | 0.755 | S | S | * | * | | | trans | 3.5 | 130 | 142.4 | -71.6 | 150.6 | 0 | 0 | 0 | 118 | | |
| 911 | F | 26.5 | Very low | 26 | Very low | 207 Ų | 207 | 139.5 Ų | 139.5 | 91% | 0.908 | 75% | 0.754 | S | S | * | * | | | | -151.8 | 130.9 | 114.2 | -114.7 | -75.8 | 0 | 0 | 0 | 111.2 | | |
| 912 | N | 25.5 | Very low | 26.1 | Very low | 146 Ų | 146 | 143.1 Ų | 143.1 | 78% | 0.781 | 76% | 0.764 | S | S | * | * | | | trans | -89.3 | 145.8 | 162.6 | -87.1 | 5.4 | 0 | 0 | 0 | 109 | | |
| 913 | G | 26.5 | Very low | 26.1 | Very low | 54 Ų | 54 | 142 Ų | 142 | 56% | 0.557 | 76% | 0.759 | S | S | * | * | | | | 78.3 | 110.8 | 118.5 | 0 | 0 | 0 | 0 | 0 | 119.5 | | |
| 914 | D | 26.2 | Very low | 26.3 | Very low | 165 Ų | 165 | 143.9 Ų | 143.9 | 88% | 0.882 | 76% | 0.758 | S | S | * | * | | | | 83.4 | 138.1 | 118.5 | -46.7 | -33.8 | 0 | 0 | 0 | 121.2 | | |
| 915 | T | 28.2 | Very low | 26.7 | Very low | 131 Ų | 131 | 138.5 Ų | 138.5 | 80% | 0.804 | 75% | 0.746 | S | S | * | * | | | trans | -150.2 | 149.9 | 165.8 | 45.5 | 0 | 0 | 0 | 0 | 106.8 | | |
| 916 | T | 30.5 | Very low | 27.1 | Very low | 115 Ų | 115 | 136 Ų | 136 | 71% | 0.706 | 74% | 0.74 | S | S | * | * | | | cis | -155.3 | 177.3 | -11.1 | 33.4 | 0 | 0 | 0 | 0 | 105.6 | | |
| 917 | Q | 30.7 | Very low | 27.3 | Very low | 153 Ų | 153 | 133.8 Ų | 133.8 | 72% | 0.715 | 74% | 0.736 | S | S | * | * | | | | -169.9 | 176.4 | 53.4 | -69.7 | -173.2 | 7 | 0 | 0 | 108 | | |
| 918 | Q | 28.8 | Very low | 28 | Very low | 154 Ų | 154 | 131.7 Ų | 131.7 | 72% | 0.72 | 73% | 0.73 | S | S | * | * | | | cis | -157 | -175.6 | 15.6 | -139 | 177.5 | 74.8 | 0 | 0 | 106.7 | | |
| 919 | H | 26.1 | Very low | 28.2 | Very low | 146 Ų | 146 | 130.9 Ų | 130.9 | 68% | 0.676 | 73% | 0.726 | S | S | * | * | | | cis | -149.1 | -77.9 | 3 | 176.6 | 16.1 | 0 | 0 | 0 | 113.8 | | |
| 920 | A | 27 | Very low | 28.3 | Very low | 90 Ų | 90 | 134.8 Ų | 134.8 | 74% | 0.744 | 73% | 0.725 | S | S | * | * | | | trans | -80.6 | 126.2 | -161.3 | 0 | 0 | 0 | 0 | 0 | 112.6 | | |
| 921 | C | 25.1 | Very low | 28.4 | Very low | 102 Ų | 102 | 131.9 Ų | 131.9 | 69% | 0.689 | 72% | 0.718 | S | S | * | * | | | cis | 99.1 | 85.6 | 35.7 | -71.1 | 0 | 0 | 0 | 0 | 114.1 | | |
| 922 | K | 28.3 | Very low | 28.3 | Very low | 207 Ų | 207 | 132.9 Ų | 132.9 | 90% | 0.9 | 72% | 0.716 | S | S | * | * | | | trans | 166.3 | 148.9 | 139.7 | -93.9 | 172.3 | -179.9 | 177.6 | 0 | 109 | | |
| 923 | N | 23.9 | Very low | 28.2 | Very low | 140 Ų | 140 | 130.6 Ų | 130.6 | 75% | 0.749 | 71% | 0.71 | S | S | * | * | | | cis | -167.7 | 175.3 | -27.6 | -161.3 | 5.3 | 0 | 0 | 0 | 107.3 | | |
| 924 | V | 29.8 | Very low | 28.1 | Very low | 101 Ų | 101 | 138.4 Ų | 138.4 | 61% | 0.612 | 72% | 0.723 | S | S | * | * | | | trans | 67.7 | 120.2 | 158.4 | 175.4 | 0 | 0 | 0 | 0 | 116.3 | | |
| 925 | N | 34.4 | Very low | 28.1 | Very low | 129 Ų | 129 | 135.2 Ų | 135.2 | 69% | 0.69 | 71% | 0.714 | S | S | * | * | | | trans | 72.9 | 138.2 | 155.2 | -67.7 | -0.7 | 0 | 0 | 0 | 119.6 | | |
| 926 | N | 31.8 | Very low | 28.1 | Very low | 111 Ų | 111 | 137.4 Ų | 137.4 | 59% | 0.594 | 71% | 0.712 | S | S | * | * | | | cis | -160.7 | 147.8 | -20.3 | -122.6 | -7.2 | 0 | 0 | 0 | 112.8 | | |
| 927 | N | 29 | Very low | 28 | Very low | 113 Ų | 113 | 136.9 Ų | 136.9 | 60% | 0.604 | 71% | 0.705 | S | S | * | * | | | trans | 45 | 150.6 | 132.4 | -65 | -11 | 0 | 0 | 0 | 122.6 | | |
| 928 | N | 40.8 | Very low | 27.9 | Very low | 130 Ų | 130 | 134.6 Ų | 134.6 | 70% | 0.695 | 71% | 0.706 | S | S | * | * | | | trans | 63.1 | 79.1 | 150.4 | -58.9 | -6.5 | 0 | 0 | 0 | 113.3 | | |
| 929 | N | 24.8 | Very low | 28 | Very low | 127 Ų | 127 | 134.1 Ų | 134.1 | 68% | 0.679 | 71% | 0.707 | S | S | * | * | | | cis | 48.4 | 155.4 | 40.2 | -60.6 | -18.3 | 0 | 0 | 0 | 113.8 | | |
| 930 | H | 26 | Very low | 28 | Very low | 153 Ų | 153 | 133.9 Ų | 133.9 | 71% | 0.708 | 71% | 0.71 | S | S | * | * | | | trans | 63.2 | 108.3 | 161 | -57.5 | -50 | 0 | 0 | 0 | 116.9 | | |
| 931 | S | 27.6 | Very low | 27.8 | Very low | 96 Ų | 96 | 133.7 Ų | 133.7 | 67% | 0.671 | 70% | 0.704 | S | S | * | * | | | | 54.5 | 88.8 | 60.1 | 90 | 0 | 0 | 0 | 0 | 112.9 | | |
| 932 | R | 23.9 | Very low | 27.8 | Very low | 227 Ų | 227 | 135.2 Ų | 135.2 | 86% | 0.857 | 71% | 0.705 | S | S | * | * | | | | -176.5 | 138.5 | 128.9 | -109.1 | -179.7 | 170.2 | 130.7 | -2.3 | 111.7 | | |
| 933 | C | 23.4 | Very low | 27.8 | Very low | 99 Ų | 99 | 132 Ų | 132 | 67% | 0.669 | 70% | 0.697 | S | S | * | * | | | trans | 68.3 | 161.2 | 142.4 | -64.7 | 0 | 0 | 0 | 0 | 117.1 | | |
| 934 | R | 24.8 | Very low | 28.1 | Very low | 217 Ų | 217 | 130.6 Ų | 130.6 | 82% | 0.819 | 69% | 0.689 | S | S | * | * | | | cis | -155.9 | 146.4 | -10.9 | -127.9 | 170.9 | 178.7 | 178.3 | -2.4 | 110.2 | | |
| 935 | S | 25.1 | Very low | 27.8 | Very low | 98 Ų | 98 | 133 Ų | 133 | 69% | 0.685 | 70% | 0.698 | S | S | * | * | | | trans | 64.2 | 161.8 | 155.3 | -46.7 | 0 | 0 | 0 | 0 | 114.4 | | |
| 936 | K | 28.3 | Very low | 27.4 | Very low | 177 Ų | 177 | 135 Ų | 135 | 77% | 0.77 | 70% | 0.701 | S | S | * | * | | | cis | -141.5 | 155 | 23.1 | -78.8 | -174.8 | 142.7 | -110 | 0 | 109.6 | | |
| 937 | D | 28.8 | Very low | 27.3 | Very low | 105 Ų | 105 | 136.8 Ų | 136.8 | 56% | 0.561 | 71% | 0.71 | S | S | * | * | | | cis | -155.6 | 168.1 | -3.2 | -100.5 | -26.9 | 0 | 0 | 0 | 108.7 | | |
| 938 | S | 28.5 | Very low | 27.3 | Very low | 105 Ų | 105 | 137.2 Ų | 137.2 | 73% | 0.734 | 71% | 0.712 | S | S | * | * | | | trans | 66.7 | 124.5 | 153.6 | -75 | 0 | 0 | 0 | 0 | 119.6 | | |
| 939 | L | 29.7 | Very low | 26.7 | Very low | 143 Ų | 143 | 137.5 Ų | 137.5 | 75% | 0.749 | 71% | 0.714 | S | S | * | * | | | cis | -144.4 | 147.2 | -1.1 | -82.2 | 174.6 | 0 | 0 | 0 | 110.9 | | |
| 940 | L | 26.4 | Very low | 26.9 | Very low | 141 Ų | 141 | 136.5 Ų | 136.5 | 74% | 0.738 | 72% | 0.717 | S | S | * | * | | | trans | 36.7 | 125.2 | 135.1 | -60.9 | 176.7 | 0 | 0 | 0 | 118.8 | | |
| 941 | S | 24.3 | Very low | 26.7 | Very low | 87 Ų | 87 | 134.2 Ų | 134.2 | 61% | 0.608 | 72% | 0.718 | S | S | * | * | | | | 61.9 | 141.3 | 71.7 | -74.3 | 0 | 0 | 0 | 0 | 112.4 | | |
| 942 | D | 24.1 | Very low | 26.5 | Very low | 134 Ų | 134 | 137 Ų | 137 | 72% | 0.717 | 73% | 0.725 | S | S | * | * | | | cis | -159.8 | 174.5 | -10.9 | -97.9 | -46.1 | 0 | 0 | 0 | 105.3 | | |
| 943 | D | 28.5 | Very low | 26.7 | Very low | 138 Ų | 138 | 133.2 Ų | 133.2 | 74% | 0.738 | 73% | 0.728 | S | S | * | * | | | trans | 149.1 | 127.8 | 133.2 | -82.8 | -21.3 | 0 | 0 | 0 | 116.1 | | |
| 944 | I | 30.1 | Very low | 26.8 | Very low | 112 Ų | 112 | 136 Ų | 136 | 57% | 0.574 | 73% | 0.731 | S | S | * | * | | | | 54.3 | 110 | 127.5 | -56.8 | 171 | 0 | 0 | 0 | 116.6 | F946 | I944-F946 HydrophobicContact CG2-CD2 3.65Å; I944-F946 HydrophobicContact CG2-CE2 3.74Å |
| 945 | N | 24 | Very low | 27 | Very low | 151 Ų | 151 | 135.2 Ų | 135.2 | 81% | 0.807 | 74% | 0.736 | S | S | * | * | | | | 64.9 | 162.7 | 74.3 | -75.1 | -40.5 | 0 | 0 | 0 | 115 | | |
| 946 | F | 25.8 | Very low | 27.1 | Very low | 170 Ų | 170 | 137.9 Ų | 137.9 | 75% | 0.746 | 74% | 0.737 | S | S | * | * | | | trans | 69.8 | 130 | -165.5 | -51.9 | -78.9 | 0 | 0 | 0 | 113 | I944 | I944-F946 HydrophobicContact CG2-CD2 3.65Å; I944-F946 HydrophobicContact CG2-CE2 3.74Å |
| 947 | L | 30.1 | Very low | 27 | Very low | 149 Ų | 149 | 139.5 Ų | 139.5 | 78% | 0.78 | 74% | 0.74 | S | S | * | * | | | cis | -122.5 | 143.2 | 0.2 | -81.9 | 101.2 | 0 | 0 | 0 | 109.3 | | |
| 948 | N | 28.4 | Very low | 27.2 | Very low | 122 Ų | 122 | 140.9 Ų | 140.9 | 65% | 0.652 | 74% | 0.743 | S | S | * | * | | | | 49 | 128 | 83 | -65.7 | 1.2 | 0 | 0 | 0 | 113.1 | | |
| 949 | N | 28.5 | Very low | 27.1 | Very low | 136 Ų | 136 | 140.7 Ų | 140.7 | 73% | 0.727 | 73% | 0.734 | S | S | * | * | | | cis | -150.6 | 153.9 | 13.4 | -105.3 | -12.2 | 0 | 0 | 0 | 114.9 | | |
| 950 | S | 28.4 | Very low | 27.1 | Very low | 106 Ų | 106 | 142.8 Ų | 142.8 | 74% | 0.741 | 73% | 0.734 | S | S | * | * | | | trans | 22.4 | 129.6 | 148.3 | -49.8 | 0 | 0 | 0 | 0 | 122.4 | | |
| 951 | S | 22.6 | Very low | 27.2 | Very low | 105 Ų | 105 | 142.7 Ų | 142.7 | 73% | 0.734 | 73% | 0.734 | S | S | * | * | S | Bend | trans | -69.9 | 159.1 | 145.2 | 45.3 | 0 | 0 | 0 | 0 | 112.3 | | |
| 952 | N | 22.6 | Very low | 27.5 | Very low | 154 Ų | 154 | 145.9 Ų | 145.9 | 82% | 0.824 | 74% | 0.744 | S | S | * | * | | | trans | 59.1 | 115.9 | 168.1 | -67.3 | -9 | 0 | 0 | 0 | 119.3 | | |
| 953 | T | 28.1 | Very low | 28 | Very low | 148 Ų | 148 | 148.6 Ų | 148.6 | 91% | 0.908 | 75% | 0.749 | S | S | * | * | | | trans | -148 | 145.7 | 140.1 | -35.2 | 0 | 0 | 0 | 0 | 109.2 | | |
| 954 | Q | 25.2 | Very low | 28 | Very low | 158 Ų | 158 | 147.7 Ų | 147.7 | 74% | 0.738 | 75% | 0.751 | S | S | * | * | | | trans | -87.2 | 155.5 | -175.9 | -61.9 | 162.8 | -73.3 | 0 | 0 | 112 | | |
| 955 | H | 30.2 | Very low | 27.8 | Very low | 200 Ų | 200 | 152.7 Ų | 152.7 | 93% | 0.926 | 77% | 0.769 | S | S | * | * | | | trans | -135.4 | 130.4 | 146.9 | -104.2 | -84.9 | 0 | 0 | 0 | 110 | | |
| 956 | H | 26.1 | Very low | 28 | Very low | 154 Ų | 154 | 149 Ų | 149 | 71% | 0.713 | 77% | 0.766 | S | S | * | * | | | trans | -80.4 | 146.1 | 178.4 | -94.8 | -74.3 | 0 | 0 | 0 | 112.1 | | |
| 957 | Y | 27.2 | Very low | 28 | Very low | 212 Ų | 212 | 149.3 Ų | 149.3 | 83% | 0.831 | 78% | 0.775 | S | S | * | * | | | | 170.3 | 127.5 | 129.5 | -90.4 | -68.8 | 0 | 0 | 0 | 106.8 | | |
| 958 | Q | 31.8 | Very low | 27.9 | Very low | 134 Ų | 134 | 149.6 Ų | 149.6 | 63% | 0.626 | 78% | 0.777 | S | S | * | * | | | cis | -160.4 | 150.7 | -8.5 | -147.2 | -173.4 | 8.1 | 0 | 0 | 109.6 | | |
| 959 | N | 27.8 | Very low | 27.6 | Very low | 101 Ų | 101 | 148.7 Ų | 148.7 | 54% | 0.54 | 78% | 0.78 | S | S | . | * | | | trans | 61 | 136.9 | 157.1 | -65.5 | -10 | 0 | 0 | 0 | 119.7 | | |
| 960 | Y | 29.7 | Very low | 27.9 | Very low | 187 Ų | 187 | 147.9 Ų | 147.9 | 73% | 0.733 | 78% | 0.782 | S | S | * | * | | | cis | -141 | 143.9 | -6.7 | -97.5 | -63.3 | 0 | 0 | 0 | 110.8 | | |
| 961 | D | 28.3 | Very low | 27.7 | Very low | 139 Ų | 139 | 148.4 Ų | 148.4 | 74% | 0.743 | 78% | 0.781 | S | S | * | * | | | trans | 27 | 128.7 | 152 | -52.5 | -18.7 | 0 | 0 | 0 | 121.5 | | |
| 962 | N | 29.3 | Very low | 28 | Very low | 154 Ų | 154 | 152.6 Ų | 152.6 | 82% | 0.824 | 79% | 0.788 | S | S | * | * | | | trans | -151.1 | 134.2 | 151.9 | -127.4 | -64.5 | 0 | 0 | 0 | 112.6 | | |
| 963 | K | 36.5 | Very low | 28.2 | Very low | 190 Ų | 190 | 152 Ų | 152 | 83% | 0.826 | 78% | 0.781 | S | S | * | * | | | trans | 69.8 | 125 | -175.8 | -52.7 | -178.2 | -179.4 | -179.8 | 0 | 114.6 | | |
| 964 | P | 28.6 | Very low | 28.3 | Very low | 120 Ų | 120 | 152.6 Ų | 152.6 | 78% | 0.779 | 78% | 0.777 | S | S | * | * | | | | -120.2 | 175.6 | 89.1 | -2.2 | 22.9 | 0 | 0 | 0 | 115.8 | | |
| 965 | F | 24.7 | Very low | 28.2 | Very low | 216 Ų | 216 | 150.6 Ų | 150.6 | 95% | 0.947 | 77% | 0.772 | S | S | * | * | | | trans | -16.5 | 143.1 | 166.3 | -59.7 | -91.7 | 0 | 0 | 0 | 120.1 | | |
| 966 | G | 27.5 | Very low | 28.2 | Very low | 73 Ų | 73 | 150 Ų | 150 | 75% | 0.753 | 77% | 0.767 | S | S | * | * | | | trans | 153.1 | 88.5 | 147.1 | 0 | 0 | 0 | 0 | 0 | 117.4 | | |
| 967 | L | 26.2 | Very low | 28.3 | Very low | 177 Ų | 177 | 149.1 Ų | 149.1 | 93% | 0.927 | 77% | 0.767 | S | S | * | * | | | trans | -140.7 | 140.1 | 151.1 | -83.6 | -176.4 | 0 | 0 | 0 | 111 | | |
| 968 | L | 27.7 | Very low | 28.3 | Very low | 156 Ų | 156 | 143.6 Ų | 143.6 | 82% | 0.817 | 76% | 0.76 | S | S | * | * | | | trans | -112.6 | 133.2 | 173.5 | -73.2 | 141.4 | 0 | 0 | 0 | 106 | | |
| 969 | S | 23.9 | Very low | 28 | Very low | 103 Ų | 103 | 147.2 Ų | 147.2 | 72% | 0.72 | 77% | 0.774 | S | S | * | * | | | | 66.7 | 151.6 | 81.7 | -47.5 | 0 | 0 | 0 | 0 | 114.6 | | |
| 970 | P | 33.1 | Very low | 27.8 | Very low | 118 Ų | 118 | 146.2 Ų | 146.2 | 77% | 0.766 | 79% | 0.787 | S | S | * | * | | | cis | -141.5 | -176.7 | -30.7 | 37.8 | -18.6 | 0 | 0 | 0 | 115.5 | | |
| 971 | T | 24.9 | Very low | 27.7 | Very low | 118 Ų | 118 | 143.9 Ų | 143.9 | 72% | 0.724 | 79% | 0.792 | S | S | * | * | | | trans | -30.1 | 146.1 | 168 | 54.2 | 0 | 0 | 0 | 0 | 121.7 | | |
| 972 | H | 29.5 | Very low | 27.5 | Very low | 192 Ų | 192 | 141.7 Ų | 141.7 | 89% | 0.889 | 79% | 0.788 | S | S | * | * | | | | -158.1 | 105.6 | 123.9 | -95.8 | -79 | 0 | 0 | 0 | 107.2 | | |
| 973 | H | 25.7 | Very low | 27.5 | Very low | 143 Ų | 143 | 143.2 Ų | 143.2 | 66% | 0.662 | 79% | 0.79 | S | S | * | * | | | | 80 | 99.6 | 70 | -164.6 | -37.8 | 0 | 0 | 0 | 114.4 | D975 | H973-D975 IonicContact CE1-OD2 3.72Š|
| 974 | L | 30 | Very low | 26.9 | Very low | 159 Ų | 159 | 142.1 Ų | 142.1 | 83% | 0.832 | 79% | 0.789 | S | S | * | * | | | | -177.7 | 147.2 | 130 | -98.3 | 169.6 | 0 | 0 | 0 | 111 | | |
| 975 | D | 24.1 | Very low | 26.9 | Very low | 117 Ų | 117 | 141.5 Ų | 141.5 | 63% | 0.626 | 78% | 0.784 | S | S | * | * | | | trans | -98.8 | 157.4 | -162 | -44.1 | -93.9 | 0 | 0 | 0 | 113.8 | H973 | H973-D975 IonicContact CE1-OD2 3.72Š|
| 976 | F | 29.2 | Very low | 27.1 | Very low | 187 Ų | 187 | 138.7 Ų | 138.7 | 82% | 0.82 | 78% | 0.779 | S | S | * | * | | | | 173.5 | 126 | 114.3 | -107.9 | -87 | 0 | 0 | 0 | 114.2 | | |
| 977 | D | 28 | Very low | 27.1 | Very low | 135 Ų | 135 | 140.9 Ų | 140.9 | 72% | 0.722 | 78% | 0.782 | S | S | * | * | | | trans | 35.3 | 99.7 | 150.3 | -60.3 | -11.2 | 0 | 0 | 0 | 123.6 | | |
| 978 | S | 28 | Very low | 27 | Very low | 97 Ų | 97 | 140.3 Ų | 140.3 | 68% | 0.678 | 78% | 0.78 | S | S | * | * | | | | 59.2 | 92.9 | 111.3 | -171.6 | 0 | 0 | 0 | 0 | 122.2 | | |
| 979 | F | 25.6 | Very low | 27 | Very low | 210 Ų | 210 | 138.6 Ų | 138.6 | 92% | 0.921 | 78% | 0.777 | S | S | * | * | | | | 50.2 | 122.5 | 130 | -61.4 | -71.6 | 0 | 0 | 0 | 122.5 | | |
| 980 | G | 24.5 | Very low | 27.2 | Very low | 79 Ų | 79 | 143.3 Ų | 143.3 | 81% | 0.814 | 78% | 0.78 | S | S | * | * | | | trans | -172.5 | 29.5 | 169.3 | 0 | 0 | 0 | 0 | 0 | 117.2 | | |
| 981 | V | 25.9 | Very low | 26.9 | Very low | 138 Ų | 138 | 142.4 Ų | 142.4 | 84% | 0.836 | 78% | 0.783 | S | S | * | * | | | trans | -138.6 | 108.3 | -174 | -173.3 | 0 | 0 | 0 | 0 | 107.8 | | |
| 982 | S | 24.8 | Very low | 26.9 | Very low | 94 Ų | 94 | 144.2 Ų | 144.2 | 66% | 0.657 | 78% | 0.781 | S | S | * | * | | | | 62.6 | 92.8 | 81.6 | -164.2 | 0 | 0 | 0 | 0 | 113.9 | | |
| 983 | E | 28.6 | Very low | 26.8 | Very low | 186 Ų | 186 | 139.9 Ų | 139.9 | 87% | 0.869 | 77% | 0.772 | S | S | * | * | | | trans | -108.2 | 76.5 | 177.1 | -164.8 | 164.4 | -135.3 | 0 | 0 | 111.5 | T985 | E983-T985 PolarHBondContact O-N 3.21Š|
| 984 | M | 24.9 | Very low | 27.4 | Very low | 166 Ų | 166 | 139.9 Ų | 139.9 | 82% | 0.818 | 78% | 0.782 | S | S | * | * | | | trans | -81.8 | 76.1 | 172.1 | -79 | 166.6 | 37.1 | 0 | 0 | 111.9 | | |
| 985 | T | 28.3 | Very low | 27.9 | Very low | 108 Ų | 108 | 136.3 Ų | 136.3 | 66% | 0.663 | 76% | 0.76 | S | S | * | * | | | trans | -161.3 | 112.7 | 155.9 | 35.2 | 0 | 0 | 0 | 0 | 112.5 | E983 | E983-T985 PolarHBondContact O-N 3.21Š|
| 986 | N | 28 | Very low | 29.3 | Very low | 157 Ų | 157 | 135.9 Ų | 135.9 | 84% | 0.84 | 76% | 0.758 | S | S | * | * | | | trans | -179.6 | 43.2 | 136.7 | -93.6 | -32.2 | 0 | 0 | 0 | 112.1 | N988 | N986-N988 VanDerWaalsContact C-N 3.26Å; N986-N988 PolarHBondContact O-N 3.35Å |
| 987 | S | 27.4 | Very low | 30.9 | Very low | 118 Ų | 118 | 131 Ų | 131 | 83% | 0.825 | 75% | 0.747 | S | S | * | * | | | trans | -79.3 | 65.6 | 178.1 | 56.4 | 0 | 0 | 0 | 0 | 112.2 | | |
| 988 | N | 25 | Very low | 32.9 | Very low | 166 Ų | 166 | 129 Ų | 129 | 89% | 0.888 | 74% | 0.736 | S | S | * | * | | | trans | -157 | 31.3 | 171.6 | -106.6 | -21.7 | 0 | 0 | 0 | 114.4 | N986 | N986-N988 VanDerWaalsContact C-N 3.26Å; N986-N988 PolarHBondContact O-N 3.35Å |
| 989 | T | 27.9 | Very low | 34.7 | Very low | 120 Ų | 120 | 124.8 Ų | 124.8 | 74% | 0.736 | 71% | 0.706 | S | S | * | * | S | Bend | trans | -135.6 | 112.7 | 175.8 | -58.3 | 0 | 0 | 0 | 0 | 111.3 | | |
| 990 | Y | 27 | Very low | 36.7 | Very low | 201 Ų | 201 | 117.8 Ų | 117.8 | 79% | 0.788 | 68% | 0.679 | S | S | * | * | | | trans | 23.1 | 95.1 | 166 | -69.3 | -84.5 | 0 | 0 | 0 | 118.4 | F992 | Y990-F992 VanDerWaalsContact C-N 3.34Å; Y990-F992 HydrophobicContact CD1-CE2 4.44Å; Y990-F992 PolarHBondContact O-N 3.04Å |
| 991 | A | 26.9 | Very low | 39 | Very low | 100 Ų | 100 | 116.2 Ų | 116.2 | 83% | 0.826 | 66% | 0.657 | S | S | * | * | | | trans | -70.2 | 79 | 174.5 | 0 | 0 | 0 | 0 | 0 | 113.7 | | |
| 992 | F | 26.7 | Very low | 41.7 | Very low | 156 Ų | 156 | 111 Ų | 111 | 68% | 0.684 | 62% | 0.623 | S | S | * | * | | | trans | -112.5 | 13.2 | 166.2 | -77.5 | -70.7 | 0 | 0 | 0 | 112.9 | Y990 | Y990-F992 VanDerWaalsContact C-N 3.34Å; Y990-F992 HydrophobicContact CD1-CE2 4.44Å; Y990-F992 PolarHBondContact O-N 3.04Å |
| 993 | S | 27 | Very low | 44.1 | Very low | 101 Ų | 101 | 109.9 Ų | 109.9 | 71% | 0.706 | 61% | 0.608 | S | S | * | * | | | trans | -119 | 50.4 | -159.4 | 61.3 | 0 | 0 | 0 | 0 | 115.8 | | |
| 994 | T | 37.4 | Very low | 46.4 | Very low | 142 Ų | 142 | 110.4 Ų | 110.4 | 87% | 0.871 | 60% | 0.602 | S | S | * | * | | | trans | -160.4 | 72.6 | 154.6 | 47.4 | 0 | 0 | 0 | 0 | 110.5 | | |
| 995 | F | 41 | Very low | 49 | Very low | 84 Ų | 84 | 104.9 Ų | 104.9 | 37% | 0.368 | 58% | 0.576 | S | S | . | * | | | trans | -80.5 | 125.8 | 155.3 | -75.7 | -64.8 | 0 | 0 | 0 | 108.3 | S997 L1000 P1127 R1128 | F995-S997 PolarHBondContact O-N 3.18Å; F995-L1000 HydrophobicContact CB-CD1 3.78Å; F995-L1000 HydrophobicContact CB-CG 3.93Å; F995-P1127 HydrophobicContact CE1-CB 4.02Å; F995-P1127 HydrophobicContact CZ-CB 3.74Å; F995-R1128 WeakPolarHBondContact CE1-O 3.29Å |
| 996 | D | 54.2 | Low | 51.5 | Low | 108 Ų | 108 | 103.5 Ų | 103.5 | 58% | 0.578 | 57% | 0.571 | S | S | * | * | | | trans | -51.1 | 135.6 | 169.4 | -82.7 | -46 | 0 | 0 | 0 | 110 | D998 C999 L1000 | D996-D998 PolarHBondContact O-N 3.5Å; D996-D998 VanDerWaalsContact O-N 3.08Å; D996-C999 HydrophobicContact CB-CB 4.26Å; D996-C999 PolarHBondContact O-N 3.48Å; D996-L1000 PolarHBondContact O-N 3.07Å; D996-L1000 VanDerWaalsContact O-N 3.13Å |
| 997 | S | 62.9 | Low | 54.1 | Low | 84 Ų | 84 | 99.9 Ų | 99.9 | 59% | 0.587 | 55% | 0.551 | S | S | * | * | H | α-helix | trans | -46.9 | -39.4 | 171.4 | 45.8 | 0 | 0 | 0 | 0 | 111.3 | F995 L1000 A1001 | F995-S997 PolarHBondContact O-N 3.18Å; S997-L1000 PolarHBondContact O-N 3.02Å; S997-A1001 VanDerWaalsContact O-CB 3.3Å; S997-A1001 WeakPolarHBondContact O-CB 3.35Å; S997-A1001 PolarHBondContact O-N 3.04Å |
| 998 | D | 68.3 | Low | 57 | Low | 93 Ų | 93 | 98.3 Ų | 98.3 | 50% | 0.497 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -77.8 | -20.5 | -175 | -67.8 | 32.6 | 0 | 0 | 0 | 113.1 | D996 W1002 R1210 | D996-D998 PolarHBondContact O-N 3.5Å; D996-D998 VanDerWaalsContact O-N 3.08Å; D998-W1002 WeakPolarHBondContact O-CB 3.38Å; D998-W1002 PolarHBondContact O-N 3.01Å; D998-R1210 PolarHBondContact O-NH1 2.89Å |
| 999 | C | 66 | Low | 59.7 | Low | 9 Ų | 9 | 94.4 Ų | 94.4 | 6% | 0.061 | 51% | 0.506 | C | S | . | . | H | α-helix | trans | -78.6 | -43.4 | 167.4 | -78 | 0 | 0 | 0 | 0 | 110.3 | D996 W1002 M1003 G1129 | D996-C999 HydrophobicContact CB-CB 4.26Å; D996-C999 PolarHBondContact O-N 3.48Å; C999-W1002 PolarHBondContact O-N 3.03Å; C999-M1003 HydrophobicContact CB-CE 4.42Å; C999-M1003 WeakPolarHBondContact O-CE 3.32Å; C999-M1003 WeakPolarHBondContact O-CG 3.43Å; C999-M1003 PolarHBondContact O-N 3.08Å; C999-G1129 PolarHBondContact SG-O 3.38Å |
| 1000 | L | 68.3 | Low | 62.4 | Low | 64 Ų | 64 | 89.9 Ų | 89.9 | 34% | 0.335 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -67.2 | -34 | 176.2 | -74.8 | 167.4 | 0 | 0 | 0 | 113.1 | F995 D996 S997 M1003 R1004 | F995-L1000 HydrophobicContact CB-CD1 3.78Å; F995-L1000 HydrophobicContact CB-CG 3.93Å; D996-L1000 PolarHBondContact O-N 3.07Å; D996-L1000 VanDerWaalsContact O-N 3.13Å; S997-L1000 PolarHBondContact O-N 3.02Å; L1000-M1003 HydrophobicContact CD2-CE 4.04Å; L1000-M1003 HydrophobicContact CG-CE 4.48Å; L1000-R1004 WeakPolarHBondContact O-CG 3.34Å |
| 1001 | A | 73.3 | Confident | 64.8 | Low | 45 Ų | 45 | 81.8 Ų | 81.8 | 37% | 0.372 | 45% | 0.45 | S | S | . | . | H | α-helix | trans | -65.1 | -50.4 | 174.1 | 0 | 0 | 0 | 0 | 0 | 110.8 | S997 M1003 R1004 | S997-A1001 VanDerWaalsContact O-CB 3.3Å; S997-A1001 WeakPolarHBondContact O-CB 3.35Å; S997-A1001 PolarHBondContact O-N 3.04Å; A1001-M1003 VanDerWaalsContact C-N 3.32Å; A1001-M1003 PolarHBondContact O-N 2.81Å; A1001-R1004 WeakPolarHBondContact O-CB 3.49Å; A1001-R1004 PolarHBondContact O-N 3.18Å |
| 1002 | W | 82.4 | Confident | 66.1 | Low | 28 Ų | 28 | 83.1 Ų | 83.1 | 11% | 0.106 | 44% | 0.443 | C | S | . | . | H | α-helix | trans | -61.5 | -36.5 | 178.4 | -86.8 | 62.4 | 0 | 0 | 0 | 113.3 | D998 C999 R1004 L1005 H1167 L1169 I1174 K1207 Q1208 R1210 | D998-W1002 WeakPolarHBondContact O-CB 3.38Å; D998-W1002 PolarHBondContact O-N 3.01Å; C999-W1002 PolarHBondContact O-N 3.03Å; W1002-R1004 PolarHBondContact O-N 3.12Å; W1002-L1005 PolarHBondContact O-N 3.3Å; W1002-H1167 HydrophobicContact CZ3-CB 3.77Å; W1002-L1169 HydrophobicContact CH2-CB 3.96Å; W1002-L1169 HydrophobicContact CZ2-CB 3.8Å; W1002-L1169 HydrophobicContact CZ2-CD2 4.24Å; W1002-I1174 HydrophobicContact CD2-CD1 4.29Å; W1002-I1174 HydrophobicContact CE3-CD1 3.62Å; W1002-I1174 HydrophobicContact CE3-CG1 4.34Å; W1002-I1174 HydrophobicContact CZ3-CD1 4.12Å; W1002-I1174 HydrophobicContact CZ3-CG1 4.43Å; W1002-I1174 WeakPolarHBondContact O-CD1 3.33Å; W1002-K1207 VanDerWaalsContact CZ2-O 3.31Å; W1002-K1207 WeakPolarHBondContact CZ2-O 3.44Å; W1002-Q1208 WeakPolarHBondContact CH2-O 3.48Å; W1002-R1210 HydrophobicContact CE3-CG 4.4Å; W1002-R1210 VanDerWaalsContact CG-NH1 3.28Å; W1002-R1210 HydrophobicContact CH2-CB 4.35Å; W1002-R1210 HydrophobicContact CH2-CG 3.84Å; W1002-R1210 HydrophobicContact CZ2-CG 4.23Å; W1002-R1210 HydrophobicContact CZ3-CB 4.11Å; W1002-R1210 HydrophobicContact CZ3-CG 3.93Å |
| 1003 | M | 73.8 | Confident | 67.2 | Low | 72 Ų | 72 | 82.4 Ų | 82.4 | 36% | 0.355 | 44% | 0.442 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -70.8 | -5.5 | 175.7 | -73.3 | -172.8 | -73.1 | 0 | 0 | 114.7 | C999 L1000 A1001 R1128 | C999-M1003 HydrophobicContact CB-CE 4.42Å; C999-M1003 WeakPolarHBondContact O-CE 3.32Å; C999-M1003 WeakPolarHBondContact O-CG 3.43Å; C999-M1003 PolarHBondContact O-N 3.08Å; L1000-M1003 HydrophobicContact CD2-CE 4.04Å; L1000-M1003 HydrophobicContact CG-CE 4.48Å; A1001-M1003 VanDerWaalsContact C-N 3.32Å; A1001-M1003 PolarHBondContact O-N 2.81Å; M1003-R1128 HydrophobicContact CE-CB 4.47Å; M1003-R1128 WeakPolarHBondContact CE-O 3.34Å; M1003-R1128 HydrophobicContact SD-CB 3.52Å; M1003-R1128 VanDerWaalsContact SD-CB 3.52Å |
| 1004 | R | 76.9 | Confident | 68.3 | Low | 196 Ų | 196 | 80.2 Ų | 80.2 | 74% | 0.74 | 42% | 0.422 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -99.7 | -9.8 | 175.9 | -71.8 | 170.6 | 176.8 | 136.2 | -3.9 | 114 | L1000 A1001 W1002 | L1000-R1004 WeakPolarHBondContact O-CG 3.34Å; A1001-R1004 WeakPolarHBondContact O-CB 3.49Å; A1001-R1004 PolarHBondContact O-N 3.18Å; W1002-R1004 PolarHBondContact O-N 3.12Å |
| 1005 | L | 79.9 | Confident | 68.5 | Low | 50 Ų | 50 | 78.1 Ų | 78.1 | 26% | 0.262 | 41% | 0.409 | S | S | . | . | S | Bend | trans | -82.5 | 147.9 | -177.9 | -54.2 | -178.4 | 0 | 0 | 0 | 111.1 | W1002 I1007 L1169 I1174 | W1002-L1005 PolarHBondContact O-N 3.3Å; L1005-I1007 PolarHBondContact O-N 3.2Å; L1005-L1169 HydrophobicContact CD1-CD1 3.39Å; L1005-I1174 HydrophobicContact CB-CD1 3.86Å; L1005-I1174 HydrophobicContact CB-CG1 3.9Å; L1005-I1174 HydrophobicContact CD1-CD1 4.06Å; L1005-I1174 HydrophobicContact CD1-CG1 3.92Å; L1005-I1174 HydrophobicContact CG-CD1 4.44Å |
| 1006 | S | 80.7 | Confident | 68.2 | Low | 80 Ų | 80 | 82.1 Ų | 82.1 | 56% | 0.559 | 43% | 0.429 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -72.4 | 124.8 | 175 | 47.5 | 0 | 0 | 0 | 0 | 110.8 | S1173 I1174 | S1006-S1173 WeakPolarHBondContact O-CA 3.34Å; S1006-I1174 PolarHBondContact O-N 2.87Å |
| 1007 | I | 83.9 | Confident | 67.3 | Low | 81 Ų | 81 | 82.1 Ų | 82.1 | 42% | 0.415 | 43% | 0.429 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.5 | 137.6 | 177.5 | -57.6 | 165.4 | 0 | 0 | 0 | 109.4 | L1005 I1174 A1176 | L1005-I1007 PolarHBondContact O-N 3.2Å; I1007-I1174 CarbonylContact C-O 3.57Å; I1007-I1174 WeakPolarHBondContact CA-O 2.77Å; I1007-I1174 HydrophobicContact CG1-CB 4.11Å; I1007-I1174 HydrophobicContact CG1-CD1 4.33Å; I1007-I1174 HydrophobicContact CG1-CG2 4.43Å; I1007-A1176 HydrophobicContact CG2-CB 3.67Å |
| 1008 | Y | 86.7 | Confident | 65.9 | Low | 84 Ų | 84 | 81.7 Ų | 81.7 | 33% | 0.329 | 42% | 0.418 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.3 | 138.4 | 167.9 | 53.3 | -82.7 | 0 | 0 | 0 | 110.7 | V1010 E1170 I1174 A1176 | Y1008-V1010 HydrophobicContact CD2-CG1 3.58Å; Y1008-V1010 HydrophobicContact CE2-CG1 3.65Å; Y1008-E1170 WeakPolarHBondContact OH-CB 3.47Å; Y1008-E1170 VanDerWaalsContact OH-CD 3.31Å; Y1008-E1170 PolarHBondContact OH-OE2 3.45Å; Y1008-I1174 VanDerWaalsContact CD1-O 3.3Å; Y1008-I1174 WeakPolarHBondContact CD1-O 3.48Å; Y1008-I1174 PolarHBondContact N-O 3.4Å; Y1008-A1176 PolarHBondContact O-N 3.07Å |
| 1009 | D | 83.1 | Confident | 64.2 | Low | 84 Ų | 84 | 84.2 Ų | 84.2 | 45% | 0.449 | 43% | 0.432 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.2 | 120.6 | 178.9 | -167.3 | -29.5 | 0 | 0 | 0 | 110.2 | T1011 A1176 | D1009-T1011 WeakPolarHBondContact OD1-CB 3.46Å; D1009-T1011 PolarHBondContact OD1-N 3.27Å; D1009-T1011 PolarHBondContact OD1-OG1 3.05Å; D1009-A1176 WeakPolarHBondContact CA-O 3.25Å |
| 1010 | V | 84.3 | Confident | 62.3 | Low | 26 Ų | 26 | 90.5 Ų | 90.5 | 16% | 0.158 | 47% | 0.465 | C | S | . | . | | | trans | -101.9 | -1.3 | 178.5 | -62.8 | 0 | 0 | 0 | 0 | 113.5 | Y1008 N1012 H1013 L1014 S1175 A1176 R1177 | Y1008-V1010 HydrophobicContact CD2-CG1 3.58Å; Y1008-V1010 HydrophobicContact CE2-CG1 3.65Å; V1010-N1012 VanDerWaalsContact C-N 3.28Å; V1010-N1012 PolarHBondContact O-N 2.89Å; V1010-H1013 PolarHBondContact O-N 2.95Å; V1010-L1014 HydrophobicContact CG2-CD1 4.43Å; V1010-L1014 PolarHBondContact O-N 3.43Å; V1010-S1175 WeakPolarHBondContact CG1-OG 3.44Å; V1010-S1175 WeakPolarHBondContact CG2-OG 3.19Å; V1010-A1176 WeakPolarHBondContact CG2-O 3.44Å; V1010-A1176 PolarHBondContact N-O 3.21Å; V1010-R1177 HydrophobicContact CG2-CB 4Å |
| 1011 | T | 76.4 | Confident | 60.6 | Low | 31 Ų | 31 | 89.6 Ų | 89.6 | 19% | 0.19 | 46% | 0.464 | C | S | . | . | H | α-helix | trans | -55.3 | -43 | -173.3 | -48.9 | 0 | 0 | 0 | 0 | 112.1 | D1009 H1013 K1178 | D1009-T1011 WeakPolarHBondContact OD1-CB 3.46Å; D1009-T1011 PolarHBondContact OD1-N 3.27Å; D1009-T1011 PolarHBondContact OD1-OG1 3.05Å; T1011-H1013 PolarHBondContact O-N 2.91Å; T1011-K1178 HydrophobicContact CG2-CB 3.85Å; T1011-K1178 WeakPolarHBondContact OG1-CB 3.39Å; T1011-K1178 PolarHBondContact OG1-N 2.76Å |
| 1012 | N | 55.2 | Low | 58.8 | Low | 127 Ų | 127 | 93 Ų | 93 | 68% | 0.679 | 49% | 0.485 | S | S | * | . | H | α-helix | trans | -74.3 | -22.1 | -177.7 | -65.1 | -26.3 | 0 | 0 | 0 | 113.7 | V1010 T1015 | V1010-N1012 VanDerWaalsContact C-N 3.28Å; V1010-N1012 PolarHBondContact O-N 2.89Å; N1012-T1015 PolarHBondContact O-OG1 3.44Å |
| 1013 | H | 50.6 | Low | 56.8 | Low | 142 Ų | 142 | 97.8 Ų | 97.8 | 66% | 0.657 | 51% | 0.508 | S | S | * | . | H | α-helix | trans | -77.9 | -38.9 | 176.6 | -79.3 | -67.9 | 0 | 0 | 0 | 111.4 | V1010 T1011 T1015 E1016 | V1010-H1013 PolarHBondContact O-N 2.95Å; T1011-H1013 PolarHBondContact O-N 2.91Å; H1013-T1015 PolarHBondContact O-N 3.47Å; H1013-E1016 PolarHBondContact O-N 2.96Å |
| 1014 | L | 49.6 | Very low | 55.4 | Low | 54 Ų | 54 | 97.5 Ų | 97.5 | 28% | 0.283 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -64.2 | -28.8 | 178.4 | -62.6 | 172.2 | 0 | 0 | 0 | 112.4 | V1010 E1016 D1017 M1018 R1177 | V1010-L1014 HydrophobicContact CG2-CD1 4.43Å; V1010-L1014 PolarHBondContact O-N 3.43Å; L1014-E1016 VanDerWaalsContact C-N 3.26Å; L1014-E1016 PolarHBondContact O-N 3.18Å; L1014-D1017 PolarHBondContact O-N 2.85Å; L1014-M1018 HydrophobicContact CB-CG 4.16Å; L1014-M1018 HydrophobicContact CD2-CE 4.05Å; L1014-M1018 WeakPolarHBondContact O-CB 3.4Å; L1014-M1018 WeakPolarHBondContact O-CG 3.32Å; L1014-M1018 PolarHBondContact O-N 3.34Å; L1014-R1177 HydrophobicContact CD1-CB 4.46Å; L1014-R1177 HydrophobicContact CD1-CG 3.76Å |
| 1015 | T | 41 | Very low | 54 | Low | 98 Ų | 98 | 96.3 Ų | 96.3 | 60% | 0.601 | 51% | 0.511 | S | S | * | . | H | α-helix | trans | -66.5 | -16.5 | -177.6 | 38.8 | 0 | 0 | 0 | 0 | 115.9 | N1012 H1013 | N1012-T1015 PolarHBondContact O-OG1 3.44Å; H1013-T1015 PolarHBondContact O-N 3.47Å |
| 1016 | E | 35.9 | Very low | 52.7 | Low | 168 Ų | 168 | 94.9 Ų | 94.9 | 79% | 0.785 | 50% | 0.503 | S | S | * | . | H | α-helix | trans | -95 | -36.6 | 172.8 | -60.3 | -158.2 | 142.1 | 0 | 0 | 112.2 | H1013 L1014 | H1013-E1016 PolarHBondContact O-N 2.96Å; L1014-E1016 VanDerWaalsContact C-N 3.26Å; L1014-E1016 PolarHBondContact O-N 3.18Å |
| 1017 | D | 33.2 | Very low | 51.4 | Low | 109 Ų | 109 | 94 Ų | 94 | 58% | 0.583 | 50% | 0.496 | S | S | * | . | H | α-helix | trans | -83.1 | -16.8 | -179.6 | -71.3 | -40 | 0 | 0 | 0 | 115 | L1014 N1019 N1020 S1021 | L1014-D1017 PolarHBondContact O-N 2.85Å; D1017-N1019 PolarHBondContact O-N 3.18Å; D1017-N1019 VanDerWaalsContact O-N 3.07Å; D1017-N1020 PolarHBondContact O-N 2.94Å; D1017-S1021 PolarHBondContact O-N 3.48Å; D1017-S1021 PolarHBondContact O-OG 2.84Å; D1017-S1021 VanDerWaalsContact O-OG 3.04Å |
| 1018 | M | 34.7 | Very low | 50.3 | Low | 75 Ų | 75 | 95 Ų | 95 | 37% | 0.369 | 50% | 0.502 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -68.3 | -2.5 | -178.4 | -81.5 | -74.1 | 142.2 | 0 | 0 | 115.4 | L1014 N1020 S1021 L1024 | L1014-M1018 HydrophobicContact CB-CG 4.16Å; L1014-M1018 HydrophobicContact CD2-CE 4.05Å; L1014-M1018 WeakPolarHBondContact O-CB 3.4Å; L1014-M1018 WeakPolarHBondContact O-CG 3.32Å; L1014-M1018 PolarHBondContact O-N 3.34Å; M1018-N1020 VanDerWaalsContact C-N 3.28Å; M1018-S1021 WeakPolarHBondContact CA-OG 3.49Å; M1018-S1021 VanDerWaalsContact CE-OG 3.29Å; M1018-S1021 WeakPolarHBondContact CE-OG 3.41Å; M1018-L1024 HydrophobicContact CE-CB 4.49Å; M1018-L1024 HydrophobicContact CE-CD1 3.51Å; M1018-L1024 HydrophobicContact CE-CG 3.97Å; M1018-L1024 HydrophobicContact SD-CD1 4.26Å |
| 1019 | N | 31.7 | Very low | 49.1 | Very low | 145 Ų | 145 | 91.6 Ų | 91.6 | 78% | 0.775 | 49% | 0.489 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -77 | -12.5 | 166.1 | -71.3 | -61.8 | 0 | 0 | 0 | 113.3 | D1017 | D1017-N1019 PolarHBondContact O-N 3.18Å; D1017-N1019 VanDerWaalsContact O-N 3.07Å |
| 1020 | N | 27.3 | Very low | 48 | Very low | 142 Ų | 142 | 93.1 Ų | 93.1 | 76% | 0.759 | 50% | 0.498 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -123.4 | -10.4 | -177 | -69.2 | -44.5 | 0 | 0 | 0 | 114.6 | D1017 M1018 | D1017-N1020 PolarHBondContact O-N 2.94Å; M1018-N1020 VanDerWaalsContact C-N 3.28Å |
| 1021 | S | 31.1 | Very low | 47.2 | Very low | 44 Ų | 44 | 97 Ų | 97 | 31% | 0.308 | 52% | 0.521 | S | S | . | . | | | trans | -102.7 | 77.4 | -173.9 | 35.3 | 0 | 0 | 0 | 0 | 112.5 | D1017 M1018 E1023 | D1017-S1021 PolarHBondContact O-N 3.48Å; D1017-S1021 PolarHBondContact O-OG 2.84Å; D1017-S1021 VanDerWaalsContact O-OG 3.04Å; M1018-S1021 WeakPolarHBondContact CA-OG 3.49Å; M1018-S1021 VanDerWaalsContact CE-OG 3.29Å; M1018-S1021 WeakPolarHBondContact CE-OG 3.41Å; S1021-E1023 PolarHBondContact O-N 3.42Å |
| 1022 | S | 36.7 | Very low | 46.8 | Very low | 116 Ų | 116 | 97.1 Ų | 97.1 | 81% | 0.811 | 52% | 0.52 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65 | 25.2 | -179.6 | -46.8 | 0 | 0 | 0 | 0 | 115.9 | | |
| 1023 | E | 40.6 | Very low | 47.8 | Very low | 130 Ų | 130 | 94.8 Ų | 94.8 | 61% | 0.607 | 51% | 0.514 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -116 | -13.7 | -165.2 | -168.4 | 161.6 | -142 | 0 | 0 | 114 | S1021 N1191 R1194 | S1021-E1023 PolarHBondContact O-N 3.42Å; E1023-N1191 PolarHBondContact O-ND2 3.49Å; E1023-R1194 PolarHBondContact O-NH2 3.31Å |
| 1024 | L | 43.1 | Very low | 49.3 | Very low | 66 Ų | 66 | 92.4 Ų | 92.4 | 35% | 0.346 | 50% | 0.499 | S | S | . | . | S | Bend | trans | -95.1 | -21.4 | 170.9 | -68 | -169.9 | 0 | 0 | 0 | 114.2 | M1018 L1026 | M1018-L1024 HydrophobicContact CE-CB 4.49Å; M1018-L1024 HydrophobicContact CE-CD1 3.51Å; M1018-L1024 HydrophobicContact CE-CG 3.97Å; M1018-L1024 HydrophobicContact SD-CD1 4.26Å; L1024-L1026 PolarHBondContact O-N 2.9Å |
| 1025 | Q | 47.4 | Very low | 50.9 | Low | 170 Ų | 170 | 94.4 Ų | 94.4 | 79% | 0.794 | 52% | 0.516 | S | S | * | . | S | Bend | trans | -76.5 | 105 | 171.5 | -72.7 | -175.1 | -8.5 | 0 | 0 | 109.3 | | |
| 1026 | L | 54.4 | Low | 53.1 | Low | 20 Ų | 20 | 91.6 Ų | 91.6 | 11% | 0.105 | 50% | 0.5 | C | S | . | . | P | Polyproline II helix | trans | -58.9 | 129.9 | 162.7 | -142.6 | 79.8 | 0 | 0 | 0 | 107.2 | L1024 N1028 L1029 W1040 L1187 L1190 N1191 R1194 | L1024-L1026 PolarHBondContact O-N 2.9Å; L1026-N1028 PolarHBondContact O-N 2.82Å; L1026-L1029 HydrophobicContact CD2-CD1 4.44Å; L1026-W1040 HydrophobicContact CD2-CZ3 4.26Å; L1026-L1187 HydrophobicContact CB-CD2 4.39Å; L1026-L1187 HydrophobicContact CB-CG 4.28Å; L1026-L1187 HydrophobicContact CD2-CD1 3.5Å; L1026-L1187 VanDerWaalsContact CD2-CD1 3.5Å; L1026-L1187 HydrophobicContact CD2-CG 3.92Å; L1026-L1190 HydrophobicContact CD2-CB 4.22Å; L1026-N1191 HydrophobicContact CD1-CB 3.84Å; L1026-N1191 WeakPolarHBondContact CD1-OD1 3.34Å; L1026-R1194 HydrophobicContact CD1-CB 4.33Å |
| 1027 | P | 52.9 | Low | 55.5 | Low | 63 Ų | 63 | 83.6 Ų | 83.6 | 41% | 0.409 | 46% | 0.462 | S | S | . | . | P | Polyproline II helix | trans | -55.7 | 143.6 | 168.4 | 24.5 | -33.3 | 0 | 0 | 0 | 108.5 | L1029 L1032 | P1027-L1029 PolarHBondContact O-N 3.27Å; P1027-L1032 HydrophobicContact CG-CD1 4.1Å; P1027-L1032 HydrophobicContact CG-CD2 4.02Å; P1027-L1032 HydrophobicContact CG-CG 4.05Å |
| 1028 | N | 59.8 | Low | 58.1 | Low | 101 Ų | 101 | 81.8 Ų | 81.8 | 54% | 0.54 | 45% | 0.45 | S | S | . | . | P | Polyproline II helix | trans | -51 | 133.4 | -174.1 | -174.5 | 31.3 | 0 | 0 | 0 | 110.1 | L1026 D1030 T1031 | L1026-N1028 PolarHBondContact O-N 2.82Å; N1028-D1030 PolarHBondContact ND2-OD2 3.16Å; N1028-D1030 PolarHBondContact O-N 2.94Å; N1028-T1031 PolarHBondContact O-N 2.87Å; N1028-T1031 PolarHBondContact O-OG1 3.26Å |
| 1029 | L | 61.9 | Low | 60.8 | Low | 13 Ų | 13 | 83.2 Ų | 83.2 | 7% | 0.068 | 46% | 0.456 | C | S | . | . | G | 310 helix | trans | -60.2 | -28.2 | -165.6 | -160.9 | 67.9 | 0 | 0 | 0 | 112 | L1026 P1027 T1031 L1032 V1037 C1060 L1062 | L1026-L1029 HydrophobicContact CD2-CD1 4.44Å; P1027-L1029 PolarHBondContact O-N 3.27Å; L1029-T1031 VanDerWaalsContact C-N 3.27Å; L1029-T1031 PolarHBondContact O-N 3.24Å; L1029-L1032 HydrophobicContact CD1-CD1 4.05Å; L1029-L1032 PolarHBondContact O-N 3.35Å; L1029-V1037 HydrophobicContact CD1-CG1 4.44Å; L1029-V1037 HydrophobicContact CD1-CG2 4.33Å; L1029-C1060 VanDerWaalsContact CD2-O 3.32Å; L1029-C1060 WeakPolarHBondContact CD2-O 3.44Å; L1029-L1062 HydrophobicContact CD2-CD1 4.08Å; L1029-L1062 HydrophobicContact CD2-CG 4.28Å |
| 1030 | D | 60.6 | Low | 63.6 | Low | 116 Ų | 116 | 77.5 Ų | 77.5 | 62% | 0.62 | 42% | 0.423 | S | S | * | . | G | 310 helix | trans | -65.2 | -19.3 | 175.6 | -40.8 | -31.1 | 0 | 0 | 0 | 114.4 | N1028 | N1028-D1030 PolarHBondContact ND2-OD2 3.16Å; N1028-D1030 PolarHBondContact O-N 2.94Å |
| 1031 | T | 66.1 | Low | 66.6 | Low | 106 Ų | 106 | 71 Ų | 71 | 65% | 0.65 | 39% | 0.389 | S | S | * | . | G | 310 helix | trans | -101.2 | -6 | 179.5 | 70.5 | 0 | 0 | 0 | 0 | 113.7 | N1028 L1029 | N1028-T1031 PolarHBondContact O-N 2.87Å; N1028-T1031 PolarHBondContact O-OG1 3.26Å; L1029-T1031 VanDerWaalsContact C-N 3.27Å; L1029-T1031 PolarHBondContact O-N 3.24Å |
| 1032 | L | 69.4 | Low | 69.5 | Low | 34 Ų | 34 | 73.2 Ų | 73.2 | 18% | 0.178 | 40% | 0.397 | C | S | . | . | S | Bend | trans | -81.9 | 142 | 174 | -78.1 | 160.2 | 0 | 0 | 0 | 110.7 | P1027 L1029 R1034 V1037 W1040 | P1027-L1032 HydrophobicContact CG-CD1 4.1Å; P1027-L1032 HydrophobicContact CG-CD2 4.02Å; P1027-L1032 HydrophobicContact CG-CG 4.05Å; L1029-L1032 HydrophobicContact CD1-CD1 4.05Å; L1029-L1032 PolarHBondContact O-N 3.35Å; L1032-R1034 PolarHBondContact O-N 3.35Å; L1032-V1037 HydrophobicContact CB-CG2 3.84Å; L1032-W1040 HydrophobicContact CD1-CH2 3.62Å; L1032-W1040 HydrophobicContact CD1-CZ3 3.5Å; L1032-W1040 VanDerWaalsContact CD1-CZ3 3.5Å; L1032-W1040 HydrophobicContact CD2-CH2 3.75Å; L1032-W1040 HydrophobicContact CD2-CZ2 4.42Å; L1032-W1040 HydrophobicContact CD2-CZ3 4.43Å; L1032-W1040 HydrophobicContact CG-CH2 4.35Å |
| 1033 | S | 76.9 | Confident | 72.2 | Confident | 78 Ų | 78 | 68.3 Ų | 68.3 | 55% | 0.545 | 36% | 0.362 | S | S | . | . | | | trans | -66.8 | 131.3 | 177.4 | 67.7 | 0 | 0 | 0 | 0 | 110.4 | P1035 C1036 V1037 | S1033-P1035 VanDerWaalsContact C-CD 3.43Å; S1033-P1035 VanDerWaalsContact C-N 3.3Å; S1033-C1036 WeakPolarHBondContact O-CA 3.4Å; S1033-C1036 VanDerWaalsContact O-CB 3.26Å; S1033-C1036 WeakPolarHBondContact O-CB 3.35Å; S1033-C1036 PolarHBondContact O-N 2.91Å; S1033-C1036 WeakPolarHBondContact OG-CB 3.46Å; S1033-V1037 PolarHBondContact O-N 3.31Å |
| 1034 | R | 80.1 | Confident | 74.7 | Confident | 92 Ų | 92 | 62.2 Ų | 62.2 | 35% | 0.347 | 33% | 0.333 | S | S | . | . | H | α-helix | trans | -51.3 | -39.9 | -177.6 | -172.3 | 162.4 | 175.2 | 178.7 | -9.2 | 113.5 | L1032 C1036 V1037 H1038 D1058 | L1032-R1034 PolarHBondContact O-N 3.35Å; R1034-C1036 VanDerWaalsContact C-N 3.32Å; R1034-C1036 PolarHBondContact O-N 3.09Å; R1034-V1037 PolarHBondContact O-N 3.17Å; R1034-H1038 PolarHBondContact O-CD2 2.85Å; R1034-H1038 VanDerWaalsContact O-CD2 3.3Å; R1034-H1038 PolarHBondContact O-N 2.99Å; R1034-D1058 IonicContact CZ-OD1 3.23Å; R1034-D1058 VanDerWaalsContact CZ-OD1 3.23Å; R1034-D1058 PolarHBondContact NH1-O 2.93Å; R1034-D1058 IonicContact NH1-OD1 2.79Å; R1034-D1058 PolarHBondContact NH1-OD1 2.93Å; R1034-D1058 IonicContact NH2-OD1 2.72Å; R1034-D1058 PolarHBondContact NH2-OD1 3.45Å |
| 1035 | P | 84.7 | Confident | 77.1 | Confident | 97 Ų | 97 | 60.6 Ų | 60.6 | 63% | 0.63 | 33% | 0.325 | S | S | * | . | H | α-helix | trans | -60.1 | -34.8 | 173.2 | -25.5 | 36.1 | 0 | 0 | 0 | 114.7 | S1033 H1038 H1039 | S1033-P1035 VanDerWaalsContact C-CD 3.43Å; S1033-P1035 VanDerWaalsContact C-N 3.3Å; P1035-H1038 PolarHBondContact O-N 3.06Å; P1035-H1039 PolarHBondContact O-N 3.11Å |
| 1036 | C | 85.7 | Confident | 79.1 | Confident | 39 Ų | 39 | 55.2 Ų | 55.2 | 26% | 0.264 | 31% | 0.306 | S | S | . | . | H | α-helix | trans | -67.6 | -42.9 | 175.9 | -169.7 | 0 | 0 | 0 | 0 | 111.1 | S1033 R1034 H1039 W1040 | S1033-C1036 WeakPolarHBondContact O-CA 3.4Å; S1033-C1036 VanDerWaalsContact O-CB 3.26Å; S1033-C1036 WeakPolarHBondContact O-CB 3.35Å; S1033-C1036 PolarHBondContact O-N 2.91Å; S1033-C1036 WeakPolarHBondContact OG-CB 3.46Å; R1034-C1036 VanDerWaalsContact C-N 3.32Å; R1034-C1036 PolarHBondContact O-N 3.09Å; C1036-H1039 PolarHBondContact O-N 2.88Å; C1036-W1040 PolarHBondContact O-N 2.88Å |
| 1037 | V | 86.9 | Confident | 80.8 | Confident | 0 Ų | 0 | 54.7 Ų | 54.7 | 0% | 0 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -64.6 | -40.9 | 176 | -173.8 | 0 | 0 | 0 | 0 | 111.2 | L1029 L1032 S1033 R1034 W1040 V1041 F1055 L1062 | L1029-V1037 HydrophobicContact CD1-CG1 4.44Å; L1029-V1037 HydrophobicContact CD1-CG2 4.33Å; L1032-V1037 HydrophobicContact CB-CG2 3.84Å; S1033-V1037 PolarHBondContact O-N 3.31Å; R1034-V1037 PolarHBondContact O-N 3.17Å; V1037-W1040 PolarHBondContact O-N 2.81Å; V1037-V1041 VanDerWaalsContact O-CG2 3.32Å; V1037-V1041 WeakPolarHBondContact O-CG2 3.32Å; V1037-V1041 PolarHBondContact O-N 3.16Å; V1037-F1055 HydrophobicContact CG1-CE1 3.87Å; V1037-F1055 HydrophobicContact CG1-CZ 4.04Å; V1037-L1062 HydrophobicContact CG1-CD1 3.87Å; V1037-L1062 HydrophobicContact CG1-CD2 4.45Å; V1037-L1062 HydrophobicContact CG1-CG 4.45Å |
| 1038 | H | 89 | Confident | 82.4 | Confident | 70 Ų | 70 | 56.6 Ų | 56.6 | 32% | 0.324 | 32% | 0.316 | S | S | . | . | H | α-helix | trans | -58.8 | -46.3 | 171.8 | -88.1 | -97.2 | 0 | 0 | 0 | 111.8 | R1034 P1035 W1040 V1041 D1042 F1055 | R1034-H1038 PolarHBondContact O-CD2 2.85Å; R1034-H1038 VanDerWaalsContact O-CD2 3.3Å; R1034-H1038 PolarHBondContact O-N 2.99Å; P1035-H1038 PolarHBondContact O-N 3.06Å; H1038-W1040 VanDerWaalsContact C-N 3.33Å; H1038-W1040 PolarHBondContact O-N 2.84Å; H1038-V1041 CarbonylContact O-C 3.57Å; H1038-V1041 WeakPolarHBondContact O-CA 3.31Å; H1038-V1041 WeakPolarHBondContact O-CB 3.47Å; H1038-V1041 PolarHBondContact O-N 3.24Å; H1038-D1042 PolarHBondContact O-N 3.31Å; H1038-F1055 HydrophobicContact CB-CZ 4.41Å; H1038-F1055 AromaticContact CD2-CE2 3.79Å; H1038-F1055 AromaticContact CD2-CZ 3.43Å; H1038-F1055 VanDerWaalsContact CD2-CZ 3.43Å; H1038-F1055 WeakPolarHBondContact CD2-CZ 3.24Å; H1038-F1055 AromaticContact CE1-CD2 3.96Å; H1038-F1055 AromaticContact CE1-CE2 3.45Å; H1038-F1055 VanDerWaalsContact CE1-CE2 3.45Å; H1038-F1055 WeakPolarHBondContact CE1-CE2 3.29Å; H1038-F1055 AromaticContact CE1-CZ 3.9Å; H1038-F1055 AromaticContact CG-CE2 3.76Å; H1038-F1055 AromaticContact CG-CZ 3.69Å; H1038-F1055 AromaticContact ND1-CE2 3.54Å; H1038-F1055 AromaticContact ND1-CZ 3.97Å; H1038-F1055 AromaticContact NE2-CE2 3.63Å; H1038-F1055 AromaticContact NE2-CZ 3.61Å |
| 1039 | H | 89.5 | Confident | 83.6 | Confident | 106 Ų | 106 | 55.4 Ų | 55.4 | 49% | 0.491 | 31% | 0.309 | S | S | . | . | H | α-helix | trans | -60.6 | -39.1 | 177.8 | -178.4 | 51.7 | 0 | 0 | 0 | 113 | P1035 C1036 D1042 I1043 | P1035-H1039 PolarHBondContact O-N 3.11Å; C1036-H1039 PolarHBondContact O-N 2.88Å; H1039-D1042 PolarHBondContact O-N 2.8Å; H1039-I1043 WeakPolarHBondContact O-CG1 3.24Å; H1039-I1043 PolarHBondContact O-N 3.38Å |
| 1040 | W | 90.6 | Very high | 84.6 | Confident | 24 Ų | 24 | 57.5 Ų | 57.5 | 9% | 0.091 | 33% | 0.333 | C | S | . | . | H | α-helix | trans | -66.4 | -37.7 | 172.8 | -64 | -9 | 0 | 0 | 0 | 112.4 | L1026 L1032 C1036 V1037 H1038 D1042 I1043 F1044 L1190 V1193 R1194 | L1026-W1040 HydrophobicContact CD2-CZ3 4.26Å; L1032-W1040 HydrophobicContact CD1-CH2 3.62Å; L1032-W1040 HydrophobicContact CD1-CZ3 3.5Å; L1032-W1040 VanDerWaalsContact CD1-CZ3 3.5Å; L1032-W1040 HydrophobicContact CD2-CH2 3.75Å; L1032-W1040 HydrophobicContact CD2-CZ2 4.42Å; L1032-W1040 HydrophobicContact CD2-CZ3 4.43Å; L1032-W1040 HydrophobicContact CG-CH2 4.35Å; C1036-W1040 PolarHBondContact O-N 2.88Å; V1037-W1040 PolarHBondContact O-N 2.81Å; H1038-W1040 VanDerWaalsContact C-N 3.33Å; H1038-W1040 PolarHBondContact O-N 2.84Å; W1040-D1042 VanDerWaalsContact C-N 3.32Å; W1040-D1042 PolarHBondContact O-N 2.75Å; W1040-I1043 PolarHBondContact O-N 2.88Å; W1040-F1044 WeakPolarHBondContact O-CB 3.28Å; W1040-F1044 PolarHBondContact O-N 3.02Å; W1040-L1190 HydrophobicContact CB-CD2 4.34Å; W1040-L1190 HydrophobicContact CE3-CD2 4.33Å; W1040-V1193 HydrophobicContact CB-CG1 3.68Å; W1040-V1193 HydrophobicContact CG-CG1 3.98Å; W1040-R1194 HydrophobicContact CH2-CB 4.16Å; W1040-R1194 HydrophobicContact CH2-CG 3.85Å; W1040-R1194 HydrophobicContact CZ2-CB 3.98Å; W1040-R1194 HydrophobicContact CZ2-CG 3.59Å |
| 1041 | V | 92.2 | Very high | 86.1 | Confident | 6 Ų | 6 | 52.2 Ų | 52.2 | 4% | 0.036 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -62.4 | -39.2 | 173.2 | 167.2 | 0 | 0 | 0 | 0 | 111.3 | V1037 H1038 F1044 N1045 L1053 F1055 L1062 | V1037-V1041 VanDerWaalsContact O-CG2 3.32Å; V1037-V1041 WeakPolarHBondContact O-CG2 3.32Å; V1037-V1041 PolarHBondContact O-N 3.16Å; H1038-V1041 CarbonylContact O-C 3.57Å; H1038-V1041 WeakPolarHBondContact O-CA 3.31Å; H1038-V1041 WeakPolarHBondContact O-CB 3.47Å; H1038-V1041 PolarHBondContact O-N 3.24Å; V1041-F1044 PolarHBondContact O-N 2.92Å; V1041-N1045 VanDerWaalsContact CG1-ND2 3.31Å; V1041-N1045 WeakPolarHBondContact CG1-ND2 3.37Å; V1041-N1045 VanDerWaalsContact O-CB 3.23Å; V1041-N1045 WeakPolarHBondContact O-CB 3.5Å; V1041-N1045 PolarHBondContact O-N 3.06Å; V1041-N1045 PolarHBondContact O-ND2 3.4Å; V1041-L1053 VanDerWaalsContact CG1-O 3.29Å; V1041-L1053 WeakPolarHBondContact CG1-O 3.04Å; V1041-L1053 HydrophobicContact CG2-CD2 3.96Å; V1041-L1053 HydrophobicContact CG2-CG 4.11Å; V1041-F1055 HydrophobicContact CB-CE2 4.17Å; V1041-F1055 HydrophobicContact CB-CZ 4.46Å; V1041-F1055 HydrophobicContact CG1-CE2 4.12Å; V1041-F1055 HydrophobicContact CG2-CE2 3.9Å; V1041-F1055 HydrophobicContact CG2-CZ 3.88Å; V1041-L1062 HydrophobicContact CG2-CD1 4.23Å; V1041-L1062 HydrophobicContact CG2-CD2 3.6Å |
| 1042 | D | 92.2 | Very high | 87.4 | Confident | 91 Ų | 91 | 53.3 Ų | 53.3 | 49% | 0.487 | 30% | 0.298 | S | S | . | . | H | α-helix | trans | -68.3 | -43.8 | 176.8 | -64.5 | -32.6 | 0 | 0 | 0 | 112.3 | H1038 H1039 W1040 F1044 N1045 S1046 | H1038-D1042 PolarHBondContact O-N 3.31Å; H1039-D1042 PolarHBondContact O-N 2.8Å; W1040-D1042 VanDerWaalsContact C-N 3.32Å; W1040-D1042 PolarHBondContact O-N 2.75Å; D1042-F1044 VanDerWaalsContact C-N 3.33Å; D1042-F1044 PolarHBondContact O-N 3.35Å; D1042-N1045 PolarHBondContact O-N 3.27Å; D1042-S1046 WeakPolarHBondContact O-CB 3.44Å; D1042-S1046 PolarHBondContact O-N 3.48Å; D1042-S1046 VanDerWaalsContact O-N 3.09Å; D1042-S1046 PolarHBondContact O-OG 3.48Å |
| 1043 | I | 92.1 | Very high | 88.6 | Confident | 13 Ų | 13 | 51.7 Ų | 51.7 | 7% | 0.067 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -59 | -46.6 | 172.8 | -68.6 | 168.9 | 0 | 0 | 0 | 110.1 | H1039 W1040 S1046 V1193 F1202 | H1039-I1043 WeakPolarHBondContact O-CG1 3.24Å; H1039-I1043 PolarHBondContact O-N 3.38Å; W1040-I1043 PolarHBondContact O-N 2.88Å; I1043-S1046 PolarHBondContact O-N 3.43Å; I1043-V1193 HydrophobicContact CB-CG1 3.99Å; I1043-V1193 HydrophobicContact CG2-CG1 3.9Å; I1043-F1202 HydrophobicContact CG2-CB 3.96Å; I1043-F1202 HydrophobicContact CG2-CD1 4.16Å; I1043-F1202 HydrophobicContact CG2-CG 4.15Å |
| 1044 | F | 93.3 | Very high | 89.3 | Confident | 1 Ų | 1 | 51.9 Ų | 51.9 | 0% | 0.004 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -58.9 | -52.2 | 177.1 | -172.4 | -77 | 0 | 0 | 0 | 111.2 | W1040 V1041 D1042 S1046 N1047 L1051 L1053 L1189 V1193 F1202 | W1040-F1044 WeakPolarHBondContact O-CB 3.28Å; W1040-F1044 PolarHBondContact O-N 3.02Å; V1041-F1044 PolarHBondContact O-N 2.92Å; D1042-F1044 VanDerWaalsContact C-N 3.33Å; D1042-F1044 PolarHBondContact O-N 3.35Å; F1044-S1046 PolarHBondContact O-N 3.24Å; F1044-S1046 VanDerWaalsContact O-N 3.1Å; F1044-N1047 PolarHBondContact O-N 3.25Å; F1044-N1047 PolarHBondContact O-ND2 2.71Å; F1044-L1051 HydrophobicContact CE1-CB 3.8Å; F1044-L1051 HydrophobicContact CZ-CB 4.05Å; F1044-L1053 HydrophobicContact CB-CB 4.38Å; F1044-L1053 HydrophobicContact CB-CD2 4.09Å; F1044-L1053 HydrophobicContact CD1-CB 3.4Å; F1044-L1053 HydrophobicContact CD1-CD2 4.28Å; F1044-L1053 HydrophobicContact CD1-CG 4.47Å; F1044-L1053 HydrophobicContact CD2-CD2 4.03Å; F1044-L1053 HydrophobicContact CE1-CB 3.72Å; F1044-L1053 HydrophobicContact CG-CB 3.87Å; F1044-L1053 HydrophobicContact CG-CD2 3.88Å; F1044-L1053 HydrophobicContact CZ-CB 4.41Å; F1044-L1189 HydrophobicContact CE2-CB 4.19Å; F1044-L1189 HydrophobicContact CE2-CD2 3.92Å; F1044-L1189 HydrophobicContact CZ-CD2 4.31Å; F1044-V1193 HydrophobicContact CB-CG2 4.19Å; F1044-V1193 HydrophobicContact CD2-CG2 4.04Å; F1044-F1202 HydrophobicContact CD2-CE1 4.37Å; F1044-F1202 AromaticContact CD2-CZ 3.82Å; F1044-F1202 HydrophobicContact CD2-CZ 3.82Å; F1044-F1202 HydrophobicContact CE2-CZ 4.29Å; F1044-F1202 HydrophobicContact CG-CZ 4.39Å |
| 1045 | N | 93.5 | Very high | 89.8 | Confident | 32 Ų | 32 | 49.9 Ų | 49.9 | 17% | 0.171 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -66.4 | -9.4 | -177.9 | -80.9 | -36.8 | 0 | 0 | 0 | 114.1 | V1041 D1042 N1047 R1052 L1053 | V1041-N1045 VanDerWaalsContact CG1-ND2 3.31Å; V1041-N1045 WeakPolarHBondContact CG1-ND2 3.37Å; V1041-N1045 VanDerWaalsContact O-CB 3.23Å; V1041-N1045 WeakPolarHBondContact O-CB 3.5Å; V1041-N1045 PolarHBondContact O-N 3.06Å; V1041-N1045 PolarHBondContact O-ND2 3.4Å; D1042-N1045 PolarHBondContact O-N 3.27Å; N1045-N1047 VanDerWaalsContact C-N 3.28Å; N1045-N1047 PolarHBondContact O-N 3.45Å; N1045-R1052 PolarHBondContact O-NH1 2.81Å; N1045-R1052 VanDerWaalsContact OD1-CA 3.31Å; N1045-R1052 WeakPolarHBondContact OD1-CA 3.42Å; N1045-R1052 WeakPolarHBondContact OD1-CD 3.5Å; N1045-L1053 PolarHBondContact ND2-O 3.34Å; N1045-L1053 PolarHBondContact OD1-N 3.38Å; N1045-L1053 PolarHBondContact OD1-O 2.6Å |
| 1046 | S | 89.9 | Confident | 89.9 | Confident | 57 Ų | 57 | 48.8 Ų | 48.8 | 40% | 0.399 | 27% | 0.269 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -85.9 | 9.8 | 177.6 | -61.5 | 0 | 0 | 0 | 0 | 114.1 | D1042 I1043 F1044 | D1042-S1046 WeakPolarHBondContact O-CB 3.44Å; D1042-S1046 PolarHBondContact O-N 3.48Å; D1042-S1046 VanDerWaalsContact O-N 3.09Å; D1042-S1046 PolarHBondContact O-OG 3.48Å; I1043-S1046 PolarHBondContact O-N 3.43Å; F1044-S1046 PolarHBondContact O-N 3.24Å; F1044-S1046 VanDerWaalsContact O-N 3.1Å |
| 1047 | N | 89.4 | Confident | 89.8 | Confident | 9 Ų | 9 | 49.4 Ų | 49.4 | 5% | 0.048 | 27% | 0.27 | C | S | . | . | | | trans | -81.8 | 147.2 | 177.1 | 81.1 | 91.9 | 0 | 0 | 0 | 113.2 | F1044 N1045 L1049 G1050 L1051 F1202 L1203 L1206 | F1044-N1047 PolarHBondContact O-N 3.25Å; F1044-N1047 PolarHBondContact O-ND2 2.71Å; N1045-N1047 VanDerWaalsContact C-N 3.28Å; N1045-N1047 PolarHBondContact O-N 3.45Å; N1047-L1049 WeakPolarHBondContact OD1-CA 3.48Å; N1047-L1049 WeakPolarHBondContact OD1-CB 3.49Å; N1047-L1049 PolarHBondContact OD1-N 2.93Å; N1047-G1050 PolarHBondContact OD1-N 3.45Å; N1047-L1051 PolarHBondContact ND2-O 3.26Å; N1047-L1051 PolarHBondContact OD1-N 3.24Å; N1047-L1051 VanDerWaalsContact OD1-N 3.15Å; N1047-F1202 HydrophobicContact CB-CE1 4.48Å; N1047-L1203 HydrophobicContact CB-CD2 4.01Å; N1047-L1206 HydrophobicContact CB-CD1 4.18Å |
| 1048 | P | 86.4 | Confident | 89.2 | Confident | 103 Ų | 103 | 55.3 Ų | 55.3 | 67% | 0.669 | 30% | 0.301 | S | S | * | . | S | Bend | trans | -85.6 | -4.3 | 176.5 | 36.2 | -36 | 0 | 0 | 0 | 113.5 | G1050 L1203 | P1048-G1050 PolarHBondContact O-N 3.41Å; P1048-L1203 HydrophobicContact CG-CD2 4.28Å |
| 1049 | L | 84.9 | Confident | 88.3 | Confident | 77 Ų | 77 | 55.3 Ų | 55.3 | 40% | 0.403 | 31% | 0.309 | S | S | . | . | S | Bend | trans | -81.1 | 8.6 | -174.4 | -54.1 | -178.7 | 0 | 0 | 0 | 113.5 | N1047 L1051 L1206 | N1047-L1049 WeakPolarHBondContact OD1-CA 3.48Å; N1047-L1049 WeakPolarHBondContact OD1-CB 3.49Å; N1047-L1049 PolarHBondContact OD1-N 2.93Å; L1049-L1051 VanDerWaalsContact C-N 3.25Å; L1049-L1051 HydrophobicContact CB-CG 4.34Å; L1049-L1051 PolarHBondContact O-N 2.83Å; L1049-L1206 HydrophobicContact CD1-CB 4.39Å; L1049-L1206 HydrophobicContact CD1-CD1 4.29Å |
| 1050 | G | 84.4 | Confident | 87.4 | Confident | 56 Ų | 56 | 51 Ų | 51 | 58% | 0.577 | 29% | 0.291 | S | S | * | . | | | trans | 74.8 | 6.6 | -177.9 | 0 | 0 | 0 | 0 | 0 | 114.6 | N1047 P1048 | N1047-G1050 PolarHBondContact OD1-N 3.45Å; P1048-G1050 PolarHBondContact O-N 3.41Å |
| 1051 | L | 91.6 | Very high | 87 | Confident | 6 Ų | 6 | 54.2 Ų | 54.2 | 3% | 0.031 | 30% | 0.303 | C | S | . | . | | | trans | -75.3 | 135.8 | -179.2 | -53.5 | 177.6 | 0 | 0 | 0 | 110.3 | F1044 N1047 L1049 T1065 R1067 V1133 | F1044-L1051 HydrophobicContact CE1-CB 3.8Å; F1044-L1051 HydrophobicContact CZ-CB 4.05Å; N1047-L1051 PolarHBondContact ND2-O 3.26Å; N1047-L1051 PolarHBondContact OD1-N 3.24Å; N1047-L1051 VanDerWaalsContact OD1-N 3.15Å; L1049-L1051 VanDerWaalsContact C-N 3.25Å; L1049-L1051 HydrophobicContact CB-CG 4.34Å; L1049-L1051 PolarHBondContact O-N 2.83Å; L1051-T1065 VanDerWaalsContact CA-OG1 3.25Å; L1051-T1065 WeakPolarHBondContact CA-OG1 3.38Å; L1051-R1067 HydrophobicContact CD2-CB 4.2Å; L1051-V1133 HydrophobicContact CD2-CG1 4.45Å |
| 1052 | R | 92.8 | Very high | 86.9 | Confident | 129 Ų | 129 | 54 Ų | 54 | 49% | 0.487 | 30% | 0.302 | S | S | . | . | | | trans | -126 | 147.8 | 177.6 | -65.8 | -65.3 | 176.7 | -162.2 | -8.9 | 112 | N1045 G1064 T1065 | N1045-R1052 PolarHBondContact O-NH1 2.81Å; N1045-R1052 VanDerWaalsContact OD1-CA 3.31Å; N1045-R1052 WeakPolarHBondContact OD1-CA 3.42Å; N1045-R1052 WeakPolarHBondContact OD1-CD 3.5Å; R1052-G1064 CarbonylContact O-C 3.56Å; R1052-G1064 WeakPolarHBondContact O-CA 3.42Å; R1052-T1065 PolarHBondContact N-OG1 3.46Å; R1052-T1065 PolarHBondContact O-N 2.97Å; R1052-T1065 PolarHBondContact O-OG1 3.4Å |
| 1053 | L | 93.9 | Very high | 87 | Confident | 0 Ų | 0 | 49.7 Ų | 49.7 | 0% | 0 | 28% | 0.279 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.7 | 125.2 | 176.4 | -174 | 62.3 | 0 | 0 | 0 | 108.6 | V1041 F1044 N1045 L1062 L1186 L1190 | V1041-L1053 VanDerWaalsContact CG1-O 3.29Å; V1041-L1053 WeakPolarHBondContact CG1-O 3.04Å; V1041-L1053 HydrophobicContact CG2-CD2 3.96Å; V1041-L1053 HydrophobicContact CG2-CG 4.11Å; F1044-L1053 HydrophobicContact CB-CB 4.38Å; F1044-L1053 HydrophobicContact CB-CD2 4.09Å; F1044-L1053 HydrophobicContact CD1-CB 3.4Å; F1044-L1053 HydrophobicContact CD1-CD2 4.28Å; F1044-L1053 HydrophobicContact CD1-CG 4.47Å; F1044-L1053 HydrophobicContact CD2-CD2 4.03Å; F1044-L1053 HydrophobicContact CE1-CB 3.72Å; F1044-L1053 HydrophobicContact CG-CB 3.87Å; F1044-L1053 HydrophobicContact CG-CD2 3.88Å; F1044-L1053 HydrophobicContact CZ-CB 4.41Å; N1045-L1053 PolarHBondContact ND2-O 3.34Å; N1045-L1053 PolarHBondContact OD1-N 3.38Å; N1045-L1053 PolarHBondContact OD1-O 2.6Å; L1053-L1062 HydrophobicContact CD1-CB 4Å; L1053-L1062 HydrophobicContact CD2-CD1 4.34Å; L1053-L1062 HydrophobicContact CG-CD2 4.5Å; L1053-L1186 HydrophobicContact CD1-CD1 4.11Å; L1053-L1186 HydrophobicContact CD1-CD2 3.85Å; L1053-L1186 HydrophobicContact CD1-CG 4.21Å; L1053-L1190 HydrophobicContact CD2-CD2 3.91Å; L1053-L1190 HydrophobicContact CD2-CG 4.32Å |
| 1054 | N | 92.8 | Very high | 87.1 | Confident | 81 Ų | 81 | 49 Ų | 49 | 43% | 0.433 | 28% | 0.276 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.4 | 156.8 | -173.1 | -64 | -15.5 | 0 | 0 | 0 | 109.8 | L1062 A1063 | N1054-L1062 WeakPolarHBondContact O-CA 3.31Å; N1054-A1063 PolarHBondContact N-O 2.96Å; N1054-A1063 PolarHBondContact O-N 3.14Å; N1054-A1063 VanDerWaalsContact O-O 3.13Å |
| 1055 | F | 90.7 | Very high | 87.1 | Confident | 51 Ų | 51 | 50.3 Ų | 50.3 | 22% | 0.224 | 28% | 0.284 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.3 | 135 | 164.5 | -64 | -89.4 | 0 | 0 | 0 | 109.4 | V1037 H1038 V1041 L1062 | V1037-F1055 HydrophobicContact CG1-CE1 3.87Å; V1037-F1055 HydrophobicContact CG1-CZ 4.04Å; H1038-F1055 HydrophobicContact CB-CZ 4.41Å; H1038-F1055 AromaticContact CD2-CE2 3.79Å; H1038-F1055 AromaticContact CD2-CZ 3.43Å; H1038-F1055 VanDerWaalsContact CD2-CZ 3.43Å; H1038-F1055 WeakPolarHBondContact CD2-CZ 3.24Å; H1038-F1055 AromaticContact CE1-CD2 3.96Å; H1038-F1055 AromaticContact CE1-CE2 3.45Å; H1038-F1055 VanDerWaalsContact CE1-CE2 3.45Å; H1038-F1055 WeakPolarHBondContact CE1-CE2 3.29Å; H1038-F1055 AromaticContact CE1-CZ 3.9Å; H1038-F1055 AromaticContact CG-CE2 3.76Å; H1038-F1055 AromaticContact CG-CZ 3.69Å; H1038-F1055 AromaticContact ND1-CE2 3.54Å; H1038-F1055 AromaticContact ND1-CZ 3.97Å; H1038-F1055 AromaticContact NE2-CE2 3.63Å; H1038-F1055 AromaticContact NE2-CZ 3.61Å; V1041-F1055 HydrophobicContact CB-CE2 4.17Å; V1041-F1055 HydrophobicContact CB-CZ 4.46Å; V1041-F1055 HydrophobicContact CG1-CE2 4.12Å; V1041-F1055 HydrophobicContact CG2-CE2 3.9Å; V1041-F1055 HydrophobicContact CG2-CZ 3.88Å; F1055-L1062 HydrophobicContact CD1-CD2 3.59Å; F1055-L1062 HydrophobicContact CD2-CD2 4.34Å; F1055-L1062 HydrophobicContact CE1-CD2 3.6Å; F1055-L1062 HydrophobicContact CE2-CD2 4.33Å; F1055-L1062 HydrophobicContact CG-CD2 3.98Å; F1055-L1062 HydrophobicContact CZ-CD2 3.98Å |
| 1056 | V | 86.9 | Confident | 87 | Confident | 74 Ų | 74 | 48.9 Ų | 48.9 | 45% | 0.448 | 28% | 0.276 | S | S | . | . | S | Bend | trans | -82.6 | -36.4 | 175.4 | 179.1 | 0 | 0 | 0 | 0 | 110.8 | R1061 A1063 | V1056-R1061 HydrophobicContact CB-CB 4.42Å; V1056-R1061 WeakPolarHBondContact CB-O 3.44Å; V1056-R1061 PolarHBondContact N-O 2.9Å; V1056-A1063 HydrophobicContact CG2-CB 3.36Å |
| 1057 | D | 82.1 | Confident | 87.1 | Confident | 51 Ų | 51 | 49.7 Ų | 49.7 | 27% | 0.273 | 27% | 0.27 | S | S | . | . | S | Bend | trans | -159.7 | 175.5 | -172.2 | 55.1 | 59.9 | 0 | 0 | 0 | 109.9 | S1059 R1061 | D1057-S1059 PolarHBondContact O-N 2.84Å; D1057-S1059 WeakPolarHBondContact OD1-CA 3.34Å; D1057-S1059 WeakPolarHBondContact OD1-CB 3.36Å; D1057-S1059 PolarHBondContact OD1-N 3.2Å; D1057-S1059 PolarHBondContact OD1-OG 3.06Å; D1057-R1061 WeakPolarHBondContact OD2-CD 3.23Å; D1057-R1061 IonicContact OD2-CZ 3.7Å; D1057-R1061 IonicContact OD2-NE 3.96Å; D1057-R1061 IonicContact OD2-NH1 2.97Å; D1057-R1061 PolarHBondContact OD2-NH1 2.83Å |
| 1058 | D | 75.2 | Confident | 87.3 | Confident | 124 Ų | 124 | 49.2 Ų | 49.2 | 66% | 0.663 | 27% | 0.268 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -71.3 | -6.3 | 179.3 | -82.2 | -61.3 | 0 | 0 | 0 | 115.3 | R1034 C1060 | R1034-D1058 IonicContact CZ-OD1 3.23Å; R1034-D1058 VanDerWaalsContact CZ-OD1 3.23Å; R1034-D1058 PolarHBondContact NH1-O 2.93Å; R1034-D1058 IonicContact NH1-OD1 2.79Å; R1034-D1058 PolarHBondContact NH1-OD1 2.93Å; R1034-D1058 IonicContact NH2-OD1 2.72Å; R1034-D1058 PolarHBondContact NH2-OD1 3.45Å; D1058-C1060 PolarHBondContact O-N 3.05Å |
| 1059 | S | 70.7 | Confident | 87.6 | Confident | 71 Ų | 71 | 46.2 Ų | 46.2 | 50% | 0.497 | 24% | 0.243 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -89 | 29.1 | 178.7 | 65.1 | 0 | 0 | 0 | 0 | 113.2 | D1057 R1061 | D1057-S1059 PolarHBondContact O-N 2.84Å; D1057-S1059 WeakPolarHBondContact OD1-CA 3.34Å; D1057-S1059 WeakPolarHBondContact OD1-CB 3.36Å; D1057-S1059 PolarHBondContact OD1-N 3.2Å; D1057-S1059 PolarHBondContact OD1-OG 3.06Å; S1059-R1061 PolarHBondContact O-N 3.32Å; S1059-R1061 WeakPolarHBondContact OG-CD 3.37Å |
| 1060 | C | 69.7 | Low | 87.7 | Confident | 16 Ų | 16 | 42.7 Ų | 42.7 | 11% | 0.108 | 23% | 0.225 | C | C | . | . | | | trans | 57 | 13.4 | -178.6 | -66.7 | 0 | 0 | 0 | 0 | 115 | L1029 D1058 L1062 | L1029-C1060 VanDerWaalsContact CD2-O 3.32Å; L1029-C1060 WeakPolarHBondContact CD2-O 3.44Å; D1058-C1060 PolarHBondContact O-N 3.05Å; C1060-L1062 PolarHBondContact O-N 3.17Å |
| 1061 | R | 82.7 | Confident | 87.9 | Confident | 91 Ų | 91 | 41.2 Ų | 41.2 | 34% | 0.343 | 20% | 0.204 | S | C | . | . | | | trans | -71.1 | 123.6 | 178.4 | -65.2 | 177.2 | 62.2 | -106.1 | 0.1 | 109.3 | V1056 D1057 S1059 | V1056-R1061 HydrophobicContact CB-CB 4.42Å; V1056-R1061 WeakPolarHBondContact CB-O 3.44Å; V1056-R1061 PolarHBondContact N-O 2.9Å; D1057-R1061 WeakPolarHBondContact OD2-CD 3.23Å; D1057-R1061 IonicContact OD2-CZ 3.7Å; D1057-R1061 IonicContact OD2-NE 3.96Å; D1057-R1061 IonicContact OD2-NH1 2.97Å; D1057-R1061 PolarHBondContact OD2-NH1 2.83Å; S1059-R1061 PolarHBondContact O-N 3.32Å; S1059-R1061 WeakPolarHBondContact OG-CD 3.37Å |
| 1062 | L | 90.9 | Very high | 87.5 | Confident | 0 Ų | 0 | 41.3 Ų | 41.3 | 0% | 0 | 20% | 0.204 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.1 | 146.7 | -176.6 | -65.4 | 171.2 | 0 | 0 | 0 | 111 | L1029 V1037 V1041 L1053 N1054 F1055 C1060 T1137 S1138 L1190 | L1029-L1062 HydrophobicContact CD2-CD1 4.08Å; L1029-L1062 HydrophobicContact CD2-CG 4.28Å; V1037-L1062 HydrophobicContact CG1-CD1 3.87Å; V1037-L1062 HydrophobicContact CG1-CD2 4.45Å; V1037-L1062 HydrophobicContact CG1-CG 4.45Å; V1041-L1062 HydrophobicContact CG2-CD1 4.23Å; V1041-L1062 HydrophobicContact CG2-CD2 3.6Å; L1053-L1062 HydrophobicContact CD1-CB 4Å; L1053-L1062 HydrophobicContact CD2-CD1 4.34Å; L1053-L1062 HydrophobicContact CG-CD2 4.5Å; N1054-L1062 WeakPolarHBondContact O-CA 3.31Å; F1055-L1062 HydrophobicContact CD1-CD2 3.59Å; F1055-L1062 HydrophobicContact CD2-CD2 4.34Å; F1055-L1062 HydrophobicContact CE1-CD2 3.6Å; F1055-L1062 HydrophobicContact CE2-CD2 4.33Å; F1055-L1062 HydrophobicContact CG-CD2 3.98Å; F1055-L1062 HydrophobicContact CZ-CD2 3.98Å; C1060-L1062 PolarHBondContact O-N 3.17Å; L1062-T1137 CarbonylContact O-C 3.5Å; L1062-T1137 WeakPolarHBondContact O-CA 3.4Å; L1062-S1138 PolarHBondContact N-OG 3.3Å; L1062-S1138 PolarHBondContact O-N 2.95Å; L1062-S1138 PolarHBondContact O-OG 3.41Å; L1062-L1190 HydrophobicContact CD1-CD1 3.61Å; L1062-L1190 HydrophobicContact CD1-CD2 4.05Å; L1062-L1190 HydrophobicContact CD1-CG 4.46Å |
| 1063 | A | 93.6 | Very high | 86.9 | Confident | 1 Ų | 1 | 39.3 Ų | 39.3 | 1% | 0.008 | 20% | 0.202 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -141.7 | 146.3 | 166.8 | 0 | 0 | 0 | 0 | 0 | 110.4 | N1054 V1056 Y1135 V1136 T1137 | N1054-A1063 PolarHBondContact N-O 2.96Å; N1054-A1063 PolarHBondContact O-N 3.14Å; N1054-A1063 VanDerWaalsContact O-O 3.13Å; V1056-A1063 HydrophobicContact CG2-CB 3.36Å; A1063-Y1135 HydrophobicContact CB-CE1 3.91Å; A1063-Y1135 WeakPolarHBondContact CB-OH 3.49Å; A1063-V1136 CarbonylContact C-O 3.56Å; A1063-V1136 VanDerWaalsContact CA-O 3.27Å; A1063-V1136 WeakPolarHBondContact CA-O 3.37Å; A1063-T1137 HydrophobicContact CB-CG2 4.1Å |
| 1064 | G | 93.2 | Very high | 86.3 | Confident | 0 Ų | 0 | 44.1 Ų | 44.1 | 0% | 0 | 22% | 0.223 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -171.1 | 175.2 | -170.8 | 0 | 0 | 0 | 0 | 0 | 113.3 | R1052 Y1135 V1136 | R1052-G1064 CarbonylContact O-C 3.56Å; R1052-G1064 WeakPolarHBondContact O-CA 3.42Å; G1064-Y1135 WeakPolarHBondContact O-CA 3Å; G1064-V1136 PolarHBondContact N-O 2.87Å; G1064-V1136 PolarHBondContact O-N 3.36Å |
| 1065 | T | 93.5 | Very high | 85.8 | Confident | 28 Ų | 28 | 42.5 Ų | 42.5 | 17% | 0.172 | 22% | 0.217 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.6 | 125.1 | 179.6 | 58.6 | 0 | 0 | 0 | 0 | 110.8 | L1051 R1052 V1133 V1134 Y1135 | L1051-T1065 VanDerWaalsContact CA-OG1 3.25Å; L1051-T1065 WeakPolarHBondContact CA-OG1 3.38Å; R1052-T1065 PolarHBondContact N-OG1 3.46Å; R1052-T1065 PolarHBondContact O-N 2.97Å; R1052-T1065 PolarHBondContact O-OG1 3.4Å; T1065-V1133 HydrophobicContact CG2-CG1 4.01Å; T1065-V1134 CarbonylContact C-O 3.44Å; T1065-V1134 VanDerWaalsContact CA-O 3.31Å; T1065-V1134 WeakPolarHBondContact CA-O 3.37Å; T1065-Y1135 HydrophobicContact CG2-CD2 4.11Å |
| 1066 | L | 92.2 | Very high | 85.5 | Confident | 2 Ų | 2 | 40.1 Ų | 40.1 | 1% | 0.01 | 21% | 0.207 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.8 | 132.9 | 172.6 | 167.2 | 64.1 | 0 | 0 | 0 | 109.3 | I1068 V1133 V1134 V1136 P1185 L1189 I1211 | L1066-I1068 HydrophobicContact CD2-CD1 3.92Å; L1066-I1068 HydrophobicContact CD2-CG1 3.84Å; L1066-I1068 HydrophobicContact CG-CD1 4.41Å; L1066-I1068 HydrophobicContact CG-CG1 3.87Å; L1066-V1133 CarbonylContact O-C 3.6Å; L1066-V1133 WeakPolarHBondContact O-CA 3.5Å; L1066-V1134 HydrophobicContact CB-CG2 4.23Å; L1066-V1134 PolarHBondContact N-O 2.79Å; L1066-V1134 WeakPolarHBondContact O-CG2 3.43Å; L1066-V1134 PolarHBondContact O-N 3.11Å; L1066-V1136 HydrophobicContact CB-CG2 4.01Å; L1066-P1185 HydrophobicContact CD2-CB 3.73Å; L1066-P1185 HydrophobicContact CD2-CG 3.91Å; L1066-L1189 HydrophobicContact CD1-CD1 3.73Å; L1066-L1189 HydrophobicContact CD1-CD2 3.54Å; L1066-L1189 HydrophobicContact CD1-CG 4.3Å; L1066-I1211 HydrophobicContact CD1-CD1 4.01Å; L1066-I1211 HydrophobicContact CD2-CD1 4.34Å |
| 1067 | R | 92.6 | Very high | 85.4 | Confident | 73 Ų | 73 | 41.7 Ų | 41.7 | 28% | 0.275 | 21% | 0.207 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -88.4 | 118.5 | 168 | -173.7 | 179.9 | -67.2 | -116.4 | 10.3 | 109.8 | L1051 Y1069 S1131 K1132 V1133 | L1051-R1067 HydrophobicContact CD2-CB 4.2Å; R1067-Y1069 HydrophobicContact CG-CE2 4.2Å; R1067-S1131 PolarHBondContact NH1-OG 3.3Å; R1067-S1131 VanDerWaalsContact NH1-OG 3.11Å; R1067-K1132 WeakPolarHBondContact CA-O 3.21Å; R1067-V1133 HydrophobicContact CB-CG2 4.38Å; R1067-V1133 HydrophobicContact CG-CG2 4.49Å |
| 1068 | I | 92.9 | Very high | 85.2 | Confident | 0 Ų | 0 | 41.1 Ų | 41.1 | 0% | 0 | 20% | 0.204 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.7 | 124.6 | 172.2 | -59.7 | 177.7 | 0 | 0 | 0 | 107.9 | L1066 S1131 K1132 V1134 L1149 L1164 I1211 L1213 | L1066-I1068 HydrophobicContact CD2-CD1 3.92Å; L1066-I1068 HydrophobicContact CD2-CG1 3.84Å; L1066-I1068 HydrophobicContact CG-CD1 4.41Å; L1066-I1068 HydrophobicContact CG-CG1 3.87Å; I1068-S1131 CarbonylContact O-C 3.56Å; I1068-S1131 VanDerWaalsContact O-CA 3.29Å; I1068-S1131 WeakPolarHBondContact O-CA 3.34Å; I1068-S1131 WeakPolarHBondContact O-CB 3.3Å; I1068-K1132 PolarHBondContact N-O 3Å; I1068-K1132 PolarHBondContact O-N 3.38Å; I1068-V1134 HydrophobicContact CD1-CG2 3.78Å; I1068-V1134 HydrophobicContact CG1-CG2 4.22Å; I1068-L1149 HydrophobicContact CB-CD1 4.25Å; I1068-L1149 HydrophobicContact CD1-CD1 3.76Å; I1068-L1149 HydrophobicContact CG2-CD1 3.95Å; I1068-L1164 HydrophobicContact CD1-CD1 4.47Å; I1068-L1164 HydrophobicContact CD1-CD2 4.24Å; I1068-L1164 HydrophobicContact CG2-CD2 3.94Å; I1068-I1211 HydrophobicContact CG1-CG2 4.27Å; I1068-L1213 HydrophobicContact CG2-CB 3.95Å |
| 1069 | Y | 91.6 | Very high | 85.1 | Confident | 40 Ų | 40 | 36.3 Ų | 36.3 | 16% | 0.157 | 18% | 0.18 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -83.8 | 148.1 | 171.7 | -64.5 | -95.8 | 0 | 0 | 0 | 109.5 | R1067 R1210 I1211 V1212 L1213 | R1067-Y1069 HydrophobicContact CG-CE2 4.2Å; Y1069-R1210 HydrophobicContact CD2-CB 3.82Å; Y1069-R1210 HydrophobicContact CD2-CG 4.1Å; Y1069-R1210 HydrophobicContact CE2-CB 3.91Å; Y1069-R1210 HydrophobicContact CE2-CG 3.71Å; Y1069-I1211 PolarHBondContact N-O 3.02Å; Y1069-V1212 CarbonylContact O-C 3.51Å; Y1069-V1212 WeakPolarHBondContact O-CA 3.44Å; Y1069-L1213 PolarHBondContact O-N 2.75Å |
| 1070 | I | 88.7 | Confident | 84.7 | Confident | 2 Ų | 2 | 36.6 Ų | 36.6 | 1% | 0.01 | 18% | 0.175 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.9 | 118 | -173.3 | -55 | 173.4 | 0 | 0 | 0 | 109 | L1072 L1126 G1129 T1130 K1132 F1153 L1213 | I1070-L1072 HydrophobicContact CG2-CD1 4.2Å; I1070-L1072 HydrophobicContact CG2-CG 3.83Å; I1070-L1126 HydrophobicContact CD1-CD2 4.23Å; I1070-L1126 HydrophobicContact CG2-CD2 3.9Å; I1070-G1129 PolarHBondContact O-N 2.87Å; I1070-T1130 PolarHBondContact N-O 3.01Å; I1070-K1132 HydrophobicContact CD1-CG 4.29Å; I1070-F1153 HydrophobicContact CD1-CE2 3.58Å; I1070-F1153 HydrophobicContact CD1-CZ 3.79Å; I1070-L1213 HydrophobicContact CG2-CD2 4.48Å |
| 1071 | N | 87.1 | Confident | 83.8 | Confident | 26 Ų | 26 | 41.5 Ų | 41.5 | 14% | 0.139 | 19% | 0.192 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.5 | 72 | 179.3 | -177.1 | 40 | 0 | 0 | 0 | 109.6 | V1212 L1213 Q1214 | N1071-V1212 HydrophobicContact CB-CG1 3.91Å; N1071-L1213 PolarHBondContact N-O 3.4Å; N1071-Q1214 HydrophobicContact CB-CG 4.28Å |
| 1072 | L | 84.6 | Confident | 82.2 | Confident | 7 Ų | 7 | 45.5 Ų | 45.5 | 4% | 0.037 | 21% | 0.207 | C | C | . | . | | | trans | -91.8 | 134.8 | 172 | -55 | -176.2 | 0 | 0 | 0 | 109.2 | I1070 V1076 F1162 E1215 | I1070-L1072 HydrophobicContact CG2-CD1 4.2Å; I1070-L1072 HydrophobicContact CG2-CG 3.83Å; L1072-V1076 HydrophobicContact CD1-CG1 3.91Å; L1072-V1076 HydrophobicContact CD1-CG2 4.08Å; L1072-F1162 HydrophobicContact CD1-CE1 4.01Å; L1072-F1162 HydrophobicContact CD2-CD1 3.64Å; L1072-F1162 HydrophobicContact CD2-CE1 3.71Å; L1072-E1215 HydrophobicContact CD2-CG 4.13Å |
| 1073 | I | 79.7 | Confident | 79.9 | Confident | 88 Ų | 88 | 50.2 Ų | 50.2 | 45% | 0.451 | 24% | 0.235 | S | C | . | . | | | trans | -103.7 | -41.7 | -173.1 | -74.7 | 176.4 | 0 | 0 | 0 | 110.6 | E1215 | I1073-E1215 PolarHBondContact N-OE1 2.62Š|
| 1074 | K | 81.9 | Confident | 77.5 | Confident | 101 Ų | 101 | 56.4 Ų | 56.4 | 44% | 0.439 | 27% | 0.268 | S | S | . | . | S | Bend | trans | -87 | 153.7 | 175.9 | -51.8 | -175.7 | -160.8 | 72.7 | 0 | 109.5 | E1215 D1217 | K1074-E1215 WeakPolarHBondContact CB-OE1 3.38Å; K1074-E1215 WeakPolarHBondContact CD-OE2 3.12Å; K1074-E1215 WeakPolarHBondContact CE-OE2 3.26Å; K1074-E1215 WeakPolarHBondContact CG-OE1 3.31Å; K1074-E1215 VanDerWaalsContact CG-OE2 3.26Å; K1074-E1215 WeakPolarHBondContact CG-OE2 3.43Å; K1074-E1215 PolarHBondContact N-OE1 2.82Å; K1074-E1215 IonicContact NZ-OE1 3.27Å; K1074-E1215 IonicContact NZ-OE2 3.14Å; K1074-E1215 PolarHBondContact NZ-OE2 2.82Å; K1074-D1217 IonicContact NZ-OD1 2.84Å |
| 1075 | P | 82.4 | Confident | 75.2 | Confident | 47 Ų | 47 | 62.1 Ų | 62.1 | 31% | 0.305 | 30% | 0.298 | S | S | . | . | | | trans | -68.3 | 148 | 176.6 | 30.2 | -34 | 0 | 0 | 0 | 110.7 | F1124 F1125 | P1075-F1124 CarbonylContact C-O 3.53Å; P1075-F1124 VanDerWaalsContact CA-O 3.31Å; P1075-F1124 WeakPolarHBondContact CA-O 3.45Å; P1075-F1125 HydrophobicContact CB-CD1 4.12Å; P1075-F1125 HydrophobicContact CB-CD2 4.14Å; P1075-F1125 HydrophobicContact CB-CE1 3.98Å; P1075-F1125 HydrophobicContact CB-CE2 3.99Å; P1075-F1125 HydrophobicContact CB-CG 4.2Å; P1075-F1125 HydrophobicContact CB-CZ 3.91Å; P1075-F1125 HydrophobicContact CG-CE1 4.14Å; P1075-F1125 HydrophobicContact CG-CE2 4.31Å; P1075-F1125 HydrophobicContact CG-CZ 3.89Å |
| 1076 | V | 83.9 | Confident | 72.5 | Confident | 1 Ų | 1 | 67.7 Ų | 67.7 | 1% | 0.006 | 32% | 0.324 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.5 | 134.6 | 179.7 | -102 | 0 | 0 | 0 | 0 | 110.7 | L1072 M1078 S1123 F1124 L1126 I1155 E1157 F1162 | L1072-V1076 HydrophobicContact CD1-CG1 3.91Å; L1072-V1076 HydrophobicContact CD1-CG2 4.08Å; V1076-M1078 PolarHBondContact O-N 3.27Å; V1076-S1123 WeakPolarHBondContact O-CA 3.38Å; V1076-F1124 PolarHBondContact N-O 3.04Å; V1076-F1124 PolarHBondContact O-N 3.36Å; V1076-L1126 HydrophobicContact CG2-CD1 4Å; V1076-I1155 HydrophobicContact CB-CD1 4.43Å; V1076-I1155 HydrophobicContact CB-CG1 4.37Å; V1076-I1155 HydrophobicContact CB-CG2 4.15Å; V1076-I1155 HydrophobicContact CG1-CD1 4.4Å; V1076-I1155 HydrophobicContact CG1-CG2 3.87Å; V1076-I1155 HydrophobicContact CG2-CD1 4.37Å; V1076-E1157 WeakPolarHBondContact CA-OE1 3.42Å; V1076-F1162 HydrophobicContact CG1-CE1 4.06Å; V1076-F1162 HydrophobicContact CG1-CZ 3.76Å |
| 1077 | K | 83.6 | Confident | 69.8 | Low | 106 Ų | 106 | 74.3 Ų | 74.3 | 46% | 0.461 | 35% | 0.353 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.6 | 119 | 173.9 | -65.9 | 176.9 | -177.3 | 179.3 | 0 | 111.2 | I1155 Q1156 E1157 | K1077-I1155 WeakPolarHBondContact O-CA 3.47Å; K1077-Q1156 PolarHBondContact O-N 3.08Å; K1077-E1157 HydrophobicContact CB-CG 4.08Å; K1077-E1157 PolarHBondContact N-OE1 3.06Å |
| 1078 | M | 78.6 | Confident | 67.1 | Low | 39 Ų | 39 | 76.1 Ų | 76.1 | 19% | 0.192 | 37% | 0.374 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.7 | 151.4 | 174.5 | -52.4 | -159.3 | -59 | 0 | 0 | 111.6 | V1076 V1122 F1124 L1126 F1153 H1154 I1155 | V1076-M1078 PolarHBondContact O-N 3.27Å; M1078-V1122 PolarHBondContact N-O 3.06Å; M1078-V1122 PolarHBondContact O-N 3.23Å; M1078-V1122 VanDerWaalsContact O-N 3.09Å; M1078-F1124 HydrophobicContact CB-CD2 3.99Å; M1078-F1124 HydrophobicContact CB-CE2 4.24Å; M1078-F1124 HydrophobicContact CE-CB 3.98Å; M1078-F1124 HydrophobicContact CE-CD2 3.36Å; M1078-F1124 HydrophobicContact CE-CE2 3.85Å; M1078-F1124 HydrophobicContact CE-CG 3.76Å; M1078-F1124 HydrophobicContact CG-CD2 4.07Å; M1078-F1124 HydrophobicContact SD-CD2 4.5Å; M1078-L1126 HydrophobicContact SD-CD1 4.38Å; M1078-F1153 VanDerWaalsContact SD-O 3.37Å; M1078-H1154 WeakPolarHBondContact CA-O 3.44Å; M1078-I1155 HydrophobicContact CG-CG1 3.93Å; M1078-I1155 HydrophobicContact SD-CG1 4.05Å |
| 1079 | S | 73.6 | Confident | 64.2 | Low | 23 Ų | 23 | 82.1 Ų | 82.1 | 16% | 0.161 | 42% | 0.416 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86 | 120.7 | 174.7 | -177.7 | 0 | 0 | 0 | 0 | 111.2 | R1081 P1119 H1154 | S1079-R1081 PolarHBondContact O-N 2.69Å; S1079-P1119 WeakPolarHBondContact OG-CB 3.5Å; S1079-H1154 PolarHBondContact N-O 2.8Å |
| 1080 | L | 61 | Low | 61.5 | Low | 78 Ų | 78 | 83.9 Ų | 83.9 | 41% | 0.408 | 43% | 0.434 | S | S | . | . | | | trans | -74.7 | -0.6 | 179.6 | -107.9 | 179.7 | 0 | 0 | 0 | 115.3 | R1082 V1122 | L1080-R1082 PolarHBondContact O-N 3.15Å; L1080-V1122 HydrophobicContact CD1-CB 4.45Å; L1080-V1122 HydrophobicContact CD1-CG2 3.63Å; L1080-V1122 HydrophobicContact CG-CG2 4.26Å |
| 1081 | R | 50.8 | Low | 58.8 | Low | 119 Ų | 119 | 88.8 Ų | 88.8 | 45% | 0.449 | 48% | 0.475 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -73.5 | 47.2 | -170.3 | -86.4 | -169.1 | 170.2 | -115.4 | 8.3 | 115.4 | S1079 T1117 P1119 | S1079-R1081 PolarHBondContact O-N 2.69Å; R1081-T1117 PolarHBondContact NH2-O 3.02Å; R1081-P1119 HydrophobicContact CG-CB 4.19Å |
| 1082 | R | 49.4 | Very low | 56.2 | Low | 175 Ų | 175 | 93.5 Ų | 93.5 | 66% | 0.66 | 51% | 0.505 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -147.8 | -25.6 | 162.3 | -77.1 | -156.5 | 169.4 | 85.9 | 8.8 | 115.2 | L1080 L1084 H1154 | L1080-R1082 PolarHBondContact O-N 3.15Å; R1082-L1084 VanDerWaalsContact C-N 3.34Å; R1082-L1084 PolarHBondContact O-N 3.19Å; R1082-H1154 PolarHBondContact NH1-CE1 3.33Å; R1082-H1154 PolarHBondContact NH1-NE2 2.98Å |
| 1083 | T | 44.2 | Very low | 53.7 | Low | 98 Ų | 98 | 97.3 Ų | 97.3 | 60% | 0.601 | 54% | 0.538 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -75 | -24.2 | -179.1 | -38.5 | 0 | 0 | 0 | 0 | 113 | | |
| 1084 | L | 43.2 | Very low | 51.2 | Low | 132 Ų | 132 | 97.9 Ų | 97.9 | 69% | 0.691 | 55% | 0.549 | S | S | * | . | S | Bend | trans | -90 | -30 | 179.6 | -131.4 | 71.7 | 0 | 0 | 0 | 113.3 | R1082 M1086 F1087 | R1082-L1084 VanDerWaalsContact C-N 3.34Å; R1082-L1084 PolarHBondContact O-N 3.19Å; L1084-M1086 PolarHBondContact O-N 3.16Å; L1084-F1087 PolarHBondContact O-N 3.03Å |
| 1085 | D | 44.3 | Very low | 48.8 | Very low | 120 Ų | 120 | 98.9 Ų | 98.9 | 64% | 0.642 | 57% | 0.566 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -73.1 | -6 | -179.8 | -54.5 | -34.1 | 0 | 0 | 0 | 112.6 | | |
| 1086 | M | 36.3 | Very low | 46.4 | Very low | 144 Ų | 144 | 104.9 Ų | 104.9 | 71% | 0.709 | 59% | 0.59 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -86.9 | -8.5 | 170.3 | -157.5 | 169.9 | 77.8 | 0 | 0 | 113 | L1084 P1088 | L1084-M1086 PolarHBondContact O-N 3.16Å; M1086-P1088 WeakPolarHBondContact O-CD 3.36Å |
| 1087 | F | 36.1 | Very low | 44.1 | Very low | 142 Ų | 142 | 109.2 Ų | 109.2 | 62% | 0.623 | 62% | 0.619 | S | S | * | * | S | Bend | trans | -89.9 | 113.2 | 165.6 | -73.4 | -86.9 | 0 | 0 | 0 | 109.1 | L1084 S1089 | L1084-F1087 PolarHBondContact O-N 3.03Å; F1087-S1089 PolarHBondContact O-N 3.09Å |
| 1088 | P | 34.7 | Very low | 41.5 | Very low | 111 Ų | 111 | 111.6 Ų | 111.6 | 72% | 0.721 | 64% | 0.636 | S | S | * | * | | | trans | -65.4 | 103.3 | 179.1 | 26.4 | -33.3 | 0 | 0 | 0 | 109.9 | M1086 S1090 | M1086-P1088 WeakPolarHBondContact O-CD 3.36Å; P1088-S1090 PolarHBondContact O-N 3.08Å |
| 1089 | S | 31.7 | Very low | 39.2 | Very low | 126 Ų | 126 | 115.3 Ų | 115.3 | 88% | 0.881 | 67% | 0.666 | S | S | * | * | | | trans | -76.6 | 58.9 | 176.4 | -66.9 | 0 | 0 | 0 | 0 | 111.3 | F1087 | F1087-S1089 PolarHBondContact O-N 3.09Š|
| 1090 | S | 35.4 | Very low | 37.3 | Very low | 76 Ų | 76 | 119.6 Ų | 119.6 | 53% | 0.531 | 69% | 0.693 | S | S | . | * | | | trans | -143.6 | 96.4 | 173.1 | 58.2 | 0 | 0 | 0 | 0 | 109.2 | P1088 T1092 | P1088-S1090 PolarHBondContact O-N 3.08Å; S1090-T1092 PolarHBondContact O-N 3.37Å |
| 1091 | A | 33 | Very low | 36.1 | Very low | 106 Ų | 106 | 122.1 Ų | 122.1 | 88% | 0.876 | 71% | 0.712 | S | S | * | * | | | trans | -67.9 | 85.6 | 161.2 | 0 | 0 | 0 | 0 | 0 | 108.4 | A1093 | A1091-A1093 PolarHBondContact O-N 3.27Š|
| 1092 | T | 32.3 | Very low | 35.1 | Very low | 124 Ų | 124 | 125.3 Ų | 125.3 | 76% | 0.761 | 73% | 0.729 | S | S | * | * | | | trans | -71.9 | 76.1 | 167.6 | 51.8 | 0 | 0 | 0 | 0 | 108.6 | S1090 | S1090-T1092 PolarHBondContact O-N 3.37Š|
| 1093 | A | 30.6 | Very low | 34.4 | Very low | 87 Ų | 87 | 122.6 Ų | 122.6 | 72% | 0.719 | 73% | 0.732 | S | S | * | * | | | trans | -55.8 | 140.5 | 161.1 | 0 | 0 | 0 | 0 | 0 | 108.8 | A1091 P1095 | A1091-A1093 PolarHBondContact O-N 3.27Å; A1093-P1095 WeakPolarHBondContact O-CD 3.46Å |
| 1094 | S | 27.7 | Very low | 33.7 | Very low | 100 Ų | 100 | 124.5 Ų | 124.5 | 70% | 0.699 | 74% | 0.738 | S | S | * | * | | | trans | -53.9 | 127.1 | -172.1 | -174.8 | 0 | 0 | 0 | 0 | 113.4 | E1096 | S1094-E1096 PolarHBondContact O-N 3.19Š|
| 1095 | P | 32.1 | Very low | 33.2 | Very low | 123 Ų | 123 | 125 Ų | 125 | 80% | 0.799 | 74% | 0.741 | S | S | * | * | | | trans | -90 | 84 | 160.2 | 34.7 | -28.6 | 0 | 0 | 0 | 109.8 | A1093 | A1093-P1095 WeakPolarHBondContact O-CD 3.46Š|
| 1096 | E | 31.8 | Very low | 32.7 | Very low | 173 Ų | 173 | 125.7 Ų | 125.7 | 81% | 0.808 | 75% | 0.745 | S | S | * | * | | | trans | -73.7 | 148.8 | 162.2 | -91.1 | -124.1 | 111.1 | 0 | 0 | 110.7 | S1094 | S1094-E1096 PolarHBondContact O-N 3.19Š|
| 1097 | P | 35.3 | Very low | 32.4 | Very low | 92 Ų | 92 | 127.4 Ų | 127.4 | 60% | 0.597 | 75% | 0.751 | S | S | * | * | | | trans | -90.2 | 170.1 | -164.8 | 34.8 | -36.7 | 0 | 0 | 0 | 115.4 | | |
| 1098 | N | 28.7 | Very low | 32 | Very low | 156 Ų | 156 | 126.8 Ų | 126.8 | 83% | 0.834 | 76% | 0.764 | S | S | * | * | | | trans | 91.3 | 81.6 | 160.6 | -48.8 | -51.7 | 0 | 0 | 0 | 119.3 | | |
| 1099 | S | 30.5 | Very low | 31.7 | Very low | 116 Ų | 116 | 124.9 Ų | 124.9 | 81% | 0.811 | 77% | 0.765 | S | S | * | * | | | trans | -155.8 | 116.3 | 139.4 | 60.5 | 0 | 0 | 0 | 0 | 111.7 | | |
| 1100 | P | 34.8 | Very low | 31.7 | Very low | 114 Ų | 114 | 125.5 Ų | 125.5 | 74% | 0.74 | 76% | 0.758 | S | S | * | * | | | trans | -94.6 | 174.6 | 176.7 | 37.3 | -34.7 | 0 | 0 | 0 | 112.8 | | |
| 1101 | T | 34.2 | Very low | 31.7 | Very low | 130 Ų | 130 | 131 Ų | 131 | 80% | 0.798 | 78% | 0.776 | S | S | * | * | | | trans | 90 | 126 | 172.7 | -45.6 | 0 | 0 | 0 | 0 | 114.1 | | |
| 1102 | K | 31 | Very low | 32.1 | Very low | 186 Ų | 186 | 132.3 Ų | 132.3 | 81% | 0.809 | 77% | 0.768 | S | S | * | * | | | cis | -165.5 | 160.3 | -9.2 | -124.8 | -176.7 | -175.4 | 176.5 | 0 | 111.3 | | |
| 1103 | V | 35.1 | Very low | 32.3 | Very low | 118 Ų | 118 | 133.9 Ų | 133.9 | 72% | 0.715 | 77% | 0.772 | S | S | * | * | | | trans | 72.2 | 125.8 | 152.1 | 176.4 | 0 | 0 | 0 | 0 | 119.9 | | |
| 1104 | N | 29.1 | Very low | 32.8 | Very low | 138 Ų | 138 | 134 Ų | 134 | 74% | 0.738 | 77% | 0.773 | S | S | * | * | | | trans | -17.2 | 153.8 | 156 | -50.6 | -5.4 | 0 | 0 | 0 | 117.5 | | |
| 1105 | L | 31.8 | Very low | 33.7 | Very low | 143 Ų | 143 | 134.8 Ų | 134.8 | 75% | 0.749 | 77% | 0.773 | S | S | * | * | | | | -169.1 | 148.8 | 78.7 | -86.9 | 167.7 | 0 | 0 | 0 | 114.1 | | |
| 1106 | N | 33.6 | Very low | 34.5 | Very low | 134 Ų | 134 | 133.9 Ų | 133.9 | 72% | 0.717 | 77% | 0.767 | S | S | * | * | | | trans | 75.5 | 105.3 | 149.8 | -57.3 | -2.4 | 0 | 0 | 0 | 121.9 | | |
| 1107 | E | 30.4 | Very low | 35.2 | Very low | 180 Ų | 180 | 130.4 Ų | 130.4 | 84% | 0.841 | 76% | 0.758 | S | S | * | * | | | trans | 4.9 | 148.7 | 137 | -57 | 178.9 | 123.1 | 0 | 0 | 123.1 | | |
| 1108 | S | 28.4 | Very low | 36.1 | Very low | 129 Ų | 129 | 130.7 Ų | 130.7 | 90% | 0.902 | 76% | 0.76 | S | S | * | * | | | trans | 79.2 | 127.1 | 152.8 | 75.8 | 0 | 0 | 0 | 0 | 119.4 | | |
| 1109 | G | 27.9 | Very low | 37.4 | Very low | 72 Ų | 72 | 125.3 Ų | 125.3 | 74% | 0.742 | 73% | 0.733 | S | S | * | * | | | trans | 151.3 | 118.9 | 172.1 | 0 | 0 | 0 | 0 | 0 | 114 | | |
| 1110 | D | 33 | Very low | 38.9 | Very low | 138 Ų | 138 | 129.7 Ų | 129.7 | 74% | 0.738 | 73% | 0.732 | S | S | * | * | | | trans | 44.6 | 82.7 | 159.6 | -57.1 | -17.2 | 0 | 0 | 0 | 120.2 | N1112 | D1110-N1112 VanDerWaalsContact C-N 3.25Å; D1110-N1112 WeakPolarHBondContact CB-ND2 3.38Å; D1110-N1112 PolarHBondContact O-N 2.86Å; D1110-N1112 PolarHBondContact O-ND2 2.77Å |
| 1111 | E | 34.8 | Very low | 40.5 | Very low | 191 Ų | 191 | 128 Ų | 128 | 89% | 0.893 | 72% | 0.717 | S | S | * | * | | | trans | -58.7 | 94.4 | 142.4 | -75.4 | -168.4 | 135.1 | 0 | 0 | 108.9 | N1113 | E1111-N1113 PolarHBondContact O-N 3.31Å; E1111-N1113 VanDerWaalsContact O-N 3.16Å |
| 1112 | N | 41.3 | Very low | 42.3 | Very low | 134 Ų | 134 | 124.2 Ų | 124.2 | 72% | 0.717 | 69% | 0.693 | S | S | * | * | | | trans | -67.3 | 115.2 | -176.2 | -89.1 | -99.6 | 0 | 0 | 0 | 110.4 | D1110 A1114 | D1110-N1112 VanDerWaalsContact C-N 3.25Å; D1110-N1112 WeakPolarHBondContact CB-ND2 3.38Å; D1110-N1112 PolarHBondContact O-N 2.86Å; D1110-N1112 PolarHBondContact O-ND2 2.77Å; N1112-A1114 PolarHBondContact O-N 2.87Å |
| 1113 | N | 35.5 | Very low | 44.5 | Very low | 158 Ų | 158 | 118.8 Ų | 118.8 | 85% | 0.845 | 68% | 0.679 | S | S | * | * | | | trans | -63.5 | 81.5 | 171.7 | -95.7 | -55.6 | 0 | 0 | 0 | 110.7 | E1111 V1115 | E1111-N1113 PolarHBondContact O-N 3.31Å; E1111-N1113 VanDerWaalsContact O-N 3.16Å; N1113-V1115 PolarHBondContact O-N 3.13Å |
| 1114 | A | 41.9 | Very low | 46.5 | Very low | 89 Ų | 89 | 117.1 Ų | 117.1 | 74% | 0.736 | 66% | 0.662 | S | S | * | * | | | trans | -69.6 | 79.5 | 172.9 | 0 | 0 | 0 | 0 | 0 | 109.7 | N1112 P1116 | N1112-A1114 PolarHBondContact O-N 2.87Å; A1114-P1116 WeakPolarHBondContact O-CD 3.41Å |
| 1115 | V | 45.8 | Very low | 48.8 | Very low | 116 Ų | 116 | 117.5 Ų | 117.5 | 70% | 0.703 | 66% | 0.657 | S | S | * | * | | | trans | -43.5 | 115.7 | 175.2 | 175.2 | 0 | 0 | 0 | 0 | 108.6 | N1113 T1117 | N1113-V1115 PolarHBondContact O-N 3.13Å; V1115-T1117 PolarHBondContact O-N 2.96Å |
| 1116 | P | 49 | Very low | 50.9 | Low | 105 Ų | 105 | 111.7 Ų | 111.7 | 68% | 0.682 | 63% | 0.627 | S | S | * | * | | | trans | -58.3 | 109.2 | -172.8 | -27.8 | 35.4 | 0 | 0 | 0 | 109.9 | A1114 | A1114-P1116 WeakPolarHBondContact O-CD 3.41Š|
| 1117 | T | 47.5 | Very low | 52.7 | Low | 99 Ų | 99 | 108.2 Ų | 108.2 | 61% | 0.607 | 61% | 0.611 | S | S | * | * | P | Polyproline II helix | trans | -52.6 | 119.1 | -170.5 | -35.6 | 0 | 0 | 0 | 0 | 108.4 | R1081 V1115 | R1081-T1117 PolarHBondContact NH2-O 3.02Å; V1115-T1117 PolarHBondContact O-N 2.96Å |
| 1118 | P | 53.2 | Low | 54.5 | Low | 98 Ų | 98 | 105.3 Ų | 105.3 | 64% | 0.636 | 59% | 0.593 | S | S | * | * | P | Polyproline II helix | trans | -55.3 | 130.4 | -169 | 18.7 | -31.2 | 0 | 0 | 0 | 108.4 | R1120 | P1118-R1120 PolarHBondContact O-N 3.41Å; P1118-R1120 VanDerWaalsContact O-N 3.11Å |
| 1119 | P | 57 | Low | 56.4 | Low | 44 Ų | 44 | 99.7 Ų | 99.7 | 29% | 0.286 | 56% | 0.556 | S | S | . | * | P | Polyproline II helix | trans | -51.1 | 124.4 | -171.3 | 17.7 | -30.3 | 0 | 0 | 0 | 109.4 | S1079 R1081 L1121 | S1079-P1119 WeakPolarHBondContact OG-CB 3.5Å; R1081-P1119 HydrophobicContact CG-CB 4.19Å; P1119-L1121 HydrophobicContact CB-CD2 4.17Å; P1119-L1121 HydrophobicContact CG-CD2 4.14Å; P1119-L1121 VanDerWaalsContact O-CD2 3.24Å; P1119-L1121 WeakPolarHBondContact O-CD2 3.47Å; P1119-L1121 WeakPolarHBondContact O-CG 3.45Å; P1119-L1121 PolarHBondContact O-N 3.08Å |
| 1120 | R | 62.8 | Low | 58.9 | Low | 207 Ų | 207 | 98.4 Ų | 98.4 | 78% | 0.781 | 53% | 0.533 | S | S | * | . | | | trans | -62.5 | 102.9 | 177.2 | -81.9 | -173.4 | 168.5 | 116.3 | -3.7 | 107.9 | P1118 | P1118-R1120 PolarHBondContact O-N 3.41Å; P1118-R1120 VanDerWaalsContact O-N 3.11Å |
| 1121 | L | 67.6 | Low | 61.5 | Low | 79 Ų | 79 | 93.4 Ų | 93.4 | 41% | 0.414 | 51% | 0.509 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.5 | 122 | 179.6 | -52.8 | -170.9 | 0 | 0 | 0 | 108.1 | P1119 Q1156 | P1119-L1121 HydrophobicContact CB-CD2 4.17Å; P1119-L1121 HydrophobicContact CG-CD2 4.14Å; P1119-L1121 VanDerWaalsContact O-CD2 3.24Å; P1119-L1121 WeakPolarHBondContact O-CD2 3.47Å; P1119-L1121 WeakPolarHBondContact O-CG 3.45Å; P1119-L1121 PolarHBondContact O-N 3.08Å; L1121-Q1156 HydrophobicContact CD2-CG 4.37Å |
| 1122 | V | 72.5 | Confident | 64 | Low | 51 Ų | 51 | 88.6 Ų | 88.6 | 31% | 0.309 | 49% | 0.485 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.9 | 131.6 | 175.6 | 178.9 | 0 | 0 | 0 | 0 | 108.1 | M1078 L1080 F1124 | M1078-V1122 PolarHBondContact N-O 3.06Å; M1078-V1122 PolarHBondContact O-N 3.23Å; M1078-V1122 VanDerWaalsContact O-N 3.09Å; L1080-V1122 HydrophobicContact CD1-CB 4.45Å; L1080-V1122 HydrophobicContact CD1-CG2 3.63Å; L1080-V1122 HydrophobicContact CG-CG2 4.26Å; V1122-F1124 HydrophobicContact CB-CD2 4.22Å; V1122-F1124 HydrophobicContact CB-CE2 3.53Å; V1122-F1124 HydrophobicContact CB-CZ 3.88Å; V1122-F1124 HydrophobicContact CG1-CD1 4.47Å; V1122-F1124 HydrophobicContact CG1-CD2 4.02Å; V1122-F1124 HydrophobicContact CG1-CE1 3.98Å; V1122-F1124 HydrophobicContact CG1-CE2 3.51Å; V1122-F1124 HydrophobicContact CG1-CZ 3.48Å; V1122-F1124 VanDerWaalsContact CG1-CZ 3.48Å; V1122-F1124 VanDerWaalsContact O-CD2 3.28Å; V1122-F1124 WeakPolarHBondContact O-CD2 3.4Å |
| 1123 | S | 77.4 | Confident | 66.3 | Low | 72 Ų | 72 | 85 Ų | 85 | 50% | 0.503 | 47% | 0.468 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.3 | 118.4 | 178.8 | -57.9 | 0 | 0 | 0 | 0 | 109.1 | V1076 | V1076-S1123 WeakPolarHBondContact O-CA 3.38Å |
| 1124 | F | 75.3 | Confident | 69 | Low | 82 Ų | 82 | 77.6 Ų | 77.6 | 36% | 0.36 | 43% | 0.429 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.3 | 148.5 | 178.7 | -63.9 | -88.1 | 0 | 0 | 0 | 110.8 | P1075 V1076 M1078 V1122 | P1075-F1124 CarbonylContact C-O 3.53Å; P1075-F1124 VanDerWaalsContact CA-O 3.31Å; P1075-F1124 WeakPolarHBondContact CA-O 3.45Å; V1076-F1124 PolarHBondContact N-O 3.04Å; V1076-F1124 PolarHBondContact O-N 3.36Å; M1078-F1124 HydrophobicContact CB-CD2 3.99Å; M1078-F1124 HydrophobicContact CB-CE2 4.24Å; M1078-F1124 HydrophobicContact CE-CB 3.98Å; M1078-F1124 HydrophobicContact CE-CD2 3.36Å; M1078-F1124 HydrophobicContact CE-CE2 3.85Å; M1078-F1124 HydrophobicContact CE-CG 3.76Å; M1078-F1124 HydrophobicContact CG-CD2 4.07Å; M1078-F1124 HydrophobicContact SD-CD2 4.5Å; V1122-F1124 HydrophobicContact CB-CD2 4.22Å; V1122-F1124 HydrophobicContact CB-CE2 3.53Å; V1122-F1124 HydrophobicContact CB-CZ 3.88Å; V1122-F1124 HydrophobicContact CG1-CD1 4.47Å; V1122-F1124 HydrophobicContact CG1-CD2 4.02Å; V1122-F1124 HydrophobicContact CG1-CE1 3.98Å; V1122-F1124 HydrophobicContact CG1-CE2 3.51Å; V1122-F1124 HydrophobicContact CG1-CZ 3.48Å; V1122-F1124 VanDerWaalsContact CG1-CZ 3.48Å; V1122-F1124 VanDerWaalsContact O-CD2 3.28Å; V1122-F1124 WeakPolarHBondContact O-CD2 3.4Å |
| 1125 | F | 77.6 | Confident | 71.4 | Confident | 146 Ų | 146 | 80 Ų | 80 | 64% | 0.64 | 42% | 0.419 | S | S | * | . | P | Polyproline II helix | trans | -86.2 | 121.1 | 165.2 | -71 | -87.1 | 0 | 0 | 0 | 109.1 | P1075 | P1075-F1125 HydrophobicContact CB-CD1 4.12Å; P1075-F1125 HydrophobicContact CB-CD2 4.14Å; P1075-F1125 HydrophobicContact CB-CE1 3.98Å; P1075-F1125 HydrophobicContact CB-CE2 3.99Å; P1075-F1125 HydrophobicContact CB-CG 4.2Å; P1075-F1125 HydrophobicContact CB-CZ 3.91Å; P1075-F1125 HydrophobicContact CG-CE1 4.14Å; P1075-F1125 HydrophobicContact CG-CE2 4.31Å; P1075-F1125 HydrophobicContact CG-CZ 3.89Å |
| 1126 | L | 77.6 | Confident | 73.7 | Confident | 22 Ų | 22 | 74.7 Ų | 74.7 | 12% | 0.115 | 39% | 0.388 | C | S | . | . | P | Polyproline II helix | trans | -71 | 134.1 | 164.8 | -114 | 73.5 | 0 | 0 | 0 | 108.7 | I1070 V1076 M1078 R1128 F1153 | I1070-L1126 HydrophobicContact CD1-CD2 4.23Å; I1070-L1126 HydrophobicContact CG2-CD2 3.9Å; V1076-L1126 HydrophobicContact CG2-CD1 4Å; M1078-L1126 HydrophobicContact SD-CD1 4.38Å; L1126-R1128 PolarHBondContact O-N 3.21Å; L1126-F1153 HydrophobicContact CD2-CE1 4.41Å; L1126-F1153 HydrophobicContact CD2-CE2 4.49Å; L1126-F1153 HydrophobicContact CD2-CZ 4.28Å |
| 1127 | P | 69.6 | Low | 75.8 | Confident | 60 Ų | 60 | 71.3 Ų | 71.3 | 39% | 0.39 | 37% | 0.365 | S | S | . | . | P | Polyproline II helix | trans | -61.9 | 124 | 177.1 | -19.9 | 31.1 | 0 | 0 | 0 | 110.6 | F995 T1130 | F995-P1127 HydrophobicContact CE1-CB 4.02Å; F995-P1127 HydrophobicContact CZ-CB 3.74Å; P1127-T1130 HydrophobicContact CB-CG2 3.96Å; P1127-T1130 HydrophobicContact CG-CG2 4.38Å; P1127-T1130 WeakPolarHBondContact O-CB 3.43Å; P1127-T1130 WeakPolarHBondContact O-CG2 3.27Å; P1127-T1130 PolarHBondContact O-N 3.37Å; P1127-T1130 PolarHBondContact O-OG1 3.46Å |
| 1128 | R | 68.8 | Low | 77.8 | Confident | 119 Ų | 119 | 67.5 Ų | 67.5 | 45% | 0.449 | 34% | 0.343 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -66.9 | 138.7 | -173.4 | -60.9 | -170.9 | -175 | 166.6 | 4.2 | 111.8 | F995 M1003 L1126 T1130 | F995-R1128 WeakPolarHBondContact CE1-O 3.29Å; M1003-R1128 HydrophobicContact CE-CB 4.47Å; M1003-R1128 WeakPolarHBondContact CE-O 3.34Å; M1003-R1128 HydrophobicContact SD-CB 3.52Å; M1003-R1128 VanDerWaalsContact SD-CB 3.52Å; L1126-R1128 PolarHBondContact O-N 3.21Å; R1128-T1130 PolarHBondContact O-N 2.66Å |
| 1129 | G | 67.7 | Low | 79.6 | Confident | 12 Ų | 12 | 66.1 Ų | 66.1 | 12% | 0.124 | 34% | 0.335 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 77.9 | 9.8 | -176.8 | 0 | 0 | 0 | 0 | 0 | 113.6 | C999 I1070 | C999-G1129 PolarHBondContact SG-O 3.38Å; I1070-G1129 PolarHBondContact O-N 2.87Å |
| 1130 | T | 80.3 | Confident | 81.4 | Confident | 44 Ų | 44 | 65.1 Ų | 65.1 | 27% | 0.27 | 33% | 0.328 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -57.4 | 152.7 | 158.4 | 41.7 | 0 | 0 | 0 | 0 | 110 | I1070 P1127 R1128 | I1070-T1130 PolarHBondContact N-O 3.01Å; P1127-T1130 HydrophobicContact CB-CG2 3.96Å; P1127-T1130 HydrophobicContact CG-CG2 4.38Å; P1127-T1130 WeakPolarHBondContact O-CB 3.43Å; P1127-T1130 WeakPolarHBondContact O-CG2 3.27Å; P1127-T1130 PolarHBondContact O-N 3.37Å; P1127-T1130 PolarHBondContact O-OG1 3.46Å; R1128-T1130 PolarHBondContact O-N 2.66Å |
| 1131 | S | 87.4 | Confident | 82.9 | Confident | 34 Ų | 34 | 56.9 Ų | 56.9 | 24% | 0.238 | 30% | 0.301 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.7 | 151.7 | 169.7 | 64.2 | 0 | 0 | 0 | 0 | 110.5 | R1067 I1068 | R1067-S1131 PolarHBondContact NH1-OG 3.3Å; R1067-S1131 VanDerWaalsContact NH1-OG 3.11Å; I1068-S1131 CarbonylContact O-C 3.56Å; I1068-S1131 VanDerWaalsContact O-CA 3.29Å; I1068-S1131 WeakPolarHBondContact O-CA 3.34Å; I1068-S1131 WeakPolarHBondContact O-CB 3.3Å |
| 1132 | K | 87.8 | Confident | 84.2 | Confident | 90 Ų | 90 | 53.2 Ų | 53.2 | 39% | 0.391 | 28% | 0.282 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -126 | 141.6 | 170.8 | -76 | -64.8 | -172.7 | 178.1 | 0 | 109.8 | R1067 I1068 I1070 L1149 F1153 | R1067-K1132 WeakPolarHBondContact CA-O 3.21Å; I1068-K1132 PolarHBondContact N-O 3Å; I1068-K1132 PolarHBondContact O-N 3.38Å; I1070-K1132 HydrophobicContact CD1-CG 4.29Å; K1132-L1149 HydrophobicContact CB-CD2 4.23Å; K1132-F1153 HydrophobicContact CD-CZ 4.15Å; K1132-F1153 HydrophobicContact CG-CE2 3.91Å; K1132-F1153 HydrophobicContact CG-CZ 3.51Å |
| 1133 | V | 90.5 | Very high | 85.1 | Confident | 58 Ų | 58 | 52.5 Ų | 52.5 | 35% | 0.352 | 28% | 0.281 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.8 | 125.9 | 165.8 | -177.3 | 0 | 0 | 0 | 0 | 107.7 | L1051 T1065 L1066 R1067 R1152 | L1051-V1133 HydrophobicContact CD2-CG1 4.45Å; T1065-V1133 HydrophobicContact CG2-CG1 4.01Å; L1066-V1133 CarbonylContact O-C 3.6Å; L1066-V1133 WeakPolarHBondContact O-CA 3.5Å; R1067-V1133 HydrophobicContact CB-CG2 4.38Å; R1067-V1133 HydrophobicContact CG-CG2 4.49Å; V1133-R1152 PolarHBondContact O-NH1 3.47Å |
| 1134 | V | 91.6 | Very high | 85.9 | Confident | 3 Ų | 3 | 53.6 Ų | 53.6 | 2% | 0.018 | 28% | 0.281 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.2 | 141.5 | 176 | -68.7 | 0 | 0 | 0 | 0 | 109.6 | T1065 L1066 I1068 V1136 L1149 | T1065-V1134 CarbonylContact C-O 3.44Å; T1065-V1134 VanDerWaalsContact CA-O 3.31Å; T1065-V1134 WeakPolarHBondContact CA-O 3.37Å; L1066-V1134 HydrophobicContact CB-CG2 4.23Å; L1066-V1134 PolarHBondContact N-O 2.79Å; L1066-V1134 WeakPolarHBondContact O-CG2 3.43Å; L1066-V1134 PolarHBondContact O-N 3.11Å; I1068-V1134 HydrophobicContact CD1-CG2 3.78Å; I1068-V1134 HydrophobicContact CG1-CG2 4.22Å; V1134-V1136 HydrophobicContact CB-CG1 4.39Å; V1134-V1136 HydrophobicContact CG2-CG1 3.97Å; V1134-L1149 HydrophobicContact CG1-CD2 3.52Å; V1134-L1149 HydrophobicContact CG1-CG 4.1Å |
| 1135 | Y | 92.6 | Very high | 86.7 | Confident | 138 Ų | 138 | 49.7 Ų | 49.7 | 54% | 0.541 | 26% | 0.264 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.1 | 124.6 | 172.1 | -170.1 | -99.3 | 0 | 0 | 0 | 108.9 | A1063 G1064 T1065 | A1063-Y1135 HydrophobicContact CB-CE1 3.91Å; A1063-Y1135 WeakPolarHBondContact CB-OH 3.49Å; G1064-Y1135 WeakPolarHBondContact O-CA 3Å; T1065-Y1135 HydrophobicContact CG2-CD2 4.11Å |
| 1136 | V | 93.4 | Very high | 87.5 | Confident | 6 Ų | 6 | 43.2 Ų | 43.2 | 4% | 0.036 | 24% | 0.236 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -140.9 | 156.5 | -172.5 | -67.4 | 0 | 0 | 0 | 0 | 110.8 | A1063 G1064 L1066 V1134 T1140 L1186 | A1063-V1136 CarbonylContact C-O 3.56Å; A1063-V1136 VanDerWaalsContact CA-O 3.27Å; A1063-V1136 WeakPolarHBondContact CA-O 3.37Å; G1064-V1136 PolarHBondContact N-O 2.87Å; G1064-V1136 PolarHBondContact O-N 3.36Å; L1066-V1136 HydrophobicContact CB-CG2 4.01Å; V1134-V1136 HydrophobicContact CB-CG1 4.39Å; V1134-V1136 HydrophobicContact CG2-CG1 3.97Å; V1136-T1140 HydrophobicContact CB-CG2 4.13Å; V1136-T1140 HydrophobicContact CG1-CG2 4.01Å; V1136-L1186 HydrophobicContact CG2-CB 4.13Å; V1136-L1186 HydrophobicContact CG2-CD1 4.13Å; V1136-L1186 HydrophobicContact CG2-CD2 4.47Å; V1136-L1186 HydrophobicContact CG2-CG 4.48Å |
| 1137 | T | 93.1 | Very high | 88.2 | Confident | 34 Ų | 34 | 45.9 Ų | 45.9 | 21% | 0.209 | 25% | 0.248 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.5 | 164.4 | 174 | 68.5 | 0 | 0 | 0 | 0 | 111.7 | L1062 A1063 S1139 T1140 | L1062-T1137 CarbonylContact O-C 3.5Å; L1062-T1137 WeakPolarHBondContact O-CA 3.4Å; A1063-T1137 HydrophobicContact CB-CG2 4.1Å; T1137-S1139 PolarHBondContact O-N 2.68Å; T1137-S1139 PolarHBondContact OG1-N 2.74Å; T1137-S1139 PolarHBondContact OG1-OG 2.99Å; T1137-T1140 PolarHBondContact N-OG1 3.36Å; T1137-T1140 VanDerWaalsContact O-CB 3.31Å; T1137-T1140 WeakPolarHBondContact O-CB 3.32Å; T1137-T1140 PolarHBondContact O-N 2.97Å; T1137-T1140 PolarHBondContact O-OG1 2.83Å; T1137-T1140 PolarHBondContact OG1-N 3.3Å; T1137-T1140 VanDerWaalsContact OG1-N 3.15Å; T1137-T1140 PolarHBondContact OG1-OG1 3.05Å |
| 1138 | S | 91.2 | Very high | 89.1 | Confident | 19 Ų | 19 | 45.3 Ų | 45.3 | 13% | 0.133 | 25% | 0.246 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -59.8 | -23.8 | 169.4 | 57.9 | 0 | 0 | 0 | 0 | 112.9 | L1062 C1184 | L1062-S1138 PolarHBondContact N-OG 3.3Å; L1062-S1138 PolarHBondContact O-N 2.95Å; L1062-S1138 PolarHBondContact O-OG 3.41Å; S1138-C1184 VanDerWaalsContact O-CB 3.28Å; S1138-C1184 WeakPolarHBondContact O-CB 3.37Å; S1138-C1184 PolarHBondContact O-SG 3.2Å |
| 1139 | S | 90.6 | Very high | 90.1 | Very high | 68 Ų | 68 | 39.7 Ų | 39.7 | 48% | 0.476 | 23% | 0.225 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -90.5 | 4.5 | 174.4 | 71.6 | 0 | 0 | 0 | 0 | 114.3 | T1137 T1141 | T1137-S1139 PolarHBondContact O-N 2.68Å; T1137-S1139 PolarHBondContact OG1-N 2.74Å; T1137-S1139 PolarHBondContact OG1-OG 2.99Å; S1139-T1141 PolarHBondContact O-N 2.92Å |
| 1140 | T | 93.5 | Very high | 91.2 | Very high | 23 Ų | 23 | 39.2 Ų | 39.2 | 14% | 0.141 | 22% | 0.219 | C | C | . | . | | | trans | -84.8 | 110.2 | 177 | -59.1 | 0 | 0 | 0 | 0 | 109.2 | V1136 T1137 N1144 A1145 C1184 P1185 | V1136-T1140 HydrophobicContact CB-CG2 4.13Å; V1136-T1140 HydrophobicContact CG1-CG2 4.01Å; T1137-T1140 PolarHBondContact N-OG1 3.36Å; T1137-T1140 VanDerWaalsContact O-CB 3.31Å; T1137-T1140 WeakPolarHBondContact O-CB 3.32Å; T1137-T1140 PolarHBondContact O-N 2.97Å; T1137-T1140 PolarHBondContact O-OG1 2.83Å; T1137-T1140 PolarHBondContact OG1-N 3.3Å; T1137-T1140 VanDerWaalsContact OG1-N 3.15Å; T1137-T1140 PolarHBondContact OG1-OG1 3.05Å; T1140-N1144 HydrophobicContact CG2-CB 4.09Å; T1140-A1145 HydrophobicContact CG2-CB 4.32Å; T1140-C1184 WeakPolarHBondContact O-CA 3.45Å; T1140-C1184 WeakPolarHBondContact O-CB 3.4Å; T1140-C1184 PolarHBondContact O-SG 2.63Å; T1140-P1185 WeakPolarHBondContact O-CD 3.36Å |
| 1141 | T | 94.7 | Very high | 91.5 | Very high | 34 Ų | 34 | 41.3 Ų | 41.3 | 21% | 0.209 | 23% | 0.229 | C | C | . | . | | | trans | -71.7 | 162.8 | 176.9 | 63.2 | 0 | 0 | 0 | 0 | 112.1 | S1139 A1143 N1144 A1145 T1181 E1183 | S1139-T1141 PolarHBondContact O-N 2.92Å; T1141-A1143 VanDerWaalsContact C-N 3.27Å; T1141-A1143 PolarHBondContact O-N 3.42Å; T1141-N1144 PolarHBondContact O-N 3.41Å; T1141-N1144 VanDerWaalsContact O-N 3.13Å; T1141-N1144 VanDerWaalsContact OG1-CG 3.3Å; T1141-N1144 PolarHBondContact OG1-N 2.94Å; T1141-N1144 PolarHBondContact OG1-OD1 3.36Å; T1141-A1145 PolarHBondContact O-N 2.96Å; T1141-T1181 WeakPolarHBondContact CB-O 3.42Å; T1141-E1183 CarbonylContact C-O 3.59Å |
| 1142 | S | 94.4 | Very high | 91.3 | Very high | 3 Ų | 3 | 46.6 Ų | 46.6 | 2% | 0.021 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -57.9 | -38.6 | 175.8 | -62.4 | 0 | 0 | 0 | 0 | 112.4 | A1145 I1146 S1180 E1183 | S1142-A1145 PolarHBondContact O-N 3.44Å; S1142-I1146 WeakPolarHBondContact O-CD1 3.33Å; S1142-I1146 WeakPolarHBondContact O-CG1 3.29Å; S1142-I1146 PolarHBondContact O-N 2.85Å; S1142-S1180 VanDerWaalsContact CB-O 3.31Å; S1142-S1180 WeakPolarHBondContact CB-O 3.49Å; S1142-S1180 PolarHBondContact OG-O 3.22Å; S1142-E1183 WeakPolarHBondContact CB-O 3.47Å; S1142-E1183 PolarHBondContact N-O 3.14Å; S1142-E1183 PolarHBondContact OG-O 3.45Å |
| 1143 | A | 92.4 | Very high | 90.9 | Very high | 35 Ų | 35 | 44.6 Ų | 44.6 | 29% | 0.289 | 24% | 0.235 | S | C | . | . | H | α-helix | trans | -61.9 | -43.6 | 175.1 | 0 | 0 | 0 | 0 | 0 | 112.3 | T1141 I1146 Q1147 | T1141-A1143 VanDerWaalsContact C-N 3.27Å; T1141-A1143 PolarHBondContact O-N 3.42Å; A1143-I1146 PolarHBondContact O-N 3.44Å; A1143-Q1147 PolarHBondContact O-N 2.9Å |
| 1144 | N | 93.4 | Very high | 90.5 | Very high | 95 Ų | 95 | 45.3 Ų | 45.3 | 51% | 0.508 | 23% | 0.234 | S | C | . | . | H | α-helix | trans | -69.4 | -37.2 | 177.9 | -65.3 | 2.3 | 0 | 0 | 0 | 111.6 | T1140 T1141 Q1147 S1148 | T1140-N1144 HydrophobicContact CG2-CB 4.09Å; T1141-N1144 PolarHBondContact O-N 3.41Å; T1141-N1144 VanDerWaalsContact O-N 3.13Å; T1141-N1144 VanDerWaalsContact OG1-CG 3.3Å; T1141-N1144 PolarHBondContact OG1-N 2.94Å; T1141-N1144 PolarHBondContact OG1-OD1 3.36Å; N1144-Q1147 PolarHBondContact O-N 3.45Å; N1144-S1148 WeakPolarHBondContact O-CB 3.26Å; N1144-S1148 PolarHBondContact O-N 2.96Å; N1144-S1148 PolarHBondContact O-OG 3.49Å; N1144-S1148 VanDerWaalsContact O-OG 3.09Å |
| 1145 | A | 93.5 | Very high | 90.2 | Very high | 0 Ų | 0 | 45.6 Ų | 45.6 | 0% | 0 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -63.6 | -41.6 | 174.5 | 0 | 0 | 0 | 0 | 0 | 111.8 | T1140 T1141 S1142 S1148 L1149 L1164 P1185 | T1140-A1145 HydrophobicContact CG2-CB 4.32Å; T1141-A1145 PolarHBondContact O-N 2.96Å; S1142-A1145 PolarHBondContact O-N 3.44Å; A1145-S1148 PolarHBondContact O-OG 3.48Å; A1145-L1149 PolarHBondContact O-N 2.96Å; A1145-L1164 HydrophobicContact CB-CD1 4.12Å; A1145-P1185 HydrophobicContact CB-CG 4.11Å |
| 1146 | I | 93.9 | Very high | 89.7 | Confident | 11 Ų | 11 | 44 Ų | 44 | 6% | 0.056 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -61.6 | -52.6 | 173 | -67.1 | 161.7 | 0 | 0 | 0 | 110.3 | S1142 A1143 S1148 L1149 L1150 A1159 F1162 L1164 L1213 | S1142-I1146 WeakPolarHBondContact O-CD1 3.33Å; S1142-I1146 WeakPolarHBondContact O-CG1 3.29Å; S1142-I1146 PolarHBondContact O-N 2.85Å; A1143-I1146 PolarHBondContact O-N 3.44Å; I1146-S1148 VanDerWaalsContact C-N 3.35Å; I1146-S1148 PolarHBondContact O-N 3.42Å; I1146-L1149 WeakPolarHBondContact O-CB 3.44Å; I1146-L1149 PolarHBondContact O-N 3.33Å; I1146-L1149 VanDerWaalsContact O-N 3.1Å; I1146-L1150 HydrophobicContact CG2-CD1 3.8Å; I1146-L1150 HydrophobicContact CG2-CG 4.3Å; I1146-L1150 WeakPolarHBondContact O-CG 3.15Å; I1146-L1150 PolarHBondContact O-N 3.48Å; I1146-A1159 HydrophobicContact CG2-CB 3.85Å; I1146-F1162 HydrophobicContact CG2-CB 4.09Å; I1146-L1164 HydrophobicContact CD1-CG 4.21Å; I1146-L1164 HydrophobicContact CG1-CD1 4.43Å; I1146-L1164 HydrophobicContact CG1-CD2 4.3Å; I1146-L1164 HydrophobicContact CG1-CG 3.87Å; I1146-L1213 HydrophobicContact CG1-CD1 3.89Å; I1146-L1213 HydrophobicContact CG2-CD1 4.31Å |
| 1147 | Q | 91.7 | Very high | 89.2 | Confident | 78 Ų | 78 | 45.1 Ų | 45.1 | 36% | 0.364 | 24% | 0.238 | S | C | . | . | H | α-helix | trans | -57.6 | -46.6 | -178.5 | -169.3 | 63.2 | 54.2 | 0 | 0 | 111.7 | A1143 N1144 L1149 L1150 D1151 | A1143-Q1147 PolarHBondContact O-N 2.9Å; N1144-Q1147 PolarHBondContact O-N 3.45Å; Q1147-L1149 VanDerWaalsContact C-N 3.26Å; Q1147-L1149 PolarHBondContact O-N 2.88Å; Q1147-L1150 PolarHBondContact O-N 2.93Å; Q1147-D1151 PolarHBondContact NE2-OD1 3.04Å; Q1147-D1151 PolarHBondContact O-N 2.87Å |
| 1148 | S | 89.3 | Confident | 88.8 | Confident | 48 Ų | 48 | 47.1 Ų | 47.1 | 34% | 0.336 | 25% | 0.253 | S | S | . | . | H | α-helix | trans | -64.2 | -24 | 178.4 | 64 | 0 | 0 | 0 | 0 | 114.8 | N1144 A1145 I1146 R1152 | N1144-S1148 WeakPolarHBondContact O-CB 3.26Å; N1144-S1148 PolarHBondContact O-N 2.96Å; N1144-S1148 PolarHBondContact O-OG 3.49Å; N1144-S1148 VanDerWaalsContact O-OG 3.09Å; A1145-S1148 PolarHBondContact O-OG 3.48Å; I1146-S1148 VanDerWaalsContact C-N 3.35Å; I1146-S1148 PolarHBondContact O-N 3.42Å; S1148-R1152 VanDerWaalsContact O-CB 3.22Å; S1148-R1152 WeakPolarHBondContact O-CB 3.27Å; S1148-R1152 PolarHBondContact O-N 2.78Å |
| 1149 | L | 90.4 | Very high | 88.6 | Confident | 1 Ų | 1 | 47.2 Ų | 47.2 | 1% | 0.005 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -73.8 | -47.6 | 168 | -81.5 | 171.9 | 0 | 0 | 0 | 111.4 | I1068 K1132 V1134 A1145 I1146 Q1147 R1152 F1153 L1213 | I1068-L1149 HydrophobicContact CB-CD1 4.25Å; I1068-L1149 HydrophobicContact CD1-CD1 3.76Å; I1068-L1149 HydrophobicContact CG2-CD1 3.95Å; K1132-L1149 HydrophobicContact CB-CD2 4.23Å; V1134-L1149 HydrophobicContact CG1-CD2 3.52Å; V1134-L1149 HydrophobicContact CG1-CG 4.1Å; A1145-L1149 PolarHBondContact O-N 2.96Å; I1146-L1149 WeakPolarHBondContact O-CB 3.44Å; I1146-L1149 PolarHBondContact O-N 3.33Å; I1146-L1149 VanDerWaalsContact O-N 3.1Å; Q1147-L1149 VanDerWaalsContact C-N 3.26Å; Q1147-L1149 PolarHBondContact O-N 2.88Å; L1149-R1152 PolarHBondContact O-N 2.95Å; L1149-F1153 HydrophobicContact CD2-CE2 4.27Å; L1149-F1153 VanDerWaalsContact O-CD2 3.26Å; L1149-F1153 WeakPolarHBondContact O-CD2 3.22Å; L1149-F1153 PolarHBondContact O-N 3.44Å; L1149-L1213 HydrophobicContact CD1-CD2 4.2Å |
| 1150 | L | 89.5 | Confident | 88.4 | Confident | 1 Ų | 1 | 50.4 Ų | 50.4 | 1% | 0.005 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -63.3 | -44.5 | -177.8 | -61.9 | 173.1 | 0 | 0 | 0 | 111.4 | I1146 Q1147 R1152 F1153 H1154 I1155 A1159 F1162 | I1146-L1150 HydrophobicContact CG2-CD1 3.8Å; I1146-L1150 HydrophobicContact CG2-CG 4.3Å; I1146-L1150 WeakPolarHBondContact O-CG 3.15Å; I1146-L1150 PolarHBondContact O-N 3.48Å; Q1147-L1150 PolarHBondContact O-N 2.93Å; L1150-R1152 VanDerWaalsContact C-N 3.34Å; L1150-R1152 PolarHBondContact O-N 3.45Å; L1150-F1153 CarbonylContact O-C 3.52Å; L1150-F1153 PolarHBondContact O-N 2.96Å; L1150-H1154 PolarHBondContact O-N 3.06Å; L1150-I1155 HydrophobicContact CB-CB 4.32Å; L1150-I1155 HydrophobicContact CD2-CB 3.94Å; L1150-I1155 HydrophobicContact CD2-CD1 3.91Å; L1150-I1155 HydrophobicContact CD2-CG2 3.79Å; L1150-I1155 PolarHBondContact O-N 2.9Å; L1150-A1159 HydrophobicContact CD1-CB 3.96Å; L1150-F1162 HydrophobicContact CD1-CD2 3.72Å; L1150-F1162 HydrophobicContact CD1-CE2 3.87Å; L1150-F1162 HydrophobicContact CD2-CD2 3.9Å; L1150-F1162 HydrophobicContact CD2-CE2 3.64Å; L1150-F1162 HydrophobicContact CD2-CZ 4.1Å; L1150-F1162 HydrophobicContact CG-CD2 4.43Å; L1150-F1162 HydrophobicContact CG-CE2 4.43Å |
| 1151 | D | 87.3 | Confident | 88.1 | Confident | 89 Ų | 89 | 52.3 Ų | 52.3 | 48% | 0.476 | 26% | 0.263 | S | S | . | . | H | α-helix | trans | -58.9 | -45.6 | 175.5 | -63.6 | -21.9 | 0 | 0 | 0 | 111.1 | Q1147 F1153 H1154 | Q1147-D1151 PolarHBondContact NE2-OD1 3.04Å; Q1147-D1151 PolarHBondContact O-N 2.87Å; D1151-F1153 VanDerWaalsContact C-N 3.31Å; D1151-F1153 PolarHBondContact O-N 3Å; D1151-H1154 PolarHBondContact O-N 3.22Å; D1151-H1154 PolarHBondContact O-ND1 3.37Å |
| 1152 | R | 83.1 | Confident | 88 | Confident | 144 Ų | 144 | 51 Ų | 51 | 54% | 0.543 | 25% | 0.254 | S | S | . | . | H | α-helix | trans | -64.5 | -32.2 | 178.4 | -179.2 | 180 | -67.8 | -160.3 | -7.1 | 113 | V1133 S1148 L1149 L1150 | V1133-R1152 PolarHBondContact O-NH1 3.47Å; S1148-R1152 VanDerWaalsContact O-CB 3.22Å; S1148-R1152 WeakPolarHBondContact O-CB 3.27Å; S1148-R1152 PolarHBondContact O-N 2.78Å; L1149-R1152 PolarHBondContact O-N 2.95Å; L1150-R1152 VanDerWaalsContact C-N 3.34Å; L1150-R1152 PolarHBondContact O-N 3.45Å |
| 1153 | F | 78.8 | Confident | 87.9 | Confident | 48 Ų | 48 | 51.1 Ų | 51.1 | 21% | 0.211 | 26% | 0.255 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -90.1 | -0.1 | 173.3 | -76.4 | -67.3 | 0 | 0 | 0 | 113.6 | I1070 M1078 L1126 K1132 L1149 L1150 D1151 I1155 | I1070-F1153 HydrophobicContact CD1-CE2 3.58Å; I1070-F1153 HydrophobicContact CD1-CZ 3.79Å; M1078-F1153 VanDerWaalsContact SD-O 3.37Å; L1126-F1153 HydrophobicContact CD2-CE1 4.41Å; L1126-F1153 HydrophobicContact CD2-CE2 4.49Å; L1126-F1153 HydrophobicContact CD2-CZ 4.28Å; K1132-F1153 HydrophobicContact CD-CZ 4.15Å; K1132-F1153 HydrophobicContact CG-CE2 3.91Å; K1132-F1153 HydrophobicContact CG-CZ 3.51Å; L1149-F1153 HydrophobicContact CD2-CE2 4.27Å; L1149-F1153 VanDerWaalsContact O-CD2 3.26Å; L1149-F1153 WeakPolarHBondContact O-CD2 3.22Å; L1149-F1153 PolarHBondContact O-N 3.44Å; L1150-F1153 CarbonylContact O-C 3.52Å; L1150-F1153 PolarHBondContact O-N 2.96Å; D1151-F1153 VanDerWaalsContact C-N 3.31Å; D1151-F1153 PolarHBondContact O-N 3Å; F1153-I1155 HydrophobicContact CB-CD1 3.61Å; F1153-I1155 HydrophobicContact CB-CG1 3.77Å; F1153-I1155 HydrophobicContact CD2-CD1 4.5Å; F1153-I1155 HydrophobicContact CG-CD1 4.3Å; F1153-I1155 PolarHBondContact O-N 3.39Å |
| 1154 | H | 82.5 | Confident | 88 | Confident | 73 Ų | 73 | 49.5 Ų | 49.5 | 34% | 0.338 | 24% | 0.242 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 54.7 | 29.8 | -174.4 | -57.2 | -6.7 | 0 | 0 | 0 | 113.6 | M1078 S1079 R1082 L1150 D1151 | M1078-H1154 WeakPolarHBondContact CA-O 3.44Å; S1079-H1154 PolarHBondContact N-O 2.8Å; R1082-H1154 PolarHBondContact NH1-CE1 3.33Å; R1082-H1154 PolarHBondContact NH1-NE2 2.98Å; L1150-H1154 PolarHBondContact O-N 3.06Å; D1151-H1154 PolarHBondContact O-N 3.22Å; D1151-H1154 PolarHBondContact O-ND1 3.37Å |
| 1155 | I | 84.5 | Confident | 88 | Confident | 10 Ų | 10 | 45.8 Ų | 45.8 | 5% | 0.051 | 22% | 0.221 | C | C | . | . | B | Isolated β-bridge | trans | -76.3 | 121.3 | 175.2 | -65.1 | 164.9 | 0 | 0 | 0 | 108 | V1076 K1077 M1078 L1150 F1153 E1157 | V1076-I1155 HydrophobicContact CB-CD1 4.43Å; V1076-I1155 HydrophobicContact CB-CG1 4.37Å; V1076-I1155 HydrophobicContact CB-CG2 4.15Å; V1076-I1155 HydrophobicContact CG1-CD1 4.4Å; V1076-I1155 HydrophobicContact CG1-CG2 3.87Å; V1076-I1155 HydrophobicContact CG2-CD1 4.37Å; K1077-I1155 WeakPolarHBondContact O-CA 3.47Å; M1078-I1155 HydrophobicContact CG-CG1 3.93Å; M1078-I1155 HydrophobicContact SD-CG1 4.05Å; L1150-I1155 HydrophobicContact CB-CB 4.32Å; L1150-I1155 HydrophobicContact CD2-CB 3.94Å; L1150-I1155 HydrophobicContact CD2-CD1 3.91Å; L1150-I1155 HydrophobicContact CD2-CG2 3.79Å; L1150-I1155 PolarHBondContact O-N 2.9Å; F1153-I1155 HydrophobicContact CB-CD1 3.61Å; F1153-I1155 HydrophobicContact CB-CG1 3.77Å; F1153-I1155 HydrophobicContact CD2-CD1 4.5Å; F1153-I1155 HydrophobicContact CG-CD1 4.3Å; F1153-I1155 PolarHBondContact O-N 3.39Å; I1155-E1157 VanDerWaalsContact C-N 3.3Å; I1155-E1157 HydrophobicContact CG2-CB 3.95Å; I1155-E1157 HydrophobicContact CG2-CG 4.08Å; I1155-E1157 PolarHBondContact O-N 2.9Å |
| 1156 | Q | 82.4 | Confident | 88.1 | Confident | 105 Ų | 105 | 46.3 Ų | 46.3 | 49% | 0.491 | 22% | 0.223 | S | C | . | . | | | trans | -90.9 | 14.4 | -177.5 | -67.4 | -154.6 | -16 | 0 | 0 | 114 | K1077 L1121 | K1077-Q1156 PolarHBondContact O-N 3.08Å; L1121-Q1156 HydrophobicContact CD2-CG 4.37Å |
| 1157 | E | 83.1 | Confident | 88.1 | Confident | 29 Ų | 29 | 46.1 Ų | 46.1 | 14% | 0.136 | 22% | 0.222 | C | C | . | . | S | Bend | trans | -88 | 143 | -179.8 | -59 | -168 | 174.1 | 0 | 0 | 111.3 | V1076 K1077 I1155 A1159 K1161 F1162 | V1076-E1157 WeakPolarHBondContact CA-OE1 3.42Å; K1077-E1157 HydrophobicContact CB-CG 4.08Å; K1077-E1157 PolarHBondContact N-OE1 3.06Å; I1155-E1157 VanDerWaalsContact C-N 3.3Å; I1155-E1157 HydrophobicContact CG2-CB 3.95Å; I1155-E1157 HydrophobicContact CG2-CG 4.08Å; I1155-E1157 PolarHBondContact O-N 2.9Å; E1157-A1159 PolarHBondContact O-N 3.08Å; E1157-K1161 HydrophobicContact CB-CD 4.48Å; E1157-K1161 IonicContact OE1-NZ 2.85Å; E1157-K1161 WeakPolarHBondContact OE2-CD 3.33Å; E1157-K1161 WeakPolarHBondContact OE2-CE 3.31Å; E1157-K1161 IonicContact OE2-NZ 3.43Å; E1157-K1161 PolarHBondContact OE2-NZ 3.04Å; E1157-F1162 HydrophobicContact CB-CE2 3.89Å; E1157-F1162 HydrophobicContact CB-CZ 4.02Å |
| 1158 | S | 85.1 | Confident | 88.2 | Confident | 76 Ų | 76 | 43.1 Ų | 43.1 | 53% | 0.531 | 21% | 0.209 | S | C | . | . | | | trans | -56.6 | 131.2 | -179.3 | 176.4 | 0 | 0 | 0 | 0 | 111.5 | R1160 K1161 | S1158-R1160 PolarHBondContact O-N 3.24Å; S1158-R1160 PolarHBondContact OG-N 3.1Å; S1158-K1161 VanDerWaalsContact O-CB 3.27Å; S1158-K1161 WeakPolarHBondContact O-CB 3.26Å; S1158-K1161 PolarHBondContact O-N 3.48Å |
| 1159 | A | 87.6 | Confident | 88.3 | Confident | 20 Ų | 20 | 43 Ų | 43 | 17% | 0.165 | 21% | 0.205 | C | C | . | . | G | 310 helix | trans | -53 | -25.8 | 176.3 | 0 | 0 | 0 | 0 | 0 | 113.7 | I1146 L1150 E1157 K1161 F1162 | I1146-A1159 HydrophobicContact CG2-CB 3.85Å; L1150-A1159 HydrophobicContact CD1-CB 3.96Å; E1157-A1159 PolarHBondContact O-N 3.08Å; A1159-K1161 VanDerWaalsContact C-N 3.27Å; A1159-K1161 PolarHBondContact O-N 3.22Å; A1159-F1162 PolarHBondContact O-N 2.92Å; A1159-F1162 VanDerWaalsContact O-N 3.11Å; A1159-F1162 VanDerWaalsContact O-O 3.05Å |
| 1160 | R | 85 | Confident | 88.2 | Confident | 136 Ų | 136 | 47.1 Ų | 47.1 | 51% | 0.513 | 22% | 0.224 | S | C | . | . | G | 310 helix | trans | -67.2 | -23.6 | 176.7 | -52.9 | -162 | -158.3 | 179.2 | 24.1 | 114.2 | S1158 F1162 N1216 C1219 E1222 | S1158-R1160 PolarHBondContact O-N 3.24Å; S1158-R1160 PolarHBondContact OG-N 3.1Å; R1160-F1162 PolarHBondContact O-N 2.95Å; R1160-N1216 PolarHBondContact O-ND2 3.36Å; R1160-C1219 PolarHBondContact O-SG 2.84Å; R1160-E1222 IonicContact CZ-OE1 2.76Å; R1160-E1222 IonicContact CZ-OE2 2.77Å; R1160-E1222 IonicContact NH1-OE1 3.8Å; R1160-E1222 PolarHBondContact NH1-OE1 3.11Å; R1160-E1222 IonicContact NH1-OE2 3.35Å; R1160-E1222 PolarHBondContact NH1-OE2 3.26Å; R1160-E1222 IonicContact NH2-OE1 3.92Å; R1160-E1222 IonicContact NH2-OE2 2.66Å; R1160-E1222 PolarHBondContact NH2-OE2 3.37Å |
| 1161 | K | 87.8 | Confident | 88 | Confident | 63 Ų | 63 | 50.6 Ų | 50.6 | 27% | 0.274 | 26% | 0.26 | S | S | . | . | G | 310 helix | trans | -68.5 | -10.8 | 173.6 | -161.7 | -153.9 | 174.5 | -165.1 | 0 | 111.6 | E1157 S1158 A1159 E1215 N1216 | E1157-K1161 HydrophobicContact CB-CD 4.48Å; E1157-K1161 IonicContact OE1-NZ 2.85Å; E1157-K1161 WeakPolarHBondContact OE2-CD 3.33Å; E1157-K1161 WeakPolarHBondContact OE2-CE 3.31Å; E1157-K1161 IonicContact OE2-NZ 3.43Å; E1157-K1161 PolarHBondContact OE2-NZ 3.04Å; S1158-K1161 VanDerWaalsContact O-CB 3.27Å; S1158-K1161 WeakPolarHBondContact O-CB 3.26Å; S1158-K1161 PolarHBondContact O-N 3.48Å; A1159-K1161 VanDerWaalsContact C-N 3.27Å; A1159-K1161 PolarHBondContact O-N 3.22Å; K1161-E1215 CarbonylContact O-C 3.54Å; K1161-E1215 WeakPolarHBondContact O-CA 3.5Å; K1161-N1216 PolarHBondContact O-N 3.33Å |
| 1162 | F | 91.7 | Very high | 87.8 | Confident | 6 Ų | 6 | 50.9 Ų | 50.9 | 3% | 0.026 | 27% | 0.269 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.3 | 158.7 | 179.6 | -48.4 | -82.1 | 0 | 0 | 0 | 111.1 | L1072 V1076 I1146 L1150 E1157 A1159 R1160 L1213 Q1214 E1215 | L1072-F1162 HydrophobicContact CD1-CE1 4.01Å; L1072-F1162 HydrophobicContact CD2-CD1 3.64Å; L1072-F1162 HydrophobicContact CD2-CE1 3.71Å; V1076-F1162 HydrophobicContact CG1-CE1 4.06Å; V1076-F1162 HydrophobicContact CG1-CZ 3.76Å; I1146-F1162 HydrophobicContact CG2-CB 4.09Å; L1150-F1162 HydrophobicContact CD1-CD2 3.72Å; L1150-F1162 HydrophobicContact CD1-CE2 3.87Å; L1150-F1162 HydrophobicContact CD2-CD2 3.9Å; L1150-F1162 HydrophobicContact CD2-CE2 3.64Å; L1150-F1162 HydrophobicContact CD2-CZ 4.1Å; L1150-F1162 HydrophobicContact CG-CD2 4.43Å; L1150-F1162 HydrophobicContact CG-CE2 4.43Å; E1157-F1162 HydrophobicContact CB-CE2 3.89Å; E1157-F1162 HydrophobicContact CB-CZ 4.02Å; A1159-F1162 PolarHBondContact O-N 2.92Å; A1159-F1162 VanDerWaalsContact O-N 3.11Å; A1159-F1162 VanDerWaalsContact O-O 3.05Å; R1160-F1162 PolarHBondContact O-N 2.95Å; F1162-L1213 HydrophobicContact CB-CD1 3.86Å; F1162-Q1214 CarbonylContact C-O 3.46Å; F1162-Q1214 WeakPolarHBondContact CA-O 3.34Å; F1162-Q1214 WeakPolarHBondContact CB-O 3.5Å; F1162-E1215 HydrophobicContact CE1-CG 4.48Å |
| 1163 | A | 93.1 | Very high | 88 | Confident | 5 Ų | 5 | 45.2 Ų | 45.2 | 4% | 0.041 | 25% | 0.252 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.9 | 155.5 | 168.6 | 0 | 0 | 0 | 0 | 0 | 110.4 | Y1165 K1178 Q1214 N1216 | A1163-Y1165 HydrophobicContact CB-CD2 4.31Å; A1163-Y1165 HydrophobicContact CB-CE2 3.69Å; A1163-K1178 HydrophobicContact CB-CD 4.29Å; A1163-K1178 HydrophobicContact CB-CG 4.07Å; A1163-Q1214 PolarHBondContact N-O 2.88Å; A1163-Q1214 PolarHBondContact O-N 2.89Å; A1163-N1216 HydrophobicContact CB-CB 4.1Å |
| 1164 | L | 94.7 | Very high | 88.6 | Confident | 1 Ų | 1 | 43 Ų | 43 | 1% | 0.005 | 24% | 0.242 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -88 | 138.6 | 166.3 | -65 | 179.5 | 0 | 0 | 0 | 108.8 | I1068 A1145 I1146 L1179 P1185 I1211 V1212 L1213 | I1068-L1164 HydrophobicContact CD1-CD1 4.47Å; I1068-L1164 HydrophobicContact CD1-CD2 4.24Å; I1068-L1164 HydrophobicContact CG2-CD2 3.94Å; A1145-L1164 HydrophobicContact CB-CD1 4.12Å; I1146-L1164 HydrophobicContact CD1-CG 4.21Å; I1146-L1164 HydrophobicContact CG1-CD1 4.43Å; I1146-L1164 HydrophobicContact CG1-CD2 4.3Å; I1146-L1164 HydrophobicContact CG1-CG 3.87Å; L1164-L1179 HydrophobicContact CB-CB 4.32Å; L1164-L1179 HydrophobicContact CB-CD2 4.27Å; L1164-L1179 PolarHBondContact O-N 3.24Å; L1164-P1185 HydrophobicContact CD1-CB 4.33Å; L1164-P1185 HydrophobicContact CD1-CG 4.1Å; L1164-I1211 HydrophobicContact CB-CG2 4.32Å; L1164-I1211 HydrophobicContact CD1-CG2 4.36Å; L1164-I1211 HydrophobicContact CD2-CG2 4.15Å; L1164-V1212 CarbonylContact C-O 3.58Å; L1164-V1212 WeakPolarHBondContact CA-O 3.37Å; L1164-L1213 HydrophobicContact CD2-CB 4.08Å; L1164-L1213 HydrophobicContact CD2-CD1 3.9Å |
| 1165 | Y | 94.3 | Very high | 89.1 | Confident | 17 Ų | 17 | 40 Ų | 40 | 7% | 0.067 | 23% | 0.229 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.5 | 135 | 175.2 | -68.6 | -103.6 | 0 | 0 | 0 | 109.6 | A1163 H1167 A1176 R1177 K1178 I1211 V1212 Q1214 | A1163-Y1165 HydrophobicContact CB-CD2 4.31Å; A1163-Y1165 HydrophobicContact CB-CE2 3.69Å; Y1165-H1167 PolarHBondContact O-N 2.99Å; Y1165-A1176 HydrophobicContact CD1-CB 4.24Å; Y1165-R1177 CarbonylContact C-O 3.54Å; Y1165-R1177 VanDerWaalsContact CA-O 3.3Å; Y1165-R1177 WeakPolarHBondContact CA-O 3.3Å; Y1165-K1178 HydrophobicContact CD1-CB 3.84Å; Y1165-K1178 HydrophobicContact CD1-CG 4.46Å; Y1165-K1178 HydrophobicContact CE1-CB 3.57Å; Y1165-K1178 HydrophobicContact CE1-CD 4.37Å; Y1165-K1178 HydrophobicContact CE1-CG 4.01Å; Y1165-K1178 HydrophobicContact CE2-CG 4.5Å; Y1165-I1211 WeakPolarHBondContact O-CA 3.32Å; Y1165-V1212 PolarHBondContact N-O 2.82Å; Y1165-V1212 PolarHBondContact O-N 2.78Å; Y1165-Q1214 HydrophobicContact CD2-CB 3.97Å; Y1165-Q1214 HydrophobicContact CD2-CG 4.08Å; Y1165-Q1214 HydrophobicContact CE2-CB 3.93Å; Y1165-Q1214 HydrophobicContact CE2-CG 4.49Å |
| 1166 | E | 95 | Very high | 89.5 | Confident | 11 Ų | 11 | 39.8 Ų | 39.8 | 5% | 0.051 | 23% | 0.228 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -78.7 | 106.9 | 159.6 | 172.8 | 172.2 | -161.9 | 0 | 0 | 107.4 | R1177 L1179 L1188 W1192 K1209 | E1166-R1177 HydrophobicContact CB-CB 4.35Å; E1166-R1177 PolarHBondContact N-O 2.87Å; E1166-R1177 PolarHBondContact O-N 3.08Å; E1166-R1177 IonicContact OE2-CZ 2.79Å; E1166-R1177 VanDerWaalsContact OE2-CZ 3.27Å; E1166-R1177 IonicContact OE2-NE 2.68Å; E1166-R1177 PolarHBondContact OE2-NE 2.77Å; E1166-R1177 IonicContact OE2-NH2 3.12Å; E1166-R1177 PolarHBondContact OE2-NH2 3.44Å; E1166-L1179 HydrophobicContact CB-CD1 3.85Å; E1166-L1179 VanDerWaalsContact N-CD1 3.26Å; E1166-L1188 HydrophobicContact CB-CD2 4.06Å; E1166-L1188 HydrophobicContact CG-CD2 4.39Å; E1166-W1192 HydrophobicContact CG-CZ2 4.09Å; E1166-W1192 PolarHBondContact OE1-NE1 2.95Å; E1166-K1209 IonicContact OE1-NZ 2.63Å; E1166-K1209 PolarHBondContact OE1-NZ 3.27Å |
| 1167 | H | 93.8 | Very high | 90 | Very high | 7 Ų | 7 | 36 Ų | 36 | 3% | 0.032 | 21% | 0.209 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -87.5 | 134.1 | 166.9 | -75.7 | -155 | 0 | 0 | 0 | 109.6 | W1002 Y1165 I1174 S1175 K1209 R1210 V1212 Q1214 | W1002-H1167 HydrophobicContact CZ3-CB 3.77Å; Y1165-H1167 PolarHBondContact O-N 2.99Å; H1167-I1174 HydrophobicContact CB-CG2 3.67Å; H1167-I1174 WeakPolarHBondContact ND1-CG2 3.36Å; H1167-S1175 CarbonylContact C-O 3.51Å; H1167-S1175 WeakPolarHBondContact CA-O 3.27Å; H1167-K1209 VanDerWaalsContact O-CA 3.26Å; H1167-K1209 WeakPolarHBondContact O-CA 3.39Å; H1167-R1210 PolarHBondContact N-O 2.74Å; H1167-R1210 PolarHBondContact O-N 2.73Å; H1167-V1212 HydrophobicContact CB-CG2 4.11Å; H1167-Q1214 PolarHBondContact CE1-NE2 3.22Å; H1167-Q1214 PolarHBondContact NE2-NE2 2.84Å |
| 1168 | T | 93.7 | Very high | 90.5 | Very high | 15 Ų | 15 | 37.1 Ų | 37.1 | 9% | 0.092 | 21% | 0.214 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.3 | 128.8 | 171.1 | -50.4 | 0 | 0 | 0 | 0 | 109.3 | E1170 I1174 S1175 Q1208 K1209 | T1168-E1170 HydrophobicContact CG2-CG 4.36Å; T1168-E1170 PolarHBondContact O-N 3.49Å; T1168-I1174 WeakPolarHBondContact O-CA 3.41Å; T1168-S1175 PolarHBondContact N-O 2.87Å; T1168-S1175 PolarHBondContact O-N 2.85Å; T1168-Q1208 HydrophobicContact CG2-CG 4.47Å; T1168-K1209 HydrophobicContact CG2-CG 3.97Å; T1168-K1209 PolarHBondContact OG1-NZ 3.1Å |
| 1169 | L | 91.7 | Very high | 90.9 | Very high | 47 Ų | 47 | 33.9 Ų | 33.9 | 25% | 0.246 | 19% | 0.191 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -76.6 | 113 | 174.7 | 178.1 | 61.3 | 0 | 0 | 0 | 109.9 | W1002 L1005 Q1208 | W1002-L1169 HydrophobicContact CH2-CB 3.96Å; W1002-L1169 HydrophobicContact CZ2-CB 3.8Å; W1002-L1169 HydrophobicContact CZ2-CD2 4.24Å; L1005-L1169 HydrophobicContact CD1-CD1 3.39Å; L1169-Q1208 HydrophobicContact CB-CG 3.92Å; L1169-Q1208 WeakPolarHBondContact CB-O 3.36Å; L1169-Q1208 PolarHBondContact N-O 3.44Å; L1169-Q1208 WeakPolarHBondContact O-CG 3.48Å; L1169-Q1208 PolarHBondContact O-NE2 3.33Å |
| 1170 | E | 88 | Confident | 91 | Very high | 86 Ų | 86 | 35 Ų | 35 | 40% | 0.402 | 20% | 0.198 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.5 | 93.4 | 179.3 | -74.2 | 173.8 | -144.8 | 0 | 0 | 107.9 | Y1008 T1168 S1172 S1173 S1175 | Y1008-E1170 WeakPolarHBondContact OH-CB 3.47Å; Y1008-E1170 VanDerWaalsContact OH-CD 3.31Å; Y1008-E1170 PolarHBondContact OH-OE2 3.45Å; T1168-E1170 HydrophobicContact CG2-CG 4.36Å; T1168-E1170 PolarHBondContact O-N 3.49Å; E1170-S1172 PolarHBondContact O-N 3.5Å; E1170-S1173 CarbonylContact C-O 3.57Å; E1170-S1173 PolarHBondContact N-O 2.88Å; E1170-S1173 PolarHBondContact O-N 3.34Å; E1170-S1173 VanDerWaalsContact O-N 3.07Å; E1170-S1173 VanDerWaalsContact O-O 3.12Å; E1170-S1173 PolarHBondContact O-OG 2.66Å; E1170-S1175 VanDerWaalsContact CD-CB 3.42Å; E1170-S1175 WeakPolarHBondContact OE1-CB 3.41Å; E1170-S1175 PolarHBondContact OE1-OG 2.84Å; E1170-S1175 VanDerWaalsContact OE1-OG 3.11Å |
| 1171 | G | 84.2 | Confident | 91.1 | Very high | 74 Ų | 74 | 33.8 Ų | 33.8 | 76% | 0.763 | 21% | 0.205 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 64 | -113.9 | -176.6 | 0 | 0 | 0 | 0 | 0 | 112.8 | | |
| 1172 | S | 83.6 | Confident | 91.2 | Very high | 96 Ų | 96 | 35.9 Ų | 35.9 | 67% | 0.671 | 22% | 0.224 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -97.7 | 14.1 | 177.4 | 54 | 0 | 0 | 0 | 0 | 113.5 | E1170 | E1170-S1172 PolarHBondContact O-N 3.5Š|
| 1173 | S | 88.4 | Confident | 91.2 | Very high | 25 Ų | 25 | 38.4 Ų | 38.4 | 18% | 0.175 | 24% | 0.235 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -141.5 | 163.9 | -171.4 | 54.4 | 0 | 0 | 0 | 0 | 112.2 | S1006 E1170 | S1006-S1173 WeakPolarHBondContact O-CA 3.34Å; E1170-S1173 CarbonylContact C-O 3.57Å; E1170-S1173 PolarHBondContact N-O 2.88Å; E1170-S1173 PolarHBondContact O-N 3.34Å; E1170-S1173 VanDerWaalsContact O-N 3.07Å; E1170-S1173 VanDerWaalsContact O-O 3.12Å; E1170-S1173 PolarHBondContact O-OG 2.66Å |
| 1174 | I | 91.2 | Very high | 91.3 | Very high | 2 Ų | 2 | 39.1 Ų | 39.1 | 1% | 0.01 | 24% | 0.24 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.2 | 118.6 | -178 | -63.5 | 171.4 | 0 | 0 | 0 | 110.1 | W1002 L1005 S1006 I1007 Y1008 H1167 T1168 | W1002-I1174 HydrophobicContact CD2-CD1 4.29Å; W1002-I1174 HydrophobicContact CE3-CD1 3.62Å; W1002-I1174 HydrophobicContact CE3-CG1 4.34Å; W1002-I1174 HydrophobicContact CZ3-CD1 4.12Å; W1002-I1174 HydrophobicContact CZ3-CG1 4.43Å; W1002-I1174 WeakPolarHBondContact O-CD1 3.33Å; L1005-I1174 HydrophobicContact CB-CD1 3.86Å; L1005-I1174 HydrophobicContact CB-CG1 3.9Å; L1005-I1174 HydrophobicContact CD1-CD1 4.06Å; L1005-I1174 HydrophobicContact CD1-CG1 3.92Å; L1005-I1174 HydrophobicContact CG-CD1 4.44Å; S1006-I1174 PolarHBondContact O-N 2.87Å; I1007-I1174 CarbonylContact C-O 3.57Å; I1007-I1174 WeakPolarHBondContact CA-O 2.77Å; I1007-I1174 HydrophobicContact CG1-CB 4.11Å; I1007-I1174 HydrophobicContact CG1-CD1 4.33Å; I1007-I1174 HydrophobicContact CG1-CG2 4.43Å; Y1008-I1174 VanDerWaalsContact CD1-O 3.3Å; Y1008-I1174 WeakPolarHBondContact CD1-O 3.48Å; Y1008-I1174 PolarHBondContact N-O 3.4Å; H1167-I1174 HydrophobicContact CB-CG2 3.67Å; H1167-I1174 WeakPolarHBondContact ND1-CG2 3.36Å; T1168-I1174 WeakPolarHBondContact O-CA 3.41Å |
| 1175 | S | 92.8 | Very high | 91.3 | Very high | 10 Ų | 10 | 39.1 Ų | 39.1 | 7% | 0.07 | 24% | 0.24 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -79 | 120.6 | 165.5 | 177 | 0 | 0 | 0 | 0 | 109.2 | V1010 H1167 T1168 E1170 | V1010-S1175 WeakPolarHBondContact CG1-OG 3.44Å; V1010-S1175 WeakPolarHBondContact CG2-OG 3.19Å; H1167-S1175 CarbonylContact C-O 3.51Å; H1167-S1175 WeakPolarHBondContact CA-O 3.27Å; T1168-S1175 PolarHBondContact N-O 2.87Å; T1168-S1175 PolarHBondContact O-N 2.85Å; E1170-S1175 VanDerWaalsContact CD-CB 3.42Å; E1170-S1175 WeakPolarHBondContact OE1-CB 3.41Å; E1170-S1175 PolarHBondContact OE1-OG 2.84Å; E1170-S1175 VanDerWaalsContact OE1-OG 3.11Å |
| 1176 | A | 92.3 | Very high | 91.3 | Very high | 4 Ų | 4 | 38.3 Ų | 38.3 | 3% | 0.033 | 24% | 0.237 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.7 | 115.6 | 179.9 | 0 | 0 | 0 | 0 | 0 | 111 | I1007 Y1008 D1009 V1010 Y1165 | I1007-A1176 HydrophobicContact CG2-CB 3.67Å; Y1008-A1176 PolarHBondContact O-N 3.07Å; D1009-A1176 WeakPolarHBondContact CA-O 3.25Å; V1010-A1176 WeakPolarHBondContact CG2-O 3.44Å; V1010-A1176 PolarHBondContact N-O 3.21Å; Y1165-A1176 HydrophobicContact CD1-CB 4.24Å |
| 1177 | R | 93.1 | Very high | 91.1 | Very high | 25 Ų | 25 | 40.4 Ų | 40.4 | 9% | 0.094 | 25% | 0.248 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.6 | 116.8 | 172.3 | 179.6 | -177.1 | 79.8 | 91.8 | -9.1 | 109.4 | V1010 L1014 Y1165 E1166 L1179 E1183 | V1010-R1177 HydrophobicContact CG2-CB 4Å; L1014-R1177 HydrophobicContact CD1-CB 4.46Å; L1014-R1177 HydrophobicContact CD1-CG 3.76Å; Y1165-R1177 CarbonylContact C-O 3.54Å; Y1165-R1177 VanDerWaalsContact CA-O 3.3Å; Y1165-R1177 WeakPolarHBondContact CA-O 3.3Å; E1166-R1177 HydrophobicContact CB-CB 4.35Å; E1166-R1177 PolarHBondContact N-O 2.87Å; E1166-R1177 PolarHBondContact O-N 3.08Å; E1166-R1177 IonicContact OE2-CZ 2.79Å; E1166-R1177 VanDerWaalsContact OE2-CZ 3.27Å; E1166-R1177 IonicContact OE2-NE 2.68Å; E1166-R1177 PolarHBondContact OE2-NE 2.77Å; E1166-R1177 IonicContact OE2-NH2 3.12Å; E1166-R1177 PolarHBondContact OE2-NH2 3.44Å; R1177-L1179 PolarHBondContact O-N 2.87Å; R1177-E1183 IonicContact CZ-OE1 2.66Å; R1177-E1183 VanDerWaalsContact NH1-CD 3.35Å; R1177-E1183 IonicContact NH1-OE1 3.89Å; R1177-E1183 PolarHBondContact NH1-OE1 3.08Å; R1177-E1183 IonicContact NH1-OE2 3.15Å; R1177-E1183 PolarHBondContact NH1-OE2 3.43Å; R1177-E1183 VanDerWaalsContact NH1-OE2 3.12Å; R1177-E1183 IonicContact NH2-OE1 3.34Å; R1177-E1183 PolarHBondContact NH2-OE1 3.13Å; R1177-E1183 VanDerWaalsContact NH2-OE1 3.14Å |
| 1178 | K | 93 | Very high | 91.1 | Very high | 53 Ų | 53 | 40.6 Ų | 40.6 | 23% | 0.23 | 25% | 0.249 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -65.5 | 131.4 | 171.8 | -172 | 175 | 168.5 | 179.5 | 0 | 109.8 | T1011 A1163 Y1165 N1216 | T1011-K1178 HydrophobicContact CG2-CB 3.85Å; T1011-K1178 WeakPolarHBondContact OG1-CB 3.39Å; T1011-K1178 PolarHBondContact OG1-N 2.76Å; A1163-K1178 HydrophobicContact CB-CD 4.29Å; A1163-K1178 HydrophobicContact CB-CG 4.07Å; Y1165-K1178 HydrophobicContact CD1-CB 3.84Å; Y1165-K1178 HydrophobicContact CD1-CG 4.46Å; Y1165-K1178 HydrophobicContact CE1-CB 3.57Å; Y1165-K1178 HydrophobicContact CE1-CD 4.37Å; Y1165-K1178 HydrophobicContact CE1-CG 4.01Å; Y1165-K1178 HydrophobicContact CE2-CG 4.5Å; K1178-N1216 PolarHBondContact NZ-OD1 2.92Å |
| 1179 | L | 93.3 | Very high | 91 | Very high | 8 Ų | 8 | 40.1 Ų | 40.1 | 4% | 0.042 | 25% | 0.246 | C | C | . | . | P | Polyproline II helix | trans | -76.2 | 142.2 | 171.1 | -84.2 | 65 | 0 | 0 | 0 | 109.7 | L1164 E1166 R1177 E1183 P1185 L1188 | L1164-L1179 HydrophobicContact CB-CB 4.32Å; L1164-L1179 HydrophobicContact CB-CD2 4.27Å; L1164-L1179 PolarHBondContact O-N 3.24Å; E1166-L1179 HydrophobicContact CB-CD1 3.85Å; E1166-L1179 VanDerWaalsContact N-CD1 3.26Å; R1177-L1179 PolarHBondContact O-N 2.87Å; L1179-E1183 WeakPolarHBondContact CA-OE2 3.43Å; L1179-P1185 HydrophobicContact CD2-CB 4.02Å; L1179-L1188 HydrophobicContact CD1-CD2 4.01Å; L1179-L1188 HydrophobicContact CD2-CD2 3.97Å; L1179-L1188 HydrophobicContact CG-CD2 4.24Å |
| 1180 | S | 90.2 | Very high | 90.9 | Very high | 45 Ų | 45 | 37.9 Ų | 37.9 | 32% | 0.315 | 23% | 0.234 | S | C | . | . | P | Polyproline II helix | trans | -67.1 | 158.3 | 171.6 | 104.5 | 0 | 0 | 0 | 0 | 111 | S1142 T1182 E1183 | S1142-S1180 VanDerWaalsContact CB-O 3.31Å; S1142-S1180 WeakPolarHBondContact CB-O 3.49Å; S1142-S1180 PolarHBondContact OG-O 3.22Å; S1180-T1182 PolarHBondContact O-N 2.86Å; S1180-T1182 PolarHBondContact OG-N 2.92Å; S1180-T1182 PolarHBondContact OG-OG1 2.93Å; S1180-E1183 PolarHBondContact N-OE2 3.27Å; S1180-E1183 PolarHBondContact O-N 2.82Å; S1180-E1183 PolarHBondContact OG-N 3.23Å |
| 1181 | T | 88 | Confident | 91 | Very high | 109 Ų | 109 | 34 Ų | 34 | 67% | 0.669 | 22% | 0.216 | S | C | * | . | S | Bend | trans | -65.4 | -17.3 | 175 | 49.7 | 0 | 0 | 0 | 0 | 113.5 | T1141 | T1141-T1181 WeakPolarHBondContact CB-O 3.42Š|
| 1182 | T | 89 | Confident | 91.4 | Very high | 108 Ų | 108 | 30.9 Ų | 30.9 | 66% | 0.663 | 18% | 0.182 | S | C | * | . | S | Bend | trans | -102.5 | -18.6 | 179.6 | 57.7 | 0 | 0 | 0 | 0 | 114 | S1180 | S1180-T1182 PolarHBondContact O-N 2.86Å; S1180-T1182 PolarHBondContact OG-N 2.92Å; S1180-T1182 PolarHBondContact OG-OG1 2.93Å |
| 1183 | E | 92.9 | Very high | 91.8 | Very high | 58 Ų | 58 | 26.3 Ų | 26.3 | 27% | 0.271 | 15% | 0.15 | S | C | . | . | | | trans | -62.2 | 138.8 | 171.8 | -83.3 | -179.8 | 102.5 | 0 | 0 | 110.8 | T1141 S1142 R1177 L1179 S1180 | T1141-E1183 CarbonylContact C-O 3.59Å; S1142-E1183 WeakPolarHBondContact CB-O 3.47Å; S1142-E1183 PolarHBondContact N-O 3.14Å; S1142-E1183 PolarHBondContact OG-O 3.45Å; R1177-E1183 IonicContact CZ-OE1 2.66Å; R1177-E1183 VanDerWaalsContact NH1-CD 3.35Å; R1177-E1183 IonicContact NH1-OE1 3.89Å; R1177-E1183 PolarHBondContact NH1-OE1 3.08Å; R1177-E1183 IonicContact NH1-OE2 3.15Å; R1177-E1183 PolarHBondContact NH1-OE2 3.43Å; R1177-E1183 VanDerWaalsContact NH1-OE2 3.12Å; R1177-E1183 IonicContact NH2-OE1 3.34Å; R1177-E1183 PolarHBondContact NH2-OE1 3.13Å; R1177-E1183 VanDerWaalsContact NH2-OE1 3.14Å; L1179-E1183 WeakPolarHBondContact CA-OE2 3.43Å; S1180-E1183 PolarHBondContact N-OE2 3.27Å; S1180-E1183 PolarHBondContact O-N 2.82Å; S1180-E1183 PolarHBondContact OG-N 3.23Å |
| 1184 | C | 94.3 | Very high | 91.7 | Very high | 21 Ų | 21 | 28.9 Ų | 28.9 | 14% | 0.142 | 16% | 0.156 | C | C | . | . | | | trans | -97.2 | 117 | 174.3 | -62.2 | 0 | 0 | 0 | 0 | 110.1 | S1138 T1140 L1186 L1187 L1188 | S1138-C1184 VanDerWaalsContact O-CB 3.28Å; S1138-C1184 WeakPolarHBondContact O-CB 3.37Å; S1138-C1184 PolarHBondContact O-SG 3.2Å; T1140-C1184 WeakPolarHBondContact O-CA 3.45Å; T1140-C1184 WeakPolarHBondContact O-CB 3.4Å; T1140-C1184 PolarHBondContact O-SG 2.63Å; C1184-L1186 VanDerWaalsContact C-N 3.25Å; C1184-L1186 PolarHBondContact O-N 2.95Å; C1184-L1187 HydrophobicContact CB-CB 3.99Å; C1184-L1187 WeakPolarHBondContact O-CA 3.49Å; C1184-L1187 VanDerWaalsContact O-CB 3.32Å; C1184-L1187 WeakPolarHBondContact O-CB 3.47Å; C1184-L1187 PolarHBondContact O-N 3.15Å; C1184-L1188 PolarHBondContact O-N 2.97Å |
| 1185 | P | 94.8 | Very high | 91.6 | Very high | 0 Ų | 0 | 32.2 Ų | 32.2 | 0% | 0 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -66.4 | -22.3 | -174.7 | 25.9 | -35.3 | 0 | 0 | 0 | 114 | L1066 T1140 A1145 L1164 L1179 L1188 L1189 I1211 | L1066-P1185 HydrophobicContact CD2-CB 3.73Å; L1066-P1185 HydrophobicContact CD2-CG 3.91Å; T1140-P1185 WeakPolarHBondContact O-CD 3.36Å; A1145-P1185 HydrophobicContact CB-CG 4.11Å; L1164-P1185 HydrophobicContact CD1-CB 4.33Å; L1164-P1185 HydrophobicContact CD1-CG 4.1Å; L1179-P1185 HydrophobicContact CD2-CB 4.02Å; P1185-L1188 PolarHBondContact O-N 3.45Å; P1185-L1189 PolarHBondContact O-N 2.88Å; P1185-I1211 HydrophobicContact CB-CD1 3.65Å |
| 1186 | L | 93.7 | Very high | 91.4 | Very high | 1 Ų | 1 | 32.1 Ų | 32.1 | 1% | 0.005 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -69.7 | -33.8 | 170.7 | -164.2 | 69.8 | 0 | 0 | 0 | 112.2 | L1053 V1136 C1184 L1188 L1189 L1190 | L1053-L1186 HydrophobicContact CD1-CD1 4.11Å; L1053-L1186 HydrophobicContact CD1-CD2 3.85Å; L1053-L1186 HydrophobicContact CD1-CG 4.21Å; V1136-L1186 HydrophobicContact CG2-CB 4.13Å; V1136-L1186 HydrophobicContact CG2-CD1 4.13Å; V1136-L1186 HydrophobicContact CG2-CD2 4.47Å; V1136-L1186 HydrophobicContact CG2-CG 4.48Å; C1184-L1186 VanDerWaalsContact C-N 3.25Å; C1184-L1186 PolarHBondContact O-N 2.95Å; L1186-L1188 VanDerWaalsContact C-N 3.32Å; L1186-L1189 PolarHBondContact O-N 2.81Å; L1186-L1190 PolarHBondContact O-N 2.86Å; L1186-L1190 VanDerWaalsContact O-N 3.08Å |
| 1187 | L | 90.8 | Very high | 90.8 | Very high | 54 Ų | 54 | 37.2 Ų | 37.2 | 28% | 0.283 | 20% | 0.203 | S | C | . | . | H | α-helix | trans | -70.9 | -30.8 | 175.7 | -159.4 | 72.8 | 0 | 0 | 0 | 111.4 | L1026 C1184 L1190 N1191 | L1026-L1187 HydrophobicContact CB-CD2 4.39Å; L1026-L1187 HydrophobicContact CB-CG 4.28Å; L1026-L1187 HydrophobicContact CD2-CD1 3.5Å; L1026-L1187 VanDerWaalsContact CD2-CD1 3.5Å; L1026-L1187 HydrophobicContact CD2-CG 3.92Å; C1184-L1187 HydrophobicContact CB-CB 3.99Å; C1184-L1187 WeakPolarHBondContact O-CA 3.49Å; C1184-L1187 VanDerWaalsContact O-CB 3.32Å; C1184-L1187 WeakPolarHBondContact O-CB 3.47Å; C1184-L1187 PolarHBondContact O-N 3.15Å; L1187-L1190 HydrophobicContact CD1-CD1 4.31Å; L1187-L1190 WeakPolarHBondContact O-CB 3.45Å; L1187-L1190 PolarHBondContact O-N 2.96Å; L1187-N1191 PolarHBondContact O-N 3.33Å |
| 1188 | L | 93.2 | Very high | 90.5 | Very high | 12 Ų | 12 | 39.4 Ų | 39.4 | 6% | 0.063 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -64.9 | -44.7 | 171.4 | 179.2 | 58.1 | 0 | 0 | 0 | 112 | E1166 L1179 C1184 P1185 L1186 L1190 N1191 W1192 I1211 | E1166-L1188 HydrophobicContact CB-CD2 4.06Å; E1166-L1188 HydrophobicContact CG-CD2 4.39Å; L1179-L1188 HydrophobicContact CD1-CD2 4.01Å; L1179-L1188 HydrophobicContact CD2-CD2 3.97Å; L1179-L1188 HydrophobicContact CG-CD2 4.24Å; C1184-L1188 PolarHBondContact O-N 2.97Å; P1185-L1188 PolarHBondContact O-N 3.45Å; L1186-L1188 VanDerWaalsContact C-N 3.32Å; L1188-L1190 VanDerWaalsContact C-N 3.29Å; L1188-L1190 PolarHBondContact O-N 2.71Å; L1188-N1191 WeakPolarHBondContact O-CA 3.45Å; L1188-N1191 WeakPolarHBondContact O-CB 3.31Å; L1188-N1191 PolarHBondContact O-N 3.39Å; L1188-W1192 HydrophobicContact CD2-CZ2 4.28Å; L1188-W1192 HydrophobicContact CG-CZ2 4.23Å; L1188-W1192 PolarHBondContact O-N 2.83Å; L1188-I1211 HydrophobicContact CD2-CD1 4.12Å |
| 1189 | L | 92.3 | Very high | 90.3 | Very high | 4 Ų | 4 | 42.4 Ų | 42.4 | 2% | 0.021 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -63.1 | -35.6 | 173.7 | -94.3 | 66 | 0 | 0 | 0 | 112 | F1044 L1066 P1185 L1186 N1191 W1192 V1193 I1211 | F1044-L1189 HydrophobicContact CE2-CB 4.19Å; F1044-L1189 HydrophobicContact CE2-CD2 3.92Å; F1044-L1189 HydrophobicContact CZ-CD2 4.31Å; L1066-L1189 HydrophobicContact CD1-CD1 3.73Å; L1066-L1189 HydrophobicContact CD1-CD2 3.54Å; L1066-L1189 HydrophobicContact CD1-CG 4.3Å; P1185-L1189 PolarHBondContact O-N 2.88Å; L1186-L1189 PolarHBondContact O-N 2.81Å; L1189-N1191 VanDerWaalsContact C-N 3.3Å; L1189-N1191 PolarHBondContact O-N 3.44Å; L1189-W1192 HydrophobicContact CD1-CD2 4.4Å; L1189-W1192 HydrophobicContact CD1-CE3 3.93Å; L1189-W1192 HydrophobicContact CD1-CH2 3.83Å; L1189-W1192 HydrophobicContact CD1-CZ2 4.28Å; L1189-W1192 HydrophobicContact CD1-CZ3 3.64Å; L1189-W1192 HydrophobicContact CG-CD2 4.46Å; L1189-W1192 HydrophobicContact CG-CE3 3.82Å; L1189-W1192 HydrophobicContact CG-CZ3 3.89Å; L1189-W1192 WeakPolarHBondContact O-CB 3.49Å; L1189-W1192 PolarHBondContact O-N 2.86Å; L1189-V1193 WeakPolarHBondContact O-CG2 3.3Å; L1189-V1193 PolarHBondContact O-N 2.79Å; L1189-I1211 HydrophobicContact CD1-CD1 3.46Å; L1189-I1211 VanDerWaalsContact CD1-CD1 3.46Å; L1189-I1211 HydrophobicContact CD1-CG1 4.05Å |
| 1190 | L | 90.2 | Very high | 90 | Very high | 0 Ų | 0 | 47.3 Ų | 47.3 | 0% | 0 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -63.7 | -32.8 | 170.4 | -80.7 | 159 | 0 | 0 | 0 | 112.7 | L1026 W1040 L1053 L1062 L1186 L1187 L1188 V1193 R1194 | L1026-L1190 HydrophobicContact CD2-CB 4.22Å; W1040-L1190 HydrophobicContact CB-CD2 4.34Å; W1040-L1190 HydrophobicContact CE3-CD2 4.33Å; L1053-L1190 HydrophobicContact CD2-CD2 3.91Å; L1053-L1190 HydrophobicContact CD2-CG 4.32Å; L1062-L1190 HydrophobicContact CD1-CD1 3.61Å; L1062-L1190 HydrophobicContact CD1-CD2 4.05Å; L1062-L1190 HydrophobicContact CD1-CG 4.46Å; L1186-L1190 PolarHBondContact O-N 2.86Å; L1186-L1190 VanDerWaalsContact O-N 3.08Å; L1187-L1190 HydrophobicContact CD1-CD1 4.31Å; L1187-L1190 WeakPolarHBondContact O-CB 3.45Å; L1187-L1190 PolarHBondContact O-N 2.96Å; L1188-L1190 VanDerWaalsContact C-N 3.29Å; L1188-L1190 PolarHBondContact O-N 2.71Å; L1190-V1193 PolarHBondContact O-N 2.57Å; L1190-R1194 WeakPolarHBondContact O-CB 3.43Å; L1190-R1194 PolarHBondContact O-N 2.86Å |
| 1191 | N | 90.3 | Very high | 90 | Very high | 4 Ų | 4 | 48.7 Ų | 48.7 | 2% | 0.021 | 25% | 0.25 | C | S | . | . | H | α-helix | trans | -67.7 | -38 | 171.8 | -160.5 | 38.4 | 0 | 0 | 0 | 111.8 | E1023 L1026 L1187 L1188 L1189 V1193 R1194 I1195 | E1023-N1191 PolarHBondContact O-ND2 3.49Å; L1026-N1191 HydrophobicContact CD1-CB 3.84Å; L1026-N1191 WeakPolarHBondContact CD1-OD1 3.34Å; L1187-N1191 PolarHBondContact O-N 3.33Å; L1188-N1191 WeakPolarHBondContact O-CA 3.45Å; L1188-N1191 WeakPolarHBondContact O-CB 3.31Å; L1188-N1191 PolarHBondContact O-N 3.39Å; L1189-N1191 VanDerWaalsContact C-N 3.3Å; L1189-N1191 PolarHBondContact O-N 3.44Å; N1191-V1193 VanDerWaalsContact C-N 3.32Å; N1191-V1193 PolarHBondContact O-N 3.38Å; N1191-R1194 PolarHBondContact O-N 2.84Å; N1191-R1194 VanDerWaalsContact OD1-CZ 3.26Å; N1191-R1194 PolarHBondContact OD1-NE 2.69Å; N1191-R1194 PolarHBondContact OD1-NH2 2.97Å; N1191-I1195 WeakPolarHBondContact O-CD1 3.41Å; N1191-I1195 VanDerWaalsContact O-CG1 3.29Å; N1191-I1195 WeakPolarHBondContact O-CG1 3.39Å; N1191-I1195 PolarHBondContact O-N 3.09Å |
| 1192 | W | 92.6 | Very high | 90.2 | Very high | 9 Ų | 9 | 43.5 Ų | 43.5 | 3% | 0.034 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -62.6 | -39.3 | 172.5 | -56.4 | -11.7 | 0 | 0 | 0 | 111.7 | E1166 L1188 L1189 S1196 L1205 L1206 K1209 I1211 | E1166-W1192 HydrophobicContact CG-CZ2 4.09Å; E1166-W1192 PolarHBondContact OE1-NE1 2.95Å; L1188-W1192 HydrophobicContact CD2-CZ2 4.28Å; L1188-W1192 HydrophobicContact CG-CZ2 4.23Å; L1188-W1192 PolarHBondContact O-N 2.83Å; L1189-W1192 HydrophobicContact CD1-CD2 4.4Å; L1189-W1192 HydrophobicContact CD1-CE3 3.93Å; L1189-W1192 HydrophobicContact CD1-CH2 3.83Å; L1189-W1192 HydrophobicContact CD1-CZ2 4.28Å; L1189-W1192 HydrophobicContact CD1-CZ3 3.64Å; L1189-W1192 HydrophobicContact CG-CD2 4.46Å; L1189-W1192 HydrophobicContact CG-CE3 3.82Å; L1189-W1192 HydrophobicContact CG-CZ3 3.89Å; L1189-W1192 WeakPolarHBondContact O-CB 3.49Å; L1189-W1192 PolarHBondContact O-N 2.86Å; W1192-S1196 PolarHBondContact O-N 2.89Å; W1192-S1196 PolarHBondContact O-OG 2.93Å; W1192-L1205 HydrophobicContact CB-CD1 4.41Å; W1192-L1206 HydrophobicContact CE3-CD2 4.22Å; W1192-L1206 HydrophobicContact CZ3-CD2 4.19Å; W1192-K1209 HydrophobicContact CD2-CB 4.37Å; W1192-K1209 HydrophobicContact CD2-CD 4.07Å; W1192-K1209 HydrophobicContact CE3-CB 4.29Å; W1192-K1209 HydrophobicContact CG-CD 4.27Å; W1192-K1209 HydrophobicContact CH2-CB 3.7Å; W1192-K1209 HydrophobicContact CZ2-CB 3.78Å; W1192-K1209 HydrophobicContact CZ2-CD 4.18Å; W1192-K1209 HydrophobicContact CZ3-CB 3.96Å; W1192-I1211 HydrophobicContact CH2-CG1 3.94Å; W1192-I1211 HydrophobicContact CZ2-CG1 4.3Å |
| 1193 | V | 91.4 | Very high | 90.3 | Very high | 0 Ų | 0 | 39.9 Ų | 39.9 | 0% | 0 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -64 | -45.9 | 171.6 | 175.9 | 0 | 0 | 0 | 0 | 111.3 | W1040 I1043 F1044 L1189 L1190 N1191 I1195 S1196 F1202 | W1040-V1193 HydrophobicContact CB-CG1 3.68Å; W1040-V1193 HydrophobicContact CG-CG1 3.98Å; I1043-V1193 HydrophobicContact CB-CG1 3.99Å; I1043-V1193 HydrophobicContact CG2-CG1 3.9Å; F1044-V1193 HydrophobicContact CB-CG2 4.19Å; F1044-V1193 HydrophobicContact CD2-CG2 4.04Å; L1189-V1193 WeakPolarHBondContact O-CG2 3.3Å; L1189-V1193 PolarHBondContact O-N 2.79Å; L1190-V1193 PolarHBondContact O-N 2.57Å; N1191-V1193 VanDerWaalsContact C-N 3.32Å; N1191-V1193 PolarHBondContact O-N 3.38Å; V1193-I1195 VanDerWaalsContact C-N 3.26Å; V1193-I1195 PolarHBondContact O-N 2.83Å; V1193-S1196 WeakPolarHBondContact O-CA 3.26Å; V1193-S1196 VanDerWaalsContact O-CB 3.27Å; V1193-S1196 WeakPolarHBondContact O-CB 3.37Å; V1193-S1196 PolarHBondContact O-N 3.36Å; V1193-S1196 VanDerWaalsContact O-O 3.06Å; V1193-F1202 HydrophobicContact CG2-CD2 3.72Å; V1193-F1202 HydrophobicContact CG2-CE1 4.29Å; V1193-F1202 HydrophobicContact CG2-CE2 3.37Å; V1193-F1202 HydrophobicContact CG2-CG 4.33Å; V1193-F1202 HydrophobicContact CG2-CZ 3.68Å |
| 1194 | R | 87.5 | Confident | 90.2 | Very high | 80 Ų | 80 | 42 Ų | 42 | 30% | 0.302 | 21% | 0.205 | S | C | . | . | H | α-helix | trans | -59.1 | -35.3 | 178.9 | -177.4 | -173.1 | 70.7 | 82 | 2.4 | 113.2 | E1023 L1026 W1040 L1190 N1191 S1196 | E1023-R1194 PolarHBondContact O-NH2 3.31Å; L1026-R1194 HydrophobicContact CD1-CB 4.33Å; W1040-R1194 HydrophobicContact CH2-CB 4.16Å; W1040-R1194 HydrophobicContact CH2-CG 3.85Å; W1040-R1194 HydrophobicContact CZ2-CB 3.98Å; W1040-R1194 HydrophobicContact CZ2-CG 3.59Å; L1190-R1194 WeakPolarHBondContact O-CB 3.43Å; L1190-R1194 PolarHBondContact O-N 2.86Å; N1191-R1194 PolarHBondContact O-N 2.84Å; N1191-R1194 VanDerWaalsContact OD1-CZ 3.26Å; N1191-R1194 PolarHBondContact OD1-NE 2.69Å; N1191-R1194 PolarHBondContact OD1-NH2 2.97Å; R1194-S1196 VanDerWaalsContact C-N 3.29Å |
| 1195 | I | 88.6 | Confident | 90 | Very high | 72 Ų | 72 | 42.2 Ų | 42.2 | 37% | 0.369 | 20% | 0.204 | S | C | . | . | H | α-helix | trans | -80.6 | -14.2 | 177.6 | -63.7 | 163.7 | 0 | 0 | 0 | 111.2 | N1191 V1193 Q1201 | N1191-I1195 WeakPolarHBondContact O-CD1 3.41Å; N1191-I1195 VanDerWaalsContact O-CG1 3.29Å; N1191-I1195 WeakPolarHBondContact O-CG1 3.39Å; N1191-I1195 PolarHBondContact O-N 3.09Å; V1193-I1195 VanDerWaalsContact C-N 3.26Å; V1193-I1195 PolarHBondContact O-N 2.83Å; I1195-Q1201 PolarHBondContact O-NE2 2.79Å |
| 1196 | S | 88.2 | Confident | 89.9 | Confident | 8 Ų | 8 | 43 Ų | 43 | 6% | 0.056 | 21% | 0.209 | C | C | . | . | | | trans | -84.5 | 126.1 | 172.8 | -55.5 | 0 | 0 | 0 | 0 | 111.1 | W1192 V1193 R1194 N1198 F1202 L1205 | W1192-S1196 PolarHBondContact O-N 2.89Å; W1192-S1196 PolarHBondContact O-OG 2.93Å; V1193-S1196 WeakPolarHBondContact O-CA 3.26Å; V1193-S1196 VanDerWaalsContact O-CB 3.27Å; V1193-S1196 WeakPolarHBondContact O-CB 3.37Å; V1193-S1196 PolarHBondContact O-N 3.36Å; V1193-S1196 VanDerWaalsContact O-O 3.06Å; R1194-S1196 VanDerWaalsContact C-N 3.29Å; S1196-N1198 VanDerWaalsContact C-N 3.34Å; S1196-F1202 WeakPolarHBondContact OG-CA 3.46Å; S1196-F1202 WeakPolarHBondContact OG-CB 3.42Å; S1196-F1202 PolarHBondContact OG-N 3.25Å; S1196-L1205 WeakPolarHBondContact OG-CD1 3.43Å |
| 1197 | T | 80.1 | Confident | 89.6 | Confident | 111 Ų | 111 | 48.6 Ų | 48.6 | 68% | 0.681 | 23% | 0.233 | S | C | * | . | S | Bend | trans | -77.2 | -22.5 | 172.9 | 61.3 | 0 | 0 | 0 | 0 | 112.9 | Q1201 | T1197-Q1201 PolarHBondContact OG1-OE1 3.43Š|
| 1198 | N | 86.1 | Confident | 89.6 | Confident | 71 Ų | 71 | 49.6 Ų | 49.6 | 38% | 0.38 | 24% | 0.236 | S | C | . | . | S | Bend | trans | -155 | 174.4 | -178 | 68.6 | 46.7 | 0 | 0 | 0 | 112.1 | S1196 E1200 Q1201 F1202 | S1196-N1198 VanDerWaalsContact C-N 3.34Å; N1198-E1200 PolarHBondContact O-N 3.37Å; N1198-E1200 WeakPolarHBondContact OD1-CA 3.49Å; N1198-E1200 PolarHBondContact OD1-N 3.5Å; N1198-Q1201 PolarHBondContact O-N 2.71Å; N1198-Q1201 PolarHBondContact OD1-N 3.42Å; N1198-F1202 PolarHBondContact O-N 3.41Å; N1198-F1202 VanDerWaalsContact O-N 3.16Å |
| 1199 | R | 88.1 | Confident | 89.6 | Confident | 116 Ų | 116 | 50.9 Ų | 50.9 | 44% | 0.438 | 24% | 0.241 | S | C | . | . | H | α-helix | trans | -56.8 | -42.1 | 178.4 | 179.6 | -172.1 | 67.4 | 117.4 | 6 | 113.8 | F1202 L1203 | R1199-F1202 PolarHBondContact O-N 3Å; R1199-L1203 HydrophobicContact CG-CD1 4.38Å; R1199-L1203 WeakPolarHBondContact O-CG 3.3Å; R1199-L1203 PolarHBondContact O-N 3.47Å |
| 1200 | E | 88.1 | Confident | 89.6 | Confident | 110 Ų | 110 | 51.6 Ų | 51.6 | 51% | 0.514 | 24% | 0.243 | S | C | . | . | H | α-helix | trans | -71.3 | -40.4 | -176 | -78.4 | 138.1 | -137.8 | 0 | 0 | 111.7 | N1198 F1202 L1203 E1204 | N1198-E1200 PolarHBondContact O-N 3.37Å; N1198-E1200 WeakPolarHBondContact OD1-CA 3.49Å; N1198-E1200 PolarHBondContact OD1-N 3.5Å; E1200-F1202 VanDerWaalsContact C-N 3.3Å; E1200-F1202 PolarHBondContact O-N 2.97Å; E1200-L1203 WeakPolarHBondContact O-CB 3.32Å; E1200-L1203 PolarHBondContact O-N 3Å; E1200-L1203 VanDerWaalsContact O-N 3.13Å; E1200-E1204 PolarHBondContact O-N 2.69Å |
| 1201 | Q | 90.2 | Very high | 89.8 | Confident | 74 Ų | 74 | 51.7 Ų | 51.7 | 35% | 0.346 | 24% | 0.244 | S | C | . | . | H | α-helix | trans | -61.3 | -39.4 | 171.8 | -168.9 | -178.1 | -2.7 | 0 | 0 | 111.7 | I1195 T1197 N1198 L1203 E1204 L1205 | I1195-Q1201 PolarHBondContact O-NE2 2.79Å; T1197-Q1201 PolarHBondContact OG1-OE1 3.43Å; N1198-Q1201 PolarHBondContact O-N 2.71Å; N1198-Q1201 PolarHBondContact OD1-N 3.42Å; Q1201-L1203 VanDerWaalsContact C-N 3.33Å; Q1201-L1203 PolarHBondContact O-N 3.42Å; Q1201-E1204 PolarHBondContact O-N 2.98Å; Q1201-L1205 WeakPolarHBondContact O-CG 3.25Å; Q1201-L1205 PolarHBondContact O-N 3.13Å |
| 1202 | F | 92.3 | Very high | 89.9 | Confident | 1 Ų | 1 | 51.9 Ų | 51.9 | 0% | 0.004 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -64.5 | -36.4 | 173.9 | 179.3 | -121.3 | 0 | 0 | 0 | 112.4 | I1043 F1044 N1047 V1193 S1196 N1198 R1199 E1200 L1205 L1206 | I1043-F1202 HydrophobicContact CG2-CB 3.96Å; I1043-F1202 HydrophobicContact CG2-CD1 4.16Å; I1043-F1202 HydrophobicContact CG2-CG 4.15Å; F1044-F1202 HydrophobicContact CD2-CE1 4.37Å; F1044-F1202 AromaticContact CD2-CZ 3.82Å; F1044-F1202 HydrophobicContact CD2-CZ 3.82Å; F1044-F1202 HydrophobicContact CE2-CZ 4.29Å; F1044-F1202 HydrophobicContact CG-CZ 4.39Å; N1047-F1202 HydrophobicContact CB-CE1 4.48Å; V1193-F1202 HydrophobicContact CG2-CD2 3.72Å; V1193-F1202 HydrophobicContact CG2-CE1 4.29Å; V1193-F1202 HydrophobicContact CG2-CE2 3.37Å; V1193-F1202 HydrophobicContact CG2-CG 4.33Å; V1193-F1202 HydrophobicContact CG2-CZ 3.68Å; S1196-F1202 WeakPolarHBondContact OG-CA 3.46Å; S1196-F1202 WeakPolarHBondContact OG-CB 3.42Å; S1196-F1202 PolarHBondContact OG-N 3.25Å; N1198-F1202 PolarHBondContact O-N 3.41Å; N1198-F1202 VanDerWaalsContact O-N 3.16Å; R1199-F1202 PolarHBondContact O-N 3Å; E1200-F1202 VanDerWaalsContact C-N 3.3Å; E1200-F1202 PolarHBondContact O-N 2.97Å; F1202-L1205 PolarHBondContact O-N 2.88Å; F1202-L1206 HydrophobicContact CD1-CD1 4.11Å; F1202-L1206 HydrophobicContact CD2-CG 4.45Å; F1202-L1206 HydrophobicContact CE1-CD1 3.55Å; F1202-L1206 HydrophobicContact CE1-CG 4.23Å; F1202-L1206 HydrophobicContact CE2-CD1 4.23Å; F1202-L1206 HydrophobicContact CE2-CD2 4.21Å; F1202-L1206 HydrophobicContact CE2-CG 4.02Å; F1202-L1206 HydrophobicContact CZ-CD1 3.63Å; F1202-L1206 HydrophobicContact CZ-CD2 4.1Å; F1202-L1206 HydrophobicContact CZ-CG 3.91Å; F1202-L1206 WeakPolarHBondContact O-CG 3.42Å; F1202-L1206 PolarHBondContact O-N 3.27Å |
| 1203 | L | 90.6 | Very high | 90 | Very high | 31 Ų | 31 | 51.7 Ų | 51.7 | 16% | 0.162 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -68.1 | -39.9 | 175.3 | -69.4 | 174.6 | 0 | 0 | 0 | 112.8 | N1047 P1048 R1199 E1200 Q1201 L1206 K1207 | N1047-L1203 HydrophobicContact CB-CD2 4.01Å; P1048-L1203 HydrophobicContact CG-CD2 4.28Å; R1199-L1203 HydrophobicContact CG-CD1 4.38Å; R1199-L1203 WeakPolarHBondContact O-CG 3.3Å; R1199-L1203 PolarHBondContact O-N 3.47Å; E1200-L1203 WeakPolarHBondContact O-CB 3.32Å; E1200-L1203 PolarHBondContact O-N 3Å; E1200-L1203 VanDerWaalsContact O-N 3.13Å; Q1201-L1203 VanDerWaalsContact C-N 3.33Å; Q1201-L1203 PolarHBondContact O-N 3.42Å; L1203-L1206 PolarHBondContact O-N 2.91Å; L1203-K1207 WeakPolarHBondContact O-CG 3.22Å; L1203-K1207 PolarHBondContact O-N 3.37Å; L1203-K1207 VanDerWaalsContact O-N 3.08Å |
| 1204 | E | 89.9 | Confident | 90 | Very high | 104 Ų | 104 | 53.1 Ų | 53.1 | 49% | 0.486 | 25% | 0.252 | S | S | . | . | H | α-helix | trans | -65.5 | -38.8 | 172.1 | -63.7 | -47.8 | 125.3 | 0 | 0 | 111.6 | E1200 Q1201 L1206 K1207 Q1208 | E1200-E1204 PolarHBondContact O-N 2.69Å; Q1201-E1204 PolarHBondContact O-N 2.98Å; E1204-L1206 VanDerWaalsContact C-N 3.34Å; E1204-L1206 PolarHBondContact O-N 3.44Å; E1204-K1207 WeakPolarHBondContact O-CB 3.49Å; E1204-K1207 PolarHBondContact O-N 2.96Å; E1204-K1207 VanDerWaalsContact O-N 3.13Å; E1204-K1207 IonicContact OE1-NZ 3.21Å; E1204-K1207 PolarHBondContact OE1-NZ 3.49Å; E1204-K1207 WeakPolarHBondContact OE2-CD 3.44Å; E1204-K1207 IonicContact OE2-NZ 3.86Å; E1204-K1207 PolarHBondContact OE2-NZ 3.02Å; E1204-Q1208 WeakPolarHBondContact O-CB 3.24Å; E1204-Q1208 PolarHBondContact O-N 3.11Å |
| 1205 | L | 91.7 | Very high | 90 | Very high | 24 Ų | 24 | 50.2 Ų | 50.2 | 13% | 0.126 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -62.8 | -36.9 | 171.6 | -73.1 | -176.6 | 0 | 0 | 0 | 112.7 | W1192 S1196 Q1201 F1202 K1207 Q1208 K1209 | W1192-L1205 HydrophobicContact CB-CD1 4.41Å; S1196-L1205 WeakPolarHBondContact OG-CD1 3.43Å; Q1201-L1205 WeakPolarHBondContact O-CG 3.25Å; Q1201-L1205 PolarHBondContact O-N 3.13Å; F1202-L1205 PolarHBondContact O-N 2.88Å; L1205-K1207 VanDerWaalsContact C-N 3.28Å; L1205-K1207 PolarHBondContact O-N 3.39Å; L1205-Q1208 PolarHBondContact O-N 2.64Å; L1205-K1209 HydrophobicContact CD2-CD 4.42Å; L1205-K1209 WeakPolarHBondContact O-CA 3.08Å; L1205-K1209 WeakPolarHBondContact O-CB 3.31Å; L1205-K1209 PolarHBondContact O-N 3.09Å |
| 1206 | L | 91.2 | Very high | 89.9 | Confident | 17 Ų | 17 | 47.8 Ų | 47.8 | 9% | 0.089 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -70.3 | -20.4 | 174.1 | -74.1 | 177.9 | 0 | 0 | 0 | 113.8 | N1047 L1049 W1192 F1202 L1203 E1204 | N1047-L1206 HydrophobicContact CB-CD1 4.18Å; L1049-L1206 HydrophobicContact CD1-CB 4.39Å; L1049-L1206 HydrophobicContact CD1-CD1 4.29Å; W1192-L1206 HydrophobicContact CE3-CD2 4.22Å; W1192-L1206 HydrophobicContact CZ3-CD2 4.19Å; F1202-L1206 HydrophobicContact CD1-CD1 4.11Å; F1202-L1206 HydrophobicContact CD2-CG 4.45Å; F1202-L1206 HydrophobicContact CE1-CD1 3.55Å; F1202-L1206 HydrophobicContact CE1-CG 4.23Å; F1202-L1206 HydrophobicContact CE2-CD1 4.23Å; F1202-L1206 HydrophobicContact CE2-CD2 4.21Å; F1202-L1206 HydrophobicContact CE2-CG 4.02Å; F1202-L1206 HydrophobicContact CZ-CD1 3.63Å; F1202-L1206 HydrophobicContact CZ-CD2 4.1Å; F1202-L1206 HydrophobicContact CZ-CG 3.91Å; F1202-L1206 WeakPolarHBondContact O-CG 3.42Å; F1202-L1206 PolarHBondContact O-N 3.27Å; L1203-L1206 PolarHBondContact O-N 2.91Å; E1204-L1206 VanDerWaalsContact C-N 3.34Å; E1204-L1206 PolarHBondContact O-N 3.44Å |
| 1207 | K | 88.5 | Confident | 89.1 | Confident | 118 Ų | 118 | 54.1 Ų | 54.1 | 51% | 0.513 | 26% | 0.262 | S | S | . | . | H | α-helix | trans | -79.5 | -41.7 | 167.4 | -66.7 | 168.7 | -176.2 | 173.2 | 0 | 111.4 | W1002 L1203 E1204 L1205 | W1002-K1207 VanDerWaalsContact CZ2-O 3.31Å; W1002-K1207 WeakPolarHBondContact CZ2-O 3.44Å; L1203-K1207 WeakPolarHBondContact O-CG 3.22Å; L1203-K1207 PolarHBondContact O-N 3.37Å; L1203-K1207 VanDerWaalsContact O-N 3.08Å; E1204-K1207 WeakPolarHBondContact O-CB 3.49Å; E1204-K1207 PolarHBondContact O-N 2.96Å; E1204-K1207 VanDerWaalsContact O-N 3.13Å; E1204-K1207 IonicContact OE1-NZ 3.21Å; E1204-K1207 PolarHBondContact OE1-NZ 3.49Å; E1204-K1207 WeakPolarHBondContact OE2-CD 3.44Å; E1204-K1207 IonicContact OE2-NZ 3.86Å; E1204-K1207 PolarHBondContact OE2-NZ 3.02Å; L1205-K1207 VanDerWaalsContact C-N 3.28Å; L1205-K1207 PolarHBondContact O-N 3.39Å |
| 1208 | Q | 90.3 | Very high | 88.4 | Confident | 76 Ų | 76 | 52.3 Ų | 52.3 | 36% | 0.355 | 26% | 0.259 | S | S | . | . | H | α-helix | trans | -80.3 | -25.5 | -174.9 | -162.5 | -169.5 | 4.9 | 0 | 0 | 113.8 | W1002 T1168 L1169 E1204 L1205 | W1002-Q1208 WeakPolarHBondContact CH2-O 3.48Å; T1168-Q1208 HydrophobicContact CG2-CG 4.47Å; L1169-Q1208 HydrophobicContact CB-CG 3.92Å; L1169-Q1208 WeakPolarHBondContact CB-O 3.36Å; L1169-Q1208 PolarHBondContact N-O 3.44Å; L1169-Q1208 WeakPolarHBondContact O-CG 3.48Å; L1169-Q1208 PolarHBondContact O-NE2 3.33Å; E1204-Q1208 WeakPolarHBondContact O-CB 3.24Å; E1204-Q1208 PolarHBondContact O-N 3.11Å; L1205-Q1208 PolarHBondContact O-N 2.64Å |
| 1209 | K | 93.3 | Very high | 87.4 | Confident | 38 Ų | 38 | 51.2 Ų | 51.2 | 17% | 0.165 | 26% | 0.256 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.4 | 140.2 | -175.8 | -69.2 | 177.2 | 166.9 | -76 | 0 | 112.5 | E1166 H1167 T1168 W1192 L1205 | E1166-K1209 IonicContact OE1-NZ 2.63Å; E1166-K1209 PolarHBondContact OE1-NZ 3.27Å; H1167-K1209 VanDerWaalsContact O-CA 3.26Å; H1167-K1209 WeakPolarHBondContact O-CA 3.39Å; T1168-K1209 HydrophobicContact CG2-CG 3.97Å; T1168-K1209 PolarHBondContact OG1-NZ 3.1Å; W1192-K1209 HydrophobicContact CD2-CB 4.37Å; W1192-K1209 HydrophobicContact CD2-CD 4.07Å; W1192-K1209 HydrophobicContact CE3-CB 4.29Å; W1192-K1209 HydrophobicContact CG-CD 4.27Å; W1192-K1209 HydrophobicContact CH2-CB 3.7Å; W1192-K1209 HydrophobicContact CZ2-CB 3.78Å; W1192-K1209 HydrophobicContact CZ2-CD 4.18Å; W1192-K1209 HydrophobicContact CZ3-CB 3.96Å; L1205-K1209 HydrophobicContact CD2-CD 4.42Å; L1205-K1209 WeakPolarHBondContact O-CA 3.08Å; L1205-K1209 WeakPolarHBondContact O-CB 3.31Å; L1205-K1209 PolarHBondContact O-N 3.09Å |
| 1210 | R | 92.8 | Very high | 86.2 | Confident | 19 Ų | 19 | 53 Ų | 53 | 7% | 0.072 | 27% | 0.274 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.6 | 138.9 | -179.6 | -63.7 | -174.9 | -179.2 | -178.7 | 0 | 110.5 | D998 W1002 Y1069 H1167 V1212 | D998-R1210 PolarHBondContact O-NH1 2.89Å; W1002-R1210 HydrophobicContact CE3-CG 4.4Å; W1002-R1210 VanDerWaalsContact CG-NH1 3.28Å; W1002-R1210 HydrophobicContact CH2-CB 4.35Å; W1002-R1210 HydrophobicContact CH2-CG 3.84Å; W1002-R1210 HydrophobicContact CZ2-CG 4.23Å; W1002-R1210 HydrophobicContact CZ3-CB 4.11Å; W1002-R1210 HydrophobicContact CZ3-CG 3.93Å; Y1069-R1210 HydrophobicContact CD2-CB 3.82Å; Y1069-R1210 HydrophobicContact CD2-CG 4.1Å; Y1069-R1210 HydrophobicContact CE2-CB 3.91Å; Y1069-R1210 HydrophobicContact CE2-CG 3.71Å; H1167-R1210 PolarHBondContact N-O 2.74Å; H1167-R1210 PolarHBondContact O-N 2.73Å; R1210-V1212 HydrophobicContact CB-CG2 4.18Å |
| 1211 | I | 94.7 | Very high | 85.6 | Confident | 3 Ų | 3 | 52 Ų | 52 | 2% | 0.015 | 27% | 0.272 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.9 | 123.9 | 166.1 | -62.9 | -167.2 | 0 | 0 | 0 | 108.4 | L1066 I1068 Y1069 L1164 Y1165 P1185 L1188 L1189 W1192 | L1066-I1211 HydrophobicContact CD1-CD1 4.01Å; L1066-I1211 HydrophobicContact CD2-CD1 4.34Å; I1068-I1211 HydrophobicContact CG1-CG2 4.27Å; Y1069-I1211 PolarHBondContact N-O 3.02Å; L1164-I1211 HydrophobicContact CB-CG2 4.32Å; L1164-I1211 HydrophobicContact CD1-CG2 4.36Å; L1164-I1211 HydrophobicContact CD2-CG2 4.15Å; Y1165-I1211 WeakPolarHBondContact O-CA 3.32Å; P1185-I1211 HydrophobicContact CB-CD1 3.65Å; L1188-I1211 HydrophobicContact CD2-CD1 4.12Å; L1189-I1211 HydrophobicContact CD1-CD1 3.46Å; L1189-I1211 VanDerWaalsContact CD1-CD1 3.46Å; L1189-I1211 HydrophobicContact CD1-CG1 4.05Å; W1192-I1211 HydrophobicContact CH2-CG1 3.94Å; W1192-I1211 HydrophobicContact CZ2-CG1 4.3Å |
| 1212 | V | 92.8 | Very high | 84.9 | Confident | 8 Ų | 8 | 51.4 Ų | 51.4 | 5% | 0.048 | 27% | 0.269 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.7 | 126.2 | -172.9 | -167.1 | 0 | 0 | 0 | 0 | 110.5 | Y1069 N1071 L1164 Y1165 H1167 R1210 Q1214 | Y1069-V1212 CarbonylContact O-C 3.51Å; Y1069-V1212 WeakPolarHBondContact O-CA 3.44Å; N1071-V1212 HydrophobicContact CB-CG1 3.91Å; L1164-V1212 CarbonylContact C-O 3.58Å; L1164-V1212 WeakPolarHBondContact CA-O 3.37Å; Y1165-V1212 PolarHBondContact N-O 2.82Å; Y1165-V1212 PolarHBondContact O-N 2.78Å; H1167-V1212 HydrophobicContact CB-CG2 4.11Å; R1210-V1212 HydrophobicContact CB-CG2 4.18Å; V1212-Q1214 HydrophobicContact CB-CG 4.45Å; V1212-Q1214 HydrophobicContact CG1-CG 3.83Å |
| 1213 | L | 93.3 | Very high | 84.5 | Confident | 5 Ų | 5 | 58.1 Ų | 58.1 | 3% | 0.026 | 29% | 0.294 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -80 | 122.7 | 166.1 | -176.4 | 73.3 | 0 | 0 | 0 | 109.1 | I1068 Y1069 I1070 N1071 I1146 L1149 F1162 L1164 | I1068-L1213 HydrophobicContact CG2-CB 3.95Å; Y1069-L1213 PolarHBondContact O-N 2.75Å; I1070-L1213 HydrophobicContact CG2-CD2 4.48Å; N1071-L1213 PolarHBondContact N-O 3.4Å; I1146-L1213 HydrophobicContact CG1-CD1 3.89Å; I1146-L1213 HydrophobicContact CG2-CD1 4.31Å; L1149-L1213 HydrophobicContact CD1-CD2 4.2Å; F1162-L1213 HydrophobicContact CB-CD1 3.86Å; L1164-L1213 HydrophobicContact CD2-CB 4.08Å; L1164-L1213 HydrophobicContact CD2-CD1 3.9Å |
| 1214 | Q | 90.9 | Very high | 84.1 | Confident | 30 Ų | 30 | 63.5 Ų | 63.5 | 14% | 0.14 | 32% | 0.317 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.8 | 169.9 | 175.6 | -55.9 | -159.6 | 7.4 | 0 | 0 | 111.2 | N1071 F1162 A1163 Y1165 H1167 V1212 | N1071-Q1214 HydrophobicContact CB-CG 4.28Å; F1162-Q1214 CarbonylContact C-O 3.46Å; F1162-Q1214 WeakPolarHBondContact CA-O 3.34Å; F1162-Q1214 WeakPolarHBondContact CB-O 3.5Å; A1163-Q1214 PolarHBondContact N-O 2.88Å; A1163-Q1214 PolarHBondContact O-N 2.89Å; Y1165-Q1214 HydrophobicContact CD2-CB 3.97Å; Y1165-Q1214 HydrophobicContact CD2-CG 4.08Å; Y1165-Q1214 HydrophobicContact CE2-CB 3.93Å; Y1165-Q1214 HydrophobicContact CE2-CG 4.49Å; H1167-Q1214 PolarHBondContact CE1-NE2 3.22Å; H1167-Q1214 PolarHBondContact NE2-NE2 2.84Å; V1212-Q1214 HydrophobicContact CB-CG 4.45Å; V1212-Q1214 HydrophobicContact CG1-CG 3.83Å |
| 1215 | E | 88.2 | Confident | 83.6 | Confident | 18 Ų | 18 | 63.8 Ų | 63.8 | 8% | 0.084 | 32% | 0.321 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -68 | 139.2 | 165.4 | -64.5 | 176.6 | -116.4 | 0 | 0 | 110.1 | L1072 I1073 K1074 K1161 F1162 D1217 | L1072-E1215 HydrophobicContact CD2-CG 4.13Å; I1073-E1215 PolarHBondContact N-OE1 2.62Å; K1074-E1215 WeakPolarHBondContact CB-OE1 3.38Å; K1074-E1215 WeakPolarHBondContact CD-OE2 3.12Å; K1074-E1215 WeakPolarHBondContact CE-OE2 3.26Å; K1074-E1215 WeakPolarHBondContact CG-OE1 3.31Å; K1074-E1215 VanDerWaalsContact CG-OE2 3.26Å; K1074-E1215 WeakPolarHBondContact CG-OE2 3.43Å; K1074-E1215 PolarHBondContact N-OE1 2.82Å; K1074-E1215 IonicContact NZ-OE1 3.27Å; K1074-E1215 IonicContact NZ-OE2 3.14Å; K1074-E1215 PolarHBondContact NZ-OE2 2.82Å; K1161-E1215 CarbonylContact O-C 3.54Å; K1161-E1215 WeakPolarHBondContact O-CA 3.5Å; F1162-E1215 HydrophobicContact CE1-CG 4.48Å; E1215-D1217 PolarHBondContact O-N 2.85Å |
| 1216 | N | 86.9 | Confident | 83.3 | Confident | 21 Ų | 21 | 66.1 Ų | 66.1 | 11% | 0.112 | 33% | 0.331 | C | S | . | . | | | trans | -92.5 | 87.5 | 179.8 | 174.1 | 30.9 | 0 | 0 | 0 | 109.2 | R1160 K1161 A1163 K1178 A1218 C1219 | R1160-N1216 PolarHBondContact O-ND2 3.36Å; K1161-N1216 PolarHBondContact O-N 3.33Å; A1163-N1216 HydrophobicContact CB-CB 4.1Å; K1178-N1216 PolarHBondContact NZ-OD1 2.92Å; N1216-A1218 PolarHBondContact ND2-O 3.47Å; N1216-A1218 PolarHBondContact O-N 3.07Å; N1216-A1218 PolarHBondContact OD1-N 2.91Å; N1216-A1218 PolarHBondContact OD1-O 2.82Å; N1216-C1219 HydrophobicContact CB-CB 4.43Å; N1216-C1219 WeakPolarHBondContact ND2-CA 2.94Å; N1216-C1219 WeakPolarHBondContact ND2-CB 3.38Å; N1216-C1219 VanDerWaalsContact O-CB 3.25Å; N1216-C1219 WeakPolarHBondContact O-CB 3.44Å; N1216-C1219 PolarHBondContact O-N 3.22Å |
| 1217 | D | 71.2 | Confident | 83.1 | Confident | 141 Ų | 141 | 68.9 Ų | 68.9 | 75% | 0.754 | 35% | 0.348 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.2 | -22.4 | 177.1 | -67.4 | -36.3 | 0 | 0 | 0 | 112.2 | K1074 E1215 C1219 | K1074-D1217 IonicContact NZ-OD1 2.84Å; E1215-D1217 PolarHBondContact O-N 2.85Å; D1217-C1219 VanDerWaalsContact C-N 3.26Å; D1217-C1219 PolarHBondContact O-N 2.84Å |
| 1218 | A | 65.1 | Low | 83.1 | Confident | 73 Ų | 73 | 68.8 Ų | 68.8 | 60% | 0.603 | 36% | 0.358 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -89.7 | 41.2 | 169.2 | 0 | 0 | 0 | 0 | 0 | 112.5 | N1216 | N1216-A1218 PolarHBondContact ND2-O 3.47Å; N1216-A1218 PolarHBondContact O-N 3.07Å; N1216-A1218 PolarHBondContact OD1-N 2.91Å; N1216-A1218 PolarHBondContact OD1-O 2.82Å |
| 1219 | C | 65.1 | Low | 83.2 | Confident | 49 Ų | 49 | 68.5 Ų | 68.5 | 33% | 0.331 | 37% | 0.368 | S | S | . | . | | | trans | -90.2 | 100.8 | 168.2 | -171.3 | 0 | 0 | 0 | 0 | 109.3 | R1160 N1216 D1217 I1221 | R1160-C1219 PolarHBondContact O-SG 2.84Å; N1216-C1219 HydrophobicContact CB-CB 4.43Å; N1216-C1219 WeakPolarHBondContact ND2-CA 2.94Å; N1216-C1219 WeakPolarHBondContact ND2-CB 3.38Å; N1216-C1219 VanDerWaalsContact O-CB 3.25Å; N1216-C1219 WeakPolarHBondContact O-CB 3.44Å; N1216-C1219 PolarHBondContact O-N 3.22Å; D1217-C1219 VanDerWaalsContact C-N 3.26Å; D1217-C1219 PolarHBondContact O-N 2.84Å; C1219-I1221 PolarHBondContact O-N 3.49Å |
| 1220 | D | 64.1 | Low | 83.1 | Confident | 152 Ų | 152 | 70.9 Ų | 70.9 | 81% | 0.813 | 38% | 0.38 | S | S | * | . | | | trans | -51.5 | 127.7 | 168.5 | -80.7 | -39.7 | 0 | 0 | 0 | 110 | E1222 | D1220-E1222 PolarHBondContact O-N 2.81Š|
| 1221 | I | 75.3 | Confident | 83.2 | Confident | 90 Ų | 90 | 72.4 Ų | 72.4 | 46% | 0.462 | 39% | 0.389 | S | S | . | . | | | trans | -70.7 | 113.9 | 178.1 | -60.8 | 175.8 | 0 | 0 | 0 | 107.5 | C1219 W1223 F1226 | C1219-I1221 PolarHBondContact O-N 3.49Å; I1221-W1223 HydrophobicContact CB-CD2 4.28Å; I1221-W1223 HydrophobicContact CB-CZ2 4.09Å; I1221-W1223 HydrophobicContact CD1-CH2 4.04Å; I1221-W1223 HydrophobicContact CD1-CZ2 3.83Å; I1221-W1223 HydrophobicContact CG2-CD2 3.69Å; I1221-W1223 HydrophobicContact CG2-CE3 3.9Å; I1221-W1223 HydrophobicContact CG2-CG 4.18Å; I1221-W1223 HydrophobicContact CG2-CH2 4.22Å; I1221-W1223 HydrophobicContact CG2-CZ2 4.02Å; I1221-W1223 HydrophobicContact CG2-CZ3 4.16Å; I1221-W1223 PolarHBondContact O-N 2.9Å; I1221-F1226 HydrophobicContact CG2-CE2 3.65Å; I1221-F1226 HydrophobicContact CG2-CZ 4.29Å |
| 1222 | E | 75.2 | Confident | 83.1 | Confident | 61 Ų | 61 | 75.9 Ų | 75.9 | 29% | 0.285 | 41% | 0.411 | S | S | . | . | | | trans | -73.7 | 78.3 | 172.8 | -64.4 | -144.7 | 123.7 | 0 | 0 | 109.6 | R1160 D1220 K1224 D1225 | R1160-E1222 IonicContact CZ-OE1 2.76Å; R1160-E1222 IonicContact CZ-OE2 2.77Å; R1160-E1222 IonicContact NH1-OE1 3.8Å; R1160-E1222 PolarHBondContact NH1-OE1 3.11Å; R1160-E1222 IonicContact NH1-OE2 3.35Å; R1160-E1222 PolarHBondContact NH1-OE2 3.26Å; R1160-E1222 IonicContact NH2-OE1 3.92Å; R1160-E1222 IonicContact NH2-OE2 2.66Å; R1160-E1222 PolarHBondContact NH2-OE2 3.37Å; D1220-E1222 PolarHBondContact O-N 2.81Å; E1222-K1224 HydrophobicContact CB-CG 4.42Å; E1222-K1224 PolarHBondContact O-N 3.19Å; E1222-K1224 IonicContact OE1-NZ 2.68Å; E1222-K1224 PolarHBondContact OE1-NZ 3.43Å; E1222-K1224 VanDerWaalsContact OE2-CE 3.24Å; E1222-K1224 WeakPolarHBondContact OE2-CE 3.31Å; E1222-K1224 IonicContact OE2-NZ 3.71Å; E1222-K1224 PolarHBondContact OE2-NZ 2.77Å; E1222-D1225 WeakPolarHBondContact O-CB 3.32Å; E1222-D1225 PolarHBondContact O-N 3.37Å |
| 1223 | W | 83 | Confident | 83.1 | Confident | 142 Ų | 142 | 79 Ų | 79 | 54% | 0.538 | 43% | 0.427 | S | S | . | . | G | 310 helix | trans | -53 | -18.8 | -176.8 | -63.2 | 103.5 | 0 | 0 | 0 | 115 | I1221 D1225 L1231 F1234 | I1221-W1223 HydrophobicContact CB-CD2 4.28Å; I1221-W1223 HydrophobicContact CB-CZ2 4.09Å; I1221-W1223 HydrophobicContact CD1-CH2 4.04Å; I1221-W1223 HydrophobicContact CD1-CZ2 3.83Å; I1221-W1223 HydrophobicContact CG2-CD2 3.69Å; I1221-W1223 HydrophobicContact CG2-CE3 3.9Å; I1221-W1223 HydrophobicContact CG2-CG 4.18Å; I1221-W1223 HydrophobicContact CG2-CH2 4.22Å; I1221-W1223 HydrophobicContact CG2-CZ2 4.02Å; I1221-W1223 HydrophobicContact CG2-CZ3 4.16Å; I1221-W1223 PolarHBondContact O-N 2.9Å; W1223-D1225 VanDerWaalsContact C-N 3.28Å; W1223-D1225 PolarHBondContact O-N 2.79Å; W1223-L1231 HydrophobicContact CE3-CD2 3.77Å; W1223-L1231 HydrophobicContact CZ3-CD2 4.45Å; W1223-F1234 HydrophobicContact CZ3-CD2 4.33Å |
| 1224 | K | 81.9 | Confident | 83.2 | Confident | 145 Ų | 145 | 82.3 Ų | 82.3 | 63% | 0.63 | 44% | 0.442 | S | S | * | . | G | 310 helix | trans | -68.6 | -21.2 | 174 | 78.8 | -162.8 | -177.7 | -163.7 | 0 | 113.8 | E1222 F1226 | E1222-K1224 HydrophobicContact CB-CG 4.42Å; E1222-K1224 PolarHBondContact O-N 3.19Å; E1222-K1224 IonicContact OE1-NZ 2.68Å; E1222-K1224 PolarHBondContact OE1-NZ 3.43Å; E1222-K1224 VanDerWaalsContact OE2-CE 3.24Å; E1222-K1224 WeakPolarHBondContact OE2-CE 3.31Å; E1222-K1224 IonicContact OE2-NZ 3.71Å; E1222-K1224 PolarHBondContact OE2-NZ 2.77Å; K1224-F1226 VanDerWaalsContact C-N 3.31Å |
| 1225 | D | 80.7 | Confident | 83.4 | Confident | 110 Ų | 110 | 85.9 Ų | 85.9 | 59% | 0.588 | 46% | 0.461 | S | S | * | . | G | 310 helix | trans | -83.6 | -11.8 | -175.1 | -65.5 | -0.2 | 0 | 0 | 0 | 111.7 | E1222 W1223 | E1222-D1225 WeakPolarHBondContact O-CB 3.32Å; E1222-D1225 PolarHBondContact O-N 3.37Å; W1223-D1225 VanDerWaalsContact C-N 3.28Å; W1223-D1225 PolarHBondContact O-N 2.79Å |
| 1226 | F | 85 | Confident | 83.7 | Confident | 72 Ų | 72 | 92 Ų | 92 | 32% | 0.316 | 48% | 0.483 | S | S | . | . | S | Bend | trans | -93.6 | 144.8 | 175.9 | -61.3 | -89.4 | 0 | 0 | 0 | 111.3 | I1221 K1224 E1230 L1231 F1234 | I1221-F1226 HydrophobicContact CG2-CE2 3.65Å; I1221-F1226 HydrophobicContact CG2-CZ 4.29Å; K1224-F1226 VanDerWaalsContact C-N 3.31Å; F1226-E1230 HydrophobicContact CB-CB 4.34Å; F1226-L1231 HydrophobicContact CB-CD2 3.91Å; F1226-L1231 HydrophobicContact CB-CG 3.96Å; F1226-L1231 HydrophobicContact CG-CD2 4.48Å; F1226-F1234 AromaticContact CD1-CE2 3.54Å; F1226-F1234 HydrophobicContact CD1-CE2 3.54Å; F1226-F1234 AromaticContact CD1-CZ 3.88Å; F1226-F1234 HydrophobicContact CD1-CZ 3.88Å; F1226-F1234 AromaticContact CE1-CE2 3.8Å; F1226-F1234 HydrophobicContact CE1-CE2 3.8Å; F1226-F1234 AromaticContact CE1-CZ 3.81Å; F1226-F1234 HydrophobicContact CE1-CZ 3.81Å; F1226-F1234 HydrophobicContact CG-CE2 4.02Å; F1226-F1234 HydrophobicContact CZ-CE2 4.48Å |
| 1227 | T | 87.3 | Confident | 84.2 | Confident | 75 Ų | 75 | 94.3 Ų | 94.3 | 46% | 0.46 | 50% | 0.495 | S | S | . | . | | | trans | -68 | 155.8 | 172.8 | 66.3 | 0 | 0 | 0 | 0 | 111.3 | A1229 E1230 L1231 | T1227-A1229 PolarHBondContact O-N 2.89Å; T1227-A1229 VanDerWaalsContact O-N 3.15Å; T1227-E1230 VanDerWaalsContact CB-OE2 3.27Å; T1227-E1230 WeakPolarHBondContact CB-OE2 3.41Å; T1227-E1230 WeakPolarHBondContact CG2-OE2 3.36Å; T1227-E1230 PolarHBondContact N-OE2 2.83Å; T1227-E1230 PolarHBondContact O-N 2.99Å; T1227-E1230 VanDerWaalsContact O-N 3.08Å; T1227-E1230 WeakPolarHBondContact OG1-CG 3.05Å; T1227-E1230 PolarHBondContact OG1-N 3.39Å; T1227-E1230 PolarHBondContact OG1-OE2 3.47Å; T1227-L1231 WeakPolarHBondContact O-CG 3.27Å; T1227-L1231 PolarHBondContact O-N 3.49Å |
| 1228 | T | 89 | Confident | 85.3 | Confident | 117 Ų | 117 | 92.5 Ų | 92.5 | 72% | 0.718 | 49% | 0.485 | S | S | * | . | H | α-helix | trans | -58.7 | -27 | 174.6 | 50.2 | 0 | 0 | 0 | 0 | 112.9 | T1232 | T1228-T1232 WeakPolarHBondContact O-CB 3.33Å; T1228-T1232 PolarHBondContact O-N 2.79Å; T1228-T1232 PolarHBondContact O-OG1 3.2Å |
| 1229 | A | 92.1 | Very high | 86.8 | Confident | 69 Ų | 69 | 93.8 Ų | 93.8 | 57% | 0.57 | 48% | 0.482 | S | S | * | . | H | α-helix | trans | -69.9 | -44 | 174.2 | 0 | 0 | 0 | 0 | 0 | 112.2 | T1227 T1232 N1233 | T1227-A1229 PolarHBondContact O-N 2.89Å; T1227-A1229 VanDerWaalsContact O-N 3.15Å; A1229-T1232 PolarHBondContact O-N 3.33Å; A1229-N1233 PolarHBondContact O-N 3.41Å |
| 1230 | E | 91.4 | Very high | 88.2 | Confident | 88 Ų | 88 | 97.4 Ų | 97.4 | 41% | 0.411 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -66.2 | -44.8 | 175.7 | -70 | 160.2 | 123 | 0 | 0 | 111.3 | F1226 T1227 T1232 N1233 F1234 | F1226-E1230 HydrophobicContact CB-CB 4.34Å; T1227-E1230 VanDerWaalsContact CB-OE2 3.27Å; T1227-E1230 WeakPolarHBondContact CB-OE2 3.41Å; T1227-E1230 WeakPolarHBondContact CG2-OE2 3.36Å; T1227-E1230 PolarHBondContact N-OE2 2.83Å; T1227-E1230 PolarHBondContact O-N 2.99Å; T1227-E1230 VanDerWaalsContact O-N 3.08Å; T1227-E1230 WeakPolarHBondContact OG1-CG 3.05Å; T1227-E1230 PolarHBondContact OG1-N 3.39Å; T1227-E1230 PolarHBondContact OG1-OE2 3.47Å; E1230-T1232 VanDerWaalsContact C-N 3.31Å; E1230-T1232 PolarHBondContact O-N 3.13Å; E1230-N1233 CarbonylContact O-C 3.59Å; E1230-N1233 WeakPolarHBondContact O-CA 3.35Å; E1230-N1233 WeakPolarHBondContact O-CB 3.31Å; E1230-N1233 PolarHBondContact O-N 3.44Å; E1230-F1234 HydrophobicContact CB-CE2 4.21Å; E1230-F1234 VanDerWaalsContact O-CD2 3.29Å; E1230-F1234 WeakPolarHBondContact O-CD2 3.43Å; E1230-F1234 WeakPolarHBondContact O-CG 3.49Å; E1230-F1234 PolarHBondContact O-N 2.93Å |
| 1231 | L | 93.7 | Very high | 89.7 | Confident | 51 Ų | 51 | 93.9 Ų | 93.9 | 27% | 0.267 | 47% | 0.47 | S | S | . | . | H | α-helix | trans | -57.5 | -42.8 | 173.9 | -66.6 | 174 | 0 | 0 | 0 | 112 | W1223 F1226 T1227 N1233 F1234 L1235 | W1223-L1231 HydrophobicContact CE3-CD2 3.77Å; W1223-L1231 HydrophobicContact CZ3-CD2 4.45Å; F1226-L1231 HydrophobicContact CB-CD2 3.91Å; F1226-L1231 HydrophobicContact CB-CG 3.96Å; F1226-L1231 HydrophobicContact CG-CD2 4.48Å; T1227-L1231 WeakPolarHBondContact O-CG 3.27Å; T1227-L1231 PolarHBondContact O-N 3.49Å; L1231-N1233 VanDerWaalsContact C-N 3.27Å; L1231-N1233 PolarHBondContact O-N 3.34Å; L1231-F1234 HydrophobicContact CD2-CD2 4.34Å; L1231-F1234 PolarHBondContact O-N 2.88Å; L1231-L1235 WeakPolarHBondContact O-CG 3.39Å; L1231-L1235 PolarHBondContact O-N 3.36Å |
| 1232 | T | 93.2 | Very high | 90.5 | Very high | 76 Ų | 76 | 95.7 Ų | 95.7 | 47% | 0.466 | 48% | 0.477 | S | S | . | . | H | α-helix | trans | -64.4 | -32.3 | 174.2 | -57.7 | 0 | 0 | 0 | 0 | 112 | T1228 A1229 E1230 R1236 | T1228-T1232 WeakPolarHBondContact O-CB 3.33Å; T1228-T1232 PolarHBondContact O-N 2.79Å; T1228-T1232 PolarHBondContact O-OG1 3.2Å; A1229-T1232 PolarHBondContact O-N 3.33Å; E1230-T1232 VanDerWaalsContact C-N 3.31Å; E1230-T1232 PolarHBondContact O-N 3.13Å; T1232-R1236 PolarHBondContact O-N 3.16Å; T1232-R1236 VanDerWaalsContact O-N 3.14Å |
| 1233 | N | 93.5 | Very high | 91.5 | Very high | 74 Ų | 74 | 96.3 Ų | 96.3 | 40% | 0.396 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -74.3 | -38.8 | 176.7 | -159.9 | 49.7 | 0 | 0 | 0 | 112.2 | A1229 E1230 L1231 R1236 I1237 | A1229-N1233 PolarHBondContact O-N 3.41Å; E1230-N1233 CarbonylContact O-C 3.59Å; E1230-N1233 WeakPolarHBondContact O-CA 3.35Å; E1230-N1233 WeakPolarHBondContact O-CB 3.31Å; E1230-N1233 PolarHBondContact O-N 3.44Å; L1231-N1233 VanDerWaalsContact C-N 3.27Å; L1231-N1233 PolarHBondContact O-N 3.34Å; N1233-R1236 PolarHBondContact O-N 3.31Å; N1233-R1236 PolarHBondContact OD1-NH1 3.48Å; N1233-I1237 WeakPolarHBondContact O-CD1 3.47Å; N1233-I1237 VanDerWaalsContact O-CG1 3.29Å; N1233-I1237 WeakPolarHBondContact O-CG1 3.31Å; N1233-I1237 PolarHBondContact O-N 2.75Å |
| 1234 | F | 95 | Very high | 91.9 | Very high | 75 Ų | 75 | 93.4 Ų | 93.4 | 33% | 0.329 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -62 | -43.6 | 172.5 | -60.3 | -45.8 | 0 | 0 | 0 | 111.7 | W1223 F1226 E1230 L1231 R1236 I1237 L1238 | W1223-F1234 HydrophobicContact CZ3-CD2 4.33Å; F1226-F1234 AromaticContact CD1-CE2 3.54Å; F1226-F1234 HydrophobicContact CD1-CE2 3.54Å; F1226-F1234 AromaticContact CD1-CZ 3.88Å; F1226-F1234 HydrophobicContact CD1-CZ 3.88Å; F1226-F1234 AromaticContact CE1-CE2 3.8Å; F1226-F1234 HydrophobicContact CE1-CE2 3.8Å; F1226-F1234 AromaticContact CE1-CZ 3.81Å; F1226-F1234 HydrophobicContact CE1-CZ 3.81Å; F1226-F1234 HydrophobicContact CG-CE2 4.02Å; F1226-F1234 HydrophobicContact CZ-CE2 4.48Å; E1230-F1234 HydrophobicContact CB-CE2 4.21Å; E1230-F1234 VanDerWaalsContact O-CD2 3.29Å; E1230-F1234 WeakPolarHBondContact O-CD2 3.43Å; E1230-F1234 WeakPolarHBondContact O-CG 3.49Å; E1230-F1234 PolarHBondContact O-N 2.93Å; L1231-F1234 HydrophobicContact CD2-CD2 4.34Å; L1231-F1234 PolarHBondContact O-N 2.88Å; F1234-R1236 PolarHBondContact O-N 3.49Å; F1234-I1237 PolarHBondContact O-N 2.71Å; F1234-I1237 VanDerWaalsContact O-N 3.17Å; F1234-L1238 WeakPolarHBondContact O-CG 3.49Å; F1234-L1238 PolarHBondContact O-N 3.44Å |
| 1235 | L | 94.6 | Very high | 92.1 | Very high | 104 Ų | 104 | 88.9 Ų | 88.9 | 55% | 0.545 | 46% | 0.459 | S | S | . | . | H | α-helix | trans | -57.7 | -47.1 | 174.1 | -70.3 | 172.6 | 0 | 0 | 0 | 111.5 | L1231 I1237 L1238 D1239 | L1231-L1235 WeakPolarHBondContact O-CG 3.39Å; L1231-L1235 PolarHBondContact O-N 3.36Å; L1235-I1237 VanDerWaalsContact C-N 3.29Å; L1235-I1237 PolarHBondContact O-N 3.01Å; L1235-L1238 PolarHBondContact O-N 3.46Å; L1235-L1238 VanDerWaalsContact O-N 3.17Å; L1235-D1239 PolarHBondContact O-N 3.37Å |
| 1236 | R | 95.2 | Very high | 92.7 | Very high | 146 Ų | 146 | 91.4 Ų | 91.4 | 55% | 0.551 | 46% | 0.46 | S | S | * | . | H | α-helix | trans | -60.7 | -35 | 176.4 | -171.9 | -170.2 | -62.3 | 124.3 | -1.3 | 113.4 | T1232 N1233 F1234 K1240 | T1232-R1236 PolarHBondContact O-N 3.16Å; T1232-R1236 VanDerWaalsContact O-N 3.14Å; N1233-R1236 PolarHBondContact O-N 3.31Å; N1233-R1236 PolarHBondContact OD1-NH1 3.48Å; F1234-R1236 PolarHBondContact O-N 3.49Å; R1236-K1240 WeakPolarHBondContact O-CB 3.49Å; R1236-K1240 PolarHBondContact O-N 3.48Å; R1236-K1240 VanDerWaalsContact O-N 3.16Å |
| 1237 | I | 95.6 | Very high | 93.2 | Very high | 71 Ų | 71 | 92.9 Ų | 92.9 | 36% | 0.364 | 47% | 0.471 | S | S | . | . | H | α-helix | trans | -68.6 | -46.1 | 175.9 | -69.5 | 162.2 | 0 | 0 | 0 | 109.8 | N1233 F1234 L1235 K1240 E1241 | N1233-I1237 WeakPolarHBondContact O-CD1 3.47Å; N1233-I1237 VanDerWaalsContact O-CG1 3.29Å; N1233-I1237 WeakPolarHBondContact O-CG1 3.31Å; N1233-I1237 PolarHBondContact O-N 2.75Å; F1234-I1237 PolarHBondContact O-N 2.71Å; F1234-I1237 VanDerWaalsContact O-N 3.17Å; L1235-I1237 VanDerWaalsContact C-N 3.29Å; L1235-I1237 PolarHBondContact O-N 3.01Å; I1237-K1240 WeakPolarHBondContact O-CB 3.32Å; I1237-K1240 PolarHBondContact O-N 2.91Å; I1237-E1241 HydrophobicContact CG2-CG 4.46Å; I1237-E1241 WeakPolarHBondContact CG2-OE1 3.44Å; I1237-E1241 WeakPolarHBondContact O-CG 3.27Å; I1237-E1241 PolarHBondContact O-N 3Å |
| 1238 | L | 95.2 | Very high | 93.4 | Very high | 102 Ų | 102 | 91.2 Ų | 91.2 | 53% | 0.534 | 47% | 0.465 | S | S | . | . | H | α-helix | trans | -62.9 | -44.6 | 176.9 | -67.9 | 168.9 | 0 | 0 | 0 | 112.4 | F1234 L1235 K1240 E1241 E1242 | F1234-L1238 WeakPolarHBondContact O-CG 3.49Å; F1234-L1238 PolarHBondContact O-N 3.44Å; L1235-L1238 PolarHBondContact O-N 3.46Å; L1235-L1238 VanDerWaalsContact O-N 3.17Å; L1238-K1240 VanDerWaalsContact C-N 3.26Å; L1238-K1240 PolarHBondContact O-N 3.42Å; L1238-E1241 PolarHBondContact O-N 3.48Å; L1238-E1242 WeakPolarHBondContact O-CB 3.46Å; L1238-E1242 PolarHBondContact O-N 3.28Å |
| 1239 | D | 96.1 | Very high | 93.7 | Very high | 101 Ų | 101 | 90.5 Ų | 90.5 | 54% | 0.54 | 46% | 0.456 | S | S | . | . | H | α-helix | trans | -55.6 | -44 | 174.2 | -68 | -30.4 | 0 | 0 | 0 | 110.8 | L1235 C1243 | L1235-D1239 PolarHBondContact O-N 3.37Å; D1239-C1243 WeakPolarHBondContact O-CB 3.5Å; D1239-C1243 PolarHBondContact O-N 3.49Å; D1239-C1243 PolarHBondContact O-SG 3.17Å; D1239-C1243 VanDerWaalsContact O-SG 3.35Å |
| 1240 | K | 95.6 | Very high | 93.9 | Very high | 125 Ų | 125 | 91.1 Ų | 91.1 | 54% | 0.543 | 45% | 0.449 | S | S | . | . | H | α-helix | trans | -66.6 | -48 | 178.2 | -178 | -172.3 | 164.7 | -170.9 | 0 | 111.4 | R1236 I1237 L1238 C1243 E1244 | R1236-K1240 WeakPolarHBondContact O-CB 3.49Å; R1236-K1240 PolarHBondContact O-N 3.48Å; R1236-K1240 VanDerWaalsContact O-N 3.16Å; I1237-K1240 WeakPolarHBondContact O-CB 3.32Å; I1237-K1240 PolarHBondContact O-N 2.91Å; L1238-K1240 VanDerWaalsContact C-N 3.26Å; L1238-K1240 PolarHBondContact O-N 3.42Å; K1240-C1243 WeakPolarHBondContact O-CB 3.49Å; K1240-C1243 PolarHBondContact O-N 3.36Å; K1240-E1244 WeakPolarHBondContact CE-OE1 3.31Å; K1240-E1244 IonicContact NZ-OE1 2.75Å; K1240-E1244 PolarHBondContact NZ-OE1 3.5Å; K1240-E1244 WeakPolarHBondContact O-CG 3.45Å; K1240-E1244 PolarHBondContact O-N 2.84Å |
| 1241 | E | 94.8 | Very high | 94 | Very high | 78 Ų | 78 | 94.7 Ų | 94.7 | 36% | 0.364 | 46% | 0.46 | S | S | . | . | H | α-helix | trans | -61.4 | -44.2 | 178.7 | -75.3 | 179.9 | -161.1 | 0 | 0 | 111.3 | I1237 L1238 C1243 E1244 Y1245 | I1237-E1241 HydrophobicContact CG2-CG 4.46Å; I1237-E1241 WeakPolarHBondContact CG2-OE1 3.44Å; I1237-E1241 WeakPolarHBondContact O-CG 3.27Å; I1237-E1241 PolarHBondContact O-N 3Å; L1238-E1241 PolarHBondContact O-N 3.48Å; E1241-C1243 VanDerWaalsContact C-N 3.34Å; E1241-C1243 PolarHBondContact O-N 3.04Å; E1241-E1244 PolarHBondContact O-N 3.2Å; E1241-Y1245 HydrophobicContact CB-CD2 4.41Å; E1241-Y1245 HydrophobicContact CB-CE2 4.22Å; E1241-Y1245 WeakPolarHBondContact O-CD2 3.49Å; E1241-Y1245 PolarHBondContact O-N 3.45Å |
| 1242 | E | 93 | Very high | 94 | Very high | 128 Ų | 128 | 98.2 Ų | 98.2 | 60% | 0.598 | 48% | 0.475 | S | S | * | . | H | α-helix | trans | -60.3 | -43.2 | 175.1 | -169.2 | -174.1 | 140.1 | 0 | 0 | 111.4 | L1238 E1244 Y1245 R1246 | L1238-E1242 WeakPolarHBondContact O-CB 3.46Å; L1238-E1242 PolarHBondContact O-N 3.28Å; E1242-E1244 PolarHBondContact O-N 2.85Å; E1242-Y1245 PolarHBondContact O-N 3.08Å; E1242-R1246 VanDerWaalsContact O-CB 3.24Å; E1242-R1246 WeakPolarHBondContact O-CB 3.29Å; E1242-R1246 PolarHBondContact O-N 3.47Å |
| 1243 | C | 95.8 | Very high | 94.1 | Very high | 74 Ų | 74 | 101.3 Ų | 101.3 | 50% | 0.5 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -61 | -42.2 | 173.7 | -78.2 | 0 | 0 | 0 | 0 | 112.6 | D1239 K1240 E1241 R1246 N1247 | D1239-C1243 WeakPolarHBondContact O-CB 3.5Å; D1239-C1243 PolarHBondContact O-N 3.49Å; D1239-C1243 PolarHBondContact O-SG 3.17Å; D1239-C1243 VanDerWaalsContact O-SG 3.35Å; K1240-C1243 WeakPolarHBondContact O-CB 3.49Å; K1240-C1243 PolarHBondContact O-N 3.36Å; E1241-C1243 VanDerWaalsContact C-N 3.34Å; E1241-C1243 PolarHBondContact O-N 3.04Å; C1243-R1246 PolarHBondContact O-N 3.03Å; C1243-N1247 WeakPolarHBondContact O-CB 3.35Å; C1243-N1247 PolarHBondContact O-N 2.96Å; C1243-N1247 PolarHBondContact O-ND2 3.14Å |
| 1244 | E | 91.1 | Very high | 94.2 | Very high | 80 Ų | 80 | 101.3 Ų | 101.3 | 37% | 0.374 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -66.3 | -43.8 | 176.7 | -74 | -179.8 | 175.1 | 0 | 0 | 111.8 | M494 K1240 E1241 E1242 N1247 A1248 | M494-E1244 HydrophobicContact CE-CB 4.2Å; K1240-E1244 WeakPolarHBondContact CE-OE1 3.31Å; K1240-E1244 IonicContact NZ-OE1 2.75Å; K1240-E1244 PolarHBondContact NZ-OE1 3.5Å; K1240-E1244 WeakPolarHBondContact O-CG 3.45Å; K1240-E1244 PolarHBondContact O-N 2.84Å; E1241-E1244 PolarHBondContact O-N 3.2Å; E1242-E1244 PolarHBondContact O-N 2.85Å; E1244-N1247 PolarHBondContact O-N 3.25Å; E1244-A1248 WeakPolarHBondContact O-CB 3.46Å; E1244-A1248 PolarHBondContact O-N 3.12Å |
| 1245 | Y | 85.7 | Confident | 94.1 | Very high | 50 Ų | 50 | 101.6 Ų | 101.6 | 20% | 0.196 | 48% | 0.484 | C | S | . | . | H | α-helix | trans | -62.3 | -43.6 | 173.8 | -74.9 | -59.8 | 0 | 0 | 0 | 112.3 | M494 S497 E1241 E1242 N1247 A1248 I1249 | M494-Y1245 HydrophobicContact CG-CE1 4.25Å; S497-Y1245 PolarHBondContact OG-OH 3.35Å; E1241-Y1245 HydrophobicContact CB-CD2 4.41Å; E1241-Y1245 HydrophobicContact CB-CE2 4.22Å; E1241-Y1245 WeakPolarHBondContact O-CD2 3.49Å; E1241-Y1245 PolarHBondContact O-N 3.45Å; E1242-Y1245 PolarHBondContact O-N 3.08Å; Y1245-N1247 VanDerWaalsContact C-N 3.34Å; Y1245-N1247 PolarHBondContact O-N 3.42Å; Y1245-A1248 PolarHBondContact O-N 2.79Å; Y1245-I1249 WeakPolarHBondContact O-CG1 3.23Å; Y1245-I1249 PolarHBondContact O-N 2.86Å |
| 1246 | R | 94.7 | Very high | 94.1 | Very high | 164 Ų | 164 | 99.5 Ų | 99.5 | 62% | 0.619 | 47% | 0.473 | S | S | * | . | H | α-helix | trans | -61.7 | -42.1 | 176.4 | -175.9 | 176.1 | -179.3 | 174.2 | -0.2 | 111.7 | E1242 C1243 I1249 L1250 | E1242-R1246 VanDerWaalsContact O-CB 3.24Å; E1242-R1246 WeakPolarHBondContact O-CB 3.29Å; E1242-R1246 PolarHBondContact O-N 3.47Å; C1243-R1246 PolarHBondContact O-N 3.03Å; R1246-I1249 PolarHBondContact O-N 3.19Å; R1246-L1250 HydrophobicContact CG-CD1 4.19Å; R1246-L1250 WeakPolarHBondContact O-CB 3.36Å; R1246-L1250 VanDerWaalsContact O-CG 3.31Å; R1246-L1250 WeakPolarHBondContact O-CG 3.47Å; R1246-L1250 PolarHBondContact O-N 2.95Å |
| 1247 | N | 94.6 | Very high | 94.1 | Very high | 103 Ų | 103 | 98.3 Ų | 98.3 | 55% | 0.551 | 47% | 0.468 | S | S | * | . | H | α-helix | trans | -66.4 | -39.7 | 176.3 | -71.8 | -20.8 | 0 | 0 | 0 | 111.8 | C1243 E1244 Y1245 L1250 Y1251 | C1243-N1247 WeakPolarHBondContact O-CB 3.35Å; C1243-N1247 PolarHBondContact O-N 2.96Å; C1243-N1247 PolarHBondContact O-ND2 3.14Å; E1244-N1247 PolarHBondContact O-N 3.25Å; Y1245-N1247 VanDerWaalsContact C-N 3.34Å; Y1245-N1247 PolarHBondContact O-N 3.42Å; N1247-L1250 PolarHBondContact O-N 3.4Å; N1247-Y1251 WeakPolarHBondContact O-CB 3.32Å; N1247-Y1251 PolarHBondContact O-N 2.9Å |
| 1248 | A | 92.3 | Very high | 94 | Very high | 40 Ų | 40 | 99 Ų | 99 | 33% | 0.331 | 47% | 0.473 | S | S | . | . | H | α-helix | trans | -62.9 | -42.3 | 174.6 | 0 | 0 | 0 | 0 | 0 | 112.4 | E1244 Y1245 Y1251 Q1252 | E1244-A1248 WeakPolarHBondContact O-CB 3.46Å; E1244-A1248 PolarHBondContact O-N 3.12Å; Y1245-A1248 PolarHBondContact O-N 2.79Å; A1248-Y1251 PolarHBondContact O-N 3.2Å; A1248-Q1252 WeakPolarHBondContact O-CG 3.48Å; A1248-Q1252 PolarHBondContact O-N 2.8Å |
| 1249 | I | 94.6 | Very high | 93.8 | Very high | 102 Ų | 102 | 98.9 Ų | 98.9 | 52% | 0.523 | 47% | 0.469 | S | S | . | . | H | α-helix | trans | -63.6 | -46.3 | 175.3 | -68.6 | 164.7 | 0 | 0 | 0 | 110.8 | Y1245 R1246 Y1251 Q1252 Y1253 | Y1245-I1249 WeakPolarHBondContact O-CG1 3.23Å; Y1245-I1249 PolarHBondContact O-N 2.86Å; R1246-I1249 PolarHBondContact O-N 3.19Å; I1249-Y1251 VanDerWaalsContact C-N 3.34Å; I1249-Y1251 PolarHBondContact O-N 3.3Å; I1249-Q1252 PolarHBondContact O-N 2.98Å; I1249-Y1253 WeakPolarHBondContact O-CB 3.37Å; I1249-Y1253 PolarHBondContact O-N 3.21Å |
| 1250 | L | 95.6 | Very high | 93.7 | Very high | 81 Ų | 81 | 97 Ų | 97 | 42% | 0.424 | 46% | 0.459 | S | S | . | . | H | α-helix | trans | -63.3 | -38.1 | 177.2 | -72.7 | 170.6 | 0 | 0 | 0 | 112.2 | R1246 N1247 N1254 | R1246-L1250 HydrophobicContact CG-CD1 4.19Å; R1246-L1250 WeakPolarHBondContact O-CB 3.36Å; R1246-L1250 VanDerWaalsContact O-CG 3.31Å; R1246-L1250 WeakPolarHBondContact O-CG 3.47Å; R1246-L1250 PolarHBondContact O-N 2.95Å; N1247-L1250 PolarHBondContact O-N 3.4Å; L1250-N1254 WeakPolarHBondContact O-CB 3.38Å; L1250-N1254 VanDerWaalsContact O-CG 3.25Å; L1250-N1254 PolarHBondContact O-N 3.15Å; L1250-N1254 PolarHBondContact O-ND2 2.82Å; L1250-N1254 VanDerWaalsContact O-ND2 3.16Å |
| 1251 | Y | 94.8 | Very high | 93.6 | Very high | 164 Ų | 164 | 94 Ų | 94 | 64% | 0.643 | 45% | 0.447 | S | S | * | . | H | α-helix | trans | -63.4 | -48.5 | 174.7 | 178.6 | -95.2 | 0 | 0 | 0 | 111.9 | N1247 A1248 I1249 Y1253 N1254 L1255 | N1247-Y1251 WeakPolarHBondContact O-CB 3.32Å; N1247-Y1251 PolarHBondContact O-N 2.9Å; A1248-Y1251 PolarHBondContact O-N 3.2Å; I1249-Y1251 VanDerWaalsContact C-N 3.34Å; I1249-Y1251 PolarHBondContact O-N 3.3Å; Y1251-Y1253 PolarHBondContact O-N 3.49Å; Y1251-N1254 PolarHBondContact O-N 3.49Å; Y1251-L1255 WeakPolarHBondContact O-CB 3.28Å; Y1251-L1255 PolarHBondContact O-N 2.98Å |
| 1252 | Q | 92.7 | Very high | 93.4 | Very high | 125 Ų | 125 | 95.9 Ų | 95.9 | 58% | 0.584 | 46% | 0.456 | S | S | * | . | H | α-helix | trans | -63 | -41.2 | 176.9 | -71.3 | -179.2 | 11.3 | 0 | 0 | 112.2 | A1248 I1249 L1255 L1256 | A1248-Q1252 WeakPolarHBondContact O-CG 3.48Å; A1248-Q1252 PolarHBondContact O-N 2.8Å; I1249-Q1252 PolarHBondContact O-N 2.98Å; Q1252-L1255 PolarHBondContact O-N 2.97Å; Q1252-L1256 WeakPolarHBondContact O-CB 3.43Å; Q1252-L1256 PolarHBondContact O-N 3.36Å |
| 1253 | Y | 95.8 | Very high | 93.2 | Very high | 141 Ų | 141 | 95.6 Ų | 95.6 | 55% | 0.553 | 45% | 0.449 | S | S | * | . | H | α-helix | trans | -60.7 | -47.2 | 174.6 | 174 | -96.5 | 0 | 0 | 0 | 111.9 | I1249 Y1251 L1255 L1256 R1257 | I1249-Y1253 WeakPolarHBondContact O-CB 3.37Å; I1249-Y1253 PolarHBondContact O-N 3.21Å; Y1251-Y1253 PolarHBondContact O-N 3.49Å; Y1253-L1255 PolarHBondContact O-N 3.05Å; Y1253-L1256 PolarHBondContact O-N 2.99Å; Y1253-R1257 WeakPolarHBondContact O-CB 3.43Å; Y1253-R1257 PolarHBondContact O-N 3.06Å |
| 1254 | N | 94.4 | Very high | 92.8 | Very high | 74 Ų | 74 | 97.8 Ų | 97.8 | 40% | 0.396 | 45% | 0.453 | S | S | . | . | H | α-helix | trans | -66.1 | -37.5 | 178.7 | -74.2 | -30 | 0 | 0 | 0 | 112.2 | L1250 Y1251 R1257 N1258 | L1250-N1254 WeakPolarHBondContact O-CB 3.38Å; L1250-N1254 VanDerWaalsContact O-CG 3.25Å; L1250-N1254 PolarHBondContact O-N 3.15Å; L1250-N1254 PolarHBondContact O-ND2 2.82Å; L1250-N1254 VanDerWaalsContact O-ND2 3.16Å; Y1251-N1254 PolarHBondContact O-N 3.49Å; N1254-R1257 PolarHBondContact O-N 2.99Å; N1254-N1258 WeakPolarHBondContact O-CB 3.46Å; N1254-N1258 PolarHBondContact O-N 2.78Å; N1254-N1258 PolarHBondContact O-ND2 3.34Å |
| 1255 | L | 94.8 | Very high | 92.8 | Very high | 81 Ų | 81 | 100.2 Ų | 100.2 | 42% | 0.424 | 46% | 0.463 | S | S | . | . | H | α-helix | trans | -61.6 | -47.4 | 173.8 | -178.5 | 62.9 | 0 | 0 | 0 | 111.4 | Y1251 Q1252 Y1253 N1258 Q1259 | Y1251-L1255 WeakPolarHBondContact O-CB 3.28Å; Y1251-L1255 PolarHBondContact O-N 2.98Å; Q1252-L1255 PolarHBondContact O-N 2.97Å; Y1253-L1255 PolarHBondContact O-N 3.05Å; L1255-N1258 PolarHBondContact O-N 2.68Å; L1255-Q1259 WeakPolarHBondContact O-CG 3.46Å; L1255-Q1259 PolarHBondContact O-N 2.87Å; L1255-Q1259 VanDerWaalsContact O-N 3.1Å |
| 1256 | L | 94.7 | Very high | 92.7 | Very high | 60 Ų | 60 | 102.2 Ų | 102.2 | 31% | 0.314 | 47% | 0.474 | S | S | . | . | H | α-helix | trans | -63.3 | -42.8 | 176.5 | -177.5 | 60.3 | 0 | 0 | 0 | 112 | I478 Q1252 Y1253 N1258 Q1259 L1260 | I478-L1256 HydrophobicContact CG2-CD1 3.96Å; Q1252-L1256 WeakPolarHBondContact O-CB 3.43Å; Q1252-L1256 PolarHBondContact O-N 3.36Å; Y1253-L1256 PolarHBondContact O-N 2.99Å; L1256-N1258 PolarHBondContact O-N 3.22Å; L1256-Q1259 PolarHBondContact O-N 2.94Å; L1256-L1260 HydrophobicContact CG-CD1 4.25Å; L1256-L1260 WeakPolarHBondContact O-CG 3.29Å; L1256-L1260 PolarHBondContact O-N 2.86Å |
| 1257 | R | 93.6 | Very high | 92.2 | Very high | 120 Ų | 120 | 98.8 Ų | 98.8 | 45% | 0.453 | 47% | 0.467 | S | S | . | . | H | α-helix | trans | -59.2 | -46.4 | 175.5 | -179.5 | -175.9 | 164.1 | -174 | -6.5 | 111.3 | Y1253 N1254 Q1259 L1260 E1261 | Y1253-R1257 WeakPolarHBondContact O-CB 3.43Å; Y1253-R1257 PolarHBondContact O-N 3.06Å; N1254-R1257 PolarHBondContact O-N 2.99Å; R1257-Q1259 VanDerWaalsContact C-N 3.32Å; R1257-Q1259 PolarHBondContact O-N 3.18Å; R1257-L1260 WeakPolarHBondContact O-CB 3.29Å; R1257-L1260 PolarHBondContact O-N 3.25Å; R1257-E1261 IonicContact CZ-OE1 3.88Å; R1257-E1261 IonicContact NE-OE1 2.79Å; R1257-E1261 PolarHBondContact NE-OE1 3.29Å; R1257-E1261 IonicContact NH2-OE1 2.71Å; R1257-E1261 PolarHBondContact NH2-OE1 3.01Å; R1257-E1261 PolarHBondContact O-N 2.73Å |
| 1258 | N | 93.3 | Very high | 91.8 | Very high | 86 Ų | 86 | 97.9 Ų | 97.9 | 46% | 0.46 | 47% | 0.465 | S | S | . | . | H | α-helix | trans | -61.8 | -39.8 | 178.3 | -71.5 | -17.4 | 0 | 0 | 0 | 111.8 | N1254 L1255 L1256 E1261 Q1262 | N1254-N1258 WeakPolarHBondContact O-CB 3.46Å; N1254-N1258 PolarHBondContact O-N 2.78Å; N1254-N1258 PolarHBondContact O-ND2 3.34Å; L1255-N1258 PolarHBondContact O-N 2.68Å; L1256-N1258 PolarHBondContact O-N 3.22Å; N1258-E1261 PolarHBondContact O-N 2.73Å; N1258-Q1262 WeakPolarHBondContact O-CB 3.45Å; N1258-Q1262 VanDerWaalsContact O-CG 3.29Å; N1258-Q1262 WeakPolarHBondContact O-CG 3.37Å; N1258-Q1262 PolarHBondContact O-N 2.81Å |
| 1259 | Q | 92.9 | Very high | 91.1 | Very high | 99 Ų | 99 | 100.3 Ų | 100.3 | 46% | 0.463 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -64.7 | -40.8 | 174.3 | -70.1 | 172.7 | -1.5 | 0 | 0 | 112.3 | L1255 L1256 R1257 Q1262 R1263 | L1255-Q1259 WeakPolarHBondContact O-CG 3.46Å; L1255-Q1259 PolarHBondContact O-N 2.87Å; L1255-Q1259 VanDerWaalsContact O-N 3.1Å; L1256-Q1259 PolarHBondContact O-N 2.94Å; R1257-Q1259 VanDerWaalsContact C-N 3.32Å; R1257-Q1259 PolarHBondContact O-N 3.18Å; Q1259-Q1262 PolarHBondContact O-N 2.83Å; Q1259-R1263 WeakPolarHBondContact O-CB 3.45Å; Q1259-R1263 VanDerWaalsContact O-CG 3.31Å; Q1259-R1263 WeakPolarHBondContact O-CG 3.32Å; Q1259-R1263 PolarHBondContact O-N 3.33Å |
| 1260 | L | 94 | Very high | 90.1 | Very high | 61 Ų | 61 | 99.2 Ų | 99.2 | 32% | 0.319 | 47% | 0.474 | S | S | . | . | H | α-helix | trans | -63.7 | -46.7 | 175 | -75.1 | 166.9 | 0 | 0 | 0 | 111.9 | I478 L1256 R1257 Q1262 R1263 M1264 | I478-L1260 HydrophobicContact CD1-CD2 3.8Å; L1256-L1260 HydrophobicContact CG-CD1 4.25Å; L1256-L1260 WeakPolarHBondContact O-CG 3.29Å; L1256-L1260 PolarHBondContact O-N 2.86Å; R1257-L1260 WeakPolarHBondContact O-CB 3.29Å; R1257-L1260 PolarHBondContact O-N 3.25Å; L1260-Q1262 VanDerWaalsContact C-N 3.34Å; L1260-Q1262 PolarHBondContact O-N 2.87Å; L1260-R1263 PolarHBondContact O-N 3.35Å; L1260-M1264 WeakPolarHBondContact O-CG 3.44Å; L1260-M1264 PolarHBondContact O-N 2.88Å |
| 1261 | E | 92.6 | Very high | 88.7 | Confident | 63 Ų | 63 | 99 Ų | 99 | 29% | 0.294 | 47% | 0.473 | S | S | . | . | H | α-helix | trans | -64.1 | -36.9 | 177.5 | -73.1 | -172.1 | -158.2 | 0 | 0 | 112.5 | R1257 N1258 K1265 | R1257-E1261 IonicContact CZ-OE1 3.88Å; R1257-E1261 IonicContact NE-OE1 2.79Å; R1257-E1261 PolarHBondContact NE-OE1 3.29Å; R1257-E1261 IonicContact NH2-OE1 2.71Å; R1257-E1261 PolarHBondContact NH2-OE1 3.01Å; R1257-E1261 PolarHBondContact O-N 2.73Å; N1258-E1261 PolarHBondContact O-N 2.73Å; E1261-K1265 WeakPolarHBondContact O-CD 3.17Å; E1261-K1265 VanDerWaalsContact O-CG 3.28Å; E1261-K1265 WeakPolarHBondContact O-CG 3.02Å; E1261-K1265 PolarHBondContact O-N 3.01Å; E1261-K1265 IonicContact OE2-NZ 3.36Å |
| 1262 | Q | 90.6 | Very high | 87 | Confident | 118 Ų | 118 | 96.8 Ų | 96.8 | 55% | 0.551 | 47% | 0.468 | S | S | * | . | H | α-helix | trans | -63.4 | -46.9 | 172.2 | -76.4 | 174.7 | -4.4 | 0 | 0 | 111.7 | N1258 Q1259 L1260 M1264 K1265 Q1266 | N1258-Q1262 WeakPolarHBondContact O-CB 3.45Å; N1258-Q1262 VanDerWaalsContact O-CG 3.29Å; N1258-Q1262 WeakPolarHBondContact O-CG 3.37Å; N1258-Q1262 PolarHBondContact O-N 2.81Å; Q1259-Q1262 PolarHBondContact O-N 2.83Å; L1260-Q1262 VanDerWaalsContact C-N 3.34Å; L1260-Q1262 PolarHBondContact O-N 2.87Å; Q1262-M1264 PolarHBondContact O-N 3.43Å; Q1262-K1265 PolarHBondContact O-N 3.04Å; Q1262-Q1266 WeakPolarHBondContact O-CG 3.43Å; Q1262-Q1266 PolarHBondContact O-N 3.06Å |
| 1263 | R | 88.4 | Confident | 85.4 | Confident | 122 Ų | 122 | 94.5 Ų | 94.5 | 46% | 0.46 | 46% | 0.463 | S | S | . | . | H | α-helix | trans | -62.2 | -41.1 | 177.1 | -73.8 | -73.9 | -179.5 | 83 | -0.5 | 112.1 | Q1259 L1260 Q1266 L1267 | Q1259-R1263 WeakPolarHBondContact O-CB 3.45Å; Q1259-R1263 VanDerWaalsContact O-CG 3.31Å; Q1259-R1263 WeakPolarHBondContact O-CG 3.32Å; Q1259-R1263 PolarHBondContact O-N 3.33Å; L1260-R1263 PolarHBondContact O-N 3.35Å; R1263-Q1266 PolarHBondContact O-N 3.36Å; R1263-L1267 WeakPolarHBondContact O-CG 3.32Å; R1263-L1267 PolarHBondContact O-N 3.34Å |
| 1264 | M | 88.6 | Confident | 83.2 | Confident | 119 Ų | 119 | 96.3 Ų | 96.3 | 59% | 0.586 | 47% | 0.469 | S | S | * | . | H | α-helix | trans | -61.3 | -44.3 | 174.1 | -76.1 | -176.5 | 168.8 | 0 | 0 | 111.9 | L1260 Q1262 Q1266 L1267 V1268 | L1260-M1264 WeakPolarHBondContact O-CG 3.44Å; L1260-M1264 PolarHBondContact O-N 2.88Å; Q1262-M1264 PolarHBondContact O-N 3.43Å; M1264-Q1266 PolarHBondContact O-N 2.96Å; M1264-L1267 PolarHBondContact O-N 3.03Å; M1264-V1268 WeakPolarHBondContact O-CG2 3.47Å; M1264-V1268 PolarHBondContact O-N 2.93Å |
| 1265 | K | 89.4 | Confident | 81.1 | Confident | 131 Ų | 131 | 99.3 Ų | 99.3 | 57% | 0.57 | 48% | 0.48 | S | S | * | . | H | α-helix | trans | -61 | -42.5 | 176.1 | -72.3 | 162.8 | -174.9 | 164.4 | 0 | 111.8 | E1261 Q1262 L1267 V1268 V1269 | E1261-K1265 WeakPolarHBondContact O-CD 3.17Å; E1261-K1265 VanDerWaalsContact O-CG 3.28Å; E1261-K1265 WeakPolarHBondContact O-CG 3.02Å; E1261-K1265 PolarHBondContact O-N 3.01Å; E1261-K1265 IonicContact OE2-NZ 3.36Å; Q1262-K1265 PolarHBondContact O-N 3.04Å; K1265-L1267 PolarHBondContact O-N 3.19Å; K1265-V1268 PolarHBondContact O-N 3.24Å; K1265-V1269 WeakPolarHBondContact O-CG2 3.42Å; K1265-V1269 PolarHBondContact O-N 3.2Å; K1265-V1269 VanDerWaalsContact O-N 3.09Å |
| 1266 | Q | 84.2 | Confident | 78.9 | Confident | 93 Ų | 93 | 101.9 Ų | 101.9 | 44% | 0.435 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -61.8 | -39.7 | 174.1 | -71.3 | 175.7 | -31.9 | 0 | 0 | 112.7 | Q1262 R1263 M1264 T1270 | Q1262-Q1266 WeakPolarHBondContact O-CG 3.43Å; Q1262-Q1266 PolarHBondContact O-N 3.06Å; R1263-Q1266 PolarHBondContact O-N 3.36Å; M1264-Q1266 PolarHBondContact O-N 2.96Å; Q1266-T1270 WeakPolarHBondContact O-CB 3.4Å; Q1266-T1270 WeakPolarHBondContact O-CG2 3.38Å; Q1266-T1270 PolarHBondContact O-N 3.33Å; Q1266-T1270 PolarHBondContact O-OG1 3Å |
| 1267 | L | 84.8 | Confident | 76.5 | Confident | 92 Ų | 92 | 105.5 Ų | 105.5 | 48% | 0.482 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -68 | -38.3 | 177 | -71.8 | 169.1 | 0 | 0 | 0 | 112.5 | R1263 M1264 K1265 T1270 N1271 | R1263-L1267 WeakPolarHBondContact O-CG 3.32Å; R1263-L1267 PolarHBondContact O-N 3.34Å; M1264-L1267 PolarHBondContact O-N 3.03Å; K1265-L1267 PolarHBondContact O-N 3.19Å; L1267-T1270 WeakPolarHBondContact CA-OG1 3.44Å; L1267-T1270 PolarHBondContact O-OG1 2.8Å; L1267-N1271 WeakPolarHBondContact O-CB 3.45Å; L1267-N1271 PolarHBondContact O-N 2.79Å; L1267-N1271 PolarHBondContact O-ND2 3.46Å |
| 1268 | V | 84.8 | Confident | 74.1 | Confident | 83 Ų | 83 | 106.9 Ų | 106.9 | 50% | 0.503 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -64.5 | -45.6 | 175.2 | 172.9 | 0 | 0 | 0 | 0 | 111.1 | M1264 K1265 N1271 H1272 | M1264-V1268 WeakPolarHBondContact O-CG2 3.47Å; M1264-V1268 PolarHBondContact O-N 2.93Å; K1265-V1268 PolarHBondContact O-N 3.24Å; V1268-N1271 PolarHBondContact O-N 2.99Å; V1268-H1272 PolarHBondContact O-N 3.42Å; V1268-H1272 PolarHBondContact O-ND1 2.74Å |
| 1269 | V | 77.8 | Confident | 71.7 | Confident | 92 Ų | 92 | 106.3 Ų | 106.3 | 56% | 0.558 | 52% | 0.519 | S | S | * | . | H | α-helix | trans | -64.7 | -46.3 | 178.4 | 173 | 0 | 0 | 0 | 0 | 111.5 | K1265 N1271 H1272 V1273 | K1265-V1269 WeakPolarHBondContact O-CG2 3.42Å; K1265-V1269 PolarHBondContact O-N 3.2Å; K1265-V1269 VanDerWaalsContact O-N 3.09Å; V1269-N1271 VanDerWaalsContact C-N 3.3Å; V1269-N1271 PolarHBondContact O-N 2.55Å; V1269-H1272 PolarHBondContact O-N 3.49Å; V1269-H1272 VanDerWaalsContact O-N 3.14Å; V1269-V1273 WeakPolarHBondContact O-CG2 3.46Å; V1269-V1273 PolarHBondContact O-N 3.26Å |
| 1270 | T | 74.3 | Confident | 69.2 | Low | 78 Ų | 78 | 107.8 Ų | 107.8 | 48% | 0.479 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -65.9 | -31.4 | 179.1 | 47 | 0 | 0 | 0 | 0 | 112.8 | Q1266 L1267 R1274 | Q1266-T1270 WeakPolarHBondContact O-CB 3.4Å; Q1266-T1270 WeakPolarHBondContact O-CG2 3.38Å; Q1266-T1270 PolarHBondContact O-N 3.33Å; Q1266-T1270 PolarHBondContact O-OG1 3Å; L1267-T1270 WeakPolarHBondContact CA-OG1 3.44Å; L1267-T1270 PolarHBondContact O-OG1 2.8Å; T1270-R1274 PolarHBondContact O-N 2.78Å |
| 1271 | N | 66.4 | Low | 66.5 | Low | 77 Ų | 77 | 111.6 Ų | 111.6 | 41% | 0.412 | 55% | 0.545 | S | S | . | . | H | α-helix | trans | -68.6 | -40.6 | 169.7 | -77.1 | -23.1 | 0 | 0 | 0 | 112.7 | L1267 V1268 V1269 V1273 R1274 H1275 | L1267-N1271 WeakPolarHBondContact O-CB 3.45Å; L1267-N1271 PolarHBondContact O-N 2.79Å; L1267-N1271 PolarHBondContact O-ND2 3.46Å; V1268-N1271 PolarHBondContact O-N 2.99Å; V1269-N1271 VanDerWaalsContact C-N 3.3Å; V1269-N1271 PolarHBondContact O-N 2.55Å; N1271-V1273 VanDerWaalsContact C-N 3.34Å; N1271-V1273 PolarHBondContact O-N 2.82Å; N1271-R1274 WeakPolarHBondContact O-CB 3.26Å; N1271-R1274 PolarHBondContact O-N 3.46Å; N1271-R1274 VanDerWaalsContact O-N 3.14Å; N1271-H1275 PolarHBondContact O-CD2 2.87Å; N1271-H1275 PolarHBondContact O-N 3.07Å |
| 1272 | H | 59.7 | Low | 63.9 | Low | 117 Ų | 117 | 116.9 Ų | 116.9 | 54% | 0.542 | 57% | 0.57 | S | S | . | * | H | α-helix | trans | -61.8 | -41.3 | 174.2 | -79.3 | 67 | 0 | 0 | 0 | 112 | V1268 V1269 R1274 H1275 H1276 | V1268-H1272 PolarHBondContact O-N 3.42Å; V1268-H1272 PolarHBondContact O-ND1 2.74Å; V1269-H1272 PolarHBondContact O-N 3.49Å; V1269-H1272 VanDerWaalsContact O-N 3.14Å; H1272-R1274 VanDerWaalsContact C-N 3.31Å; H1272-R1274 PolarHBondContact O-N 2.99Å; H1272-H1275 PolarHBondContact O-N 3.49Å; H1272-H1276 PolarHBondContact O-CD2 3.36Å; H1272-H1276 PolarHBondContact O-N 2.94Å |
| 1273 | V | 58.3 | Low | 61 | Low | 78 Ų | 78 | 116.3 Ų | 116.3 | 47% | 0.473 | 57% | 0.567 | S | S | . | * | H | α-helix | trans | -61.5 | -38.7 | 173.3 | 172.4 | 0 | 0 | 0 | 0 | 111.4 | V1269 N1271 H1276 H1277 | V1269-V1273 WeakPolarHBondContact O-CG2 3.46Å; V1269-V1273 PolarHBondContact O-N 3.26Å; N1271-V1273 VanDerWaalsContact C-N 3.34Å; N1271-V1273 PolarHBondContact O-N 2.82Å; V1273-H1276 PolarHBondContact O-N 3.23Å; V1273-H1277 PolarHBondContact O-CD2 3.38Å; V1273-H1277 PolarHBondContact O-N 2.87Å |
| 1274 | R | 50.8 | Low | 58.3 | Low | 178 Ų | 178 | 113.6 Ų | 113.6 | 67% | 0.672 | 57% | 0.567 | S | S | * | * | H | α-helix | trans | -62 | -43.1 | 172.3 | -103.8 | 179.2 | 172.7 | 160.7 | -1.9 | 113.1 | T1270 N1271 H1272 H1277 H1278 | T1270-R1274 PolarHBondContact O-N 2.78Å; N1271-R1274 WeakPolarHBondContact O-CB 3.26Å; N1271-R1274 PolarHBondContact O-N 3.46Å; N1271-R1274 VanDerWaalsContact O-N 3.14Å; H1272-R1274 VanDerWaalsContact C-N 3.31Å; H1272-R1274 PolarHBondContact O-N 2.99Å; R1274-H1277 PolarHBondContact O-N 3.3Å; R1274-H1278 PolarHBondContact O-N 3.35Å |
| 1275 | H | 50.2 | Low | 55.6 | Low | 138 Ų | 138 | 112.6 Ų | 112.6 | 64% | 0.639 | 56% | 0.564 | S | S | * | * | H | α-helix | trans | -65.2 | -40.2 | 176.6 | -78.8 | -74.7 | 0 | 0 | 0 | 112.2 | N1271 H1272 H1278 S1279 | N1271-H1275 PolarHBondContact O-CD2 2.87Å; N1271-H1275 PolarHBondContact O-N 3.07Å; H1272-H1275 PolarHBondContact O-N 3.49Å; H1275-H1278 PolarHBondContact O-N 3.3Å; H1275-S1279 PolarHBondContact O-N 2.85Å; H1275-S1279 PolarHBondContact O-OG 3.47Å |
| 1276 | H | 46.8 | Very low | 53.2 | Low | 135 Ų | 135 | 111.7 Ų | 111.7 | 63% | 0.625 | 57% | 0.565 | S | S | * | * | H | α-helix | trans | -66.1 | -36.5 | 174.2 | -86.7 | -79.2 | 0 | 0 | 0 | 113.5 | H1272 V1273 H1278 S1279 H1280 | H1272-H1276 PolarHBondContact O-CD2 3.36Å; H1272-H1276 PolarHBondContact O-N 2.94Å; V1273-H1276 PolarHBondContact O-N 3.23Å; H1276-H1278 VanDerWaalsContact C-N 3.32Å; H1276-H1278 PolarHBondContact O-N 3.03Å; H1276-S1279 PolarHBondContact O-N 3Å; H1276-S1279 PolarHBondContact O-OG 3.22Å; H1276-S1279 VanDerWaalsContact O-OG 3.14Å; H1276-H1280 PolarHBondContact O-N 2.72Å |
| 1277 | H | 44.2 | Very low | 51 | Low | 136 Ų | 136 | 111.5 Ų | 111.5 | 63% | 0.63 | 57% | 0.57 | S | S | * | * | H | α-helix | trans | -67.7 | -31.2 | 172.7 | -89.2 | -67.7 | 0 | 0 | 0 | 113.1 | V1273 R1274 | V1273-H1277 PolarHBondContact O-CD2 3.38Å; V1273-H1277 PolarHBondContact O-N 2.87Å; R1274-H1277 PolarHBondContact O-N 3.3Å |
| 1278 | H | 44.6 | Very low | 48.4 | Very low | 149 Ų | 149 | 114.9 Ų | 114.9 | 69% | 0.69 | 59% | 0.587 | S | S | * | * | H | α-helix | trans | -74.4 | -35.2 | 174.5 | -103 | -67.7 | 0 | 0 | 0 | 113.6 | R1274 H1275 H1276 | R1274-H1278 PolarHBondContact O-N 3.35Å; H1275-H1278 PolarHBondContact O-N 3.3Å; H1276-H1278 VanDerWaalsContact C-N 3.32Å; H1276-H1278 PolarHBondContact O-N 3.03Å |
| 1279 | S | 42.5 | Very low | 46.1 | Very low | 73 Ų | 73 | 114.4 Ų | 114.4 | 51% | 0.51 | 60% | 0.599 | S | S | . | * | H | α-helix | trans | -73.3 | -33.9 | 177.9 | 60.6 | 0 | 0 | 0 | 0 | 113.1 | H1275 H1276 L1281 | H1275-S1279 PolarHBondContact O-N 2.85Å; H1275-S1279 PolarHBondContact O-OG 3.47Å; H1276-S1279 PolarHBondContact O-N 3Å; H1276-S1279 PolarHBondContact O-OG 3.22Å; H1276-S1279 VanDerWaalsContact O-OG 3.14Å; S1279-L1281 PolarHBondContact O-N 2.97Å |
| 1280 | H | 41.3 | Very low | 43.9 | Very low | 130 Ų | 130 | 116.8 Ų | 116.8 | 60% | 0.602 | 61% | 0.609 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -68.9 | -16.7 | -176.4 | -148.6 | -70 | 0 | 0 | 0 | 114.4 | R441 H1276 | R441-H1280 PolarHBondContact NH2-O 2.79Å; H1276-H1280 PolarHBondContact O-N 2.72Å |
| 1281 | L | 35.8 | Very low | 42 | Very low | 141 Ų | 141 | 122.7 Ų | 122.7 | 74% | 0.738 | 63% | 0.628 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -82.4 | -12.8 | -175.9 | -87.4 | 164.6 | 0 | 0 | 0 | 115.7 | S1279 | S1279-L1281 PolarHBondContact O-N 2.97Š|
| 1282 | H | 38.4 | Very low | 40.6 | Very low | 175 Ų | 175 | 124.1 Ų | 124.1 | 81% | 0.81 | 64% | 0.644 | S | S | * | * | S | Bend | trans | -112.3 | 28.5 | -164 | -155 | -76.4 | 0 | 0 | 0 | 116.3 | | |
| 1283 | E | 30.4 | Very low | 39.6 | Very low | 105 Ų | 105 | 124.3 Ų | 124.3 | 49% | 0.491 | 66% | 0.655 | S | S | . | * | | | trans | -151.8 | 49.9 | -170.9 | -171.5 | -170.5 | -154.1 | 0 | 0 | 112 | R441 R442 | R441-E1283 WeakPolarHBondContact CD-O 3.47Å; R441-E1283 WeakPolarHBondContact CD-OE2 3.41Å; R441-E1283 VanDerWaalsContact CZ-O 3.29Å; R441-E1283 IonicContact CZ-OE2 3Å; R441-E1283 PolarHBondContact NE-O 3.25Å; R441-E1283 IonicContact NE-OE2 2.69Å; R441-E1283 PolarHBondContact NE-OE2 3.26Å; R441-E1283 PolarHBondContact NH1-O 2.76Å; R441-E1283 IonicContact NH2-OE2 2.69Å; R441-E1283 PolarHBondContact NH2-OE2 2.74Å; R442-E1283 PolarHBondContact NE-O 2.96Å |
| 1284 | S | 30.3 | Very low | 38.5 | Very low | 65 Ų | 65 | 126.9 Ų | 126.9 | 46% | 0.455 | 67% | 0.671 | S | S | . | * | | | trans | -130.1 | 45.2 | -169.4 | -42.5 | 0 | 0 | 0 | 0 | 115.9 | R441 | R441-S1284 PolarHBondContact NH1-OG 2.96Š|
| 1285 | N | 33.4 | Very low | 37.7 | Very low | 98 Ų | 98 | 125.3 Ų | 125.3 | 52% | 0.524 | 68% | 0.676 | S | S | . | * | | | trans | -148 | 143.4 | 156.7 | -74.8 | -57.4 | 0 | 0 | 0 | 109.4 | R442 | R442-N1285 WeakPolarHBondContact CD-O 3.22Å; R442-N1285 PolarHBondContact NE-O 3.11Å; R442-N1285 PolarHBondContact NH1-O 2.8Å; R442-N1285 PolarHBondContact NH2-O 3.38Å |
| 1286 | D | 37.8 | Very low | 36.9 | Very low | 113 Ų | 113 | 123.4 Ų | 123.4 | 60% | 0.604 | 68% | 0.678 | S | S | * | * | | | trans | 94.8 | 80.7 | -175.8 | -37.7 | -36.2 | 0 | 0 | 0 | 115.7 | R442 | R442-D1286 VanDerWaalsContact CD-C 3.49Å; R442-D1286 WeakPolarHBondContact CD-O 3.4Å; R442-D1286 PolarHBondContact NH1-O 3.36Å |
| 1287 | V | 38.1 | Very low | 36.2 | Very low | 89 Ų | 89 | 123.6 Ų | 123.6 | 54% | 0.539 | 68% | 0.684 | S | S | . | * | | | | 77.1 | 99.2 | 65.3 | -176.1 | 0 | 0 | 0 | 0 | 114.8 | N443 | N443-V1287 VanDerWaalsContact ND2-CG2 3.31Å; N443-V1287 WeakPolarHBondContact ND2-CG2 3.22Å |
| 1288 | I | 31 | Very low | 35.7 | Very low | 162 Ų | 162 | 124.2 Ų | 124.2 | 83% | 0.831 | 69% | 0.692 | S | S | * | * | | | trans | 28 | 122.1 | 142 | -51.5 | 174.3 | 0 | 0 | 0 | 118.9 | | |
| 1289 | G | 36.8 | Very low | 35 | Very low | 73 Ų | 73 | 123.7 Ų | 123.7 | 75% | 0.753 | 69% | 0.694 | S | S | * | * | | | trans | -174.1 | 115.8 | 157.4 | 0 | 0 | 0 | 0 | 0 | 112.1 | | |
| 1290 | D | 30.3 | Very low | 34.6 | Very low | 143 Ų | 143 | 126.7 Ų | 126.7 | 77% | 0.765 | 71% | 0.709 | S | S | * | * | | | trans | -71.7 | 144.8 | 177.1 | -62.8 | -70.3 | 0 | 0 | 0 | 112.5 | | |
| 1291 | F | 35.4 | Very low | 34.2 | Very low | 202 Ų | 202 | 125.3 Ų | 125.3 | 89% | 0.886 | 71% | 0.71 | S | S | * | * | | | | 173.5 | 159.7 | 112.9 | -100.3 | -74.7 | 0 | 0 | 0 | 112.4 | | |
| 1292 | S | 35.9 | Very low | 34 | Very low | 106 Ų | 106 | 125.3 Ų | 125.3 | 74% | 0.741 | 71% | 0.711 | S | S | * | * | | | trans | -84 | 151.8 | -167.8 | 53.7 | 0 | 0 | 0 | 0 | 115.9 | | |
| 1293 | P | 39.6 | Very low | 33.7 | Very low | 121 Ų | 121 | 122.4 Ų | 122.4 | 79% | 0.786 | 71% | 0.706 | S | S | * | * | | | trans | -96.8 | 154.5 | -175.6 | 37.7 | -35.9 | 0 | 0 | 0 | 115.5 | | |
| 1294 | V | 35.8 | Very low | 33.9 | Very low | 133 Ų | 133 | 123.3 Ų | 123.3 | 81% | 0.806 | 72% | 0.719 | S | S | * | * | | | trans | -146.2 | 114.8 | 159.2 | 177.8 | 0 | 0 | 0 | 0 | 111.3 | | |
| 1295 | D | 32.1 | Very low | 34.1 | Very low | 145 Ų | 145 | 124.6 Ų | 124.6 | 78% | 0.775 | 73% | 0.728 | S | S | * | * | | | trans | 40 | 130.3 | 144.5 | -56 | -21.1 | 0 | 0 | 0 | 126 | | |
| 1296 | S | 35 | Very low | 34.1 | Very low | 97 Ų | 97 | 128 Ų | 128 | 68% | 0.678 | 75% | 0.746 | S | S | * | * | | | trans | 84.7 | 111.4 | 131.9 | -69.4 | 0 | 0 | 0 | 0 | 123.9 | | |
| 1297 | N | 32 | Very low | 33.8 | Very low | 139 Ų | 139 | 126 Ų | 126 | 74% | 0.743 | 75% | 0.752 | S | S | * | * | | | | 51.7 | 123.6 | 127.2 | -52 | -28.2 | 0 | 0 | 0 | 119.5 | | |
| 1298 | N | 33 | Very low | 34.1 | Very low | 150 Ų | 150 | 127.2 Ų | 127.2 | 80% | 0.802 | 76% | 0.762 | S | S | * | * | | | | -171.1 | 172.2 | 66.8 | -119.8 | -42.9 | 0 | 0 | 0 | 116 | | |
| 1299 | N | 29.4 | Very low | 34.1 | Very low | 137 Ų | 137 | 126.9 Ų | 126.9 | 73% | 0.733 | 76% | 0.76 | S | S | * | * | | | trans | -72 | 156.5 | -171.3 | -57.7 | -73.4 | 0 | 0 | 0 | 117.8 | | |
| 1300 | T | 34.2 | Very low | 33.9 | Very low | 136 Ų | 136 | 132.9 Ų | 132.9 | 83% | 0.834 | 76% | 0.761 | S | S | * | * | | | | 171.9 | 152.2 | 129.5 | 28.4 | 0 | 0 | 0 | 0 | 110.4 | | |
| 1301 | T | 33.5 | Very low | 34.1 | Very low | 101 Ų | 101 | 130.7 Ų | 130.7 | 62% | 0.62 | 76% | 0.757 | S | S | * | * | | | cis | -174.3 | 154.1 | -40.2 | 26.3 | 0 | 0 | 0 | 0 | 108.7 | | |
| 1302 | N | 30.8 | Very low | 33.8 | Very low | 141 Ų | 141 | 129.4 Ų | 129.4 | 75% | 0.754 | 75% | 0.746 | S | S | * | * | | | trans | 74 | 147.5 | 156.8 | -62.3 | -15 | 0 | 0 | 0 | 118.3 | | |
| 1303 | T | 33.8 | Very low | 33.5 | Very low | 115 Ų | 115 | 131 Ų | 131 | 71% | 0.706 | 74% | 0.737 | S | S | * | * | | | cis | -158.7 | 159.1 | 1.5 | 3.4 | 0 | 0 | 0 | 0 | 115.3 | | |
| 1304 | T | 33.5 | Very low | 33.2 | Very low | 123 Ų | 123 | 134.2 Ų | 134.2 | 76% | 0.755 | 74% | 0.735 | S | S | * | * | | | trans | 79.5 | 131.8 | 146.1 | 41.6 | 0 | 0 | 0 | 0 | 125.4 | | |
| 1305 | S | 33.9 | Very low | 32.8 | Very low | 92 Ų | 92 | 133 Ų | 133 | 64% | 0.643 | 73% | 0.732 | S | S | * | * | | | trans | 70.8 | 90.1 | 139.7 | 66 | 0 | 0 | 0 | 0 | 122.2 | | |
| 1306 | N | 34.2 | Very low | 32.6 | Very low | 169 Ų | 169 | 135.1 Ų | 135.1 | 90% | 0.904 | 74% | 0.737 | S | S | * | * | | | | 165.5 | 155.6 | 99.2 | -82.7 | -19 | 0 | 0 | 0 | 113.6 | | |
| 1307 | G | 31.5 | Very low | 32.3 | Very low | 71 Ų | 71 | 136.2 Ų | 136.2 | 73% | 0.732 | 75% | 0.745 | S | S | * | * | | | trans | -178.7 | -157.3 | 174.8 | 0 | 0 | 0 | 0 | 0 | 108.6 | | |
| 1308 | P | 43.7 | Very low | 32.1 | Very low | 115 Ų | 115 | 138.6 Ų | 138.6 | 75% | 0.747 | 75% | 0.751 | S | S | * | * | | | cis | -135.8 | 167.4 | -13.7 | 41.2 | -26.2 | 0 | 0 | 0 | 114.3 | | |
| 1309 | I | 32.6 | Very low | 32.3 | Very low | 156 Ų | 156 | 136.1 Ų | 136.1 | 80% | 0.8 | 74% | 0.743 | S | S | * | * | | | trans | -132.1 | 151.8 | 156.6 | -67 | -172.2 | 0 | 0 | 0 | 110.5 | | |
| 1310 | Y | 32.1 | Very low | 32.4 | Very low | 199 Ų | 199 | 138.9 Ų | 138.9 | 78% | 0.78 | 75% | 0.751 | S | S | * | * | | | trans | -79.5 | 166.2 | -172.8 | -84.6 | -112 | 0 | 0 | 0 | 113.3 | | |
| 1311 | S | 33.4 | Very low | 32.2 | Very low | 96 Ų | 96 | 136.4 Ų | 136.4 | 67% | 0.671 | 75% | 0.745 | S | S | * | * | | | cis | -147.1 | 162.2 | -2.4 | 56.5 | 0 | 0 | 0 | 0 | 108.6 | | |
| 1312 | R | 29 | Very low | 31.9 | Very low | 175 Ų | 175 | 139.6 Ų | 139.6 | 66% | 0.66 | 76% | 0.757 | S | S | * | * | | | cis | 57.8 | 138.8 | 49.4 | -75.9 | 173.8 | 169 | -167.4 | -2.4 | 111.5 | | |
| 1313 | Y | 31.1 | Very low | 32 | Very low | 139 Ų | 139 | 140.5 Ų | 140.5 | 55% | 0.545 | 76% | 0.757 | S | S | . | * | | | cis | -161 | -179.2 | 8.2 | -104.8 | -40.3 | 0 | 0 | 0 | 107.5 | | |
| 1314 | Y | 32.6 | Very low | 32 | Very low | 190 Ų | 190 | 142.2 Ų | 142.2 | 75% | 0.745 | 76% | 0.757 | S | S | * | * | | | cis | -144.4 | 171.1 | 7.5 | -116.4 | -52.8 | 0 | 0 | 0 | 110.7 | | |
| 1315 | S | 27.6 | Very low | 31.8 | Very low | 107 Ų | 107 | 141.8 Ų | 141.8 | 75% | 0.748 | 75% | 0.754 | S | S | * | * | | | trans | -120.3 | 163.9 | -171.2 | -44.6 | 0 | 0 | 0 | 0 | 112.9 | | |
| 1316 | H | 27.3 | Very low | 31.9 | Very low | 190 Ų | 190 | 143.1 Ų | 143.1 | 88% | 0.88 | 76% | 0.759 | S | S | * | * | | | trans | -65.5 | 140.5 | 163.3 | -71.2 | -49.5 | 0 | 0 | 0 | 112 | | |
| 1317 | S | 28.3 | Very low | 31.8 | Very low | 120 Ų | 120 | 143 Ų | 143 | 84% | 0.839 | 75% | 0.753 | S | S | * | * | | | | 176.9 | 139.4 | 125.1 | 56 | 0 | 0 | 0 | 0 | 113.4 | | |
| 1318 | H | 27.9 | Very low | 31.9 | Very low | 188 Ų | 188 | 146.3 Ų | 146.3 | 87% | 0.87 | 75% | 0.754 | S | S | * | * | | | trans | -106.2 | 177.8 | 159.6 | -127.5 | -1.7 | 0 | 0 | 0 | 107.5 | | |
| 1319 | P | 38.6 | Very low | 31.5 | Very low | 99 Ų | 99 | 146.4 Ų | 146.4 | 64% | 0.643 | 75% | 0.748 | S | S | * | * | | | cis | -132.6 | -171.6 | -10.9 | 41.7 | -25.3 | 0 | 0 | 0 | 112.9 | | |
| 1320 | H | 30.5 | Very low | 31.5 | Very low | 194 Ų | 194 | 147.3 Ų | 147.3 | 90% | 0.898 | 75% | 0.749 | S | S | * | * | | | trans | -160.4 | 159.7 | 146.4 | -115.5 | -80.9 | 0 | 0 | 0 | 110.1 | | |
| 1321 | A | 29.9 | Very low | 31.3 | Very low | 85 Ų | 85 | 145.8 Ų | 145.8 | 70% | 0.702 | 75% | 0.753 | S | S | * | * | | | trans | -149.6 | 165.2 | -177.8 | 0 | 0 | 0 | 0 | 0 | 112.9 | | |
| 1322 | L | 27.8 | Very low | 31.7 | Very low | 168 Ų | 168 | 146.5 Ų | 146.5 | 88% | 0.88 | 76% | 0.756 | S | S | * | * | | | trans | 67.5 | 112.9 | 170.4 | -76.1 | 152.9 | 0 | 0 | 0 | 118.2 | | |
| 1323 | E | 32.4 | Very low | 31.8 | Very low | 159 Ų | 159 | 145.3 Ų | 145.3 | 74% | 0.743 | 76% | 0.761 | S | S | * | * | | | | -160.6 | 145.6 | 103.9 | -98.8 | -163.6 | 127.6 | 0 | 0 | 112.6 | | |
| 1324 | Q | 33.3 | Very low | 32 | Very low | 151 Ų | 151 | 142.5 Ų | 142.5 | 71% | 0.706 | 77% | 0.774 | S | S | * | * | | | trans | 31.3 | 145.3 | 142 | -54.8 | -169.5 | 38.9 | 0 | 0 | 121.7 | | |
| 1325 | T | 29.3 | Very low | 31.9 | Very low | 115 Ų | 115 | 140.5 Ų | 140.5 | 71% | 0.706 | 77% | 0.771 | S | S | * | * | | | cis | -168.6 | 175.2 | -3.1 | 18.8 | 0 | 0 | 0 | 0 | 109.4 | | |
| 1326 | T | 36 | Very low | 32.2 | Very low | 120 Ų | 120 | 140.8 Ų | 140.8 | 74% | 0.736 | 77% | 0.772 | S | S | * | * | | | trans | 89.8 | 138.9 | 175.9 | 74.7 | 0 | 0 | 0 | 0 | 116.8 | | |
| 1327 | E | 33.1 | Very low | 32.4 | Very low | 166 Ų | 166 | 138 Ų | 138 | 78% | 0.776 | 76% | 0.764 | S | S | * | * | | | cis | -160.5 | 155 | -26.7 | -122.7 | 162 | -169.2 | 0 | 0 | 108.3 | | |
| 1328 | D | 33.9 | Very low | 32.7 | Very low | 140 Ų | 140 | 137.8 Ų | 137.8 | 75% | 0.749 | 76% | 0.76 | S | S | * | * | | | trans | 61.1 | 142.9 | 163.8 | -82.2 | 16.1 | 0 | 0 | 0 | 119.8 | | |
| 1329 | N | 34.3 | Very low | 33 | Very low | 118 Ų | 118 | 137 Ų | 137 | 63% | 0.631 | 76% | 0.757 | S | S | * | * | | | cis | -155.7 | 160.4 | -3.8 | -139.6 | -49.4 | 0 | 0 | 0 | 111.9 | | |
| 1330 | Q | 34.2 | Very low | 32.8 | Very low | 174 Ų | 174 | 137.8 Ų | 137.8 | 81% | 0.813 | 76% | 0.763 | S | S | * | * | | | trans | 64.7 | 93.5 | 164 | -57.9 | -178.1 | 13.7 | 0 | 0 | 121.1 | | |
| 1331 | L | 27.9 | Very low | 33.2 | Very low | 167 Ų | 167 | 134 Ų | 134 | 87% | 0.874 | 76% | 0.759 | S | S | * | * | | | trans | -98.9 | 163.7 | 130.7 | -78.7 | 166.1 | 0 | 0 | 0 | 108.2 | | |
| 1332 | P | 40.3 | Very low | 33.6 | Very low | 112 Ų | 112 | 142.8 Ų | 142.8 | 73% | 0.727 | 79% | 0.785 | S | S | * | * | | | | -152.6 | 138.3 | 105.2 | 34.5 | -15.2 | 0 | 0 | 0 | 118.2 | | |
| 1333 | I | 32 | Very low | 33.9 | Very low | 150 Ų | 150 | 141.5 Ų | 141.5 | 77% | 0.769 | 78% | 0.78 | S | S | * | * | | | trans | 71.5 | 119.8 | 130.9 | -61.9 | 170.4 | 0 | 0 | 0 | 120.1 | | |
| 1334 | G | 34.2 | Very low | 34 | Very low | 79 Ų | 79 | 140.6 Ų | 140.6 | 81% | 0.814 | 78% | 0.782 | S | S | * | * | | | trans | -169.9 | 67 | 165.8 | 0 | 0 | 0 | 0 | 0 | 110.9 | | |
| 1335 | H | 31.2 | Very low | 34.1 | Very low | 148 Ų | 148 | 140 Ų | 140 | 69% | 0.685 | 79% | 0.787 | S | S | * | * | | | trans | -71.6 | 137.4 | -167.4 | -82.9 | -115.4 | 0 | 0 | 0 | 115 | | |
| 1336 | C | 33.4 | Very low | 34.3 | Very low | 113 Ų | 113 | 141.5 Ų | 141.5 | 76% | 0.764 | 79% | 0.791 | S | S | * | * | | | | 178.5 | 111.2 | 113.6 | -88.3 | 0 | 0 | 0 | 0 | 109.7 | | |
| 1337 | N | 32.7 | Very low | 34.2 | Very low | 133 Ų | 133 | 142.8 Ų | 142.8 | 71% | 0.711 | 80% | 0.795 | S | S | * | * | | | | 62.5 | 101.6 | 90 | -77.7 | 6 | 0 | 0 | 0 | 114.8 | | |
| 1338 | C | 34.3 | Very low | 34.3 | Very low | 114 Ų | 114 | 141.3 Ų | 141.3 | 77% | 0.77 | 80% | 0.796 | S | S | * | * | | | | 178.8 | 138.8 | 94 | -95.3 | 0 | 0 | 0 | 0 | 114.8 | | |
| 1339 | H | 33.7 | Very low | 34.3 | Very low | 173 Ų | 173 | 141.4 Ų | 141.4 | 80% | 0.801 | 80% | 0.799 | S | S | * | * | | | trans | 40.7 | 114.4 | 150.4 | -73.4 | -78 | 0 | 0 | 0 | 123.8 | | |
| 1340 | C | 35.3 | Very low | 34.3 | Very low | 114 Ų | 114 | 143.2 Ų | 143.2 | 77% | 0.77 | 81% | 0.812 | S | S | * | * | | | trans | -9.4 | 159.3 | 140.2 | -48.2 | 0 | 0 | 0 | 0 | 121.9 | | |
| 1341 | S | 37.8 | Very low | 34.4 | Very low | 115 Ų | 115 | 140.6 Ų | 140.6 | 80% | 0.804 | 81% | 0.812 | S | S | * | * | | | trans | 89 | 86.1 | 148.3 | -54.7 | 0 | 0 | 0 | 0 | 118.3 | | |
| 1342 | Q | 39.6 | Very low | 34.9 | Very low | 269 Ų | 269 | 138.2 Ų | 138.2 | 100% | 1.257 | 81% | 0.807 | S | S | * | * | | | | -142.4 | 0 | 83.7 | -128 | 175.2 | 11.5 | 0 | 0 | 111.6 | | |