| 1 | M | 34 | Very low | 41.6 | Very low | 234 Ų | 234 | 155.1 Ų | 155.1 | 100% | 1.153 | 86% | 0.859 | S | S | * | * | | | | 0 | 138 | 0 | -72.9 | 161.1 | 165 | 0 | 0 | 106.9 | | |
| 2 | E | 39.8 | Very low | 41.6 | Very low | 201 Ų | 201 | 157.8 Ų | 157.8 | 94% | 0.939 | 86% | 0.856 | S | S | * | * | | | trans | 46.6 | 135.8 | 159.5 | -60.1 | 174.2 | -167 | 0 | 0 | 119.7 | | |
| 3 | G | 36.6 | Very low | 41.7 | Very low | 71 Ų | 71 | 161.5 Ų | 161.5 | 73% | 0.732 | 86% | 0.859 | S | S | * | * | | | cis | 157.3 | 128.7 | -4.9 | 0 | 0 | 0 | 0 | 0 | 111.1 | | |
| 4 | E | 45.3 | Very low | 41.9 | Very low | 197 Ų | 197 | 162.6 Ų | 162.6 | 92% | 0.921 | 86% | 0.857 | S | S | * | * | | | trans | -132.8 | 133.9 | 179.1 | -68.1 | -169.1 | 138.6 | 0 | 0 | 112.2 | | |
| 5 | N | 43.5 | Very low | 42 | Very low | 174 Ų | 174 | 163.3 Ų | 163.3 | 93% | 0.93 | 85% | 0.85 | S | S | * | * | | | trans | -111.1 | 154.4 | 168.5 | -59.6 | -69.4 | 0 | 0 | 0 | 107.7 | | |
| 6 | G | 39.4 | Very low | 42.4 | Very low | 78 Ų | 78 | 163.9 Ų | 163.9 | 80% | 0.804 | 84% | 0.844 | S | S | * | * | | | cis | 151.8 | 104.2 | 2.2 | 0 | 0 | 0 | 0 | 0 | 109.9 | | |
| 7 | E | 44.1 | Very low | 42.3 | Very low | 164 Ų | 164 | 164.2 Ų | 164.2 | 77% | 0.766 | 84% | 0.84 | S | S | * | * | | | trans | -84.3 | 148.9 | 179.2 | -74.1 | -161.2 | 161.4 | 0 | 0 | 113.2 | K9 | E7-K9 VanDerWaalsContact OE2-CE 3.29Å; E7-K9 WeakPolarHBondContact OE2-CE 3.43Å; E7-K9 IonicContact OE2-NZ 2.81Å; E7-K9 PolarHBondContact OE2-NZ 2.69Å |
| 8 | A | 42.7 | Very low | 42.7 | Very low | 104 Ų | 104 | 165.6 Ų | 165.6 | 86% | 0.86 | 84% | 0.839 | S | S | * | * | | | trans | -142.2 | 137.5 | 163.2 | 0 | 0 | 0 | 0 | 0 | 112.3 | | |
| 9 | K | 46.3 | Very low | 42.4 | Very low | 166 Ų | 166 | 169.3 Ų | 169.3 | 72% | 0.722 | 84% | 0.842 | S | S | * | * | | | trans | -125.3 | 138.9 | -178.8 | -64.7 | 163.6 | -176.1 | 142.8 | 0 | 109.8 | E7 | E7-K9 VanDerWaalsContact OE2-CE 3.29Å; E7-K9 WeakPolarHBondContact OE2-CE 3.43Å; E7-K9 IonicContact OE2-NZ 2.81Å; E7-K9 PolarHBondContact OE2-NZ 2.69Å |
| 10 | I | 41.8 | Very low | 41.8 | Very low | 162 Ų | 162 | 164.2 Ų | 164.2 | 83% | 0.831 | 83% | 0.834 | S | S | * | * | | | trans | -137.5 | 144.6 | 168.9 | -62.5 | -175.4 | 0 | 0 | 0 | 110.9 | | |
| 11 | I | 44.6 | Very low | 41.8 | Very low | 155 Ų | 155 | 165.1 Ų | 165.1 | 80% | 0.795 | 84% | 0.835 | S | S | * | * | | | trans | -128.7 | 138 | -170.3 | -58.7 | 162.5 | 0 | 0 | 0 | 111.1 | | |
| 12 | K | 41.6 | Very low | 41.7 | Very low | 188 Ų | 188 | 161.1 Ų | 161.1 | 82% | 0.817 | 82% | 0.817 | S | S | * | * | | | trans | -157 | 159.4 | 164.5 | -63.7 | -173.8 | -176.3 | 174.5 | 0 | 109.9 | | |
| 13 | K | 42.2 | Very low | 41.4 | Very low | 206 Ų | 206 | 157.2 Ų | 157.2 | 90% | 0.896 | 81% | 0.811 | S | S | * | * | | | cis | -168 | 156.1 | -47.3 | -119.7 | 178.8 | 179.4 | 178 | 0 | 108.3 | | |
| 14 | E | 44.2 | Very low | 41.6 | Very low | 177 Ų | 177 | 158.7 Ų | 158.7 | 83% | 0.827 | 81% | 0.81 | S | S | * | * | | | trans | -80.1 | 177.8 | -178 | -50.2 | 173.8 | 80.5 | 0 | 0 | 115.7 | | |
| 15 | K | 44.5 | Very low | 42.1 | Very low | 173 Ų | 173 | 155.1 Ų | 155.1 | 75% | 0.752 | 80% | 0.804 | S | S | * | * | | | | 161.8 | 107.4 | 103.5 | -175 | 179.4 | -179.9 | -176.3 | 0 | 118.9 | | |
| 16 | K | 47.6 | Very low | 41.6 | Very low | 173 Ų | 173 | 153.8 Ų | 153.8 | 75% | 0.752 | 79% | 0.792 | S | S | * | * | | | trans | 65.2 | 167.1 | 145.1 | -55.3 | 179.5 | -175.7 | -175.6 | 0 | 118.7 | | |
| 17 | Q | 41.5 | Very low | 41.7 | Very low | 169 Ų | 169 | 158.3 Ų | 158.3 | 79% | 0.79 | 80% | 0.796 | S | S | * | * | | | cis | -140.7 | 152 | 15.9 | -32.9 | -174.8 | 10.8 | 0 | 0 | 113.2 | | |
| 18 | K | 48.3 | Very low | 41.8 | Very low | 188 Ų | 188 | 157.6 Ų | 157.6 | 82% | 0.817 | 79% | 0.793 | S | S | * | * | | | | 59 | 149.4 | 101.4 | -58.8 | -169.2 | 174 | -172.7 | 0 | 117.3 | | |
| 19 | R | 36.9 | Very low | 41.6 | Very low | 237 Ų | 237 | 160.3 Ų | 160.3 | 89% | 0.894 | 79% | 0.791 | S | S | * | * | | | cis | -162.5 | 158.7 | 20 | -159.1 | -179.5 | -177.3 | 177.7 | -0 | 113.6 | | |
| 20 | G | 31.3 | Very low | 41.2 | Very low | 67 Ų | 67 | 158.4 Ų | 158.4 | 69% | 0.691 | 80% | 0.797 | S | S | * | * | | | trans | 121.2 | 116.2 | 168.2 | 0 | 0 | 0 | 0 | 0 | 113.1 | | |
| 21 | Q | 41.8 | Very low | 40.9 | Very low | 183 Ų | 183 | 155.4 Ų | 155.4 | 86% | 0.855 | 80% | 0.797 | S | S | * | * | | | cis | 74.8 | 125.5 | 46.3 | -132.5 | -179.6 | -10.4 | 0 | 0 | 111.6 | | |
| 22 | I | 32.4 | Very low | 40.5 | Very low | 150 Ų | 150 | 152.5 Ų | 152.5 | 77% | 0.769 | 80% | 0.796 | S | S | * | * | | | cis | -150.4 | 142.6 | 40.9 | -71.9 | 160 | 0 | 0 | 0 | 113.6 | | |
| 23 | C | 32.5 | Very low | 40.2 | Very low | 120 Ų | 120 | 152.1 Ų | 152.1 | 81% | 0.811 | 80% | 0.797 | S | S | * | * | | | trans | 44.6 | 156.6 | 148.5 | -145.1 | 0 | 0 | 0 | 0 | 125.5 | | |
| 24 | S | 40.2 | Very low | 39.9 | Very low | 102 Ų | 102 | 149.9 Ų | 149.9 | 71% | 0.713 | 80% | 0.795 | S | S | * | * | | | trans | -141.2 | 162.4 | 172.5 | -47.5 | 0 | 0 | 0 | 0 | 110.8 | | |
| 25 | P | 57 | Low | 39.3 | Very low | 122 Ų | 122 | 144.9 Ų | 144.9 | 79% | 0.792 | 79% | 0.791 | S | S | * | * | | | trans | -120.2 | 142.6 | 133.9 | -0.1 | 21.6 | 0 | 0 | 0 | 110.3 | | |
| 26 | E | 32.5 | Very low | 38.9 | Very low | 145 Ų | 145 | 142.9 Ų | 142.9 | 68% | 0.678 | 80% | 0.799 | S | S | * | * | | | | 77.1 | 107.9 | 58.8 | -163.1 | -173.5 | 157.8 | 0 | 0 | 113.8 | Q28 | E26-Q28 PolarHBondContact OE1-NE2 2.99Š|
| 27 | I | 42.3 | Very low | 38.3 | Very low | 173 Ų | 173 | 143.2 Ų | 143.2 | 89% | 0.887 | 80% | 0.803 | S | S | * | * | | | trans | -134.6 | 141.2 | 154 | -65.7 | -176 | 0 | 0 | 0 | 106.9 | | |
| 28 | Q | 45.3 | Very low | 38 | Very low | 149 Ų | 149 | 140.2 Ų | 140.2 | 70% | 0.696 | 81% | 0.807 | S | S | * | * | | | trans | -91.9 | 160.6 | -160.9 | -68.3 | 164.7 | -8 | 0 | 0 | 114.3 | E26 | E26-Q28 PolarHBondContact OE1-NE2 2.99Š|
| 29 | I | 39.2 | Very low | 37.5 | Very low | 162 Ų | 162 | 140.1 Ų | 140.1 | 83% | 0.831 | 81% | 0.806 | S | S | * | * | | | trans | -97.3 | 137 | 166.7 | -60.4 | 171 | 0 | 0 | 0 | 108 | | |
| 30 | C | 38.5 | Very low | 37.5 | Very low | 125 Ų | 125 | 137.3 Ų | 137.3 | 85% | 0.845 | 81% | 0.807 | S | S | * | * | | | trans | -127.7 | 153.5 | 160.1 | -73.8 | 0 | 0 | 0 | 0 | 109.7 | | |
| 31 | A | 34.4 | Very low | 37.6 | Very low | 100 Ų | 100 | 143.5 Ų | 143.5 | 83% | 0.826 | 82% | 0.815 | S | S | * | * | | | trans | -135.9 | 151.5 | -169.7 | 0 | 0 | 0 | 0 | 0 | 112.8 | | |
| 32 | A | 36.2 | Very low | 37.6 | Very low | 93 Ų | 93 | 144.5 Ų | 144.5 | 77% | 0.769 | 82% | 0.817 | S | S | * | * | | | trans | -152.6 | 111.8 | 153.5 | 0 | 0 | 0 | 0 | 0 | 104.5 | | |
| 33 | E | 34.5 | Very low | 37.7 | Very low | 180 Ų | 180 | 147.5 Ų | 147.5 | 84% | 0.841 | 82% | 0.824 | S | S | * | * | | | | 79.4 | 148.5 | 60.6 | -165.2 | 163.4 | -124 | 0 | 0 | 112.7 | | |
| 34 | N | 37 | Very low | 38.1 | Very low | 159 Ų | 159 | 153.7 Ų | 153.7 | 85% | 0.85 | 83% | 0.83 | S | S | * | * | | | trans | 72.1 | 111.3 | -158.5 | -48.7 | -70.1 | 0 | 0 | 0 | 113.4 | | |
| 35 | G | 31.3 | Very low | 37.8 | Very low | 72 Ų | 72 | 159 Ų | 159 | 74% | 0.742 | 84% | 0.841 | S | S | * | * | | | cis | 123.8 | 92.6 | -6.9 | 0 | 0 | 0 | 0 | 0 | 113.5 | | |
| 36 | S | 35.9 | Very low | 36.8 | Very low | 132 Ų | 132 | 161.8 Ų | 161.8 | 92% | 0.923 | 84% | 0.84 | S | S | * | * | | | trans | -163.8 | 145.4 | 155.7 | -89.4 | 0 | 0 | 0 | 0 | 110.9 | | |
| 37 | Q | 35.8 | Very low | 36.8 | Very low | 180 Ų | 180 | 159.8 Ų | 159.8 | 84% | 0.841 | 84% | 0.838 | S | S | * | * | | | trans | -106.9 | 143.3 | -174.6 | -52.7 | -178.4 | 27.9 | 0 | 0 | 111.5 | | |
| 38 | A | 34.9 | Very low | 36.1 | Very low | 105 Ų | 105 | 159.7 Ų | 159.7 | 87% | 0.868 | 83% | 0.833 | S | S | * | * | | | trans | -155.3 | 117.1 | 147 | 0 | 0 | 0 | 0 | 0 | 111 | | |
| 39 | K | 37.1 | Very low | 35.4 | Very low | 187 Ų | 187 | 158 Ų | 158 | 81% | 0.813 | 83% | 0.833 | S | S | * | * | | | trans | -93.7 | 140.8 | 167.1 | -60.8 | 163.3 | -176.2 | 163.5 | 0 | 108.2 | | |
| 40 | I | 37.1 | Very low | 34.9 | Very low | 178 Ų | 178 | 157 Ų | 157 | 91% | 0.913 | 83% | 0.834 | S | S | * | * | | | trans | -154.3 | 158.5 | 150.3 | -108.3 | 148.6 | 0 | 0 | 0 | 111 | | |
| 41 | K | 33.2 | Very low | 34.5 | Very low | 197 Ų | 197 | 155.5 Ų | 155.5 | 86% | 0.857 | 83% | 0.831 | S | S | * | * | | | trans | -100.2 | 162.4 | -156.2 | -62.3 | 171 | -178 | 171.9 | 0 | 113.6 | | |
| 42 | K | 42.1 | Very low | 34.4 | Very low | 203 Ų | 203 | 158.8 Ų | 158.8 | 88% | 0.883 | 83% | 0.827 | S | S | * | * | | | trans | -21.7 | 141.4 | 159.1 | -62.1 | 172.7 | 176.6 | 174.6 | 0 | 115.1 | | |
| 43 | K | 33.7 | Very low | 34.1 | Very low | 214 Ų | 214 | 160 Ų | 160 | 93% | 0.93 | 82% | 0.817 | S | S | * | * | | | | -153.3 | 137.9 | 128.8 | -112.9 | 166 | -174.9 | 177.9 | 0 | 111.8 | | |
| 44 | R | 40.9 | Very low | 34.2 | Very low | 249 Ų | 249 | 160 Ų | 160 | 94% | 0.94 | 81% | 0.814 | S | S | * | * | | | trans | -90.1 | 147.8 | 162.1 | -71.3 | 175.3 | 169.7 | 171.4 | -5.8 | 108 | | |
| 45 | K | 35.7 | Very low | 33.9 | Very low | 214 Ų | 214 | 161.6 Ų | 161.6 | 93% | 0.93 | 82% | 0.816 | S | S | * | * | | | trans | -140.5 | 164.4 | 152.9 | -142.6 | -174.4 | 177.8 | -166.8 | 0 | 109.5 | | |
| 46 | K | 35.3 | Very low | 34.1 | Very low | 181 Ų | 181 | 166.4 Ų | 166.4 | 79% | 0.787 | 82% | 0.82 | S | S | * | * | | | trans | -157.3 | 146.6 | -159.7 | -169.8 | -151.5 | 172.1 | -167.3 | 0 | 109.1 | | |
| 47 | V | 31.9 | Very low | 34 | Very low | 102 Ų | 102 | 169.8 Ų | 169.8 | 62% | 0.618 | 82% | 0.818 | S | S | * | * | | | trans | 66.6 | 136.5 | 173.5 | -147.7 | 0 | 0 | 0 | 0 | 112.2 | | |
| 48 | E | 27.5 | Very low | 33.9 | Very low | 171 Ų | 171 | 165.8 Ų | 165.8 | 80% | 0.799 | 82% | 0.815 | S | S | * | * | | | cis | -142 | 161.7 | 44 | -75.7 | 165.7 | 107.3 | 0 | 0 | 111.6 | | |
| 49 | T | 30.1 | Very low | 33.9 | Very low | 113 Ų | 113 | 168.5 Ų | 168.5 | 69% | 0.693 | 82% | 0.815 | S | S | * | * | | | cis | 72.9 | 76.6 | 18.9 | 72.9 | 0 | 0 | 0 | 0 | 118 | | |
| 50 | V | 28.7 | Very low | 33.8 | Very low | 141 Ų | 141 | 168.3 Ų | 168.3 | 86% | 0.855 | 82% | 0.817 | S | S | * | * | | | trans | -122.6 | 134.4 | 150.4 | 177.9 | 0 | 0 | 0 | 0 | 108.7 | | |
| 51 | A | 31.4 | Very low | 33.6 | Very low | 94 Ų | 94 | 169.9 Ų | 169.9 | 78% | 0.777 | 82% | 0.817 | S | S | * | * | | | trans | -142.4 | 135.9 | 170.4 | 0 | 0 | 0 | 0 | 0 | 109.3 | | |
| 52 | K | 32.1 | Very low | 33.6 | Very low | 170 Ų | 170 | 169.8 Ų | 169.8 | 74% | 0.739 | 82% | 0.817 | S | S | * | * | | | trans | -162.8 | 117.5 | 156.3 | -108.7 | 169.1 | 178.4 | -71.1 | 0 | 107.3 | | |
| 53 | E | 30.5 | Very low | 33.1 | Very low | 119 Ų | 119 | 165.7 Ų | 165.7 | 56% | 0.556 | 80% | 0.804 | S | S | * | * | | | | 71.7 | 101.1 | 102 | -67.8 | -164.4 | 117.3 | 0 | 0 | 112.1 | | |
| 54 | K | 36.4 | Very low | 33.2 | Very low | 178 Ų | 178 | 163.1 Ų | 163.1 | 77% | 0.774 | 79% | 0.793 | S | S | * | * | | | | 82.7 | 113.7 | 80.6 | -82.1 | 177.7 | -170.6 | 158.5 | 0 | 111.1 | | |
| 55 | E | 30.7 | Very low | 32.8 | Very low | 194 Ų | 194 | 160.2 Ų | 160.2 | 91% | 0.907 | 79% | 0.787 | S | S | * | * | | | | -157 | 171.7 | 112.8 | -127.9 | -173.3 | 171.1 | 0 | 0 | 111.3 | | |
| 56 | E | 36 | Very low | 32.6 | Very low | 173 Ų | 173 | 159.2 Ų | 159.2 | 81% | 0.808 | 78% | 0.783 | S | S | * | * | | | trans | -90.1 | 147.8 | -178.2 | -60.1 | 176.6 | 96.3 | 0 | 0 | 112.4 | | |
| 57 | K | 32.4 | Very low | 32.6 | Very low | 203 Ų | 203 | 155.1 Ų | 155.1 | 88% | 0.883 | 78% | 0.783 | S | S | * | * | | | | -168.3 | 151.3 | 110.7 | -99.5 | 146.6 | -170.1 | 160.7 | 0 | 111.6 | | |
| 58 | A | 34.7 | Very low | 32.7 | Very low | 95 Ų | 95 | 160.2 Ų | 160.2 | 79% | 0.785 | 80% | 0.797 | S | S | * | * | | | trans | -87.8 | 155.8 | 174.8 | 0 | 0 | 0 | 0 | 0 | 110.8 | | |
| 59 | D | 33.6 | Very low | 33.1 | Very low | 163 Ų | 163 | 163.4 Ų | 163.4 | 87% | 0.872 | 80% | 0.802 | S | S | * | * | | | | -155 | 161.5 | 126.5 | -135.9 | -31 | 0 | 0 | 0 | 113 | | |
| 60 | Q | 36.4 | Very low | 33.4 | Very low | 182 Ų | 182 | 168 Ų | 168 | 85% | 0.85 | 81% | 0.812 | S | S | * | * | | | trans | -92.8 | 151.6 | -180 | -57.6 | -178.5 | 33 | 0 | 0 | 111.7 | | |
| 61 | K | 31.9 | Very low | 33.9 | Very low | 211 Ų | 211 | 169 Ų | 169 | 92% | 0.917 | 81% | 0.805 | S | S | * | * | | | trans | -147.3 | 106 | 167.3 | -138.2 | 163.7 | -169.8 | 166.5 | 0 | 115 | | |
| 62 | K | 33 | Very low | 34.1 | Very low | 196 Ų | 196 | 173.6 Ų | 173.6 | 85% | 0.852 | 80% | 0.802 | S | S | * | * | | | trans | -101.4 | 134.8 | 151.1 | -71.7 | 176.9 | 176.9 | 172.4 | 0 | 107.6 | | |
| 63 | D | 33.1 | Very low | 34 | Very low | 116 Ų | 116 | 171 Ų | 171 | 62% | 0.62 | 80% | 0.797 | S | S | * | * | | | | 169.2 | 135.8 | 106.6 | -114.3 | -3.3 | 0 | 0 | 0 | 115.1 | | |
| 64 | K | 34.3 | Very low | 34 | Very low | 160 Ų | 160 | 171.8 Ų | 171.8 | 70% | 0.696 | 80% | 0.804 | S | S | * | * | | | trans | 41.1 | 159 | 136.4 | -63.2 | 177.3 | -168.6 | 81.9 | 0 | 124 | | |
| 65 | K | 32.4 | Very low | 33.9 | Very low | 188 Ų | 188 | 169.1 Ų | 169.1 | 82% | 0.817 | 80% | 0.803 | S | S | * | * | | | trans | 80.5 | 152.7 | 148 | -101.6 | 175 | 178.9 | 171 | 0 | 115.7 | | |
| 66 | K | 32.5 | Very low | 34 | Very low | 193 Ų | 193 | 164.3 Ų | 164.3 | 84% | 0.839 | 79% | 0.79 | S | S | * | * | | | cis | -137.2 | 169.6 | 6.8 | -61.4 | -179.8 | -179.7 | 167.2 | 0 | 111.9 | | |
| 67 | A | 35.1 | Very low | 33.8 | Very low | 96 Ų | 96 | 161 Ų | 161 | 79% | 0.793 | 79% | 0.787 | S | S | * | * | | | trans | -95.4 | 165.7 | 166.9 | 0 | 0 | 0 | 0 | 0 | 113.5 | | |
| 68 | K | 34.9 | Very low | 33.7 | Very low | 208 Ų | 208 | 156.9 Ų | 156.9 | 90% | 0.904 | 78% | 0.778 | S | S | * | * | | | trans | -120.1 | 127.1 | 156 | -66.7 | 179 | 178.4 | 177.7 | 0 | 106.3 | | |
| 69 | R | 34.5 | Very low | 33.8 | Very low | 239 Ų | 239 | 159 Ų | 159 | 90% | 0.902 | 78% | 0.775 | S | S | * | * | | | | 61.1 | 109 | 53.9 | -97.2 | -171.5 | 170.8 | -175.4 | -2.1 | 114.7 | | |
| 70 | K | 37.4 | Very low | 33.8 | Very low | 209 Ų | 209 | 159 Ų | 159 | 91% | 0.909 | 77% | 0.77 | S | S | * | * | | | trans | -127.4 | 150 | 145.9 | -156.5 | 178.9 | -177.9 | -174.7 | 0 | 107.4 | | |
| 71 | K | 39.6 | Very low | 33.7 | Very low | 162 Ų | 162 | 155.6 Ų | 155.6 | 70% | 0.704 | 76% | 0.762 | S | S | * | * | | | trans | -96.3 | -175.2 | 172.4 | -60.3 | 178.7 | 158 | -169.4 | 0 | 108.8 | | |
| 72 | R | 35.5 | Very low | 33.7 | Very low | 191 Ų | 191 | 153 Ų | 153 | 72% | 0.721 | 76% | 0.758 | S | S | * | * | | | cis | -170.5 | -179.5 | 18.9 | -151.3 | -176.6 | 174.7 | 166 | 0.7 | 110.8 | | |
| 73 | D | 29.9 | Very low | 33.8 | Very low | 116 Ų | 116 | 150.9 Ų | 150.9 | 62% | 0.62 | 76% | 0.756 | S | S | * | * | | | trans | 72.8 | 143.5 | 157.9 | -46.3 | -34.9 | 0 | 0 | 0 | 116.7 | | |
| 74 | D | 29.9 | Very low | 33.8 | Very low | 134 Ų | 134 | 148.3 Ų | 148.3 | 72% | 0.717 | 76% | 0.757 | S | S | * | * | | | cis | -160.2 | 172.9 | -12.7 | -120.7 | -27 | 0 | 0 | 0 | 113.2 | | |
| 75 | V | 34.1 | Very low | 34 | Very low | 122 Ų | 122 | 147.2 Ų | 147.2 | 74% | 0.739 | 76% | 0.759 | S | S | * | * | | | trans | 30.7 | 136.2 | 144.6 | 173.4 | 0 | 0 | 0 | 0 | 120.6 | | |
| 76 | S | 33.6 | Very low | 34.6 | Very low | 93 Ų | 93 | 146.9 Ų | 146.9 | 65% | 0.65 | 76% | 0.757 | S | S | * | * | | | cis | -172.8 | 171.7 | -9.4 | 58.7 | 0 | 0 | 0 | 0 | 112 | | |
| 77 | S | 31.7 | Very low | 34.9 | Very low | 104 Ų | 104 | 148.9 Ų | 148.9 | 73% | 0.727 | 76% | 0.759 | S | S | * | * | | | trans | 57.6 | 147.9 | 146.8 | 58.2 | 0 | 0 | 0 | 0 | 120.7 | | |
| 78 | T | 30.6 | Very low | 35.1 | Very low | 116 Ų | 116 | 154.1 Ų | 154.1 | 71% | 0.712 | 76% | 0.764 | S | S | * | * | | | cis | -147.7 | 133.1 | 13.2 | -38.8 | 0 | 0 | 0 | 0 | 108.4 | | |
| 79 | I | 35.2 | Very low | 35.4 | Very low | 140 Ų | 140 | 154.1 Ų | 154.1 | 72% | 0.718 | 76% | 0.764 | S | S | * | * | | | | 34 | 137.2 | 96.9 | 0.6 | 176.3 | 0 | 0 | 0 | 114.9 | | |
| 80 | E | 34.8 | Very low | 35.8 | Very low | 163 Ų | 163 | 152 Ų | 152 | 76% | 0.762 | 76% | 0.761 | S | S | * | * | | | cis | -151.7 | 131.6 | 36 | -104.3 | 170.6 | -165.9 | 0 | 0 | 112.8 | | |
| 81 | T | 33.1 | Very low | 36.2 | Very low | 111 Ų | 111 | 148 Ų | 148 | 68% | 0.681 | 76% | 0.757 | S | S | * | * | | | | 77.5 | 143.2 | 94.1 | 60.7 | 0 | 0 | 0 | 0 | 118.5 | | |
| 82 | D | 32.9 | Very low | 36 | Very low | 156 Ų | 156 | 145.2 Ų | 145.2 | 83% | 0.834 | 76% | 0.764 | S | S | * | * | | | cis | -139 | -101.8 | -29.6 | -152.8 | -111.3 | 0 | 0 | 0 | 111 | | |
| 83 | D | 35.5 | Very low | 35.7 | Very low | 151 Ų | 151 | 139.6 Ų | 139.6 | 81% | 0.807 | 77% | 0.766 | S | S | * | * | | | cis | -159.2 | 162.7 | -14.6 | -178.9 | 34.5 | 0 | 0 | 0 | 110 | | |
| 84 | G | 32.2 | Very low | 35.8 | Very low | 62 Ų | 62 | 142.2 Ų | 142.2 | 64% | 0.639 | 78% | 0.78 | S | S | * | * | | | trans | 78 | 139.3 | 163.9 | 0 | 0 | 0 | 0 | 0 | 118 | | |
| 85 | D | 39.7 | Very low | 35.8 | Very low | 137 Ų | 137 | 139 Ų | 139 | 73% | 0.733 | 78% | 0.778 | S | S | * | * | | | cis | -149.7 | 165.7 | -18.6 | -177.4 | 27.3 | 0 | 0 | 0 | 108.8 | | |
| 86 | K | 44.5 | Very low | 35.7 | Very low | 182 Ų | 182 | 139.9 Ų | 139.9 | 79% | 0.791 | 78% | 0.783 | S | S | * | * | | | trans | -106.5 | 140 | -176.2 | -62 | 159.4 | -175.1 | 153.4 | 0 | 111.8 | | |
| 87 | R | 37.4 | Very low | 35.8 | Very low | 234 Ų | 234 | 142.7 Ų | 142.7 | 88% | 0.883 | 79% | 0.789 | S | S | * | * | | | trans | -159.8 | 149.6 | 147.4 | -106.3 | 144 | -123.8 | -120.3 | 6.9 | 113.2 | | |
| 88 | K | 40.8 | Very low | 36 | Very low | 206 Ų | 206 | 146.1 Ų | 146.1 | 90% | 0.896 | 79% | 0.794 | S | S | * | * | | | trans | -101 | 146.1 | 179.7 | -57 | 173.3 | -177.8 | 174.7 | 0 | 110.3 | | |
| 89 | K | 41.3 | Very low | 36 | Very low | 208 Ų | 208 | 146.5 Ų | 146.5 | 90% | 0.904 | 80% | 0.796 | S | S | * | * | | | trans | -138.4 | 144 | 151.1 | -82.8 | -168 | 175.7 | -178.6 | 0 | 110.2 | | |
| 90 | K | 42.8 | Very low | 36 | Very low | 194 Ų | 194 | 149 Ų | 149 | 84% | 0.843 | 81% | 0.805 | S | S | * | * | | | trans | -85.9 | 159.4 | 165.3 | -58.9 | -179.5 | 178.5 | -178.5 | 0 | 109.2 | | |
| 91 | P | 45.7 | Very low | 36.1 | Very low | 127 Ų | 127 | 147.7 Ų | 147.7 | 83% | 0.825 | 80% | 0.803 | S | S | * | * | | | trans | -94.8 | 148.6 | 136.5 | 34.4 | -28.4 | 0 | 0 | 0 | 110.7 | | |
| 92 | A | 34.4 | Very low | 36 | Very low | 103 Ų | 103 | 152.5 Ų | 152.5 | 85% | 0.851 | 82% | 0.815 | S | S | * | * | | | trans | -135.3 | 147.3 | 158.9 | 0 | 0 | 0 | 0 | 0 | 106.5 | | |
| 93 | G | 29.4 | Very low | 35.9 | Very low | 73 Ų | 73 | 149.7 Ų | 149.7 | 75% | 0.753 | 80% | 0.804 | S | S | * | * | | | trans | 167.5 | 110.5 | -175.8 | 0 | 0 | 0 | 0 | 0 | 111 | | |
| 94 | D | 32 | Very low | 35.9 | Very low | 171 Ų | 171 | 149.8 Ų | 149.8 | 91% | 0.914 | 80% | 0.804 | S | S | * | * | | | trans | -69.4 | 162 | 175.2 | -51.4 | -87.2 | 0 | 0 | 0 | 111.1 | | |
| 95 | G | 29.8 | Very low | 35.9 | Very low | 65 Ų | 65 | 156.4 Ų | 156.4 | 67% | 0.67 | 82% | 0.815 | S | S | * | * | | | cis | 178.6 | -132.6 | 4.3 | 0 | 0 | 0 | 0 | 0 | 110.5 | | |
| 96 | V | 31.5 | Very low | 35.4 | Very low | 141 Ų | 141 | 155 Ų | 155 | 86% | 0.855 | 82% | 0.822 | S | S | * | * | | | trans | 79 | 84.9 | 174.2 | -170.4 | 0 | 0 | 0 | 0 | 116.1 | | |
| 97 | I | 35.8 | Very low | 34.6 | Very low | 152 Ų | 152 | 150 Ų | 150 | 78% | 0.779 | 82% | 0.822 | S | S | * | * | | | trans | -10.5 | 141.1 | 133.7 | 8.4 | 178 | 0 | 0 | 0 | 114.1 | | |
| 98 | Q | 36.3 | Very low | 34.2 | Very low | 176 Ų | 176 | 148.3 Ų | 148.3 | 82% | 0.822 | 82% | 0.821 | S | S | * | * | | | cis | -147.2 | 156.6 | 49 | -68.5 | 176.4 | -10.1 | 0 | 0 | 115 | | |
| 99 | T | 31.6 | Very low | 33.8 | Very low | 124 Ų | 124 | 146.4 Ų | 146.4 | 76% | 0.761 | 82% | 0.82 | S | S | * | * | | | trans | -130.3 | 132.1 | 162.5 | 53.1 | 0 | 0 | 0 | 0 | 109 | | |
| 100 | E | 34.8 | Very low | 33.4 | Very low | 194 Ų | 194 | 143 Ų | 143 | 91% | 0.907 | 81% | 0.807 | S | S | * | * | | | trans | -126.1 | 127.4 | 159.7 | -69.9 | -158.6 | 153.5 | 0 | 0 | 110.5 | | |
| 101 | N | 36.7 | Very low | 33.2 | Very low | 134 Ų | 134 | 143.1 Ų | 143.1 | 72% | 0.717 | 81% | 0.808 | S | S | * | * | | | trans | -112.4 | 147.1 | 162.9 | -58.5 | -92.5 | 0 | 0 | 0 | 106.2 | | |
| 102 | F | 30.6 | Very low | 32.6 | Very low | 212 Ų | 212 | 145.2 Ų | 145.2 | 93% | 0.93 | 80% | 0.804 | S | S | * | * | | | trans | -148.8 | 163.9 | 145.6 | -120.2 | -80.1 | 0 | 0 | 0 | 112.4 | | |
| 103 | T | 30.8 | Very low | 32.6 | Very low | 98 Ų | 98 | 149.8 Ų | 149.8 | 60% | 0.601 | 81% | 0.805 | S | S | * | * | | | trans | -151 | 155.1 | -145.3 | -31.7 | 0 | 0 | 0 | 0 | 112.2 | | |
| 104 | L | 35.3 | Very low | 32.9 | Very low | 153 Ų | 153 | 157.1 Ų | 157.1 | 80% | 0.801 | 81% | 0.81 | S | S | * | * | | | trans | 73.3 | 167.9 | 169.3 | -41.6 | 172.2 | 0 | 0 | 0 | 114.3 | | |
| 105 | K | 32 | Very low | 32.9 | Very low | 200 Ų | 200 | 157.7 Ų | 157.7 | 87% | 0.87 | 80% | 0.804 | S | S | * | * | | | cis | -131.2 | 173.6 | 7.4 | -80.4 | -177.3 | 177.9 | 173.9 | 0 | 112.4 | | |
| 106 | A | 30.6 | Very low | 33.2 | Very low | 108 Ų | 108 | 162.6 Ų | 162.6 | 89% | 0.893 | 81% | 0.809 | S | S | * | * | | | trans | -92 | 160.6 | -177.1 | 0 | 0 | 0 | 0 | 0 | 115 | | |
| 107 | G | 26 | Very low | 33.3 | Very low | 77 Ų | 77 | 165 Ų | 165 | 79% | 0.794 | 81% | 0.811 | S | S | * | * | | | trans | -133.4 | 163.6 | 167.1 | 0 | 0 | 0 | 0 | 0 | 111.5 | | |
| 108 | K | 30.8 | Very low | 33.3 | Very low | 198 Ų | 198 | 166.5 Ų | 166.5 | 86% | 0.861 | 81% | 0.812 | S | S | * | * | | | trans | -117.3 | 169.2 | -172.6 | -61.3 | 179.6 | 179 | 174.4 | 0 | 112.9 | | |
| 109 | L | 30.5 | Very low | 33.3 | Very low | 167 Ų | 167 | 166.1 Ų | 166.1 | 87% | 0.874 | 82% | 0.815 | S | S | * | * | | | trans | 74.5 | 156.7 | 165.1 | -57.8 | 160.3 | 0 | 0 | 0 | 114.6 | | |
| 110 | E | 33.4 | Very low | 33.6 | Very low | 136 Ų | 136 | 168.9 Ų | 168.9 | 64% | 0.636 | 82% | 0.816 | S | S | * | * | | | cis | -138.3 | 170.2 | 1 | -147.6 | -157.2 | 161.3 | 0 | 0 | 111.4 | K112 | E110-K112 IonicContact OE1-NZ 2.76Å; E110-K112 PolarHBondContact OE1-NZ 2.81Å; E110-K112 IonicContact OE2-NZ 3.15Å; E110-K112 PolarHBondContact OE2-NZ 3.27Å |
| 111 | K | 38.8 | Very low | 33.7 | Very low | 196 Ų | 196 | 169 Ų | 169 | 85% | 0.852 | 82% | 0.817 | S | S | * | * | | | trans | -103 | 130.9 | 168.1 | -70.2 | 177.1 | -179.7 | 172.3 | 0 | 110.5 | | |
| 112 | K | 33.6 | Very low | 33.6 | Very low | 171 Ų | 171 | 171.5 Ų | 171.5 | 74% | 0.743 | 82% | 0.822 | S | S | * | * | | | trans | -146.8 | 159.8 | 155.9 | -101.3 | 120.5 | -178.1 | 171.2 | 0 | 111.8 | E110 | E110-K112 IonicContact OE1-NZ 2.76Å; E110-K112 PolarHBondContact OE1-NZ 2.81Å; E110-K112 IonicContact OE2-NZ 3.15Å; E110-K112 PolarHBondContact OE2-NZ 3.27Å |
| 113 | K | 33.9 | Very low | 33.8 | Very low | 199 Ų | 199 | 167.7 Ų | 167.7 | 87% | 0.865 | 82% | 0.82 | S | S | * | * | | | trans | -127.9 | 147.4 | -179.1 | -57.3 | 176.2 | -180 | -179.5 | 0 | 109.1 | | |
| 114 | R | 36.1 | Very low | 34 | Very low | 228 Ų | 228 | 168.5 Ų | 168.5 | 86% | 0.86 | 82% | 0.824 | S | S | * | * | | | | 143.3 | 145.7 | 128.6 | -85.2 | 175.5 | 163.3 | 170.4 | -4.4 | 113.8 | | |
| 115 | K | 31.9 | Very low | 34.2 | Very low | 182 Ų | 182 | 170.3 Ų | 170.3 | 79% | 0.791 | 83% | 0.828 | S | S | * | * | | | trans | 63.8 | 131.4 | 161.9 | -66.9 | 179.1 | 173.9 | -163.5 | 0 | 115.3 | | |
| 116 | E | 36.3 | Very low | 34.3 | Very low | 168 Ų | 168 | 168 Ų | 168 | 79% | 0.785 | 82% | 0.824 | S | S | * | * | | | cis | 74.9 | 91.7 | 44.6 | -169.1 | -173.9 | -158.6 | 0 | 0 | 112.9 | | |
| 117 | E | 33.9 | Very low | 34.8 | Very low | 192 Ų | 192 | 171.8 Ų | 171.8 | 90% | 0.897 | 82% | 0.821 | S | S | * | * | | | trans | -147 | 162 | 134.1 | -167.8 | 153.8 | -169.8 | 0 | 0 | 109 | | |
| 118 | K | 36.2 | Very low | 35.8 | Very low | 183 Ų | 183 | 174 Ų | 174 | 80% | 0.796 | 82% | 0.821 | S | S | * | * | | | trans | -101.6 | 145.6 | 177.5 | -58.1 | 164.1 | -175 | 164.9 | 0 | 108.9 | | |
| 119 | L | 35.5 | Very low | 35.7 | Very low | 168 Ų | 168 | 171.7 Ų | 171.7 | 88% | 0.88 | 81% | 0.813 | S | S | * | * | | | trans | -154.2 | 171.3 | 136.4 | -111.7 | 171.6 | 0 | 0 | 0 | 110.9 | | |
| 120 | K | 38.2 | Very low | 35.9 | Very low | 182 Ų | 182 | 169.2 Ų | 169.2 | 79% | 0.791 | 80% | 0.801 | S | S | * | * | | | trans | -93.2 | 151.5 | -172.6 | -53 | 156.6 | -174.4 | 167.6 | 0 | 109 | | |
| 121 | E | 35.9 | Very low | 35.9 | Very low | 196 Ų | 196 | 171.8 Ų | 171.8 | 92% | 0.916 | 82% | 0.815 | S | S | * | * | | | | -166.3 | -179.3 | 115.8 | -109.7 | 168.7 | -151.5 | 0 | 0 | 114 | | |
| 122 | K | 36 | Very low | 35.9 | Very low | 188 Ų | 188 | 171.3 Ų | 171.3 | 82% | 0.817 | 81% | 0.813 | S | S | * | * | P | Polyproline II helix | trans | -91.8 | 142 | -160.7 | -60.1 | 167.7 | -175.7 | 168.7 | 0 | 111.4 | V124 | K122-V124 PolarHBondContact O-N 3.26Š|
| 123 | C | 33 | Very low | 35.9 | Very low | 132 Ų | 132 | 169.2 Ų | 169.2 | 89% | 0.892 | 81% | 0.814 | S | S | * | * | P | Polyproline II helix | trans | -66.2 | 118.7 | 170.1 | -177.4 | 0 | 0 | 0 | 0 | 110.1 | | |
| 124 | V | 35.1 | Very low | 36 | Very low | 115 Ų | 115 | 166.7 Ų | 166.7 | 70% | 0.697 | 81% | 0.806 | S | S | * | * | P | Polyproline II helix | trans | -90.5 | 140.1 | 173.4 | 173.8 | 0 | 0 | 0 | 0 | 109.2 | K122 | K122-V124 PolarHBondContact O-N 3.26Š|
| 125 | Q | 40.6 | Very low | 36.1 | Very low | 190 Ų | 190 | 163.2 Ų | 163.2 | 89% | 0.888 | 80% | 0.797 | S | S | * | * | P | Polyproline II helix | trans | -69.7 | 132.2 | 175.4 | -61.3 | 173.1 | 3.1 | 0 | 0 | 110.3 | | |
| 126 | I | 34.4 | Very low | 36.1 | Very low | 152 Ų | 152 | 162.3 Ų | 162.3 | 78% | 0.779 | 80% | 0.801 | S | S | * | * | | | trans | -126.8 | 114.1 | 172.4 | -60.9 | -179.9 | 0 | 0 | 0 | 109 | | |
| 127 | K | 40.4 | Very low | 36.5 | Very low | 188 Ų | 188 | 163.4 Ų | 163.4 | 82% | 0.817 | 81% | 0.806 | S | S | * | * | | | trans | -83.9 | 154.5 | 156.2 | -66.6 | -178.3 | 179.5 | -179 | 0 | 108.9 | | |
| 128 | P | 46.6 | Very low | 36.8 | Very low | 123 Ų | 123 | 163.1 Ų | 163.1 | 80% | 0.799 | 80% | 0.804 | S | S | * | * | | | trans | -122.5 | 111.4 | 145 | 32.9 | -22.2 | 0 | 0 | 0 | 112.4 | | |
| 129 | E | 30.3 | Very low | 36.7 | Very low | 149 Ų | 149 | 162 Ų | 162 | 70% | 0.696 | 80% | 0.804 | S | S | * | * | | | trans | -61.9 | 159 | 131.7 | -84 | 176.8 | 84.3 | 0 | 0 | 108.7 | | |
| 130 | N | 32.9 | Very low | 36.9 | Very low | 116 Ų | 116 | 159.5 Ų | 159.5 | 62% | 0.62 | 80% | 0.798 | S | S | * | * | | | cis | -159.5 | 150.8 | 2.5 | -109.8 | -31.9 | 0 | 0 | 0 | 108.1 | | |
| 131 | M | 33.9 | Very low | 36.6 | Very low | 189 Ų | 189 | 157.7 Ų | 157.7 | 93% | 0.931 | 80% | 0.795 | S | S | * | * | | | trans | -150.1 | 149.8 | 143.5 | -79.9 | -143.6 | 80.9 | 0 | 0 | 109.5 | | |
| 132 | K | 39.7 | Very low | 36.3 | Very low | 186 Ų | 186 | 158.9 Ų | 158.9 | 81% | 0.809 | 79% | 0.791 | S | S | * | * | | | trans | -114.3 | 153.3 | -169.8 | -59.9 | 178.6 | 179.6 | -179.5 | 0 | 112.4 | | |
| 133 | V | 33.3 | Very low | 36.3 | Very low | 128 Ų | 128 | 155.3 Ų | 155.3 | 78% | 0.776 | 79% | 0.79 | S | S | * | * | | | trans | -178.5 | 112.7 | 136.1 | 144.6 | 0 | 0 | 0 | 0 | 104 | | |
| 134 | E | 35.3 | Very low | 36.4 | Very low | 146 Ų | 146 | 156.1 Ų | 156.1 | 68% | 0.682 | 79% | 0.785 | S | S | * | * | | | | 56.7 | 134.1 | 102.8 | -108.4 | -162.7 | 132.7 | 0 | 0 | 114 | | |
| 135 | K | 37.6 | Very low | 36.4 | Very low | 155 Ų | 155 | 157.8 Ų | 157.8 | 67% | 0.674 | 79% | 0.791 | S | S | * | * | | | cis | -161.6 | 150 | 12.5 | -165.6 | -167.1 | -158.5 | 87.7 | 0 | 108.9 | | |
| 136 | D | 33.4 | Very low | 36.2 | Very low | 163 Ų | 163 | 159.5 Ų | 159.5 | 87% | 0.872 | 79% | 0.789 | S | S | * | * | | | trans | 173.6 | 151.6 | 144.8 | -93.3 | -13.3 | 0 | 0 | 0 | 111 | | |
| 137 | E | 43.7 | Very low | 36.2 | Very low | 191 Ų | 191 | 161.7 Ų | 161.7 | 89% | 0.893 | 79% | 0.793 | S | S | * | * | | | trans | -115.2 | 151.8 | -171.2 | -63.2 | -177 | 139.5 | 0 | 0 | 113.3 | | |
| 138 | E | 40.8 | Very low | 36.4 | Very low | 185 Ų | 185 | 162.3 Ų | 162.3 | 86% | 0.864 | 80% | 0.795 | S | S | * | * | | | trans | -79.4 | 148.3 | 177 | -65.8 | -171 | 114.6 | 0 | 0 | 113.4 | | |
| 139 | M | 33.2 | Very low | 36.3 | Very low | 160 Ų | 160 | 162.6 Ų | 162.6 | 79% | 0.788 | 80% | 0.797 | S | S | * | * | | | trans | -144.4 | 112.2 | 159.3 | -91.7 | -63.5 | -74.6 | 0 | 0 | 112.1 | I141 | M139-I141 HydrophobicContact CE-CD1 4.42Š|
| 140 | P | 40 | Very low | 36.7 | Very low | 116 Ų | 116 | 165.4 Ų | 165.4 | 75% | 0.753 | 81% | 0.807 | S | S | * | * | | | trans | -97.9 | 131.4 | 175.9 | 34.6 | -30.7 | 0 | 0 | 0 | 112.8 | | |
| 141 | I | 31.7 | Very low | 37.1 | Very low | 144 Ų | 144 | 170.1 Ų | 170.1 | 74% | 0.738 | 82% | 0.822 | S | S | * | * | | | trans | -127.2 | 91.1 | 178.8 | -54 | -174.9 | 0 | 0 | 0 | 113.4 | M139 | M139-I141 HydrophobicContact CE-CD1 4.42Š|
| 142 | R | 29.6 | Very low | 37 | Very low | 220 Ų | 220 | 164.3 Ų | 164.3 | 83% | 0.83 | 81% | 0.81 | S | S | * | * | | | | 39 | 117.4 | 123.1 | -158.3 | 176.1 | -165.7 | 169 | 5.8 | 119.3 | | |
| 143 | S | 37.4 | Very low | 36.9 | Very low | 113 Ų | 113 | 165.9 Ų | 165.9 | 79% | 0.79 | 82% | 0.817 | S | S | * | * | | | trans | -66 | 147.1 | 165.1 | 53.6 | 0 | 0 | 0 | 0 | 113.3 | | |
| 144 | N | 34 | Very low | 36.9 | Very low | 149 Ų | 149 | 163.4 Ų | 163.4 | 80% | 0.797 | 82% | 0.818 | S | S | * | * | | | trans | -156.5 | 146.1 | 166.3 | -110.7 | -33.7 | 0 | 0 | 0 | 112.5 | | |
| 145 | N | 36.1 | Very low | 36.8 | Very low | 151 Ų | 151 | 166.3 Ų | 166.3 | 81% | 0.807 | 83% | 0.828 | S | S | * | * | | | trans | -106.9 | 142.2 | 178.6 | -76.2 | -70.3 | 0 | 0 | 0 | 111.1 | | |
| 146 | R | 35.8 | Very low | 36.5 | Very low | 226 Ų | 226 | 165.9 Ų | 165.9 | 85% | 0.853 | 83% | 0.833 | S | S | * | * | | | | 159.4 | 151.6 | 122.1 | -89.8 | 168.6 | 170.8 | -172.6 | -3.4 | 116.2 | | |
| 147 | K | 35.2 | Very low | 36.5 | Very low | 198 Ų | 198 | 166.5 Ų | 166.5 | 86% | 0.861 | 84% | 0.836 | S | S | * | * | | | trans | 77.7 | 147.8 | 152.7 | -74.5 | 167.7 | 179.7 | -177.3 | 0 | 120.1 | | |
| 148 | K | 43.1 | Very low | 36 | Very low | 200 Ų | 200 | 162 Ų | 162 | 87% | 0.87 | 83% | 0.831 | S | S | * | * | | | trans | -114.9 | 163 | 176.1 | -49 | 174.6 | -178.8 | 179.1 | 0 | 109.7 | | |
| 149 | P | 45.3 | Very low | 35.7 | Very low | 129 Ų | 129 | 159 Ų | 159 | 84% | 0.838 | 83% | 0.83 | S | S | * | * | | | trans | -108.8 | -171.8 | 145 | 34.3 | -28.1 | 0 | 0 | 0 | 113.1 | | |
| 150 | K | 39.3 | Very low | 35.8 | Very low | 208 Ų | 208 | 163 Ų | 163 | 90% | 0.904 | 84% | 0.837 | S | S | * | * | | | trans | -118.5 | 169.1 | -162.4 | -69.4 | 178 | 179.2 | 173.3 | 0 | 114.8 | | |
| 151 | K | 40.6 | Very low | 35.4 | Very low | 216 Ų | 216 | 163.9 Ų | 163.9 | 94% | 0.939 | 84% | 0.84 | S | S | * | * | | | trans | -58 | 148.2 | 171 | -81.1 | -178.7 | 168.4 | -178.6 | 0 | 115.7 | | |
| 152 | G | 32.3 | Very low | 35.5 | Very low | 66 Ų | 66 | 161.5 Ų | 161.5 | 68% | 0.68 | 84% | 0.841 | S | S | * | * | | | trans | -143.4 | 136.1 | 137.1 | 0 | 0 | 0 | 0 | 0 | 107.3 | | |
| 153 | K | 37 | Very low | 35.8 | Very low | 220 Ų | 220 | 160.1 Ų | 160.1 | 96% | 0.957 | 84% | 0.844 | S | S | * | * | | | | 46.6 | 110.3 | 71.3 | -69.6 | -167.6 | 175.8 | -172.4 | 0 | 112 | | |
| 154 | G | 32.8 | Very low | 35.4 | Very low | 76 Ų | 76 | 160.6 Ų | 160.6 | 78% | 0.784 | 84% | 0.843 | S | S | * | * | | | cis | 117.8 | 129.8 | -5.4 | 0 | 0 | 0 | 0 | 0 | 113.9 | | |
| 155 | K | 33.7 | Very low | 35.6 | Very low | 206 Ų | 206 | 163.3 Ų | 163.3 | 90% | 0.896 | 85% | 0.848 | S | S | * | * | | | trans | -170.9 | 163.7 | 165.4 | -116.5 | 179.8 | -179.6 | -172.9 | 0 | 112.1 | | |
| 156 | D | 30.9 | Very low | 35.6 | Very low | 147 Ų | 147 | 164.8 Ų | 164.8 | 79% | 0.786 | 85% | 0.85 | S | S | * | * | | | trans | -82.2 | 156.9 | -178.7 | -37.7 | -98.2 | 0 | 0 | 0 | 113 | | |
| 157 | L | 34 | Very low | 35.7 | Very low | 176 Ų | 176 | 161.9 Ų | 161.9 | 92% | 0.921 | 85% | 0.85 | S | S | * | * | | | | -169.2 | 156.9 | 121.2 | -105.4 | 165.4 | 0 | 0 | 0 | 111.1 | | |
| 158 | A | 33.4 | Very low | 35.4 | Very low | 96 Ų | 96 | 158.2 Ų | 158.2 | 79% | 0.793 | 84% | 0.844 | S | S | * | * | | | trans | -113.3 | 146.5 | 179.7 | 0 | 0 | 0 | 0 | 0 | 111.1 | | |
| 159 | S | 34.3 | Very low | 34.9 | Very low | 121 Ų | 121 | 155 Ų | 155 | 85% | 0.846 | 84% | 0.841 | S | S | * | * | | | trans | -144 | 126.4 | 162.8 | 46.1 | 0 | 0 | 0 | 0 | 110.2 | | |
| 160 | R | 35.3 | Very low | 34.4 | Very low | 246 Ų | 246 | 153.6 Ų | 153.6 | 93% | 0.928 | 82% | 0.823 | S | S | * | * | | | trans | -104.9 | 118.8 | 167.3 | -92.3 | -179.6 | 164.8 | -174.7 | -3.7 | 108.1 | | |
| 161 | T | 32.3 | Very low | 34 | Very low | 134 Ų | 134 | 151.7 Ų | 151.7 | 82% | 0.822 | 82% | 0.815 | S | S | * | * | | | trans | -140.9 | 118.2 | 146.2 | 35.4 | 0 | 0 | 0 | 0 | 104.9 | | |
| 162 | A | 33.3 | Very low | 33.7 | Very low | 93 Ų | 93 | 149.2 Ų | 149.2 | 77% | 0.769 | 80% | 0.804 | S | S | * | * | | | cis | 66.6 | 85.4 | 40.5 | 0 | 0 | 0 | 0 | 0 | 111.9 | | |
| 163 | E | 35.1 | Very low | 33.9 | Very low | 191 Ų | 191 | 155.2 Ų | 155.2 | 89% | 0.893 | 81% | 0.811 | S | S | * | * | | | trans | -145.4 | 143.9 | 155 | -138.6 | 174.6 | -109.1 | 0 | 0 | 109.2 | | |
| 164 | T | 30.3 | Very low | 33.8 | Very low | 123 Ų | 123 | 154.7 Ų | 154.7 | 76% | 0.755 | 81% | 0.809 | S | S | * | * | | | trans | -118.1 | 141.6 | -163.9 | 44.4 | 0 | 0 | 0 | 0 | 111.8 | | |
| 165 | K | 38.4 | Very low | 34 | Very low | 207 Ų | 207 | 157 Ų | 157 | 90% | 0.9 | 81% | 0.808 | S | S | * | * | | | trans | -139.3 | 120.6 | 155.9 | -67.5 | -166.7 | 177.2 | 179.1 | 0 | 110.2 | | |
| 166 | E | 35.5 | Very low | 34.4 | Very low | 182 Ų | 182 | 152.9 Ų | 152.9 | 85% | 0.85 | 80% | 0.802 | S | S | * | * | | | trans | -91.3 | 157.5 | 177.9 | -56.2 | -179.4 | 114.6 | 0 | 0 | 111.7 | | |
| 167 | L | 38.2 | Very low | 34.4 | Very low | 165 Ų | 165 | 151.6 Ų | 151.6 | 86% | 0.864 | 80% | 0.8 | S | S | * | * | | | trans | -150.4 | 105.6 | 149.8 | -87.9 | -176.4 | 0 | 0 | 0 | 111.5 | | |
| 168 | V | 28.8 | Very low | 34.4 | Very low | 121 Ų | 121 | 150.9 Ų | 150.9 | 73% | 0.733 | 80% | 0.795 | S | S | * | * | | | trans | 24 | 115.2 | 131.8 | -172.1 | 0 | 0 | 0 | 0 | 117.1 | | |
| 169 | V | 32.5 | Very low | 34.6 | Very low | 131 Ų | 131 | 151.1 Ų | 151.1 | 79% | 0.794 | 79% | 0.787 | S | S | * | * | | | cis | 80.2 | 128.1 | 47.3 | 179.1 | 0 | 0 | 0 | 0 | 113.2 | | |
| 170 | E | 33.7 | Very low | 34.5 | Very low | 101 Ų | 101 | 153.1 Ų | 153.1 | 47% | 0.472 | 79% | 0.788 | S | S | . | * | | | cis | -133.1 | -96.4 | 16.4 | -169.6 | -159.7 | 164 | 0 | 0 | 114.6 | K172 | E170-K172 WeakPolarHBondContact OE1-CD 3.46Å; E170-K172 WeakPolarHBondContact OE1-CE 3.35Å; E170-K172 WeakPolarHBondContact OE1-CG 3.36Å; E170-K172 IonicContact OE1-NZ 2.59Å; E170-K172 PolarHBondContact OE1-NZ 3.2Å |
| 171 | K | 31.4 | Very low | 34.2 | Very low | 167 Ų | 167 | 144.6 Ų | 144.6 | 73% | 0.726 | 78% | 0.777 | S | S | * | * | | | cis | -153.9 | 37.6 | -7.9 | -148.3 | 144.8 | -160.6 | 76.2 | 0 | 118.7 | | |
| 172 | K | 34.4 | Very low | 34.1 | Very low | 164 Ų | 164 | 145.8 Ų | 145.8 | 71% | 0.713 | 78% | 0.783 | S | S | * | * | | | trans | 70.4 | 140.7 | 154.9 | -75.3 | 172.5 | 175.4 | 128.9 | 0 | 123.6 | E170 | E170-K172 WeakPolarHBondContact OE1-CD 3.46Å; E170-K172 WeakPolarHBondContact OE1-CE 3.35Å; E170-K172 WeakPolarHBondContact OE1-CG 3.36Å; E170-K172 IonicContact OE1-NZ 2.59Å; E170-K172 PolarHBondContact OE1-NZ 3.2Å |
| 173 | K | 36.8 | Very low | 33.8 | Very low | 193 Ų | 193 | 145 Ų | 145 | 84% | 0.839 | 79% | 0.785 | S | S | * | * | | | trans | 65.3 | 124.1 | 144.5 | -71.2 | 179.3 | 178.7 | -174.2 | 0 | 122.3 | | |
| 174 | K | 34.5 | Very low | 33.9 | Very low | 208 Ų | 208 | 142.6 Ų | 142.6 | 90% | 0.904 | 77% | 0.773 | S | S | * | * | | | | -170.7 | 150.1 | 104.5 | -100.5 | 170.3 | -176.2 | 178 | 0 | 112.3 | | |
| 175 | T | 36.3 | Very low | 34.1 | Very low | 125 Ų | 125 | 143 Ų | 143 | 77% | 0.767 | 78% | 0.776 | S | S | * | * | | | trans | -108.4 | 172.9 | 165.9 | 51.1 | 0 | 0 | 0 | 0 | 109.5 | | |
| 176 | P | 42.2 | Very low | 34 | Very low | 119 Ų | 119 | 141 Ų | 141 | 77% | 0.773 | 77% | 0.767 | S | S | * | * | | | | -136.7 | 164.4 | 94.4 | 38.9 | -28.6 | 0 | 0 | 0 | 114.5 | | |
| 177 | V | 31.9 | Very low | 34.1 | Very low | 121 Ų | 121 | 137.4 Ų | 137.4 | 73% | 0.733 | 77% | 0.769 | S | S | * | * | | | trans | -104.1 | 137.1 | 166.8 | 171.8 | 0 | 0 | 0 | 0 | 108.1 | T179 | V177-T179 HydrophobicContact CG1-CG2 4.31Š|
| 178 | I | 34.3 | Very low | 34 | Very low | 160 Ų | 160 | 139.4 Ų | 139.4 | 82% | 0.821 | 77% | 0.771 | S | S | * | * | | | trans | -132.3 | 127.7 | 161.2 | -63 | -177.5 | 0 | 0 | 0 | 107.8 | | |
| 179 | T | 36.5 | Very low | 34.7 | Very low | 102 Ų | 102 | 143.7 Ų | 143.7 | 63% | 0.626 | 78% | 0.779 | S | S | * | * | | | trans | -93.9 | -179.4 | 176.1 | 48.4 | 0 | 0 | 0 | 0 | 111.5 | V177 | V177-T179 HydrophobicContact CG1-CG2 4.31Š|
| 180 | N | 32.7 | Very low | 34.9 | Very low | 162 Ų | 162 | 147 Ų | 147 | 87% | 0.866 | 78% | 0.783 | S | S | * | * | | | trans | 93.3 | 137.4 | -177.3 | -47.4 | -19.3 | 0 | 0 | 0 | 113.2 | | |
| 181 | G | 28.8 | Very low | 35.1 | Very low | 67 Ų | 67 | 146.2 Ų | 146.2 | 69% | 0.691 | 79% | 0.794 | S | S | * | * | | | cis | 156.9 | 118.1 | -10.5 | 0 | 0 | 0 | 0 | 0 | 113.7 | | |
| 182 | V | 30 | Very low | 35.3 | Very low | 159 Ų | 159 | 148 Ų | 148 | 96% | 0.964 | 80% | 0.801 | S | S | * | * | | | trans | 61.6 | 132.9 | 162.3 | -174.4 | 0 | 0 | 0 | 0 | 118 | | |
| 183 | G | 28.4 | Very low | 35.3 | Very low | 77 Ų | 77 | 147.5 Ų | 147.5 | 79% | 0.794 | 81% | 0.806 | S | S | * | * | | | trans | 170.1 | 94.6 | 168.6 | 0 | 0 | 0 | 0 | 0 | 114.6 | | |
| 184 | E | 36.2 | Very low | 35.2 | Very low | 141 Ų | 141 | 145.8 Ų | 145.8 | 66% | 0.659 | 81% | 0.805 | S | S | * | * | | | trans | -85.7 | 159 | 178.7 | -54.6 | -178 | 109.7 | 0 | 0 | 114.2 | K186 | E184-K186 VanDerWaalsContact OE2-CE 3.32Å; E184-K186 WeakPolarHBondContact OE2-CE 3.23Å; E184-K186 IonicContact OE2-NZ 3.8Å; E184-K186 PolarHBondContact OE2-NZ 2.97Å |
| 185 | T | 34.3 | Very low | 35.1 | Very low | 132 Ų | 132 | 144 Ų | 144 | 81% | 0.81 | 80% | 0.8 | S | S | * | * | | | | -172 | 113 | 128.3 | 17.6 | 0 | 0 | 0 | 0 | 109.2 | | |
| 186 | K | 37.2 | Very low | 35.2 | Very low | 163 Ų | 163 | 144.9 Ų | 144.9 | 71% | 0.709 | 80% | 0.8 | S | S | * | * | | | | 78.7 | 103.1 | 70.7 | -75.2 | 167.5 | 169.6 | 139.6 | 0 | 115.6 | E184 | E184-K186 VanDerWaalsContact OE2-CE 3.32Å; E184-K186 WeakPolarHBondContact OE2-CE 3.23Å; E184-K186 IonicContact OE2-NZ 3.8Å; E184-K186 PolarHBondContact OE2-NZ 2.97Å |
| 187 | A | 36.5 | Very low | 34.7 | Very low | 108 Ų | 108 | 142.9 Ų | 142.9 | 89% | 0.893 | 80% | 0.8 | S | S | * | * | | | trans | -151.3 | 139.8 | 144.8 | 0 | 0 | 0 | 0 | 0 | 110.3 | | |
| 188 | K | 37.8 | Very low | 34.8 | Very low | 207 Ų | 207 | 144.7 Ų | 144.7 | 90% | 0.9 | 81% | 0.805 | S | S | * | * | | | trans | -112.6 | 155.7 | -177.5 | -64.7 | 179.8 | 178.2 | -179.7 | 0 | 111.5 | | |
| 189 | K | 43.5 | Very low | 34.6 | Very low | 210 Ų | 210 | 145.9 Ų | 145.9 | 91% | 0.913 | 80% | 0.804 | S | S | * | * | | | trans | -156.5 | 129.8 | 135.1 | -114.1 | 170.3 | -174.4 | -178.7 | 0 | 112.8 | | |
| 190 | K | 36.7 | Very low | 34.3 | Very low | 202 Ų | 202 | 147.5 Ų | 147.5 | 88% | 0.878 | 81% | 0.813 | S | S | * | * | | | trans | -87.7 | 177.7 | 159.9 | -57.1 | -170.2 | 176.6 | -172.1 | 0 | 107.2 | | |
| 191 | A | 36 | Very low | 34.3 | Very low | 83 Ų | 83 | 148.7 Ų | 148.7 | 69% | 0.686 | 81% | 0.813 | S | S | * | * | | | cis | -159.9 | 156.7 | 17.4 | 0 | 0 | 0 | 0 | 0 | 114 | | |
| 192 | K | 36.8 | Very low | 34.6 | Very low | 204 Ų | 204 | 154.2 Ų | 154.2 | 89% | 0.887 | 82% | 0.818 | S | S | * | * | | | trans | 45.1 | 128.5 | 135.3 | -68.4 | -169.3 | 173.6 | -167.2 | 0 | 121.9 | | |
| 193 | L | 33.9 | Very low | 34.8 | Very low | 154 Ų | 154 | 155.3 Ų | 155.3 | 81% | 0.806 | 81% | 0.813 | S | S | * | * | | | trans | -66.8 | 160.4 | 146.5 | -77 | 159.3 | 0 | 0 | 0 | 111.4 | | |
| 194 | L | 35.4 | Very low | 35 | Very low | 157 Ų | 157 | 159.8 Ų | 159.8 | 82% | 0.822 | 81% | 0.813 | S | S | * | * | | | trans | -142.3 | 114.7 | 152.7 | -117.7 | 172.6 | 0 | 0 | 0 | 108.1 | | |
| 195 | E | 32.2 | Very low | 34.9 | Very low | 170 Ų | 170 | 159.7 Ų | 159.7 | 79% | 0.794 | 82% | 0.823 | S | S | * | * | | | trans | -126.6 | 109 | -179.6 | 178.7 | -177.9 | 172.4 | 0 | 0 | 107.1 | | |
| 196 | N | 37.2 | Very low | 34.9 | Very low | 145 Ų | 145 | 162 Ų | 162 | 78% | 0.775 | 82% | 0.824 | S | S | * | * | | | trans | -120.3 | 105.3 | 175.3 | -78.8 | -2.3 | 0 | 0 | 0 | 108.2 | | |
| 197 | G | 33.6 | Very low | 34.6 | Very low | 76 Ų | 76 | 160.3 Ų | 160.3 | 78% | 0.784 | 83% | 0.827 | S | S | * | * | | | trans | -86.5 | 145.4 | 172.6 | 0 | 0 | 0 | 0 | 0 | 111.9 | | |
| 198 | I | 32.4 | Very low | 34.4 | Very low | 160 Ų | 160 | 160.2 Ų | 160.2 | 82% | 0.821 | 82% | 0.82 | S | S | * | * | | | trans | -127.8 | 135.5 | 167.1 | -66 | -177.2 | 0 | 0 | 0 | 109 | | |
| 199 | K | 31.6 | Very low | 34.1 | Very low | 185 Ų | 185 | 160.4 Ų | 160.4 | 80% | 0.804 | 82% | 0.821 | S | S | * | * | | | trans | -1.3 | 119.9 | 162.8 | -65.6 | 174.8 | -177.5 | -179.9 | 0 | 115.9 | | |
| 200 | V | 30.4 | Very low | 33.6 | Very low | 135 Ų | 135 | 157.3 Ų | 157.3 | 82% | 0.818 | 82% | 0.819 | S | S | * | * | | | | 61 | 99.4 | 84.5 | 176.2 | 0 | 0 | 0 | 0 | 111.6 | | |
| 201 | E | 31 | Very low | 33.3 | Very low | 187 Ų | 187 | 156.3 Ų | 156.3 | 87% | 0.874 | 82% | 0.815 | S | S | * | * | | | | -154.6 | 157.3 | 123.7 | -122.5 | 158.3 | -152.8 | 0 | 0 | 110 | | |
| 202 | K | 34.8 | Very low | 33.2 | Very low | 183 Ų | 183 | 159.2 Ų | 159.2 | 80% | 0.796 | 82% | 0.818 | S | S | * | * | | | trans | -141.8 | 109 | 173.8 | -102.4 | -161.1 | 171.6 | -153.4 | 0 | 106.7 | | |
| 203 | E | 35.2 | Very low | 33 | Very low | 183 Ų | 183 | 157.9 Ų | 157.9 | 86% | 0.855 | 81% | 0.812 | S | S | * | * | | | trans | -123.3 | 133.9 | 157 | -67.7 | -160 | 137.1 | 0 | 0 | 108.6 | | |
| 204 | E | 33.5 | Very low | 32.8 | Very low | 170 Ų | 170 | 155.8 Ų | 155.8 | 79% | 0.794 | 81% | 0.811 | S | S | * | * | | | trans | -99.1 | 127.7 | 172 | -66.6 | 172.9 | 174.6 | 0 | 0 | 107 | | |
| 205 | T | 32.5 | Very low | 32.8 | Very low | 140 Ų | 140 | 157 Ų | 157 | 86% | 0.859 | 81% | 0.809 | S | S | * | * | | | trans | -151.9 | 137.7 | 161.4 | 8.1 | 0 | 0 | 0 | 0 | 110.4 | | |
| 206 | E | 34.8 | Very low | 32.9 | Very low | 180 Ų | 180 | 157.6 Ų | 157.6 | 84% | 0.841 | 81% | 0.809 | S | S | * | * | | | trans | -93.4 | 168.8 | 178.7 | -54.8 | -179.4 | 105.5 | 0 | 0 | 111.4 | | |
| 207 | V | 30.4 | Very low | 32.6 | Very low | 127 Ų | 127 | 157.7 Ų | 157.7 | 77% | 0.77 | 81% | 0.805 | S | S | * | * | | | trans | 63.5 | 115.5 | 163 | -164.2 | 0 | 0 | 0 | 0 | 114.6 | | |
| 208 | S | 32 | Very low | 32.6 | Very low | 107 Ų | 107 | 162.1 Ų | 162.1 | 75% | 0.748 | 80% | 0.803 | S | S | * | * | | | | -164.4 | 144.8 | 91.8 | -78 | 0 | 0 | 0 | 0 | 115.1 | | |
| 209 | K | 32.7 | Very low | 32.4 | Very low | 211 Ų | 211 | 159.6 Ų | 159.6 | 92% | 0.917 | 79% | 0.787 | S | S | * | * | | | trans | -83.7 | 120.9 | 164.1 | -62.9 | 167.4 | -177.3 | 165.4 | 0 | 109 | | |
| 210 | V | 31.9 | Very low | 32.5 | Very low | 144 Ų | 144 | 156.6 Ų | 156.6 | 87% | 0.873 | 79% | 0.79 | S | S | * | * | | | trans | -127.9 | 148.8 | 158.3 | -176.8 | 0 | 0 | 0 | 0 | 109.1 | | |
| 211 | K | 32.1 | Very low | 32.6 | Very low | 182 Ų | 182 | 157.2 Ų | 157.2 | 79% | 0.791 | 78% | 0.781 | S | S | * | * | | | trans | -128.6 | 154.8 | -167.2 | -145.1 | -178.9 | -172.3 | -179.6 | 0 | 108.8 | | |
| 212 | L | 33 | Very low | 32.7 | Very low | 143 Ų | 143 | 153.7 Ų | 153.7 | 75% | 0.749 | 78% | 0.778 | S | S | * | * | | | trans | 84.9 | 149 | 157.7 | -62.6 | 165.2 | 0 | 0 | 0 | 121.1 | | |
| 213 | K | 32.6 | Very low | 32.4 | Very low | 176 Ų | 176 | 153.2 Ų | 153.2 | 77% | 0.765 | 78% | 0.778 | S | S | * | * | | | trans | 78.9 | 84.8 | 146.6 | -78.1 | 166.7 | -179.7 | -174.5 | 0 | 120.9 | | |
| 214 | S | 30.5 | Very low | 32.1 | Very low | 111 Ų | 111 | 147.8 Ų | 147.8 | 78% | 0.776 | 77% | 0.771 | S | S | * | * | | | | 31.8 | 126.9 | 110.7 | 64.8 | 0 | 0 | 0 | 0 | 120.4 | | |
| 215 | K | 34.5 | Very low | 32 | Very low | 181 Ų | 181 | 147.5 Ų | 147.5 | 79% | 0.787 | 78% | 0.775 | S | S | * | * | | | trans | -140.2 | 161.3 | 139.4 | -139.1 | -169.7 | 176.4 | -125.8 | 0 | 110.7 | E217 | K215-E217 IonicContact NZ-OE1 2.81Å; K215-E217 IonicContact NZ-OE2 4Å; K215-E217 PolarHBondContact NZ-OE2 2.95Å |
| 216 | K | 33.6 | Very low | 32 | Very low | 184 Ų | 184 | 149 Ų | 149 | 80% | 0.8 | 77% | 0.773 | S | S | * | * | | | trans | -144 | 120.5 | -175.1 | 170.2 | -165.8 | 172 | -175.6 | 0 | 109.8 | | |
| 217 | E | 30.9 | Very low | 32.2 | Very low | 146 Ų | 146 | 146.2 Ų | 146.2 | 68% | 0.682 | 76% | 0.762 | S | S | * | * | | | trans | -151.3 | 132.1 | 157.5 | -96.2 | 125.4 | 179.3 | 0 | 0 | 104.9 | K215 | K215-E217 IonicContact NZ-OE1 2.81Å; K215-E217 IonicContact NZ-OE2 4Å; K215-E217 PolarHBondContact NZ-OE2 2.95Å |
| 218 | K | 33.2 | Very low | 32.4 | Very low | 170 Ų | 170 | 148.8 Ų | 148.8 | 74% | 0.739 | 76% | 0.763 | S | S | * | * | | | | 62.1 | 144.5 | 60.6 | -84.7 | -144.1 | 171.8 | -143.8 | 0 | 113.3 | | |
| 219 | E | 29.2 | Very low | 32.4 | Very low | 106 Ų | 106 | 148 Ų | 148 | 50% | 0.495 | 76% | 0.763 | S | S | . | * | | | cis | -171.6 | 135.3 | -24.8 | 177.9 | 178.3 | 168.5 | 0 | 0 | 106.3 | K221 | E219-K221 WeakPolarHBondContact OE1-CE 3.29Å; E219-K221 IonicContact OE1-NZ 2.69Å; E219-K221 PolarHBondContact OE1-NZ 3.1Å |
| 220 | S | 34.3 | Very low | 32.5 | Very low | 123 Ų | 123 | 147.2 Ų | 147.2 | 86% | 0.86 | 76% | 0.759 | S | S | * | * | | | trans | -149.9 | 151.4 | 161.5 | 56.4 | 0 | 0 | 0 | 0 | 110.5 | | |
| 221 | K | 31.4 | Very low | 32.5 | Very low | 147 Ų | 147 | 151.8 Ų | 151.8 | 64% | 0.639 | 76% | 0.761 | S | S | * | * | | | trans | -135.4 | 143.7 | -166.9 | -76.3 | 178.4 | 167.6 | 120 | 0 | 112.4 | E219 | E219-K221 WeakPolarHBondContact OE1-CE 3.29Å; E219-K221 IonicContact OE1-NZ 2.69Å; E219-K221 PolarHBondContact OE1-NZ 3.1Å |
| 222 | S | 33.9 | Very low | 32.9 | Very low | 114 Ų | 114 | 153.4 Ų | 153.4 | 80% | 0.797 | 77% | 0.768 | S | S | * | * | | | trans | -164.8 | 121.2 | 144.1 | 44.6 | 0 | 0 | 0 | 0 | 105.2 | | |
| 223 | E | 28.7 | Very low | 33 | Very low | 172 Ų | 172 | 155.4 Ų | 155.4 | 80% | 0.804 | 77% | 0.771 | S | S | * | * | | | cis | 55.4 | 111.5 | 41.8 | -60.8 | -176.9 | -170.4 | 0 | 0 | 112 | | |
| 224 | G | 28.2 | Very low | 33.2 | Very low | 69 Ų | 69 | 152.2 Ų | 152.2 | 71% | 0.711 | 77% | 0.77 | S | S | * | * | | | cis | 178.4 | -163.6 | -2.1 | 0 | 0 | 0 | 0 | 0 | 113.3 | | |
| 225 | N | 32.3 | Very low | 33.1 | Very low | 164 Ų | 164 | 151.1 Ų | 151.1 | 88% | 0.877 | 76% | 0.759 | S | S | * | * | | | trans | 65.8 | 76.7 | 166.2 | -60.2 | -9.9 | 0 | 0 | 0 | 118.6 | | |
| 226 | E | 31.3 | Very low | 33.1 | Very low | 173 Ų | 173 | 151.3 Ų | 151.3 | 81% | 0.808 | 76% | 0.763 | S | S | * | * | | | | -14.5 | 143.1 | 121.2 | -167.7 | -167 | -105.1 | 0 | 0 | 116.1 | | |
| 227 | I | 39.9 | Very low | 33.1 | Very low | 120 Ų | 120 | 149.1 Ų | 149.1 | 62% | 0.615 | 76% | 0.76 | S | S | * | * | | | | 161.7 | 123.8 | 128.3 | -85.2 | 175.1 | 0 | 0 | 0 | 115.2 | | |
| 228 | K | 34.3 | Very low | 33.5 | Very low | 182 Ų | 182 | 151.4 Ų | 151.4 | 79% | 0.791 | 77% | 0.771 | S | S | * | * | | | trans | 59.2 | 101.6 | 150.8 | -67.7 | 164.9 | -156.6 | 155 | 0 | 123.6 | | |
| 229 | A | 32.8 | Very low | 33.6 | Very low | 89 Ų | 89 | 151.4 Ų | 151.4 | 74% | 0.736 | 77% | 0.773 | S | S | * | * | | | | 87.2 | 154 | 99.9 | 0 | 0 | 0 | 0 | 0 | 124.2 | | |
| 230 | K | 33.8 | Very low | 34 | Very low | 195 Ų | 195 | 153.8 Ų | 153.8 | 85% | 0.848 | 79% | 0.788 | S | S | * | * | | | trans | 73 | 87.5 | 157.1 | -70.7 | 177.3 | -179 | 177.1 | 0 | 120.5 | | |
| 231 | R | 33.2 | Very low | 34.2 | Very low | 240 Ų | 240 | 155.4 Ų | 155.4 | 91% | 0.906 | 79% | 0.786 | S | S | * | * | | | | 46.5 | 99.5 | 104.8 | -172.3 | -169.3 | -172.8 | -173 | 3.3 | 117.3 | | |
| 232 | K | 38.9 | Very low | 35.1 | Very low | 216 Ų | 216 | 152.7 Ų | 152.7 | 94% | 0.939 | 78% | 0.783 | S | S | * | * | | | trans | -128.1 | 159.5 | 142.4 | -82.2 | -167.3 | 174.9 | -176.3 | 0 | 110.1 | | |
| 233 | K | 36.4 | Very low | 35.1 | Very low | 186 Ų | 186 | 155.4 Ų | 155.4 | 81% | 0.809 | 78% | 0.781 | S | S | * | * | | | trans | -153.2 | 122.3 | -173.9 | -179.5 | -158.3 | 176.3 | -161.5 | 0 | 109.7 | | |
| 234 | S | 35.5 | Very low | 35.3 | Very low | 108 Ų | 108 | 155.5 Ų | 155.5 | 76% | 0.755 | 78% | 0.778 | S | S | * | * | | | trans | -159.6 | 132.6 | 158.2 | 43.3 | 0 | 0 | 0 | 0 | 106.1 | | |
| 235 | T | 29.8 | Very low | 35.6 | Very low | 89 Ų | 89 | 160.6 Ų | 160.6 | 55% | 0.546 | 78% | 0.781 | S | S | . | * | | | cis | 68.5 | 88.6 | 31.5 | 75.3 | 0 | 0 | 0 | 0 | 114.5 | | |
| 236 | E | 34.1 | Very low | 35.7 | Very low | 184 Ų | 184 | 160 Ų | 160 | 86% | 0.86 | 78% | 0.778 | S | S | * | * | | | | -121.9 | 131.5 | 113.7 | -81.1 | 142.3 | -155.6 | 0 | 0 | 104.1 | | |
| 237 | D | 32.9 | Very low | 36 | Very low | 138 Ų | 138 | 159.7 Ų | 159.7 | 74% | 0.738 | 77% | 0.774 | S | S | * | * | | | | 77.4 | 134.4 | 56.4 | -57.1 | -36.9 | 0 | 0 | 0 | 111.1 | | |
| 238 | E | 39.9 | Very low | 35.9 | Very low | 195 Ų | 195 | 160.2 Ų | 160.2 | 91% | 0.911 | 78% | 0.777 | S | S | * | * | | | cis | -112.3 | 163.4 | 22.4 | -60.8 | -167.4 | 121.9 | 0 | 0 | 117.7 | | |
| 239 | E | 34.8 | Very low | 36.1 | Very low | 170 Ų | 170 | 160 Ų | 160 | 79% | 0.794 | 78% | 0.776 | S | S | * | * | | | trans | -75.7 | 148.8 | 162 | -170.2 | 166.4 | -151.6 | 0 | 0 | 109.2 | | |
| 240 | I | 36.6 | Very low | 36.2 | Very low | 156 Ų | 156 | 163.1 Ų | 163.1 | 80% | 0.8 | 78% | 0.78 | S | S | * | * | | | | -174.2 | 133.9 | 90.8 | -83.5 | 160.5 | 0 | 0 | 0 | 110 | | |
| 241 | L | 39.7 | Very low | 36.2 | Very low | 156 Ų | 156 | 162 Ų | 162 | 82% | 0.817 | 78% | 0.775 | S | S | * | * | | | trans | -95.8 | -166.3 | 172.4 | -57.1 | 170.9 | 0 | 0 | 0 | 109 | | |
| 242 | P | 50.8 | Low | 35.9 | Very low | 90 Ų | 90 | 156.7 Ų | 156.7 | 58% | 0.584 | 76% | 0.761 | S | S | * | * | | | cis | -148.5 | -168.5 | -0.2 | 42.2 | -20.8 | 0 | 0 | 0 | 116.9 | | |
| 243 | K | 33.6 | Very low | 35.6 | Very low | 172 Ų | 172 | 153.3 Ų | 153.3 | 75% | 0.748 | 75% | 0.752 | S | S | * | * | | | trans | 92.5 | 115.5 | 146.3 | -75.7 | 160.2 | -158.4 | 153.7 | 0 | 121.4 | | |
| 244 | K | 33.4 | Very low | 35.2 | Very low | 173 Ų | 173 | 149.7 Ų | 149.7 | 75% | 0.752 | 75% | 0.75 | S | S | * | * | | | trans | 94.8 | 111.6 | 130.2 | -70.2 | 167.7 | -178.3 | 174.9 | 0 | 121.8 | | |
| 245 | K | 34.3 | Very low | 34.8 | Very low | 177 Ų | 177 | 150.3 Ų | 150.3 | 77% | 0.77 | 75% | 0.749 | S | S | * | * | | | | 78.6 | 145.4 | 127.8 | -70.1 | -173.7 | 174.5 | -173.7 | 0 | 120.9 | | |
| 246 | N | 34 | Very low | 35 | Very low | 150 Ų | 150 | 153.7 Ų | 153.7 | 80% | 0.802 | 76% | 0.758 | S | S | * | * | | | trans | 73.3 | 160.7 | 156.9 | -63.8 | -15.7 | 0 | 0 | 0 | 118 | | |
| 247 | K | 37.3 | Very low | 35 | Very low | 167 Ų | 167 | 154 Ų | 154 | 73% | 0.726 | 76% | 0.76 | S | S | * | * | | | cis | -175.9 | 135.6 | -42.4 | -151.6 | -168.6 | 179.8 | 178.8 | 0 | 107.9 | | |
| 248 | L | 38.9 | Very low | 34.8 | Very low | 132 Ų | 132 | 154.4 Ų | 154.4 | 69% | 0.691 | 76% | 0.762 | S | S | * | * | | | trans | 68.6 | 162.9 | 169.1 | -45.1 | -175.3 | 0 | 0 | 0 | 114.4 | | |
| 249 | K | 37 | Very low | 34.4 | Very low | 177 Ų | 177 | 150.7 Ų | 150.7 | 77% | 0.77 | 75% | 0.752 | S | S | * | * | | | cis | -158.6 | 166.4 | -11.1 | -125.6 | 170.3 | -171.1 | -178 | 0 | 111.9 | | |
| 250 | N | 35.1 | Very low | 34.3 | Very low | 154 Ų | 154 | 147.6 Ų | 147.6 | 82% | 0.824 | 75% | 0.749 | S | S | * | * | | | trans | -61.1 | 157.2 | -177.1 | -37.5 | 3 | 0 | 0 | 0 | 117.4 | | |
| 251 | K | 33.7 | Very low | 34.1 | Very low | 171 Ų | 171 | 148.2 Ų | 148.2 | 74% | 0.743 | 75% | 0.749 | S | S | * | * | | | trans | -156.2 | 158.4 | 146.1 | -99.9 | 170.5 | 162.3 | -79.6 | 0 | 105.8 | | |
| 252 | E | 27.8 | Very low | 33.8 | Very low | 129 Ų | 129 | 144.8 Ų | 144.8 | 60% | 0.603 | 73% | 0.734 | S | S | * | * | | | cis | -151.5 | 150.2 | 4.6 | -156.3 | 99.9 | -127.3 | 0 | 0 | 111.2 | | |
| 253 | I | 31.3 | Very low | 32.8 | Very low | 146 Ų | 146 | 148.9 Ų | 148.9 | 75% | 0.749 | 74% | 0.743 | S | S | * | * | | | trans | 17.6 | 137.9 | 146.6 | -66.2 | 164.9 | 0 | 0 | 0 | 123.7 | | |
| 254 | S | 28.2 | Very low | 32.7 | Very low | 109 Ų | 109 | 146 Ų | 146 | 76% | 0.762 | 75% | 0.745 | S | S | * | * | | | trans | -173.4 | 168.7 | 136.9 | 61.4 | 0 | 0 | 0 | 0 | 110 | | |
| 255 | V | 28.7 | Very low | 32.6 | Very low | 122 Ų | 122 | 147.2 Ų | 147.2 | 74% | 0.739 | 75% | 0.75 | S | S | * | * | | | cis | -163.5 | 171.4 | -30.5 | 137.6 | 0 | 0 | 0 | 0 | 107.6 | | |
| 256 | E | 33.8 | Very low | 32.5 | Very low | 159 Ų | 159 | 148.2 Ų | 148.2 | 74% | 0.743 | 75% | 0.754 | S | S | * | * | | | trans | -59.2 | -176.9 | 170.6 | -64.7 | 89.7 | 177.9 | 0 | 0 | 115.3 | | |
| 257 | E | 32.8 | Very low | 32.6 | Very low | 192 Ų | 192 | 149.6 Ų | 149.6 | 90% | 0.897 | 75% | 0.753 | S | S | * | * | | | cis | -151.7 | -156.8 | 19.9 | -157.1 | 168.1 | -113 | 0 | 0 | 113.3 | | |
| 258 | D | 29.3 | Very low | 32.3 | Very low | 146 Ų | 146 | 149.7 Ų | 149.7 | 78% | 0.781 | 76% | 0.761 | S | S | * | * | | | trans | -149.4 | -171.7 | -130.6 | -168.9 | 31.1 | 0 | 0 | 0 | 118.5 | | |
| 259 | V | 31 | Very low | 32 | Very low | 116 Ų | 116 | 153.4 Ų | 153.4 | 70% | 0.703 | 77% | 0.772 | S | S | * | * | | | trans | 88 | 140.5 | 160.8 | -148.5 | 0 | 0 | 0 | 0 | 120.5 | | |
| 260 | S | 32.2 | Very low | 31.8 | Very low | 105 Ų | 105 | 150.2 Ų | 150.2 | 73% | 0.734 | 77% | 0.772 | S | S | * | * | | | trans | 91.1 | 123.5 | 156 | 70.9 | 0 | 0 | 0 | 0 | 119 | | |
| 261 | E | 33.2 | Very low | 31.9 | Very low | 170 Ų | 170 | 152.5 Ų | 152.5 | 79% | 0.794 | 77% | 0.774 | S | S | * | * | | | | 79.4 | 137.3 | 53.5 | -80.6 | -124.3 | 125.2 | 0 | 0 | 113.2 | | |
| 262 | V | 33.2 | Very low | 31.8 | Very low | 83 Ų | 83 | 154.2 Ų | 154.2 | 50% | 0.503 | 78% | 0.782 | S | S | . | * | | | cis | -166.4 | 156.8 | -1.9 | 81.3 | 0 | 0 | 0 | 0 | 113.5 | | |
| 263 | K | 30.7 | Very low | 32 | Very low | 176 Ų | 176 | 152 Ų | 152 | 77% | 0.765 | 79% | 0.786 | S | S | * | * | | | trans | 59.4 | 162.8 | 158.7 | -73.5 | 152.2 | -148.3 | 151.4 | 0 | 118.1 | | |
| 264 | S | 31.5 | Very low | 32.2 | Very low | 112 Ų | 112 | 154.6 Ų | 154.6 | 78% | 0.783 | 79% | 0.792 | S | S | * | * | | | cis | -157.2 | 170.4 | -15.8 | 41.2 | 0 | 0 | 0 | 0 | 112.6 | | |
| 265 | K | 31.6 | Very low | 32.3 | Very low | 198 Ų | 198 | 157.3 Ų | 157.3 | 86% | 0.861 | 79% | 0.793 | S | S | * | * | | | trans | -71.8 | 174.2 | 170.5 | -57.6 | 160.6 | -174.1 | 167.5 | 0 | 109.8 | | |
| 266 | K | 32.2 | Very low | 32.5 | Very low | 198 Ų | 198 | 159.8 Ų | 159.8 | 86% | 0.861 | 80% | 0.796 | S | S | * | * | | | cis | -166 | 167.5 | 28.8 | -165.5 | 178.1 | 176.7 | -174 | 0 | 111.6 | | |
| 267 | K | 35.3 | Very low | 32.4 | Very low | 180 Ų | 180 | 159.9 Ų | 159.9 | 78% | 0.783 | 80% | 0.801 | S | S | * | * | | | trans | -52.9 | 159 | 173.6 | -50.2 | 174.2 | 178.5 | -179.9 | 0 | 114.9 | | |
| 268 | N | 30.3 | Very low | 32.1 | Very low | 168 Ų | 168 | 154 Ų | 154 | 90% | 0.898 | 79% | 0.792 | S | S | * | * | | | | -161.7 | 175.1 | 114.5 | -104.2 | -7.8 | 0 | 0 | 0 | 115.2 | | |
| 269 | K | 33.8 | Very low | 32 | Very low | 211 Ų | 211 | 154.3 Ų | 154.3 | 92% | 0.917 | 79% | 0.794 | S | S | * | * | | | trans | -113 | 150.7 | -168.9 | -175.5 | 179 | 178.4 | -177 | 0 | 110.9 | | |
| 270 | S | 32.3 | Very low | 32.1 | Very low | 109 Ų | 109 | 154 Ų | 154 | 76% | 0.762 | 79% | 0.792 | S | S | * | * | | | trans | -106.8 | 153.2 | -161.2 | 54.2 | 0 | 0 | 0 | 0 | 117.2 | | |
| 271 | K | 36.3 | Very low | 32 | Very low | 202 Ų | 202 | 157.8 Ų | 157.8 | 88% | 0.878 | 80% | 0.798 | S | S | * | * | | | trans | 146.9 | 106.9 | 154.2 | -85.1 | 173.3 | -179.1 | -169.7 | 0 | 107.2 | | |
| 272 | K | 32.8 | Very low | 31.9 | Very low | 207 Ų | 207 | 153.9 Ų | 153.9 | 90% | 0.9 | 80% | 0.795 | S | S | * | * | | | cis | 74.5 | 123.1 | 49.7 | -165.1 | -177.6 | -177.3 | 173.6 | 0 | 112.7 | | |
| 273 | A | 32.3 | Very low | 31.8 | Very low | 84 Ų | 84 | 158 Ų | 158 | 69% | 0.694 | 81% | 0.809 | S | S | * | * | | | cis | -172.1 | 159.8 | -19.3 | 0 | 0 | 0 | 0 | 0 | 110.4 | | |
| 274 | K | 34.1 | Very low | 31.7 | Very low | 199 Ų | 199 | 157.2 Ų | 157.2 | 87% | 0.865 | 81% | 0.808 | S | S | * | * | | | trans | -171.9 | 154 | 134.6 | -114.9 | -166.7 | 172.4 | -156.9 | 0 | 111.5 | | |
| 275 | E | 31.8 | Very low | 31.7 | Very low | 167 Ų | 167 | 159 Ų | 159 | 78% | 0.78 | 81% | 0.806 | S | S | * | * | | | trans | -64.8 | 168 | 158.2 | -63 | 101.2 | 152.1 | 0 | 0 | 110.9 | | |
| 276 | E | 32.4 | Very low | 31.9 | Very low | 173 Ų | 173 | 157.6 Ų | 157.6 | 81% | 0.808 | 80% | 0.802 | S | S | * | * | | | cis | -158.3 | 158.5 | 28.2 | -159.8 | 163 | -150.1 | 0 | 0 | 111.1 | | |
| 277 | D | 31.6 | Very low | 32.8 | Very low | 161 Ų | 161 | 151.8 Ų | 151.8 | 86% | 0.861 | 79% | 0.785 | S | S | * | * | | | trans | 31.6 | 153.3 | 164.6 | -80.8 | -34.8 | 0 | 0 | 0 | 125 | | |
| 278 | G | 26.4 | Very low | 32.5 | Very low | 68 Ų | 68 | 150.7 Ų | 150.7 | 70% | 0.701 | 78% | 0.782 | S | S | * | * | | | | 128.1 | 43.8 | 124.1 | 0 | 0 | 0 | 0 | 0 | 124.4 | | |
| 279 | N | 27.9 | Very low | 32.7 | Very low | 154 Ų | 154 | 150.4 Ų | 150.4 | 82% | 0.824 | 77% | 0.773 | S | S | * | * | | | trans | 63.1 | 158.1 | 140.7 | -156.1 | 20.1 | 0 | 0 | 0 | 122 | | |
| 280 | V | 32.4 | Very low | 32.8 | Very low | 109 Ų | 109 | 149 Ų | 149 | 66% | 0.661 | 77% | 0.767 | S | S | * | * | | | trans | 57.1 | 111.8 | 169.5 | -156.9 | 0 | 0 | 0 | 0 | 115.7 | | |
| 281 | E | 29.9 | Very low | 33 | Very low | 184 Ų | 184 | 152.7 Ų | 152.7 | 86% | 0.86 | 77% | 0.769 | S | S | * | * | | | | 74.1 | 145.3 | 59 | -164.2 | 172.2 | -112.4 | 0 | 0 | 114.6 | | |
| 282 | A | 32.2 | Very low | 32.9 | Very low | 88 Ų | 88 | 154.5 Ų | 154.5 | 73% | 0.727 | 77% | 0.771 | S | S | * | * | | | trans | 65.5 | 152.4 | 178.3 | 0 | 0 | 0 | 0 | 0 | 117.2 | | |
| 283 | E | 30.5 | Very low | 32.8 | Very low | 170 Ų | 170 | 153 Ų | 153 | 79% | 0.794 | 76% | 0.764 | S | S | * | * | | | cis | -161.6 | 162.6 | -35.9 | -147.4 | 177.5 | 176.8 | 0 | 0 | 108.1 | | |
| 284 | E | 28.1 | Very low | 32.6 | Very low | 160 Ų | 160 | 159.3 Ų | 159.3 | 75% | 0.748 | 77% | 0.77 | S | S | * | * | | | trans | 59.3 | 163 | 162.7 | -66.8 | -151 | 119.1 | 0 | 0 | 118.2 | | |
| 285 | M | 32.3 | Very low | 32.4 | Very low | 149 Ų | 149 | 156.1 Ų | 156.1 | 73% | 0.734 | 77% | 0.767 | S | S | * | * | | | cis | -147.1 | 138.3 | -6.3 | -129.4 | 170.9 | 79.4 | 0 | 0 | 110.3 | | |
| 286 | E | 35.3 | Very low | 32.5 | Very low | 168 Ų | 168 | 156.2 Ų | 156.2 | 79% | 0.785 | 77% | 0.765 | S | S | * | * | | | trans | -80.9 | -177.9 | 146.7 | -123.7 | -161.8 | -162.3 | 0 | 0 | 107.6 | | |
| 287 | P | 50 | Low | 32.4 | Very low | 76 Ų | 76 | 154 Ų | 154 | 49% | 0.494 | 75% | 0.754 | S | S | . | * | | | cis | -138.8 | -156.1 | -8.1 | 26.1 | 0.2 | 0 | 0 | 0 | 113.8 | | |
| 288 | Q | 29.5 | Very low | 32.3 | Very low | 158 Ų | 158 | 154.3 Ų | 154.3 | 74% | 0.738 | 75% | 0.751 | S | S | * | * | | | trans | 88.9 | 139.1 | 154.9 | -48.3 | -155.9 | 56 | 0 | 0 | 116.5 | | |
| 289 | K | 34 | Very low | 32.4 | Very low | 162 Ų | 162 | 160 Ų | 160 | 70% | 0.704 | 76% | 0.759 | S | S | * | * | | | cis | 125.6 | 107.8 | 5.1 | -85.8 | 166 | -176.2 | 159.3 | 0 | 110 | | |
| 290 | K | 37.2 | Very low | 32.2 | Very low | 181 Ų | 181 | 155.8 Ų | 155.8 | 79% | 0.787 | 75% | 0.752 | S | S | * | * | | | trans | 79.1 | 118.1 | 141.1 | -61.9 | 173.1 | 179.7 | 174.2 | 0 | 122 | | |
| 291 | K | 36.4 | Very low | 32.1 | Very low | 187 Ų | 187 | 157 Ų | 157 | 81% | 0.813 | 76% | 0.76 | S | S | * | * | | | | 89.4 | 143.7 | 126.2 | -76.6 | -176.8 | 173.2 | -170 | 0 | 122.1 | | |
| 292 | R | 33.8 | Very low | 32.1 | Very low | 240 Ų | 240 | 156.8 Ų | 156.8 | 91% | 0.906 | 76% | 0.758 | S | S | * | * | | | trans | 78.9 | 152.1 | 166.2 | -65.4 | 168.6 | 158.9 | -179.9 | -7.5 | 114.1 | | |
| 293 | K | 29.9 | Very low | 32.1 | Very low | 174 Ų | 174 | 160.5 Ų | 160.5 | 76% | 0.757 | 77% | 0.766 | S | S | * | * | | | cis | -158 | 143.8 | 12.3 | -160.9 | -177.4 | 177.2 | -174.8 | 0 | 111.8 | | |
| 294 | R | 29 | Very low | 32 | Very low | 217 Ų | 217 | 155.3 Ų | 155.3 | 82% | 0.819 | 76% | 0.759 | S | S | * | * | | | trans | 52.4 | 124.1 | 160.1 | -79.7 | -176.3 | 176.2 | 178.9 | -3.9 | 118.9 | | |
| 295 | V | 30.3 | Very low | 32.1 | Very low | 133 Ų | 133 | 154.5 Ų | 154.5 | 81% | 0.806 | 76% | 0.764 | S | S | * | * | | | | 91.9 | 97.3 | 61.7 | 167.4 | 0 | 0 | 0 | 0 | 114.2 | | |
| 296 | K | 33.7 | Very low | 31.9 | Very low | 169 Ų | 169 | 151.3 Ų | 151.3 | 74% | 0.735 | 76% | 0.761 | S | S | * | * | | | trans | 179.6 | 148.9 | 135.6 | -102.2 | -177.3 | 164.1 | -118.8 | 0 | 106.3 | | |
| 297 | E | 30 | Very low | 31.6 | Very low | 126 Ų | 126 | 151.1 Ų | 151.1 | 59% | 0.589 | 77% | 0.765 | S | S | * | * | | | cis | -133.5 | 168.8 | 1.4 | -153.2 | 98.9 | -124.9 | 0 | 0 | 109.2 | | |
| 298 | E | 29.9 | Very low | 30.5 | Very low | 167 Ų | 167 | 152.3 Ų | 152.3 | 78% | 0.78 | 78% | 0.781 | S | S | * | * | | | trans | -31.1 | 159.3 | 173.1 | -72.9 | 148.4 | -163.8 | 0 | 0 | 116.9 | | |
| 299 | E | 27.3 | Very low | 30.6 | Very low | 188 Ų | 188 | 149.4 Ų | 149.4 | 88% | 0.879 | 78% | 0.784 | S | S | * | * | | | cis | 174.9 | 148.7 | -6.4 | 175.8 | 171.6 | -115.2 | 0 | 0 | 102.8 | | |
| 300 | G | 25.1 | Very low | 30.5 | Very low | 66 Ų | 66 | 149.7 Ų | 149.7 | 68% | 0.68 | 79% | 0.788 | S | S | * | * | | | cis | -154.1 | -154.3 | 2.2 | 0 | 0 | 0 | 0 | 0 | 112.3 | | |
| 301 | V | 29.1 | Very low | 30.9 | Very low | 135 Ų | 135 | 146.1 Ų | 146.1 | 82% | 0.818 | 78% | 0.783 | S | S | * | * | | | trans | -92.2 | 162.8 | 179 | -177.2 | 0 | 0 | 0 | 0 | 107.9 | | |
| 302 | E | 30.8 | Very low | 30.8 | Very low | 178 Ų | 178 | 143.6 Ų | 143.6 | 83% | 0.832 | 77% | 0.774 | S | S | * | * | | | | -177.3 | 141.5 | 94.8 | -92.2 | 177 | -170.9 | 0 | 0 | 114.9 | | |
| 303 | D | 32.4 | Very low | 30.9 | Very low | 166 Ų | 166 | 137.2 Ų | 137.2 | 89% | 0.888 | 77% | 0.767 | S | S | * | * | | | trans | -72.2 | 121.5 | 148 | -77 | -67.2 | 0 | 0 | 0 | 108.4 | | |
| 304 | G | 28.7 | Very low | 31.2 | Very low | 62 Ų | 62 | 136.3 Ų | 136.3 | 64% | 0.639 | 76% | 0.763 | S | S | * | * | | | trans | -159.7 | 57.1 | -165.7 | 0 | 0 | 0 | 0 | 0 | 119.6 | | |
| 305 | V | 30.1 | Very low | 31.5 | Very low | 143 Ų | 143 | 135.6 Ų | 135.6 | 87% | 0.867 | 77% | 0.765 | S | S | * | * | | | trans | 46.3 | 130.9 | 140.2 | 177.4 | 0 | 0 | 0 | 0 | 121.5 | | |
| 306 | A | 27.1 | Very low | 31.9 | Very low | 81 Ų | 81 | 135.2 Ų | 135.2 | 67% | 0.669 | 77% | 0.769 | S | S | * | * | | | trans | 90.5 | 116.8 | 151.6 | 0 | 0 | 0 | 0 | 0 | 122.3 | | |
| 307 | L | 29.6 | Very low | 32.3 | Very low | 165 Ų | 165 | 136.9 Ų | 136.9 | 86% | 0.864 | 78% | 0.776 | S | S | * | * | | | | 60.5 | 108.6 | 126.4 | -61.2 | 173.5 | 0 | 0 | 0 | 122.1 | | |
| 308 | A | 27.8 | Very low | 32.7 | Very low | 100 Ų | 100 | 142.8 Ų | 142.8 | 83% | 0.826 | 79% | 0.793 | S | S | * | * | | | | 81.2 | 170.9 | 126.5 | 0 | 0 | 0 | 0 | 0 | 120.1 | | |
| 309 | A | 29.7 | Very low | 33 | Very low | 98 Ų | 98 | 144 Ų | 144 | 81% | 0.81 | 80% | 0.795 | S | S | * | * | | | trans | 72.4 | 97.9 | 177.3 | 0 | 0 | 0 | 0 | 0 | 118.2 | | |
| 310 | E | 33.6 | Very low | 33.5 | Very low | 168 Ų | 168 | 143.2 Ų | 143.2 | 79% | 0.785 | 79% | 0.789 | S | S | * | * | | | trans | -41.6 | 160.4 | 134.1 | -123.3 | -150.3 | 112.6 | 0 | 0 | 111.6 | Q312 | E310-Q312 PolarHBondContact OE1-N 3.47Š|
| 311 | P | 44.1 | Very low | 33.9 | Very low | 106 Ų | 106 | 147.6 Ų | 147.6 | 69% | 0.688 | 80% | 0.797 | S | S | * | * | | | | -160 | 169.6 | 61.8 | 43.8 | -22.2 | 0 | 0 | 0 | 120.6 | | |
| 312 | Q | 34.7 | Very low | 34.1 | Very low | 133 Ų | 133 | 145.8 Ų | 145.8 | 62% | 0.621 | 79% | 0.79 | S | S | * | * | | | trans | 87.4 | 133.1 | 149 | -55.7 | -142.7 | 32.6 | 0 | 0 | 123.1 | E310 | E310-Q312 PolarHBondContact OE1-N 3.47Š|
| 313 | S | 36 | Very low | 34.2 | Very low | 107 Ų | 107 | 142.3 Ų | 142.3 | 75% | 0.748 | 79% | 0.792 | S | S | * | * | | | trans | 96 | 148.2 | 137.1 | 82.9 | 0 | 0 | 0 | 0 | 119.8 | | |
| 314 | K | 36.6 | Very low | 34.4 | Very low | 155 Ų | 155 | 142.6 Ų | 142.6 | 67% | 0.674 | 79% | 0.785 | S | S | * | * | | | cis | -168.5 | 131.5 | -46.9 | -111.2 | 153.2 | -172.6 | 162.1 | 0 | 109.8 | | |
| 315 | K | 36.1 | Very low | 34.5 | Very low | 201 Ų | 201 | 145.9 Ų | 145.9 | 87% | 0.874 | 79% | 0.788 | S | S | * | * | | | trans | 57.1 | 132.1 | 151.3 | -59.3 | 176.4 | 178.8 | 178.5 | 0 | 120.6 | | |
| 316 | S | 37 | Very low | 34.3 | Very low | 125 Ų | 125 | 142.2 Ų | 142.2 | 87% | 0.874 | 78% | 0.78 | S | S | * | * | | | trans | -140.9 | 164.6 | 134.9 | 76.8 | 0 | 0 | 0 | 0 | 110.7 | | |
| 317 | K | 42.7 | Very low | 34.5 | Very low | 204 Ų | 204 | 147.4 Ų | 147.4 | 89% | 0.887 | 79% | 0.79 | S | S | * | * | | | trans | -99.8 | 154.7 | -174.8 | -67.9 | 173.9 | 177.3 | 171.6 | 0 | 111.3 | | |
| 318 | R | 38.2 | Very low | 34.4 | Very low | 251 Ų | 251 | 145.7 Ų | 145.7 | 95% | 0.947 | 78% | 0.781 | S | S | * | * | | | trans | -135.6 | 150.7 | 151 | -161.2 | 162.8 | -179.9 | 155.6 | -0.1 | 111.6 | | |
| 319 | K | 36.8 | Very low | 34.6 | Very low | 191 Ų | 191 | 148 Ų | 148 | 83% | 0.83 | 79% | 0.785 | S | S | * | * | | | trans | -105.8 | 152.4 | -174 | -72.4 | -179.4 | 175.2 | 176.5 | 0 | 112.1 | | |
| 320 | K | 37.7 | Very low | 34.6 | Very low | 172 Ų | 172 | 150 Ų | 150 | 75% | 0.748 | 78% | 0.783 | S | S | * | * | | | trans | 48.5 | 124.1 | 134.4 | -171.8 | 179.1 | 177.4 | -175.7 | 0 | 118.7 | | |
| 321 | N | 33.9 | Very low | 34.5 | Very low | 158 Ų | 158 | 147.4 Ų | 147.4 | 85% | 0.845 | 78% | 0.778 | S | S | * | * | | | | -159.4 | 153.8 | 116.8 | -96.5 | -12.1 | 0 | 0 | 0 | 111.5 | | |
| 322 | S | 32.5 | Very low | 33.7 | Very low | 97 Ų | 97 | 149.9 Ų | 149.9 | 68% | 0.678 | 78% | 0.781 | S | S | * | * | | | trans | -141.4 | 124.1 | -175.4 | 53.3 | 0 | 0 | 0 | 0 | 109 | | |
| 323 | A | 33.7 | Very low | 33.5 | Very low | 105 Ų | 105 | 146.6 Ų | 146.6 | 87% | 0.868 | 78% | 0.776 | S | S | * | * | | | trans | -78.4 | 164.8 | 163.2 | 0 | 0 | 0 | 0 | 0 | 109.7 | | |
| 324 | K | 36.8 | Very low | 33.3 | Very low | 172 Ų | 172 | 150.3 Ų | 150.3 | 75% | 0.748 | 78% | 0.779 | S | S | * | * | | | trans | -143.9 | 161 | -171.2 | -139.5 | -179 | 161.7 | -82.9 | 0 | 112 | | |
| 325 | D | 29.2 | Very low | 33.1 | Very low | 132 Ų | 132 | 147.5 Ų | 147.5 | 71% | 0.706 | 78% | 0.784 | S | S | * | * | | | trans | 72.1 | 132.5 | 167.8 | -50.6 | -33.7 | 0 | 0 | 0 | 116.8 | | |
| 326 | G | 27.5 | Very low | 33.1 | Very low | 66 Ų | 66 | 143.9 Ų | 143.9 | 68% | 0.68 | 78% | 0.779 | S | S | * | * | | | cis | -174.6 | -174.1 | -4.3 | 0 | 0 | 0 | 0 | 0 | 115.6 | | |
| 327 | Q | 30.5 | Very low | 32.9 | Very low | 190 Ų | 190 | 148.1 Ų | 148.1 | 89% | 0.888 | 78% | 0.776 | S | S | * | * | | | trans | 65 | 152.3 | 177.2 | -66.7 | -165.1 | -66.1 | 0 | 0 | 118.1 | | |
| 328 | D | 27.2 | Very low | 32.6 | Very low | 128 Ų | 128 | 146.8 Ų | 146.8 | 68% | 0.684 | 77% | 0.77 | S | S | * | * | | | cis | -160.8 | 127.8 | -39.3 | -152.7 | -22.5 | 0 | 0 | 0 | 108.8 | | |
| 329 | V | 32.2 | Very low | 32.4 | Very low | 150 Ų | 150 | 144.1 Ų | 144.1 | 91% | 0.909 | 77% | 0.765 | S | S | * | * | | | trans | -167.9 | 123.9 | 161.7 | -105.9 | 0 | 0 | 0 | 0 | 108.9 | | |
| 330 | N | 29.1 | Very low | 32.6 | Very low | 140 Ų | 140 | 144.6 Ų | 144.6 | 75% | 0.749 | 77% | 0.767 | S | S | * | * | | | trans | -149.6 | 158.6 | 176.3 | -164.2 | 3.1 | 0 | 0 | 0 | 110 | | |
| 331 | T | 31.1 | Very low | 32.6 | Very low | 113 Ų | 113 | 145.2 Ų | 145.2 | 69% | 0.693 | 77% | 0.77 | S | S | * | * | | | trans | 71.1 | 148.8 | 171 | 91.1 | 0 | 0 | 0 | 0 | 116.4 | | |
| 332 | E | 28.8 | Very low | 32.8 | Very low | 158 Ų | 158 | 146.1 Ų | 146.1 | 74% | 0.738 | 77% | 0.767 | S | S | * | * | | | cis | -155.2 | 169 | -8.3 | -139 | -165.4 | 113.5 | 0 | 0 | 113.7 | | |
| 333 | A | 30 | Very low | 32.8 | Very low | 63 Ų | 63 | 147.1 Ų | 147.1 | 52% | 0.521 | 76% | 0.764 | S | S | . | * | | | trans | 70.2 | 125.7 | 135.4 | 0 | 0 | 0 | 0 | 0 | 123.8 | | |
| 334 | K | 30.9 | Very low | 32.9 | Very low | 186 Ų | 186 | 148.5 Ų | 148.5 | 81% | 0.809 | 75% | 0.751 | S | S | * | * | | | | 65.4 | 111.8 | 129.8 | -65.4 | 167.7 | -174.1 | 147.4 | 0 | 119.3 | | |
| 335 | A | 33.3 | Very low | 32.7 | Very low | 96 Ų | 96 | 147 Ų | 147 | 79% | 0.793 | 75% | 0.746 | S | S | * | * | | | trans | -69.3 | 151.9 | 158.7 | 0 | 0 | 0 | 0 | 0 | 112.7 | | |
| 336 | T | 35.2 | Very low | 32.9 | Very low | 124 Ų | 124 | 147.3 Ų | 147.3 | 76% | 0.761 | 74% | 0.743 | S | S | * | * | | | trans | -161.8 | 142.7 | 142.4 | 9.7 | 0 | 0 | 0 | 0 | 113.8 | | |
| 337 | R | 32.5 | Very low | 33.2 | Very low | 214 Ų | 214 | 152.7 Ų | 152.7 | 81% | 0.808 | 75% | 0.751 | S | S | * | * | | | trans | 72.4 | 105.2 | 147.2 | -71 | 171.2 | 175.2 | -167.9 | -1.6 | 121.5 | | |
| 338 | K | 37.1 | Very low | 33.4 | Very low | 177 Ų | 177 | 152 Ų | 152 | 77% | 0.77 | 75% | 0.748 | S | S | * | * | | | | 108.3 | 98.8 | 123 | -71.2 | 175.1 | 177.9 | -179.3 | 0 | 121.7 | | |
| 339 | K | 34.7 | Very low | 33.6 | Very low | 194 Ų | 194 | 153.5 Ų | 153.5 | 84% | 0.843 | 76% | 0.756 | S | S | * | * | | | | 68.1 | 101.9 | 122.1 | -67.5 | -171.7 | 173.5 | -174.1 | 0 | 122.2 | | |
| 340 | K | 40.2 | Very low | 34.1 | Very low | 202 Ų | 202 | 151.5 Ų | 151.5 | 88% | 0.878 | 75% | 0.748 | S | S | * | * | | | | -179 | 123.5 | 113.3 | -97.4 | 175 | 179.2 | -179.1 | 0 | 106.1 | | |
| 341 | K | 38.4 | Very low | 34.3 | Very low | 184 Ų | 184 | 154.3 Ų | 154.3 | 80% | 0.8 | 76% | 0.757 | S | S | * | * | | | cis | 61.6 | 116.8 | 37.8 | -153.5 | 173.1 | -171.7 | 176.9 | 0 | 111.1 | | |
| 342 | K | 37.7 | Very low | 34.7 | Very low | 178 Ų | 178 | 155.5 Ų | 155.5 | 77% | 0.774 | 76% | 0.759 | S | S | * | * | | | cis | -128.8 | 139.5 | 39.1 | -81.3 | -175.4 | 170.9 | -175.5 | 0 | 113.7 | | |
| 343 | N | 32.9 | Very low | 35 | Very low | 117 Ų | 117 | 157.9 Ų | 157.9 | 63% | 0.626 | 77% | 0.767 | S | S | * | * | | | | 94 | 127.6 | 97.4 | -71 | 29.9 | 0 | 0 | 0 | 113 | | |
| 344 | K | 36.1 | Very low | 36.1 | Very low | 135 Ų | 135 | 160.2 Ų | 160.2 | 59% | 0.587 | 78% | 0.777 | S | S | * | * | | | | 71.5 | 127.8 | 80.6 | -130.4 | -170.9 | 176 | -63.9 | 0 | 110 | E346 | K344-E346 VanDerWaalsContact NZ-CD 3.32Å; K344-E346 IonicContact NZ-OE1 2.65Å; K344-E346 PolarHBondContact NZ-OE1 3.15Å; K344-E346 IonicContact NZ-OE2 2.68Å; K344-E346 PolarHBondContact NZ-OE2 2.8Å; K344-E346 VanDerWaalsContact NZ-OE2 3.15Å |
| 345 | E | 32.3 | Very low | 36.8 | Very low | 141 Ų | 141 | 161.7 Ų | 161.7 | 66% | 0.659 | 78% | 0.784 | S | S | * | * | | | cis | -136 | 176.9 | 42 | -138.5 | 87.8 | 176.1 | 0 | 0 | 116.1 | | |
| 346 | E | 32.8 | Very low | 37.2 | Very low | 137 Ų | 137 | 160.2 Ų | 160.2 | 64% | 0.64 | 78% | 0.778 | S | S | * | * | | | trans | -47.1 | 164.9 | 170.5 | -68.7 | 92.2 | -97.8 | 0 | 0 | 114.6 | K344 | K344-E346 VanDerWaalsContact NZ-CD 3.32Å; K344-E346 IonicContact NZ-OE1 2.65Å; K344-E346 PolarHBondContact NZ-OE1 3.15Å; K344-E346 IonicContact NZ-OE2 2.68Å; K344-E346 PolarHBondContact NZ-OE2 2.8Å; K344-E346 VanDerWaalsContact NZ-OE2 3.15Å |
| 347 | Q | 34.1 | Very low | 37.6 | Very low | 179 Ų | 179 | 161.5 Ų | 161.5 | 84% | 0.836 | 78% | 0.78 | S | S | * | * | | | cis | -157 | 166.9 | 41.3 | -173.5 | 173 | -15.5 | 0 | 0 | 114 | | |
| 348 | E | 34.3 | Very low | 38.6 | Very low | 176 Ų | 176 | 156.4 Ų | 156.4 | 82% | 0.822 | 77% | 0.773 | S | S | * | * | | | trans | -51.2 | 152.9 | 166.7 | -65.4 | 163.2 | 127.2 | 0 | 0 | 112 | | |
| 349 | D | 31.4 | Very low | 39.6 | Very low | 160 Ų | 160 | 152.8 Ų | 152.8 | 86% | 0.856 | 77% | 0.765 | S | S | * | * | | | | -154.3 | 168.6 | 70 | -146.1 | -22.9 | 0 | 0 | 0 | 114.5 | | |
| 350 | S | 42.9 | Very low | 40.4 | Very low | 107 Ų | 107 | 152.5 Ų | 152.5 | 75% | 0.748 | 76% | 0.764 | S | S | * | * | | | trans | -102.7 | 129.9 | -173.5 | -61.6 | 0 | 0 | 0 | 0 | 113.6 | | |
| 351 | Q | 34.4 | Very low | 41.1 | Very low | 200 Ų | 200 | 150.5 Ų | 150.5 | 94% | 0.935 | 76% | 0.762 | S | S | * | * | | | trans | -156 | 138.9 | 147.4 | -120.8 | 169.7 | 38.8 | 0 | 0 | 113.6 | | |
| 352 | D | 38.1 | Very low | 42 | Very low | 138 Ų | 138 | 146.8 Ų | 146.8 | 74% | 0.738 | 76% | 0.76 | S | S | * | * | | | trans | -65 | 148.9 | 173.9 | -78 | -71.3 | 0 | 0 | 0 | 112.8 | | |
| 353 | F | 36.4 | Very low | 43 | Very low | 207 Ų | 207 | 143 Ų | 143 | 91% | 0.908 | 76% | 0.762 | S | S | * | * | | | | -171.7 | 144.7 | 107.5 | -92.1 | -62.5 | 0 | 0 | 0 | 110.9 | | |
| 354 | P | 52.4 | Low | 44.6 | Very low | 113 Ų | 113 | 146.6 Ų | 146.6 | 73% | 0.734 | 77% | 0.772 | S | S | * | * | | | trans | -95.1 | 136.3 | -170.8 | 35.2 | -31.9 | 0 | 0 | 0 | 113.3 | | |
| 355 | K | 44.8 | Very low | 45.9 | Very low | 216 Ų | 216 | 146.4 Ų | 146.4 | 94% | 0.939 | 78% | 0.784 | S | S | * | * | | | trans | -161.5 | 122.1 | 160.1 | -125.1 | 163.7 | -173.5 | 168 | 0 | 115.1 | | |
| 356 | G | 42.3 | Very low | 46.8 | Very low | 66 Ų | 66 | 143 Ų | 143 | 68% | 0.68 | 79% | 0.787 | S | S | * | * | | | trans | 62.6 | 87.6 | 152.6 | 0 | 0 | 0 | 0 | 0 | 117.2 | V358 | G356-V358 VanDerWaalsContact C-N 3.32Å; G356-V358 PolarHBondContact O-N 2.93Å |
| 357 | D | 44.3 | Very low | 47.7 | Very low | 151 Ų | 151 | 141.5 Ų | 141.5 | 81% | 0.807 | 78% | 0.783 | S | S | * | * | | | trans | -69.4 | 87 | 165.2 | -175.1 | 16.3 | 0 | 0 | 0 | 110.7 | V359 | D357-V359 PolarHBondContact O-N 2.96Å; D357-V359 WeakPolarHBondContact OD1-CG2 3.45Å |
| 358 | V | 53.3 | Low | 48.8 | Very low | 107 Ų | 107 | 137.1 Ų | 137.1 | 65% | 0.648 | 77% | 0.773 | S | S | * | * | | | trans | -91.9 | 85.9 | 174.9 | -177.9 | 0 | 0 | 0 | 0 | 108.5 | G356 F360 | G356-V358 VanDerWaalsContact C-N 3.32Å; G356-V358 PolarHBondContact O-N 2.93Å; V358-F360 HydrophobicContact CG1-CD2 4.13Å; V358-F360 HydrophobicContact CG1-CE2 3.88Å; V358-F360 WeakPolarHBondContact O-CD2 3.24Å; V358-F360 PolarHBondContact O-N 3.3Å |
| 359 | V | 58.8 | Low | 49.8 | Very low | 100 Ų | 100 | 134.5 Ų | 134.5 | 61% | 0.606 | 76% | 0.764 | S | S | * | * | | | trans | -64.2 | 97.2 | 175.3 | -177.8 | 0 | 0 | 0 | 0 | 110 | D357 L361 | D357-V359 PolarHBondContact O-N 2.96Å; D357-V359 WeakPolarHBondContact OD1-CG2 3.45Å; V359-L361 PolarHBondContact O-N 2.81Å |
| 360 | F | 49.9 | Very low | 50.9 | Low | 188 Ų | 188 | 132.5 Ų | 132.5 | 83% | 0.825 | 75% | 0.75 | S | S | * | * | | | trans | -68 | 93.4 | 169.4 | -85.3 | -90.6 | 0 | 0 | 0 | 110 | V358 S362 | V358-F360 HydrophobicContact CG1-CD2 4.13Å; V358-F360 HydrophobicContact CG1-CE2 3.88Å; V358-F360 WeakPolarHBondContact O-CD2 3.24Å; V358-F360 PolarHBondContact O-N 3.3Å; F360-S362 PolarHBondContact O-N 3.18Å |
| 361 | L | 56.2 | Low | 51.6 | Low | 160 Ų | 160 | 133.8 Ų | 133.8 | 84% | 0.838 | 75% | 0.753 | S | S | * | * | | | trans | -60.2 | 101.6 | 166.4 | -70.8 | 174.3 | 0 | 0 | 0 | 109 | V359 A363 | V359-L361 PolarHBondContact O-N 2.81Å; L361-A363 PolarHBondContact O-N 3.43Å |
| 362 | S | 55.9 | Low | 52.7 | Low | 107 Ų | 107 | 128.3 Ų | 128.3 | 75% | 0.748 | 74% | 0.742 | S | S | * | * | | | trans | -63.7 | 131.8 | 179.8 | 51.1 | 0 | 0 | 0 | 0 | 110.6 | F360 K364 | F360-S362 PolarHBondContact O-N 3.18Å; S362-K364 PolarHBondContact O-N 3.47Å |
| 363 | A | 59.8 | Low | 53.8 | Low | 99 Ų | 99 | 126.1 Ų | 126.1 | 82% | 0.818 | 73% | 0.729 | S | S | * | * | | | trans | -65.3 | 107.8 | -178.1 | 0 | 0 | 0 | 0 | 0 | 110.2 | L361 | L361-A363 PolarHBondContact O-N 3.43Š|
| 364 | K | 67.1 | Low | 55.5 | Low | 191 Ų | 191 | 121.6 Ų | 121.6 | 83% | 0.83 | 71% | 0.714 | S | S | * | * | P | Polyproline II helix | trans | -60.8 | 128.5 | 167.8 | -65.5 | -179.5 | -179.7 | 178.8 | 0 | 107.9 | S362 G366 | S362-K364 PolarHBondContact O-N 3.47Å; K364-G366 PolarHBondContact O-N 2.84Å |
| 365 | P | 62.2 | Low | 56.9 | Low | 131 Ų | 131 | 123 Ų | 123 | 85% | 0.851 | 71% | 0.711 | S | S | * | * | P | Polyproline II helix | trans | -61.3 | 121.9 | 175.5 | 25.3 | -32.6 | 0 | 0 | 0 | 109 | | |
| 366 | G | 51.6 | Low | 58.4 | Low | 69 Ų | 69 | 120.3 Ų | 120.3 | 71% | 0.711 | 70% | 0.702 | S | S | * | * | P | Polyproline II helix | trans | -68.8 | 151.3 | -179.7 | 0 | 0 | 0 | 0 | 0 | 112.2 | K364 S368 | K364-G366 PolarHBondContact O-N 2.84Å; G366-S368 PolarHBondContact O-N 3.47Å; G366-S368 VanDerWaalsContact O-N 3.12Å |
| 367 | N | 52.5 | Low | 60.3 | Low | 106 Ų | 106 | 125 Ų | 125 | 57% | 0.567 | 70% | 0.699 | S | S | * | * | | | trans | -35.9 | 108.3 | -179.5 | -169.6 | 23.8 | 0 | 0 | 0 | 113.9 | D369 E370 | N367-D369 VanDerWaalsContact C-N 3.31Å; N367-E370 PolarHBondContact ND2-OE1 2.89Å |
| 368 | S | 57.2 | Low | 62.1 | Low | 88 Ų | 88 | 127.3 Ų | 127.3 | 62% | 0.615 | 70% | 0.697 | S | S | * | * | | | trans | -77.7 | -16.3 | 180 | 41.4 | 0 | 0 | 0 | 0 | 114 | G366 E370 | G366-S368 PolarHBondContact O-N 3.47Å; G366-S368 VanDerWaalsContact O-N 3.12Å; S368-E370 PolarHBondContact O-N 3.25Å |
| 369 | D | 54.8 | Low | 63.6 | Low | 121 Ų | 121 | 128.4 Ų | 128.4 | 65% | 0.647 | 69% | 0.692 | S | S | * | * | G | 310 helix | trans | -90.5 | -7.3 | -155 | -59.3 | 0.3 | 0 | 0 | 0 | 112.6 | N367 V371 | N367-D369 VanDerWaalsContact C-N 3.31Å; D369-V371 PolarHBondContact O-N 2.89Å |
| 370 | E | 53.6 | Low | 64.7 | Low | 117 Ų | 117 | 126.2 Ų | 126.2 | 55% | 0.547 | 69% | 0.685 | S | S | . | * | G | 310 helix | trans | -72.9 | -10.8 | 175.4 | -72.8 | 176 | -129.4 | 0 | 0 | 113.9 | N367 S368 A372 I373 | N367-E370 PolarHBondContact ND2-OE1 2.89Å; S368-E370 PolarHBondContact O-N 3.25Å; E370-A372 PolarHBondContact O-N 2.94Å; E370-I373 HydrophobicContact CB-CD1 3.79Å; E370-I373 HydrophobicContact CB-CG1 4.45Å; E370-I373 HydrophobicContact CG-CD1 4.02Å; E370-I373 WeakPolarHBondContact O-CB 3.41Å; E370-I373 WeakPolarHBondContact O-CD1 3.44Å; E370-I373 WeakPolarHBondContact O-CG1 3.3Å; E370-I373 PolarHBondContact O-N 3.14Å |
| 371 | V | 57.4 | Low | 66.5 | Low | 134 Ų | 134 | 121 Ų | 121 | 81% | 0.812 | 67% | 0.665 | S | S | * | * | G | 310 helix | trans | -69.5 | -16 | 177.5 | -172.6 | 0 | 0 | 0 | 0 | 112 | D369 I373 | D369-V371 PolarHBondContact O-N 2.89Å; V371-I373 VanDerWaalsContact C-N 3.33Å |
| 372 | A | 58 | Low | 68 | Low | 85 Ų | 85 | 118 Ų | 118 | 70% | 0.702 | 65% | 0.647 | S | S | * | * | G | 310 helix | trans | -83.2 | 1.2 | 171.5 | 0 | 0 | 0 | 0 | 0 | 114.3 | E370 N374 | E370-A372 PolarHBondContact O-N 2.94Å; A372-N374 PolarHBondContact O-N 2.99Å; A372-N374 VanDerWaalsContact O-N 3.09Å |
| 373 | I | 61.8 | Low | 69.3 | Low | 92 Ų | 92 | 118.9 Ų | 118.9 | 47% | 0.472 | 64% | 0.641 | S | S | . | * | S | Bend | trans | -60.4 | 116.4 | 176.7 | -70.2 | 168.8 | 0 | 0 | 0 | 110.1 | E370 V371 Q375 | E370-I373 HydrophobicContact CB-CD1 3.79Å; E370-I373 HydrophobicContact CB-CG1 4.45Å; E370-I373 HydrophobicContact CG-CD1 4.02Å; E370-I373 WeakPolarHBondContact O-CB 3.41Å; E370-I373 WeakPolarHBondContact O-CD1 3.44Å; E370-I373 WeakPolarHBondContact O-CG1 3.3Å; E370-I373 PolarHBondContact O-N 3.14Å; V371-I373 VanDerWaalsContact C-N 3.33Å; I373-Q375 PolarHBondContact O-N 2.77Å; I373-Q375 VanDerWaalsContact O-N 3.08Å |
| 374 | N | 72.1 | Confident | 70.4 | Confident | 113 Ų | 113 | 120 Ų | 120 | 60% | 0.604 | 63% | 0.629 | S | S | * | * | | | trans | -30.4 | 108.2 | -176.7 | -63.8 | -6.6 | 0 | 0 | 0 | 113.4 | A372 E376 R377 R378 | A372-N374 PolarHBondContact O-N 2.99Å; A372-N374 VanDerWaalsContact O-N 3.09Å; N374-E376 PolarHBondContact O-N 2.91Å; N374-E376 VanDerWaalsContact O-N 3.1Å; N374-R377 HydrophobicContact CB-CB 4.04Å; N374-R377 WeakPolarHBondContact O-CA 3.32Å; N374-R377 WeakPolarHBondContact O-CB 3.48Å; N374-R377 PolarHBondContact O-N 3.05Å; N374-R378 PolarHBondContact O-N 3.19Å; N374-R378 VanDerWaalsContact O-N 3.14Å |
| 375 | Q | 80.8 | Confident | 71.1 | Confident | 141 Ų | 141 | 116.1 Ų | 116.1 | 66% | 0.659 | 62% | 0.616 | S | S | * | * | H | α-helix | trans | -57.1 | -30.5 | -179.8 | -62 | -174.8 | 13.6 | 0 | 0 | 112.2 | I373 R378 K379 | I373-Q375 PolarHBondContact O-N 2.77Å; I373-Q375 VanDerWaalsContact O-N 3.08Å; Q375-R378 PolarHBondContact O-N 3.32Å; Q375-K379 WeakPolarHBondContact O-CB 3.44Å; Q375-K379 VanDerWaalsContact O-CG 3.3Å; Q375-K379 WeakPolarHBondContact O-CG 3.33Å; Q375-K379 PolarHBondContact O-N 3.19Å |
| 376 | E | 77.2 | Confident | 72.1 | Confident | 161 Ų | 161 | 114.6 Ų | 114.6 | 75% | 0.752 | 60% | 0.598 | S | S | * | * | H | α-helix | trans | -64.8 | -42.1 | 174.4 | -63 | 177.7 | 168.1 | 0 | 0 | 112 | N374 R378 K379 A380 | N374-E376 PolarHBondContact O-N 2.91Å; N374-E376 VanDerWaalsContact O-N 3.1Å; E376-R378 VanDerWaalsContact C-N 3.32Å; E376-R378 PolarHBondContact O-N 3.19Å; E376-K379 PolarHBondContact O-N 2.94Å; E376-A380 WeakPolarHBondContact O-CB 3.42Å; E376-A380 PolarHBondContact O-N 2.89Å |
| 377 | R | 81.1 | Confident | 73.5 | Confident | 165 Ų | 165 | 118.4 Ų | 118.4 | 62% | 0.623 | 60% | 0.597 | S | S | * | * | H | α-helix | trans | -63.8 | -39.2 | 173.2 | -171.7 | -177.7 | -179.1 | -155.5 | -0.4 | 111.1 | N374 A380 L381 | N374-R377 HydrophobicContact CB-CB 4.04Å; N374-R377 WeakPolarHBondContact O-CA 3.32Å; N374-R377 WeakPolarHBondContact O-CB 3.48Å; N374-R377 PolarHBondContact O-N 3.05Å; R377-A380 PolarHBondContact O-N 3.14Å; R377-L381 HydrophobicContact CG-CD1 4.17Å; R377-L381 WeakPolarHBondContact O-CB 3.48Å; R377-L381 WeakPolarHBondContact O-CG 3.18Å; R377-L381 PolarHBondContact O-N 2.88Å |
| 378 | R | 82.2 | Confident | 74.3 | Confident | 199 Ų | 199 | 117.6 Ų | 117.6 | 75% | 0.751 | 61% | 0.605 | S | S | * | * | H | α-helix | trans | -66.4 | -38.6 | 176 | -169.5 | 173.4 | -176.9 | 163.6 | 2.6 | 112.2 | N374 Q375 E376 Q382 | N374-R378 PolarHBondContact O-N 3.19Å; N374-R378 VanDerWaalsContact O-N 3.14Å; Q375-R378 PolarHBondContact O-N 3.32Å; E376-R378 VanDerWaalsContact C-N 3.32Å; E376-R378 PolarHBondContact O-N 3.19Å; R378-Q382 VanDerWaalsContact O-CB 3.32Å; R378-Q382 WeakPolarHBondContact O-CB 3.41Å; R378-Q382 PolarHBondContact O-N 3.05Å |
| 379 | K | 84.8 | Confident | 74.6 | Confident | 129 Ų | 129 | 117.4 Ų | 117.4 | 56% | 0.561 | 60% | 0.603 | S | S | * | * | H | α-helix | trans | -69.5 | -40.7 | 174.3 | -73 | 168.7 | -176.9 | 173.1 | 0 | 112.3 | Q375 E376 Q382 M383 | Q375-K379 WeakPolarHBondContact O-CB 3.44Å; Q375-K379 VanDerWaalsContact O-CG 3.3Å; Q375-K379 WeakPolarHBondContact O-CG 3.33Å; Q375-K379 PolarHBondContact O-N 3.19Å; E376-K379 PolarHBondContact O-N 2.94Å; K379-Q382 PolarHBondContact O-N 3.22Å; K379-M383 WeakPolarHBondContact O-CG 3.28Å; K379-M383 PolarHBondContact O-N 3.01Å |
| 380 | A | 82.6 | Confident | 75 | Confident | 55 Ų | 55 | 118.2 Ų | 118.2 | 46% | 0.455 | 60% | 0.603 | S | S | . | * | H | α-helix | trans | -62.2 | -48.3 | 176.3 | 0 | 0 | 0 | 0 | 0 | 111.4 | E376 R377 Q382 M383 E384 | E376-A380 WeakPolarHBondContact O-CB 3.42Å; E376-A380 PolarHBondContact O-N 2.89Å; R377-A380 PolarHBondContact O-N 3.14Å; A380-Q382 VanDerWaalsContact C-N 3.31Å; A380-Q382 PolarHBondContact O-N 2.85Å; A380-M383 PolarHBondContact O-N 2.87Å; A380-E384 WeakPolarHBondContact O-CB 3.41Å; A380-E384 PolarHBondContact O-N 2.71Å |
| 381 | L | 86.9 | Confident | 75 | Confident | 77 Ų | 77 | 117.7 Ų | 117.7 | 40% | 0.403 | 61% | 0.61 | S | S | . | * | H | α-helix | trans | -62.5 | -37.3 | 174.5 | -70.1 | 167.1 | 0 | 0 | 0 | 112.2 | R377 I385 | R377-L381 HydrophobicContact CG-CD1 4.17Å; R377-L381 WeakPolarHBondContact O-CB 3.48Å; R377-L381 WeakPolarHBondContact O-CG 3.18Å; R377-L381 PolarHBondContact O-N 2.88Å; L381-I385 WeakPolarHBondContact O-CB 3.46Å; L381-I385 WeakPolarHBondContact O-CD1 3.27Å; L381-I385 WeakPolarHBondContact O-CG1 3.36Å; L381-I385 PolarHBondContact O-N 3.39Å |
| 382 | Q | 88.6 | Confident | 75 | Confident | 98 Ų | 98 | 118.8 Ų | 118.8 | 46% | 0.458 | 61% | 0.612 | S | S | . | * | H | α-helix | trans | -64.3 | -42.4 | 174.4 | -175.4 | 65.4 | 36.3 | 0 | 0 | 111.6 | R378 K379 A380 I385 E386 | R378-Q382 VanDerWaalsContact O-CB 3.32Å; R378-Q382 WeakPolarHBondContact O-CB 3.41Å; R378-Q382 PolarHBondContact O-N 3.05Å; K379-Q382 PolarHBondContact O-N 3.22Å; A380-Q382 VanDerWaalsContact C-N 3.31Å; A380-Q382 PolarHBondContact O-N 2.85Å; Q382-I385 PolarHBondContact O-N 3.3Å; Q382-E386 WeakPolarHBondContact CG-OE1 3.48Å; Q382-E386 PolarHBondContact NE2-OE1 3.18Å; Q382-E386 WeakPolarHBondContact O-CB 3.46Å; Q382-E386 WeakPolarHBondContact O-CG 3.35Å; Q382-E386 PolarHBondContact O-N 2.89Å |
| 383 | M | 83.2 | Confident | 75.1 | Confident | 126 Ų | 126 | 122.2 Ų | 122.2 | 62% | 0.621 | 61% | 0.611 | S | S | * | * | H | α-helix | trans | -66.9 | -41.9 | 175.6 | -75 | 177.2 | 59.3 | 0 | 0 | 112.3 | K379 A380 I385 E386 E387 | K379-M383 WeakPolarHBondContact O-CG 3.28Å; K379-M383 PolarHBondContact O-N 3.01Å; A380-M383 PolarHBondContact O-N 2.87Å; M383-I385 VanDerWaalsContact C-N 3.31Å; M383-I385 PolarHBondContact O-N 3.34Å; M383-E386 PolarHBondContact O-N 2.79Å; M383-E387 VanDerWaalsContact O-CB 3.27Å; M383-E387 WeakPolarHBondContact O-CB 3.17Å; M383-E387 PolarHBondContact O-N 2.89Å |
| 384 | E | 82.6 | Confident | 74.8 | Confident | 123 Ų | 123 | 123.7 Ų | 123.7 | 58% | 0.575 | 63% | 0.626 | S | S | * | * | H | α-helix | trans | -61 | -40.1 | 175.5 | -175.4 | -179.4 | -178.1 | 0 | 0 | 111.2 | A380 A388 | A380-E384 WeakPolarHBondContact O-CB 3.41Å; A380-E384 PolarHBondContact O-N 2.71Å; E384-A388 WeakPolarHBondContact O-CB 3.42Å; E384-A388 PolarHBondContact O-N 2.98Å |
| 385 | I | 82.3 | Confident | 74.1 | Confident | 108 Ų | 108 | 122.5 Ų | 122.5 | 55% | 0.554 | 63% | 0.632 | S | S | * | * | H | α-helix | trans | -67.5 | -42.7 | 172.9 | -69.7 | 164.7 | 0 | 0 | 0 | 111.3 | L381 Q382 M383 S389 | L381-I385 WeakPolarHBondContact O-CB 3.46Å; L381-I385 WeakPolarHBondContact O-CD1 3.27Å; L381-I385 WeakPolarHBondContact O-CG1 3.36Å; L381-I385 PolarHBondContact O-N 3.39Å; Q382-I385 PolarHBondContact O-N 3.3Å; M383-I385 VanDerWaalsContact C-N 3.31Å; M383-I385 PolarHBondContact O-N 3.34Å; I385-S389 WeakPolarHBondContact O-CB 3.4Å; I385-S389 PolarHBondContact O-N 2.84Å; I385-S389 PolarHBondContact O-OG 3.42Å |
| 386 | E | 82.6 | Confident | 72.9 | Confident | 100 Ų | 100 | 120.4 Ų | 120.4 | 47% | 0.467 | 63% | 0.628 | S | S | . | * | H | α-helix | trans | -66.5 | -41.8 | 179.2 | -78.7 | 171.3 | -160.3 | 0 | 0 | 111.9 | Q382 M383 S389 Q390 | Q382-E386 WeakPolarHBondContact CG-OE1 3.48Å; Q382-E386 PolarHBondContact NE2-OE1 3.18Å; Q382-E386 WeakPolarHBondContact O-CB 3.46Å; Q382-E386 WeakPolarHBondContact O-CG 3.35Å; Q382-E386 PolarHBondContact O-N 2.89Å; M383-E386 PolarHBondContact O-N 2.79Å; E386-S389 WeakPolarHBondContact CA-OG 3.19Å; E386-S389 PolarHBondContact O-N 3.03Å; E386-S389 PolarHBondContact O-OG 3.28Å; E386-Q390 WeakPolarHBondContact O-CG 3.38Å; E386-Q390 PolarHBondContact O-N 3.2Å |
| 387 | E | 81.1 | Confident | 72.2 | Confident | 149 Ų | 149 | 116.1 Ų | 116.1 | 70% | 0.696 | 61% | 0.61 | S | S | * | * | H | α-helix | trans | -63.1 | -51.7 | 173.9 | -173.2 | 168.3 | -166.4 | 0 | 0 | 111.2 | M383 S389 Q390 | M383-E387 VanDerWaalsContact O-CB 3.27Å; M383-E387 WeakPolarHBondContact O-CB 3.17Å; M383-E387 PolarHBondContact O-N 2.89Å; E387-S389 PolarHBondContact O-N 3.45Å; E387-Q390 WeakPolarHBondContact O-CB 3.41Å; E387-Q390 PolarHBondContact O-N 3.45Å |
| 388 | A | 68.8 | Low | 71.5 | Confident | 88 Ų | 88 | 110.5 Ų | 110.5 | 73% | 0.727 | 60% | 0.604 | S | S | * | * | H | α-helix | trans | -66.3 | -16.7 | 175.8 | 0 | 0 | 0 | 0 | 0 | 114 | E384 | E384-A388 WeakPolarHBondContact O-CB 3.42Å; E384-A388 PolarHBondContact O-N 2.98Å |
| 389 | S | 64.8 | Low | 71.1 | Confident | 84 Ų | 84 | 109 Ų | 109 | 59% | 0.587 | 61% | 0.606 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -84.6 | -12.2 | 173.3 | 79.9 | 0 | 0 | 0 | 0 | 113.9 | I385 E386 E387 P391 | I385-S389 WeakPolarHBondContact O-CB 3.4Å; I385-S389 PolarHBondContact O-N 2.84Å; I385-S389 PolarHBondContact O-OG 3.42Å; E386-S389 WeakPolarHBondContact CA-OG 3.19Å; E386-S389 PolarHBondContact O-N 3.03Å; E386-S389 PolarHBondContact O-OG 3.28Å; E387-S389 PolarHBondContact O-N 3.45Å; S389-P391 WeakPolarHBondContact O-CD 3.32Å |
| 390 | Q | 63.6 | Low | 70.4 | Confident | 138 Ų | 138 | 108.1 Ų | 108.1 | 65% | 0.645 | 60% | 0.599 | S | S | * | * | S | Bend | trans | -71.5 | 126.2 | 177.9 | -61.3 | -139.4 | 24.3 | 0 | 0 | 110.3 | E386 E387 D392 | E386-Q390 WeakPolarHBondContact O-CG 3.38Å; E386-Q390 PolarHBondContact O-N 3.2Å; E387-Q390 WeakPolarHBondContact O-CB 3.41Å; E387-Q390 PolarHBondContact O-N 3.45Å; Q390-D392 VanDerWaalsContact C-N 3.31Å; Q390-D392 PolarHBondContact O-N 3.47Å |
| 391 | P | 52.7 | Low | 69.4 | Low | 106 Ų | 106 | 107.6 Ų | 107.6 | 69% | 0.688 | 59% | 0.592 | S | S | * | * | | | trans | -78.9 | 81.9 | 179.2 | 32.4 | -34.5 | 0 | 0 | 0 | 110.4 | S389 K393 | S389-P391 WeakPolarHBondContact O-CD 3.32Å; P391-K393 PolarHBondContact O-N 2.86Å |
| 392 | D | 56.6 | Low | 68.7 | Low | 158 Ų | 158 | 109.4 Ų | 109.4 | 85% | 0.845 | 61% | 0.606 | S | S | * | * | S | Bend | trans | -51.7 | -13 | 170.8 | -92.7 | -10.3 | 0 | 0 | 0 | 114.4 | Q390 | Q390-D392 VanDerWaalsContact C-N 3.31Å; Q390-D392 PolarHBondContact O-N 3.47Å |
| 393 | K | 60 | Low | 68 | Low | 157 Ų | 157 | 106.2 Ų | 106.2 | 68% | 0.683 | 60% | 0.597 | S | S | * | * | S | Bend | trans | -129.4 | 136.9 | 179.6 | -68 | 160.1 | -169 | 163.2 | 0 | 108 | P391 A395 | P391-K393 PolarHBondContact O-N 2.86Å; K393-A395 PolarHBondContact O-N 2.99Å |
| 394 | P | 56.3 | Low | 67.8 | Low | 122 Ų | 122 | 109.2 Ų | 109.2 | 79% | 0.792 | 61% | 0.609 | S | S | * | * | S | Bend | trans | -54.7 | 129.8 | -179.6 | 24.1 | -34.2 | 0 | 0 | 0 | 109.5 | V396 | P394-V396 PolarHBondContact O-N 2.8Š|
| 395 | A | 57.5 | Low | 67.8 | Low | 88 Ų | 88 | 105.8 Ų | 105.8 | 73% | 0.727 | 59% | 0.593 | S | S | * | * | | | trans | -44.6 | 106.7 | -163.3 | 0 | 0 | 0 | 0 | 0 | 112.6 | K393 L397 | K393-A395 PolarHBondContact O-N 2.99Å; A395-L397 PolarHBondContact O-N 3.34Å |
| 396 | V | 56.5 | Low | 68 | Low | 97 Ų | 97 | 108.8 Ų | 108.8 | 59% | 0.588 | 61% | 0.61 | S | S | * | * | | | trans | -66.9 | 98.2 | -173.1 | -177.2 | 0 | 0 | 0 | 0 | 108.3 | P394 G398 | P394-V396 PolarHBondContact O-N 2.8Å; V396-G398 PolarHBondContact O-N 3.14Å |
| 397 | L | 61.5 | Low | 68.3 | Low | 71 Ų | 71 | 106.4 Ų | 106.4 | 37% | 0.372 | 60% | 0.604 | S | S | . | * | | | trans | -74.7 | 65.3 | -172.3 | -170.5 | 59.4 | 0 | 0 | 0 | 111.7 | A395 L415 F421 | A395-L397 PolarHBondContact O-N 3.34Å; L397-L415 HydrophobicContact CD2-CD1 4.36Å; L397-L415 HydrophobicContact CD2-CD2 4.28Å; L397-F421 HydrophobicContact CD2-CD2 3.84Å; L397-F421 HydrophobicContact CD2-CE2 4.33Å |
| 398 | G | 67.3 | Low | 68.5 | Low | 47 Ų | 47 | 103.1 Ų | 103.1 | 49% | 0.485 | 60% | 0.598 | S | S | . | * | G | 310 helix | trans | 61.6 | -161.1 | -175.3 | 0 | 0 | 0 | 0 | 0 | 113.8 | V396 W400 S401 | V396-G398 PolarHBondContact O-N 3.14Å; G398-W400 PolarHBondContact O-N 3.46Å; G398-S401 PolarHBondContact O-N 3.28Å; G398-S401 VanDerWaalsContact O-N 3.14Å |
| 399 | Q | 72.8 | Confident | 69.4 | Low | 169 Ų | 169 | 104.4 Ų | 104.4 | 79% | 0.79 | 59% | 0.588 | S | S | * | * | G | 310 helix | trans | -60 | -10.3 | 178.8 | -66.3 | 166.4 | -38.3 | 0 | 0 | 114 | T402 | Q399-T402 PolarHBondContact O-OG1 3.24Š|
| 400 | W | 69.4 | Low | 70.6 | Confident | 109 Ų | 109 | 104.9 Ų | 104.9 | 41% | 0.413 | 58% | 0.581 | S | S | . | * | G | 310 helix | trans | -88.1 | -14.4 | 180 | -53.1 | 116.7 | 0 | 0 | 0 | 113.6 | G398 T402 A403 F414 L415 M418 | G398-W400 PolarHBondContact O-N 3.46Å; W400-T402 VanDerWaalsContact C-N 3.29Å; W400-T402 PolarHBondContact O-N 2.91Å; W400-A403 PolarHBondContact O-N 2.91Å; W400-F414 HydrophobicContact CB-CE1 4.18Å; W400-F414 HydrophobicContact CD2-CE1 4.09Å; W400-F414 HydrophobicContact CD2-CZ 4.31Å; W400-F414 AromaticContact CE3-CE1 3.59Å; W400-F414 HydrophobicContact CE3-CE1 3.59Å; W400-F414 AromaticContact CE3-CZ 3.5Å; W400-F414 HydrophobicContact CE3-CZ 3.5Å; W400-F414 HydrophobicContact CG-CE1 4.35Å; W400-F414 HydrophobicContact CZ3-CE1 4.35Å; W400-F414 AromaticContact CZ3-CZ 3.79Å; W400-F414 HydrophobicContact CZ3-CZ 3.79Å; W400-L415 HydrophobicContact CB-CD2 3.71Å; W400-M418 HydrophobicContact CH2-CE 3.74Å; W400-M418 HydrophobicContact CZ2-CE 3.58Å; W400-M418 HydrophobicContact CZ3-CE 4.41Å |
| 401 | S | 63.2 | Low | 71.8 | Confident | 45 Ų | 45 | 101.5 Ų | 101.5 | 32% | 0.315 | 57% | 0.566 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -79.1 | -10.5 | -179.4 | -169.2 | 0 | 0 | 0 | 0 | 114 | G398 | G398-S401 PolarHBondContact O-N 3.28Å; G398-S401 VanDerWaalsContact O-N 3.14Å |
| 402 | T | 70.9 | Confident | 73.3 | Confident | 114 Ų | 114 | 101.6 Ų | 101.6 | 70% | 0.699 | 56% | 0.557 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -95.2 | -8.1 | 174.3 | 47 | 0 | 0 | 0 | 0 | 113.2 | Q399 W400 Q404 | Q399-T402 PolarHBondContact O-OG1 3.24Å; W400-T402 VanDerWaalsContact C-N 3.29Å; W400-T402 PolarHBondContact O-N 2.91Å; T402-Q404 PolarHBondContact O-N 3.16Å |
| 403 | A | 73.9 | Confident | 74.8 | Confident | 32 Ų | 32 | 100 Ų | 100 | 26% | 0.264 | 54% | 0.543 | S | S | . | . | | | trans | -69.9 | 116.5 | 175.1 | 0 | 0 | 0 | 0 | 0 | 110 | W400 F405 | W400-A403 PolarHBondContact O-N 2.91Å; A403-F405 HydrophobicContact CB-CD2 4.43Å; A403-F405 HydrophobicContact CB-CE2 3.55Å; A403-F405 HydrophobicContact CB-CZ 3.78Å; A403-F405 VanDerWaalsContact O-CD2 3.23Å; A403-F405 WeakPolarHBondContact O-CD2 3.47Å; A403-F405 WeakPolarHBondContact O-CE2 3.32Å |
| 404 | Q | 80.1 | Confident | 76.1 | Confident | 189 Ų | 189 | 94.9 Ų | 94.9 | 88% | 0.883 | 52% | 0.52 | S | S | * | . | | | trans | -75.5 | 139.5 | 173.4 | -68.6 | -170.6 | -25 | 0 | 0 | 110.3 | T402 | T402-Q404 PolarHBondContact O-N 3.16Š|
| 405 | F | 83.3 | Confident | 77.5 | Confident | 51 Ų | 51 | 90 Ų | 90 | 22% | 0.224 | 49% | 0.487 | C | S | . | . | | | trans | -139.7 | 134.3 | 174.9 | -60.6 | -82.9 | 0 | 0 | 0 | 108.6 | A403 S407 Q410 Q411 F414 | A403-F405 HydrophobicContact CB-CD2 4.43Å; A403-F405 HydrophobicContact CB-CE2 3.55Å; A403-F405 HydrophobicContact CB-CZ 3.78Å; A403-F405 VanDerWaalsContact O-CD2 3.23Å; A403-F405 WeakPolarHBondContact O-CD2 3.47Å; A403-F405 WeakPolarHBondContact O-CE2 3.32Å; F405-S407 PolarHBondContact O-N 3.37Å; F405-S407 VanDerWaalsContact O-N 3.1Å; F405-Q410 HydrophobicContact CD1-CG 3.83Å; F405-Q410 HydrophobicContact CE1-CG 4.48Å; F405-Q411 HydrophobicContact CB-CB 4.16Å; F405-Q411 HydrophobicContact CD2-CB 3.57Å; F405-Q411 HydrophobicContact CD2-CG 3.65Å; F405-Q411 HydrophobicContact CE2-CB 4.24Å; F405-Q411 HydrophobicContact CE2-CG 4.03Å; F405-Q411 HydrophobicContact CG-CB 4.04Å; F405-F414 HydrophobicContact CE1-CB 4.02Å; F405-F414 HydrophobicContact CE1-CD1 4.37Å; F405-F414 HydrophobicContact CE1-CD2 4.16Å; F405-F414 AromaticContact CE1-CG 3.93Å; F405-F414 HydrophobicContact CE1-CG 3.93Å; F405-F414 HydrophobicContact CE2-CB 4.42Å; F405-F414 AromaticContact CE2-CD1 3.94Å; F405-F414 HydrophobicContact CE2-CD1 3.94Å; F405-F414 HydrophobicContact CE2-CG 4.26Å; F405-F414 HydrophobicContact CZ-CB 3.75Å; F405-F414 AromaticContact CZ-CD1 3.4Å; F405-F414 HydrophobicContact CZ-CD1 3.4Å; F405-F414 AromaticContact CZ-CD2 3.91Å; F405-F414 HydrophobicContact CZ-CD2 3.91Å; F405-F414 AromaticContact CZ-CE1 3.9Å; F405-F414 HydrophobicContact CZ-CE1 3.9Å; F405-F414 HydrophobicContact CZ-CE2 4.37Å; F405-F414 AromaticContact CZ-CG 3.39Å; F405-F414 HydrophobicContact CZ-CG 3.39Å; F405-F414 HydrophobicContact CZ-CZ 4.35Å |
| 406 | D | 84.9 | Confident | 78.9 | Confident | 170 Ų | 170 | 91.1 Ų | 91.1 | 91% | 0.909 | 47% | 0.473 | S | S | * | . | S | Bend | trans | -67.5 | -11.9 | 179.4 | -42.9 | -74.2 | 0 | 0 | 0 | 112.8 | | |
| 407 | S | 90.3 | Very high | 80.4 | Confident | 51 Ų | 51 | 93.3 Ų | 93.3 | 36% | 0.357 | 48% | 0.481 | S | S | . | . | | | trans | -134.8 | 127.8 | 176 | -175.4 | 0 | 0 | 0 | 0 | 112.1 | F405 Q409 Q410 Q411 | F405-S407 PolarHBondContact O-N 3.37Å; F405-S407 VanDerWaalsContact O-N 3.1Å; S407-Q409 PolarHBondContact O-N 2.75Å; S407-Q409 PolarHBondContact OG-N 3.08Å; S407-Q410 WeakPolarHBondContact O-CA 3.42Å; S407-Q410 WeakPolarHBondContact O-CB 3.3Å; S407-Q410 PolarHBondContact O-N 2.89Å; S407-Q411 PolarHBondContact O-N 3.1Å |
| 408 | S | 84.6 | Confident | 81.5 | Confident | 80 Ų | 80 | 94 Ų | 94 | 56% | 0.559 | 48% | 0.483 | S | S | * | . | H | α-helix | trans | -58.9 | -26.5 | 169.4 | 59.8 | 0 | 0 | 0 | 0 | 112.7 | Q412 | S408-Q412 WeakPolarHBondContact O-CB 3.49Å; S408-Q412 VanDerWaalsContact O-CG 3.3Å; S408-Q412 WeakPolarHBondContact O-CG 3.39Å; S408-Q412 PolarHBondContact O-N 3.09Å |
| 409 | Q | 88 | Confident | 82 | Confident | 114 Ų | 114 | 94 Ų | 94 | 53% | 0.533 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -70.5 | -35.4 | 173.1 | -160.4 | -160.2 | 76.3 | 0 | 0 | 111.6 | S407 K413 | S407-Q409 PolarHBondContact O-N 2.75Å; S407-Q409 PolarHBondContact OG-N 3.08Å; Q409-K413 WeakPolarHBondContact O-CB 3.34Å; Q409-K413 WeakPolarHBondContact O-CD 3.35Å; Q409-K413 VanDerWaalsContact O-CG 3.24Å; Q409-K413 WeakPolarHBondContact O-CG 3.32Å; Q409-K413 PolarHBondContact O-N 3.07Å; Q409-K413 VanDerWaalsContact OE1-CE 3.31Å |
| 410 | Q | 89.6 | Confident | 82 | Confident | 94 Ų | 94 | 87.9 Ų | 87.9 | 44% | 0.439 | 47% | 0.465 | S | S | . | . | H | α-helix | trans | -69.8 | -43.7 | 173.9 | -175.7 | 176 | -14.3 | 0 | 0 | 110.7 | F405 S407 Q412 K413 F414 | F405-Q410 HydrophobicContact CD1-CG 3.83Å; F405-Q410 HydrophobicContact CE1-CG 4.48Å; S407-Q410 WeakPolarHBondContact O-CA 3.42Å; S407-Q410 WeakPolarHBondContact O-CB 3.3Å; S407-Q410 PolarHBondContact O-N 2.89Å; Q410-Q412 PolarHBondContact O-N 3.23Å; Q410-K413 WeakPolarHBondContact O-CB 3.49Å; Q410-K413 PolarHBondContact O-N 3.34Å; Q410-F414 WeakPolarHBondContact O-CB 3.18Å; Q410-F414 PolarHBondContact O-N 3.03Å |
| 411 | Q | 87.9 | Confident | 81.9 | Confident | 68 Ų | 68 | 87.4 Ų | 87.4 | 32% | 0.318 | 47% | 0.466 | S | S | . | . | H | α-helix | trans | -55.6 | -47.5 | 171.5 | -171.2 | -177 | 37.7 | 0 | 0 | 111.8 | F405 S407 K413 F414 L415 | F405-Q411 HydrophobicContact CB-CB 4.16Å; F405-Q411 HydrophobicContact CD2-CB 3.57Å; F405-Q411 HydrophobicContact CD2-CG 3.65Å; F405-Q411 HydrophobicContact CE2-CB 4.24Å; F405-Q411 HydrophobicContact CE2-CG 4.03Å; F405-Q411 HydrophobicContact CG-CB 4.04Å; S407-Q411 PolarHBondContact O-N 3.1Å; Q411-K413 PolarHBondContact O-N 2.78Å; Q411-F414 PolarHBondContact O-N 3.01Å; Q411-L415 HydrophobicContact CG-CD1 4.03Å; Q411-L415 HydrophobicContact CG-CG 4.47Å; Q411-L415 WeakPolarHBondContact O-CB 3.34Å; Q411-L415 WeakPolarHBondContact O-CG 3.41Å; Q411-L415 PolarHBondContact O-N 3.15Å |
| 412 | Q | 83.9 | Confident | 82.3 | Confident | 108 Ų | 108 | 92.2 Ų | 92.2 | 51% | 0.505 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -67.5 | -32.7 | 177.3 | -73.6 | 180 | 18.4 | 0 | 0 | 113.7 | S408 Q410 R416 | S408-Q412 WeakPolarHBondContact O-CB 3.49Å; S408-Q412 VanDerWaalsContact O-CG 3.3Å; S408-Q412 WeakPolarHBondContact O-CG 3.39Å; S408-Q412 PolarHBondContact O-N 3.09Å; Q410-Q412 PolarHBondContact O-N 3.23Å; Q412-R416 VanDerWaalsContact O-CB 3.28Å; Q412-R416 WeakPolarHBondContact O-CB 3.47Å; Q412-R416 PolarHBondContact O-N 2.97Å |
| 413 | K | 89.2 | Confident | 82 | Confident | 124 Ų | 124 | 95.5 Ų | 95.5 | 54% | 0.539 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -66.5 | -45.8 | 171.7 | -78.9 | 163.7 | 169.9 | 170.1 | 0 | 110.6 | Q409 Q410 Q411 R416 L417 | Q409-K413 WeakPolarHBondContact O-CB 3.34Å; Q409-K413 WeakPolarHBondContact O-CD 3.35Å; Q409-K413 VanDerWaalsContact O-CG 3.24Å; Q409-K413 WeakPolarHBondContact O-CG 3.32Å; Q409-K413 PolarHBondContact O-N 3.07Å; Q409-K413 VanDerWaalsContact OE1-CE 3.31Å; Q410-K413 WeakPolarHBondContact O-CB 3.49Å; Q410-K413 PolarHBondContact O-N 3.34Å; Q411-K413 PolarHBondContact O-N 2.78Å; K413-R416 PolarHBondContact O-N 2.92Å; K413-L417 WeakPolarHBondContact O-CB 3.18Å; K413-L417 PolarHBondContact O-N 3.44Å |
| 414 | F | 88 | Confident | 81.1 | Confident | 50 Ų | 50 | 97.5 Ų | 97.5 | 22% | 0.219 | 51% | 0.509 | C | S | . | . | H | α-helix | trans | -63.3 | -52.4 | 178.8 | 179 | -94.8 | 0 | 0 | 0 | 112 | W400 F405 Q410 Q411 R416 L417 M418 | W400-F414 HydrophobicContact CB-CE1 4.18Å; W400-F414 HydrophobicContact CD2-CE1 4.09Å; W400-F414 HydrophobicContact CD2-CZ 4.31Å; W400-F414 AromaticContact CE3-CE1 3.59Å; W400-F414 HydrophobicContact CE3-CE1 3.59Å; W400-F414 AromaticContact CE3-CZ 3.5Å; W400-F414 HydrophobicContact CE3-CZ 3.5Å; W400-F414 HydrophobicContact CG-CE1 4.35Å; W400-F414 HydrophobicContact CZ3-CE1 4.35Å; W400-F414 AromaticContact CZ3-CZ 3.79Å; W400-F414 HydrophobicContact CZ3-CZ 3.79Å; F405-F414 HydrophobicContact CE1-CB 4.02Å; F405-F414 HydrophobicContact CE1-CD1 4.37Å; F405-F414 HydrophobicContact CE1-CD2 4.16Å; F405-F414 AromaticContact CE1-CG 3.93Å; F405-F414 HydrophobicContact CE1-CG 3.93Å; F405-F414 HydrophobicContact CE2-CB 4.42Å; F405-F414 AromaticContact CE2-CD1 3.94Å; F405-F414 HydrophobicContact CE2-CD1 3.94Å; F405-F414 HydrophobicContact CE2-CG 4.26Å; F405-F414 HydrophobicContact CZ-CB 3.75Å; F405-F414 AromaticContact CZ-CD1 3.4Å; F405-F414 HydrophobicContact CZ-CD1 3.4Å; F405-F414 AromaticContact CZ-CD2 3.91Å; F405-F414 HydrophobicContact CZ-CD2 3.91Å; F405-F414 AromaticContact CZ-CE1 3.9Å; F405-F414 HydrophobicContact CZ-CE1 3.9Å; F405-F414 HydrophobicContact CZ-CE2 4.37Å; F405-F414 AromaticContact CZ-CG 3.39Å; F405-F414 HydrophobicContact CZ-CG 3.39Å; F405-F414 HydrophobicContact CZ-CZ 4.35Å; Q410-F414 WeakPolarHBondContact O-CB 3.18Å; Q410-F414 PolarHBondContact O-N 3.03Å; Q411-F414 PolarHBondContact O-N 3.01Å; F414-R416 PolarHBondContact O-N 2.99Å; F414-L417 WeakPolarHBondContact O-CB 3.47Å; F414-L417 PolarHBondContact O-N 2.83Å; F414-M418 HydrophobicContact CD1-CG 4.16Å; F414-M418 HydrophobicContact CD2-CG 4.27Å; F414-M418 HydrophobicContact CE1-CG 3.78Å; F414-M418 HydrophobicContact CE2-CG 3.89Å; F414-M418 HydrophobicContact CE2-SD 4.31Å; F414-M418 HydrophobicContact CG-CG 4.4Å; F414-M418 HydrophobicContact CZ-CG 3.63Å; F414-M418 HydrophobicContact CZ-SD 4.38Å; F414-M418 WeakPolarHBondContact O-CG 3.42Å; F414-M418 PolarHBondContact O-N 3.42Å |
| 415 | L | 84.8 | Confident | 79.6 | Confident | 19 Ų | 19 | 95.9 Ų | 95.9 | 10% | 0.099 | 50% | 0.5 | C | S | . | . | H | α-helix | trans | -61.4 | -27.8 | 177.1 | -67.2 | 173.9 | 0 | 0 | 0 | 112.3 | L397 W400 Q411 G420 F421 | L397-L415 HydrophobicContact CD2-CD1 4.36Å; L397-L415 HydrophobicContact CD2-CD2 4.28Å; W400-L415 HydrophobicContact CB-CD2 3.71Å; Q411-L415 HydrophobicContact CG-CD1 4.03Å; Q411-L415 HydrophobicContact CG-CG 4.47Å; Q411-L415 WeakPolarHBondContact O-CB 3.34Å; Q411-L415 WeakPolarHBondContact O-CG 3.41Å; Q411-L415 PolarHBondContact O-N 3.15Å; L415-G420 CarbonylContact O-C 3.48Å; L415-G420 WeakPolarHBondContact O-CA 3.32Å; L415-G420 PolarHBondContact O-N 2.76Å; L415-F421 HydrophobicContact CB-CB 4.04Å; L415-F421 PolarHBondContact O-N 2.83Å |
| 416 | R | 86.6 | Confident | 78.3 | Confident | 111 Ų | 111 | 101.3 Ų | 101.3 | 42% | 0.419 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -75 | -40 | 171.3 | -173.1 | 173.9 | -56.8 | 140.5 | 16.1 | 112.8 | Q412 K413 F414 G419 | Q412-R416 VanDerWaalsContact O-CB 3.28Å; Q412-R416 WeakPolarHBondContact O-CB 3.47Å; Q412-R416 PolarHBondContact O-N 2.97Å; K413-R416 PolarHBondContact O-N 2.92Å; F414-R416 PolarHBondContact O-N 2.99Å; R416-G419 PolarHBondContact O-N 3.12Å |
| 417 | L | 89.2 | Confident | 76.5 | Confident | 144 Ų | 144 | 99.2 Ų | 99.2 | 75% | 0.754 | 52% | 0.521 | S | S | * | . | H | α-helix | trans | -64.8 | -43.5 | 177.3 | -177.8 | 63 | 0 | 0 | 0 | 111.3 | K413 F414 G419 | K413-L417 WeakPolarHBondContact O-CB 3.18Å; K413-L417 PolarHBondContact O-N 3.44Å; F414-L417 WeakPolarHBondContact O-CB 3.47Å; F414-L417 PolarHBondContact O-N 2.83Å; L417-G419 PolarHBondContact O-N 2.84Å; L417-G419 VanDerWaalsContact O-N 3.14Å |
| 418 | M | 83.6 | Confident | 74.3 | Confident | 86 Ų | 86 | 100.9 Ų | 100.9 | 42% | 0.424 | 54% | 0.538 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -76.3 | 13.2 | 174.3 | -56.8 | -49.6 | -66.4 | 0 | 0 | 113.5 | W400 F414 G420 | W400-M418 HydrophobicContact CH2-CE 3.74Å; W400-M418 HydrophobicContact CZ2-CE 3.58Å; W400-M418 HydrophobicContact CZ3-CE 4.41Å; F414-M418 HydrophobicContact CD1-CG 4.16Å; F414-M418 HydrophobicContact CD2-CG 4.27Å; F414-M418 HydrophobicContact CE1-CG 3.78Å; F414-M418 HydrophobicContact CE2-CG 3.89Å; F414-M418 HydrophobicContact CE2-SD 4.31Å; F414-M418 HydrophobicContact CG-CG 4.4Å; F414-M418 HydrophobicContact CZ-CG 3.63Å; F414-M418 HydrophobicContact CZ-SD 4.38Å; F414-M418 WeakPolarHBondContact O-CG 3.42Å; F414-M418 PolarHBondContact O-N 3.42Å; M418-G420 PolarHBondContact O-N 3.16Å |
| 419 | G | 78.9 | Confident | 72.3 | Confident | 47 Ų | 47 | 100.5 Ų | 100.5 | 49% | 0.485 | 55% | 0.547 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 74.4 | -12.9 | 175.8 | 0 | 0 | 0 | 0 | 0 | 116.7 | R416 L417 F421 | R416-G419 PolarHBondContact O-N 3.12Å; L417-G419 PolarHBondContact O-N 2.84Å; L417-G419 VanDerWaalsContact O-N 3.14Å; G419-F421 PolarHBondContact O-N 2.59Å |
| 420 | G | 72.4 | Confident | 70.3 | Confident | 39 Ų | 39 | 99.8 Ų | 99.8 | 40% | 0.402 | 56% | 0.561 | S | S | . | * | S | Bend | trans | -66.2 | -24.2 | -177 | 0 | 0 | 0 | 0 | 0 | 116 | L415 M418 | L415-G420 CarbonylContact O-C 3.48Å; L415-G420 WeakPolarHBondContact O-CA 3.32Å; L415-G420 PolarHBondContact O-N 2.76Å; M418-G420 PolarHBondContact O-N 3.16Å |
| 421 | F | 66.1 | Low | 68.1 | Low | 100 Ų | 100 | 99.3 Ų | 99.3 | 44% | 0.439 | 57% | 0.573 | S | S | . | * | | | trans | -128.5 | 76.8 | -178.1 | -127.1 | -86.9 | 0 | 0 | 0 | 114.3 | L397 L415 G419 K423 | L397-F421 HydrophobicContact CD2-CD2 3.84Å; L397-F421 HydrophobicContact CD2-CE2 4.33Å; L415-F421 HydrophobicContact CB-CB 4.04Å; L415-F421 PolarHBondContact O-N 2.83Å; G419-F421 PolarHBondContact O-N 2.59Å; F421-K423 PolarHBondContact O-N 3.15Å |
| 422 | K | 72 | Confident | 66.2 | Low | 146 Ų | 146 | 101.5 Ų | 101.5 | 64% | 0.635 | 60% | 0.602 | S | S | * | * | | | trans | -64.4 | 113.8 | 168.9 | -72.7 | 178.2 | -179.5 | 174.8 | 0 | 110.1 | G424 F425 | K422-G424 PolarHBondContact O-N 3.17Å; K422-F425 HydrophobicContact CB-CD2 3.73Å; K422-F425 HydrophobicContact CB-CE2 3.95Å; K422-F425 HydrophobicContact CD-CE2 4.05Å; K422-F425 PolarHBondContact O-N 3.01Å; K422-F425 VanDerWaalsContact O-N 3.16Å |
| 423 | K | 64.3 | Low | 64.7 | Low | 182 Ų | 182 | 99.4 Ų | 99.4 | 79% | 0.791 | 61% | 0.61 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -65.5 | 95.3 | -178.7 | -171.8 | -172 | 179.9 | -170.2 | 0 | 110.4 | F421 | F421-K423 PolarHBondContact O-N 3.15Š|
| 424 | G | 54.5 | Low | 62.8 | Low | 74 Ų | 74 | 96.1 Ų | 96.1 | 76% | 0.763 | 61% | 0.611 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 154 | -24.9 | -172.7 | 0 | 0 | 0 | 0 | 0 | 112.3 | K422 Q426 | K422-G424 PolarHBondContact O-N 3.17Å; G424-Q426 PolarHBondContact O-N 2.88Å |
| 425 | F | 49.8 | Very low | 61.1 | Low | 155 Ų | 155 | 99.1 Ų | 99.1 | 68% | 0.68 | 65% | 0.645 | S | S | * | * | | | trans | -72.2 | 96.3 | 164.5 | -74.1 | -101.2 | 0 | 0 | 0 | 109.3 | K422 | K422-F425 HydrophobicContact CB-CD2 3.73Å; K422-F425 HydrophobicContact CB-CE2 3.95Å; K422-F425 HydrophobicContact CD-CE2 4.05Å; K422-F425 PolarHBondContact O-N 3.01Å; K422-F425 VanDerWaalsContact O-N 3.16Å |
| 426 | Q | 54.8 | Low | 59.7 | Low | 166 Ų | 166 | 104.7 Ų | 104.7 | 78% | 0.776 | 68% | 0.675 | S | S | * | * | | | trans | -58.6 | 147.5 | 134.9 | -66.1 | -172.7 | -69.4 | 0 | 0 | 107.3 | G424 A428 | G424-Q426 PolarHBondContact O-N 2.88Å; Q426-A428 PolarHBondContact O-N 3.41Å |
| 427 | P | 48.8 | Very low | 58.8 | Low | 125 Ų | 125 | 108.6 Ų | 108.6 | 81% | 0.812 | 70% | 0.7 | S | S | * | * | | | trans | -58.3 | 113.7 | 156.6 | 27.3 | -31.2 | 0 | 0 | 0 | 106.2 | G429 | P427-G429 VanDerWaalsContact C-N 3.29Å; P427-G429 PolarHBondContact O-N 3.31Å |
| 428 | A | 42.4 | Very low | 58.1 | Low | 86 Ų | 86 | 105.5 Ų | 105.5 | 71% | 0.711 | 70% | 0.696 | S | S | * | * | | | trans | -65.4 | 95.9 | 175.5 | 0 | 0 | 0 | 0 | 0 | 107 | Q426 A430 | Q426-A428 PolarHBondContact O-N 3.41Å; A428-A430 PolarHBondContact O-N 2.94Å |
| 429 | G | 44 | Very low | 58.2 | Low | 73 Ų | 73 | 106.2 Ų | 106.2 | 75% | 0.753 | 70% | 0.701 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -51.2 | 110 | -164 | 0 | 0 | 0 | 0 | 0 | 110.8 | P427 A431 | P427-G429 VanDerWaalsContact C-N 3.29Å; P427-G429 PolarHBondContact O-N 3.31Å; G429-A431 VanDerWaalsContact C-N 3.32Å; G429-A431 PolarHBondContact O-N 3.44Å |
| 430 | A | 45 | Very low | 58.7 | Low | 99 Ų | 99 | 106.3 Ų | 106.3 | 82% | 0.818 | 70% | 0.702 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -8.2 | 80.6 | -161 | 0 | 0 | 0 | 0 | 0 | 114.6 | A428 A432 | A428-A430 PolarHBondContact O-N 2.94Å; A430-A432 PolarHBondContact O-N 2.94Å |
| 431 | A | 43.2 | Very low | 59.7 | Low | 83 Ų | 83 | 112.3 Ų | 112.3 | 69% | 0.686 | 72% | 0.717 | S | S | * | * | | | trans | -58.5 | 113.4 | 173.6 | 0 | 0 | 0 | 0 | 0 | 107.7 | G429 G433 | G429-A431 VanDerWaalsContact C-N 3.32Å; G429-A431 PolarHBondContact O-N 3.44Å; A431-G433 VanDerWaalsContact C-N 3.33Å; A431-G433 PolarHBondContact O-N 2.83Å |
| 432 | A | 48 | Very low | 60.9 | Low | 114 Ų | 114 | 113.7 Ų | 113.7 | 94% | 0.942 | 73% | 0.729 | S | S | * | * | S | Bend | trans | -65.2 | 90.2 | -165.7 | 0 | 0 | 0 | 0 | 0 | 111.4 | A430 | A430-A432 PolarHBondContact O-N 2.94Š|
| 433 | G | 52.4 | Low | 61.9 | Low | 64 Ų | 64 | 108.6 Ų | 108.6 | 66% | 0.66 | 71% | 0.714 | S | S | * | * | | | trans | -176.2 | 52.3 | -165.8 | 0 | 0 | 0 | 0 | 0 | 109.4 | A431 | A431-G433 VanDerWaalsContact C-N 3.33Å; A431-G433 PolarHBondContact O-N 2.83Å |
| 434 | G | 49.4 | Very low | 63.3 | Low | 55 Ų | 55 | 104.2 Ų | 104.2 | 57% | 0.567 | 70% | 0.696 | S | S | * | * | | | trans | -65.8 | 152 | -169.3 | 0 | 0 | 0 | 0 | 0 | 114.4 | N436 | G434-N436 PolarHBondContact O-N 3.01Å; G434-N436 PolarHBondContact O-ND2 2.88Å |
| 435 | A | 53.3 | Low | 65.2 | Low | 113 Ų | 113 | 106.5 Ų | 106.5 | 93% | 0.934 | 69% | 0.687 | S | S | * | * | S | Bend | trans | 53.6 | 8.8 | 157.8 | 0 | 0 | 0 | 0 | 0 | 119.3 | | |
| 436 | N | 54.7 | Low | 67.4 | Low | 137 Ų | 137 | 105.8 Ų | 105.8 | 73% | 0.733 | 69% | 0.686 | S | S | * | * | | | trans | -101.9 | 107.4 | -179.9 | -77.1 | -87.4 | 0 | 0 | 0 | 110.6 | G434 A438 | G434-N436 PolarHBondContact O-N 3.01Å; G434-N436 PolarHBondContact O-ND2 2.88Å; N436-A438 PolarHBondContact O-N 2.83Å; N436-A438 VanDerWaalsContact O-N 3.16Å |
| 437 | M | 67.4 | Low | 69.3 | Low | 192 Ų | 192 | 102 Ų | 102 | 95% | 0.946 | 67% | 0.671 | S | S | * | * | | | trans | -69 | -4.6 | 178.5 | -72.8 | -110.8 | 59.3 | 0 | 0 | 114.3 | | |
| 438 | A | 74.9 | Confident | 71.6 | Confident | 79 Ų | 79 | 101.1 Ų | 101.1 | 65% | 0.653 | 66% | 0.656 | S | S | * | * | S | Bend | trans | -84.1 | 139.2 | 176.6 | 0 | 0 | 0 | 0 | 0 | 111.5 | N436 G440 | N436-A438 PolarHBondContact O-N 2.83Å; N436-A438 VanDerWaalsContact O-N 3.16Å; A438-G440 PolarHBondContact O-N 3.26Å |
| 439 | L | 85.2 | Confident | 74.1 | Confident | 101 Ų | 101 | 104.1 Ų | 104.1 | 53% | 0.529 | 66% | 0.655 | S | S | . | * | P | Polyproline II helix | trans | -57.8 | 131.7 | 167.6 | -71.9 | 156.4 | 0 | 0 | 0 | 109.7 | A443 Q444 L447 | L439-A443 HydrophobicContact CB-CB 4.35Å; L439-A443 HydrophobicContact CD2-CB 4.02Å; L439-Q444 HydrophobicContact CB-CB 4.39Å; L439-L447 HydrophobicContact CD1-CD2 3.55Å |
| 440 | G | 91 | Very high | 76.6 | Confident | 50 Ų | 50 | 102.2 Ų | 102.2 | 52% | 0.515 | 64% | 0.635 | S | S | . | * | P | Polyproline II helix | trans | -58.8 | 153.7 | 171.2 | 0 | 0 | 0 | 0 | 0 | 111.4 | A438 D442 A443 Q444 | A438-G440 PolarHBondContact O-N 3.26Å; G440-D442 VanDerWaalsContact C-N 3.25Å; G440-D442 PolarHBondContact O-N 2.94Å; G440-D442 VanDerWaalsContact O-N 3.07Å; G440-A443 CarbonylContact O-C 3.58Å; G440-A443 WeakPolarHBondContact O-CA 3.32Å; G440-A443 WeakPolarHBondContact O-CB 3.37Å; G440-A443 PolarHBondContact O-N 3.3Å; G440-Q444 PolarHBondContact O-N 2.86Å |
| 441 | K | 92.4 | Very high | 79.1 | Confident | 165 Ų | 165 | 102 Ų | 102 | 72% | 0.717 | 62% | 0.62 | S | S | * | * | H | α-helix | trans | -48 | -44.5 | -170.3 | -66.7 | -178.5 | 179.7 | 178.8 | 0 | 113.6 | Q444 Q445 | K441-Q444 WeakPolarHBondContact O-CB 3.46Å; K441-Q444 PolarHBondContact O-N 2.94Å; K441-Q445 WeakPolarHBondContact O-CG 3.27Å; K441-Q445 PolarHBondContact O-N 2.87Å |
| 442 | D | 92.3 | Very high | 81.7 | Confident | 128 Ų | 128 | 102.7 Ų | 102.7 | 68% | 0.684 | 61% | 0.612 | S | S | * | * | H | α-helix | trans | -70.5 | -38.2 | -177.2 | -43 | -32.8 | 0 | 0 | 0 | 111.5 | G440 Q445 Q446 | G440-D442 VanDerWaalsContact C-N 3.25Å; G440-D442 PolarHBondContact O-N 2.94Å; G440-D442 VanDerWaalsContact O-N 3.07Å; D442-Q445 PolarHBondContact O-N 3.44Å; D442-Q446 WeakPolarHBondContact O-CB 3.46Å; D442-Q446 PolarHBondContact O-N 3.32Å |
| 443 | A | 91.8 | Very high | 84 | Confident | 39 Ų | 39 | 98.5 Ų | 98.5 | 32% | 0.322 | 58% | 0.579 | S | S | . | * | H | α-helix | trans | -70.4 | -32.9 | 173.8 | 0 | 0 | 0 | 0 | 0 | 112.1 | L439 G440 L447 | L439-A443 HydrophobicContact CB-CB 4.35Å; L439-A443 HydrophobicContact CD2-CB 4.02Å; G440-A443 CarbonylContact O-C 3.58Å; G440-A443 WeakPolarHBondContact O-CA 3.32Å; G440-A443 WeakPolarHBondContact O-CB 3.37Å; G440-A443 PolarHBondContact O-N 3.3Å; A443-L447 VanDerWaalsContact O-CB 3.32Å; A443-L447 WeakPolarHBondContact O-CB 3.38Å; A443-L447 PolarHBondContact O-N 3.07Å |
| 444 | Q | 94 | Very high | 86 | Confident | 90 Ų | 90 | 101.6 Ų | 101.6 | 42% | 0.421 | 58% | 0.576 | S | S | . | * | H | α-helix | trans | -65.8 | -45 | 170.5 | -179.4 | -175.3 | -12.6 | 0 | 0 | 111.1 | L439 G440 K441 L447 Q448 | L439-Q444 HydrophobicContact CB-CB 4.39Å; G440-Q444 PolarHBondContact O-N 2.86Å; K441-Q444 WeakPolarHBondContact O-CB 3.46Å; K441-Q444 PolarHBondContact O-N 2.94Å; Q444-L447 PolarHBondContact O-N 2.87Å; Q444-Q448 WeakPolarHBondContact O-CB 3.31Å; Q444-Q448 VanDerWaalsContact O-CG 3.31Å; Q444-Q448 WeakPolarHBondContact O-CG 3.47Å; Q444-Q448 PolarHBondContact O-N 2.91Å |
| 445 | Q | 94.9 | Very high | 88.1 | Confident | 122 Ų | 122 | 105.4 Ų | 105.4 | 57% | 0.57 | 58% | 0.578 | S | S | * | * | H | α-helix | trans | -63 | -44.1 | 175.8 | -74.3 | 178 | 7.5 | 0 | 0 | 111.5 | K441 D442 L447 Q448 Q449 | K441-Q445 WeakPolarHBondContact O-CG 3.27Å; K441-Q445 PolarHBondContact O-N 2.87Å; D442-Q445 PolarHBondContact O-N 3.44Å; Q445-L447 VanDerWaalsContact C-N 3.33Å; Q445-L447 PolarHBondContact O-N 2.87Å; Q445-Q448 PolarHBondContact O-N 3.38Å; Q445-Q449 WeakPolarHBondContact O-CB 3.23Å; Q445-Q449 PolarHBondContact O-N 3.03Å |
| 446 | Q | 95.6 | Very high | 90 | Very high | 140 Ų | 140 | 105.3 Ų | 105.3 | 65% | 0.654 | 56% | 0.558 | S | S | * | * | H | α-helix | trans | -61.4 | -40.2 | 175.4 | -169.6 | -179 | 24 | 0 | 0 | 111.8 | D442 G450 | D442-Q446 WeakPolarHBondContact O-CB 3.46Å; D442-Q446 PolarHBondContact O-N 3.32Å; Q446-G450 PolarHBondContact O-N 3.28Å |
| 447 | L | 95.3 | Very high | 91.8 | Very high | 87 Ų | 87 | 106.5 Ų | 106.5 | 46% | 0.455 | 55% | 0.552 | S | S | . | * | H | α-helix | trans | -64.6 | -44.9 | 173.6 | 177.5 | 60.7 | 0 | 0 | 0 | 111.6 | L439 A443 Q444 Q445 G450 L451 | L439-L447 HydrophobicContact CD1-CD2 3.55Å; A443-L447 VanDerWaalsContact O-CB 3.32Å; A443-L447 WeakPolarHBondContact O-CB 3.38Å; A443-L447 PolarHBondContact O-N 3.07Å; Q444-L447 PolarHBondContact O-N 2.87Å; Q445-L447 VanDerWaalsContact C-N 3.33Å; Q445-L447 PolarHBondContact O-N 2.87Å; L447-G450 PolarHBondContact O-N 2.91Å; L447-L451 HydrophobicContact CD1-CD1 4.08Å; L447-L451 HydrophobicContact CD1-CG 4.09Å; L447-L451 HydrophobicContact CG-CD1 3.97Å; L447-L451 HydrophobicContact CG-CG 4.43Å; L447-L451 WeakPolarHBondContact O-CB 3.45Å; L447-L451 VanDerWaalsContact O-CG 3.27Å; L447-L451 WeakPolarHBondContact O-CG 3.39Å; L447-L451 PolarHBondContact O-N 3.39Å |
| 448 | Q | 95.8 | Very high | 92.8 | Very high | 106 Ų | 106 | 99.7 Ų | 99.7 | 50% | 0.495 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -62.5 | -43.8 | 177.9 | -74.8 | 173.2 | -21.4 | 0 | 0 | 111.8 | Q444 Q445 L451 L452 | Q444-Q448 WeakPolarHBondContact O-CB 3.31Å; Q444-Q448 VanDerWaalsContact O-CG 3.31Å; Q444-Q448 WeakPolarHBondContact O-CG 3.47Å; Q444-Q448 PolarHBondContact O-N 2.91Å; Q445-Q448 PolarHBondContact O-N 3.38Å; Q448-L451 PolarHBondContact O-N 3.21Å; Q448-L452 WeakPolarHBondContact O-CB 3.49Å; Q448-L452 PolarHBondContact O-N 2.94Å |
| 449 | Q | 96.4 | Very high | 93.4 | Very high | 149 Ų | 149 | 100.2 Ų | 100.2 | 70% | 0.696 | 52% | 0.515 | S | S | * | . | H | α-helix | trans | -62.3 | -43 | 173.5 | -171.2 | -175.9 | 41.1 | 0 | 0 | 111.6 | Q445 L451 L452 G453 | Q445-Q449 WeakPolarHBondContact O-CB 3.23Å; Q445-Q449 PolarHBondContact O-N 3.03Å; Q449-L451 VanDerWaalsContact C-N 3.34Å; Q449-L451 PolarHBondContact O-N 3.24Å; Q449-L452 PolarHBondContact O-N 3.12Å; Q449-G453 PolarHBondContact O-N 2.94Å |
| 450 | G | 96.8 | Very high | 93.4 | Very high | 33 Ų | 33 | 98 Ų | 98 | 34% | 0.34 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -66.6 | -32 | 177.2 | 0 | 0 | 0 | 0 | 0 | 113.8 | Q446 L447 Q454 | Q446-G450 PolarHBondContact O-N 3.28Å; L447-G450 PolarHBondContact O-N 2.91Å; G450-Q454 WeakPolarHBondContact O-CB 3.34Å; G450-Q454 VanDerWaalsContact O-CG 3.24Å; G450-Q454 WeakPolarHBondContact O-CG 3.39Å; G450-Q454 PolarHBondContact O-N 3.12Å; G450-Q454 PolarHBondContact O-NE2 3.23Å |
| 451 | L | 97 | Very high | 92.9 | Very high | 95 Ų | 95 | 103.7 Ų | 103.7 | 50% | 0.497 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -73.5 | -42.4 | 173 | -73.6 | 169.4 | 0 | 0 | 0 | 111.4 | L447 Q448 Q449 Q454 F455 | L447-L451 HydrophobicContact CD1-CD1 4.08Å; L447-L451 HydrophobicContact CD1-CG 4.09Å; L447-L451 HydrophobicContact CG-CD1 3.97Å; L447-L451 HydrophobicContact CG-CG 4.43Å; L447-L451 WeakPolarHBondContact O-CB 3.45Å; L447-L451 VanDerWaalsContact O-CG 3.27Å; L447-L451 WeakPolarHBondContact O-CG 3.39Å; L447-L451 PolarHBondContact O-N 3.39Å; Q448-L451 PolarHBondContact O-N 3.21Å; Q449-L451 VanDerWaalsContact C-N 3.34Å; Q449-L451 PolarHBondContact O-N 3.24Å; L451-Q454 PolarHBondContact O-N 3.12Å; L451-F455 WeakPolarHBondContact O-CB 3.41Å; L451-F455 PolarHBondContact O-N 3.2Å |
| 452 | L | 96.6 | Very high | 92.2 | Very high | 98 Ų | 98 | 102.2 Ų | 102.2 | 51% | 0.513 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -62.4 | -49.7 | 176.7 | -175.8 | 62.2 | 0 | 0 | 0 | 111.4 | Q448 Q449 Q454 F455 E456 | Q448-L452 WeakPolarHBondContact O-CB 3.49Å; Q448-L452 PolarHBondContact O-N 2.94Å; Q449-L452 PolarHBondContact O-N 3.12Å; L452-Q454 PolarHBondContact O-N 3.06Å; L452-F455 WeakPolarHBondContact O-CB 3.46Å; L452-F455 PolarHBondContact O-N 3.23Å; L452-E456 WeakPolarHBondContact O-CG 3.45Å; L452-E456 PolarHBondContact O-N 3.49Å |
| 453 | G | 96.2 | Very high | 91 | Very high | 25 Ų | 25 | 102 Ų | 102 | 26% | 0.258 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -68.4 | -13.1 | 176.1 | 0 | 0 | 0 | 0 | 0 | 114.8 | Q449 R457 | Q449-G453 PolarHBondContact O-N 2.94Å; G453-R457 VanDerWaalsContact O-CB 3.29Å; G453-R457 WeakPolarHBondContact O-CB 3.41Å |
| 454 | Q | 94.6 | Very high | 89.9 | Confident | 129 Ų | 129 | 102.9 Ų | 102.9 | 60% | 0.603 | 51% | 0.506 | S | S | * | . | H | α-helix | trans | -85.2 | -41 | 166.1 | -82.6 | 176.4 | 77.1 | 0 | 0 | 111.8 | G450 L451 L452 R457 A458 | G450-Q454 WeakPolarHBondContact O-CB 3.34Å; G450-Q454 VanDerWaalsContact O-CG 3.24Å; G450-Q454 WeakPolarHBondContact O-CG 3.39Å; G450-Q454 PolarHBondContact O-N 3.12Å; G450-Q454 PolarHBondContact O-NE2 3.23Å; L451-Q454 PolarHBondContact O-N 3.12Å; L452-Q454 PolarHBondContact O-N 3.06Å; Q454-R457 PolarHBondContact O-N 2.85Å; Q454-A458 WeakPolarHBondContact O-CB 3.24Å; Q454-A458 PolarHBondContact O-N 3.36Å |
| 455 | F | 95 | Very high | 88.4 | Confident | 136 Ų | 136 | 104.1 Ų | 104.1 | 60% | 0.596 | 51% | 0.51 | S | S | * | . | H | α-helix | trans | -60.1 | -49.4 | 174.9 | 172.9 | -95.8 | 0 | 0 | 0 | 111.3 | L451 L452 R457 A458 H459 | L451-F455 WeakPolarHBondContact O-CB 3.41Å; L451-F455 PolarHBondContact O-N 3.2Å; L452-F455 WeakPolarHBondContact O-CB 3.46Å; L452-F455 PolarHBondContact O-N 3.23Å; F455-R457 VanDerWaalsContact C-N 3.34Å; F455-R457 PolarHBondContact O-N 2.94Å; F455-A458 CarbonylContact O-C 3.6Å; F455-A458 PolarHBondContact O-N 3.37Å; F455-H459 WeakPolarHBondContact O-CB 3.47Å; F455-H459 PolarHBondContact O-N 3.22Å |
| 456 | E | 93.3 | Very high | 87 | Confident | 111 Ų | 111 | 102.9 Ų | 102.9 | 52% | 0.519 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -57.6 | -45.4 | 175.6 | -70.3 | 168.8 | 177.1 | 0 | 0 | 111.7 | L452 A458 H459 A460 | L452-E456 WeakPolarHBondContact O-CG 3.45Å; L452-E456 PolarHBondContact O-N 3.49Å; E456-A458 VanDerWaalsContact C-N 3.34Å; E456-A458 PolarHBondContact O-N 2.85Å; E456-H459 PolarHBondContact O-N 3.34Å; E456-A460 WeakPolarHBondContact O-CB 3.43Å; E456-A460 PolarHBondContact O-N 2.89Å |
| 457 | R | 91.3 | Very high | 85.5 | Confident | 162 Ų | 162 | 102.4 Ų | 102.4 | 61% | 0.611 | 52% | 0.517 | S | S | * | . | H | α-helix | trans | -66.3 | -34.2 | 178.3 | -170.8 | -176.1 | -53.3 | -108.1 | -4.6 | 112.7 | G453 Q454 F455 R461 | G453-R457 VanDerWaalsContact O-CB 3.29Å; G453-R457 WeakPolarHBondContact O-CB 3.41Å; Q454-R457 PolarHBondContact O-N 2.85Å; F455-R457 VanDerWaalsContact C-N 3.34Å; F455-R457 PolarHBondContact O-N 2.94Å; R457-R461 WeakPolarHBondContact O-CD 3.29Å; R457-R461 VanDerWaalsContact O-CG 3.27Å; R457-R461 WeakPolarHBondContact O-CG 3.46Å; R457-R461 PolarHBondContact O-N 3.18Å |
| 458 | A | 89.1 | Confident | 84.2 | Confident | 49 Ų | 49 | 105.1 Ų | 105.1 | 41% | 0.405 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -71.9 | -40.3 | 171.9 | 0 | 0 | 0 | 0 | 0 | 111.2 | Q454 F455 E456 R461 K462 | Q454-A458 WeakPolarHBondContact O-CB 3.24Å; Q454-A458 PolarHBondContact O-N 3.36Å; F455-A458 CarbonylContact O-C 3.6Å; F455-A458 PolarHBondContact O-N 3.37Å; E456-A458 VanDerWaalsContact C-N 3.34Å; E456-A458 PolarHBondContact O-N 2.85Å; A458-R461 WeakPolarHBondContact O-CB 3.27Å; A458-R461 PolarHBondContact O-N 3.13Å; A458-K462 WeakPolarHBondContact O-CG 3.4Å; A458-K462 PolarHBondContact O-N 3.3Å |
| 459 | H | 87.5 | Confident | 82.5 | Confident | 90 Ų | 90 | 101.2 Ų | 101.2 | 42% | 0.417 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -64.8 | -45.3 | 178.5 | -168.2 | -97.4 | 0 | 0 | 0 | 111.8 | F455 E456 R461 K462 M463 | F455-H459 WeakPolarHBondContact O-CB 3.47Å; F455-H459 PolarHBondContact O-N 3.22Å; E456-H459 PolarHBondContact O-N 3.34Å; H459-R461 VanDerWaalsContact C-N 3.32Å; H459-R461 PolarHBondContact O-N 3.08Å; H459-K462 WeakPolarHBondContact O-CA 3.44Å; H459-K462 WeakPolarHBondContact O-CB 3.05Å; H459-K462 PolarHBondContact O-N 3.49Å; H459-M463 VanDerWaalsContact CE1-CE 3.43Å; H459-M463 WeakPolarHBondContact CE1-CE 3.41Å; H459-M463 PolarHBondContact O-N 2.84Å |
| 460 | A | 84 | Confident | 80.9 | Confident | 53 Ų | 53 | 98.9 Ų | 98.9 | 44% | 0.438 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -55.9 | -46.3 | 171.5 | 0 | 0 | 0 | 0 | 0 | 111.4 | E456 K462 M463 D464 | E456-A460 WeakPolarHBondContact O-CB 3.43Å; E456-A460 PolarHBondContact O-N 2.89Å; A460-K462 PolarHBondContact O-N 3.05Å; A460-M463 PolarHBondContact O-N 2.93Å; A460-D464 PolarHBondContact O-N 3.4Å |
| 461 | R | 80.9 | Confident | 79.2 | Confident | 170 Ų | 170 | 100.5 Ų | 100.5 | 64% | 0.642 | 53% | 0.533 | S | S | * | . | H | α-helix | trans | -62.6 | -25.7 | 174.6 | -74.9 | 171.9 | 174.8 | -173.4 | -2.6 | 114.2 | R457 A458 H459 | R457-R461 WeakPolarHBondContact O-CD 3.29Å; R457-R461 VanDerWaalsContact O-CG 3.27Å; R457-R461 WeakPolarHBondContact O-CG 3.46Å; R457-R461 PolarHBondContact O-N 3.18Å; A458-R461 WeakPolarHBondContact O-CB 3.27Å; A458-R461 PolarHBondContact O-N 3.13Å; H459-R461 VanDerWaalsContact C-N 3.32Å; H459-R461 PolarHBondContact O-N 3.08Å |
| 462 | K | 78.4 | Confident | 77.8 | Confident | 134 Ų | 134 | 102.3 Ų | 102.3 | 58% | 0.583 | 54% | 0.542 | S | S | * | . | H | α-helix | trans | -78.5 | -27.9 | 173.2 | -69.6 | -179.3 | 73 | -179.7 | 0 | 112.6 | A458 H459 A460 F465 | A458-K462 WeakPolarHBondContact O-CG 3.4Å; A458-K462 PolarHBondContact O-N 3.3Å; H459-K462 WeakPolarHBondContact O-CA 3.44Å; H459-K462 WeakPolarHBondContact O-CB 3.05Å; H459-K462 PolarHBondContact O-N 3.49Å; A460-K462 PolarHBondContact O-N 3.05Å; K462-F465 HydrophobicContact CB-CD2 4.21Å; K462-F465 HydrophobicContact CB-CE2 3.89Å; K462-F465 HydrophobicContact CB-CZ 4.48Å; K462-F465 HydrophobicContact CG-CE2 3.75Å; K462-F465 HydrophobicContact CG-CZ 4.03Å; K462-F465 WeakPolarHBondContact O-CD2 3.48Å; K462-F465 WeakPolarHBondContact O-CG 3.46Å |
| 463 | M | 67.6 | Low | 76.4 | Confident | 124 Ų | 124 | 101.2 Ų | 101.2 | 61% | 0.611 | 55% | 0.554 | S | S | * | * | H | α-helix | trans | -78.5 | -31.6 | 171.3 | -61.1 | -56 | 175.7 | 0 | 0 | 111.9 | H459 A460 F465 S466 | H459-M463 VanDerWaalsContact CE1-CE 3.43Å; H459-M463 WeakPolarHBondContact CE1-CE 3.41Å; H459-M463 PolarHBondContact O-N 2.84Å; A460-M463 PolarHBondContact O-N 2.93Å; M463-F465 PolarHBondContact O-N 3.29Å; M463-F465 VanDerWaalsContact O-N 3.13Å; M463-S466 PolarHBondContact O-OG 3.45Å |
| 464 | D | 67.1 | Low | 74.9 | Confident | 57 Ų | 57 | 107.5 Ų | 107.5 | 31% | 0.305 | 58% | 0.575 | S | S | . | * | G | 310 helix | trans | -61.9 | -11.4 | 171.2 | -87.7 | 6.6 | 0 | 0 | 0 | 114.5 | A460 S466 N467 R468 | A460-D464 PolarHBondContact O-N 3.4Å; D464-S466 PolarHBondContact O-N 3.26Å; D464-N467 PolarHBondContact O-N 3.19Å; D464-R468 PolarHBondContact O-N 3.41Å; D464-R468 IonicContact OD2-CZ 2.8Å; D464-R468 IonicContact OD2-NH1 3.15Å; D464-R468 PolarHBondContact OD2-NH1 3.2Å |
| 465 | F | 63.3 | Low | 73.7 | Confident | 116 Ų | 116 | 105.4 Ų | 105.4 | 51% | 0.509 | 57% | 0.571 | S | S | . | * | G | 310 helix | trans | -59.5 | -17.5 | -178.8 | -74.1 | -32.1 | 0 | 0 | 0 | 114.3 | K462 M463 N467 | K462-F465 HydrophobicContact CB-CD2 4.21Å; K462-F465 HydrophobicContact CB-CE2 3.89Å; K462-F465 HydrophobicContact CB-CZ 4.48Å; K462-F465 HydrophobicContact CG-CE2 3.75Å; K462-F465 HydrophobicContact CG-CZ 4.03Å; K462-F465 WeakPolarHBondContact O-CD2 3.48Å; K462-F465 WeakPolarHBondContact O-CG 3.46Å; M463-F465 PolarHBondContact O-N 3.29Å; M463-F465 VanDerWaalsContact O-N 3.13Å; F465-N467 VanDerWaalsContact C-N 3.34Å |
| 466 | S | 65.7 | Low | 72.3 | Confident | 97 Ų | 97 | 102 Ų | 102 | 68% | 0.678 | 57% | 0.568 | S | S | * | * | G | 310 helix | trans | -68 | -31 | 170.6 | 51.3 | 0 | 0 | 0 | 0 | 113.3 | M463 D464 | M463-S466 PolarHBondContact O-OG 3.45Å; D464-S466 PolarHBondContact O-N 3.26Å |
| 467 | N | 64.9 | Low | 71 | Confident | 129 Ų | 129 | 100.6 Ų | 100.6 | 69% | 0.69 | 57% | 0.568 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -115 | -16.9 | -172.2 | -67.8 | -56.1 | 0 | 0 | 0 | 113.7 | D464 F465 | D464-N467 PolarHBondContact O-N 3.19Å; F465-N467 VanDerWaalsContact C-N 3.34Å |
| 468 | R | 66.6 | Low | 69.9 | Low | 144 Ų | 144 | 97.2 Ų | 97.2 | 54% | 0.543 | 57% | 0.569 | S | S | . | * | S | Bend | trans | -118.2 | 126.6 | 173.5 | -76.1 | 177.3 | 168.4 | 124.5 | 0.8 | 110.2 | D464 | D464-R468 PolarHBondContact O-N 3.41Å; D464-R468 IonicContact OD2-CZ 2.8Å; D464-R468 IonicContact OD2-NH1 3.15Å; D464-R468 PolarHBondContact OD2-NH1 3.2Å |
| 469 | G | 61.2 | Low | 68.8 | Low | 25 Ų | 25 | 102.5 Ų | 102.5 | 26% | 0.258 | 59% | 0.591 | S | S | . | * | | | trans | -56 | 148 | -177.5 | 0 | 0 | 0 | 0 | 0 | 112.7 | G471 F474 | G469-G471 PolarHBondContact O-N 2.84Å; G469-F474 WeakPolarHBondContact CA-O 3.32Å; G469-F474 PolarHBondContact N-O 2.78Å |
| 470 | A | 61.7 | Low | 68.3 | Low | 100 Ų | 100 | 105.9 Ų | 105.9 | 83% | 0.826 | 61% | 0.605 | S | S | * | * | S | Bend | trans | -53.1 | 111.4 | -164.6 | 0 | 0 | 0 | 0 | 0 | 114 | L472 | A470-L472 PolarHBondContact O-N 3.01Å; A470-L472 VanDerWaalsContact O-N 3.12Å |
| 471 | G | 61.6 | Low | 68.1 | Low | 67 Ų | 67 | 113.1 Ų | 113.1 | 69% | 0.691 | 63% | 0.626 | S | S | * | * | S | Bend | trans | 78.6 | -12.3 | 154.2 | 0 | 0 | 0 | 0 | 0 | 119.2 | G469 | G469-G471 PolarHBondContact O-N 2.84Š|
| 472 | L | 67.1 | Low | 67.6 | Low | 133 Ų | 133 | 112.8 Ų | 112.8 | 70% | 0.696 | 63% | 0.629 | S | S | * | * | S | Bend | trans | -131.4 | 22.3 | -169.6 | -153 | 67.3 | 0 | 0 | 0 | 115.8 | A470 F474 | A470-L472 PolarHBondContact O-N 3.01Å; A470-L472 VanDerWaalsContact O-N 3.12Å; L472-F474 HydrophobicContact CB-CD2 4.13Å; L472-F474 HydrophobicContact CD2-CD2 4.21Å; L472-F474 HydrophobicContact CD2-CE2 4Å; L472-F474 HydrophobicContact CG-CD2 4.21Å; L472-F474 HydrophobicContact CG-CE2 4.18Å; L472-F474 VanDerWaalsContact O-CD2 3.23Å; L472-F474 WeakPolarHBondContact O-CD2 3.42Å; L472-F474 PolarHBondContact O-N 3.07Å |
| 473 | G | 68.1 | Low | 67.5 | Low | 74 Ų | 74 | 111.9 Ų | 111.9 | 76% | 0.763 | 64% | 0.64 | S | S | * | * | S | Bend | trans | 73.7 | -15.9 | 174.4 | 0 | 0 | 0 | 0 | 0 | 115.6 | T475 | G473-T475 PolarHBondContact O-N 2.98Å; G473-T475 VanDerWaalsContact O-N 3.12Å |
| 474 | F | 63.3 | Low | 68.1 | Low | 158 Ų | 158 | 113.2 Ų | 113.2 | 69% | 0.693 | 65% | 0.648 | S | S | * | * | | | trans | -69.3 | 101.4 | 168.4 | -62.1 | -76.5 | 0 | 0 | 0 | 110.4 | G469 L472 A476 | G469-F474 WeakPolarHBondContact CA-O 3.32Å; G469-F474 PolarHBondContact N-O 2.78Å; L472-F474 HydrophobicContact CB-CD2 4.13Å; L472-F474 HydrophobicContact CD2-CD2 4.21Å; L472-F474 HydrophobicContact CD2-CE2 4Å; L472-F474 HydrophobicContact CG-CD2 4.21Å; L472-F474 HydrophobicContact CG-CE2 4.18Å; L472-F474 VanDerWaalsContact O-CD2 3.23Å; L472-F474 WeakPolarHBondContact O-CD2 3.42Å; L472-F474 PolarHBondContact O-N 3.07Å; F474-A476 PolarHBondContact O-N 2.88Å |
| 475 | T | 69.8 | Low | 68.7 | Low | 85 Ų | 85 | 114.9 Ų | 114.9 | 52% | 0.521 | 66% | 0.657 | S | S | . | * | P | Polyproline II helix | trans | -55.6 | 126.6 | 161.3 | -49.8 | 0 | 0 | 0 | 0 | 108.1 | G473 | G473-T475 PolarHBondContact O-N 2.98Å; G473-T475 VanDerWaalsContact O-N 3.12Å |
| 476 | A | 66.9 | Low | 69.3 | Low | 63 Ų | 63 | 116.7 Ų | 116.7 | 52% | 0.521 | 67% | 0.671 | S | S | . | * | P | Polyproline II helix | trans | -58.9 | 132.2 | 176.3 | 0 | 0 | 0 | 0 | 0 | 109.1 | F474 S478 | F474-A476 PolarHBondContact O-N 2.88Å; A476-S478 PolarHBondContact O-N 3.37Å; A476-S478 VanDerWaalsContact O-N 3.16Å |
| 477 | P | 64.4 | Low | 69.9 | Low | 82 Ų | 82 | 119 Ų | 119 | 53% | 0.532 | 68% | 0.675 | S | S | . | * | P | Polyproline II helix | trans | -53.6 | 124.2 | 177.6 | -28.8 | 36.4 | 0 | 0 | 0 | 110.8 | N479 F482 | P477-N479 VanDerWaalsContact C-N 3.26Å; P477-N479 PolarHBondContact O-N 3.21Å; P477-F482 HydrophobicContact CB-CD2 4.32Å; P477-F482 HydrophobicContact CB-CE2 3.77Å; P477-F482 HydrophobicContact CG-CD2 4.38Å; P477-F482 HydrophobicContact CG-CE2 3.85Å |
| 478 | S | 68.4 | Low | 70.4 | Confident | 91 Ų | 91 | 115.7 Ų | 115.7 | 64% | 0.636 | 67% | 0.666 | S | S | * | * | | | trans | -70.7 | 78.2 | -171.8 | 44 | 0 | 0 | 0 | 0 | 111.8 | A476 K480 | A476-S478 PolarHBondContact O-N 3.37Å; A476-S478 VanDerWaalsContact O-N 3.16Å; S478-K480 PolarHBondContact O-N 2.74Å |
| 479 | N | 67.1 | Low | 70.8 | Confident | 161 Ų | 161 | 113 Ų | 113 | 86% | 0.861 | 67% | 0.669 | S | S | * | * | S | Bend | trans | 51.5 | 6.2 | 178.1 | 47.2 | -73.6 | 0 | 0 | 0 | 116.4 | P477 K481 | P477-N479 VanDerWaalsContact C-N 3.26Å; P477-N479 PolarHBondContact O-N 3.21Å; N479-K481 PolarHBondContact O-N 2.75Å |
| 480 | K | 75.2 | Confident | 71.2 | Confident | 161 Ų | 161 | 123 Ų | 123 | 70% | 0.7 | 70% | 0.699 | S | S | * | * | | | trans | -71.7 | 104.1 | 165.7 | -83.1 | -175.5 | 172.2 | 179.6 | 0 | 109.7 | S478 F482 | S478-K480 PolarHBondContact O-N 2.74Å; K480-F482 PolarHBondContact O-N 3.16Å; K480-F482 VanDerWaalsContact O-N 3.08Å |
| 481 | K | 79.8 | Confident | 71.8 | Confident | 204 Ų | 204 | 122.5 Ų | 122.5 | 89% | 0.887 | 69% | 0.689 | S | S | * | * | | | trans | -62.8 | 105.1 | 165.3 | -60.5 | 178 | -177.2 | 179.1 | 0 | 108.1 | N479 S483 | N479-K481 PolarHBondContact O-N 2.75Å; K481-S483 PolarHBondContact O-N 2.81Å; K481-S483 VanDerWaalsContact O-N 3.13Å |
| 482 | F | 71.3 | Confident | 72.5 | Confident | 163 Ų | 163 | 124.8 Ų | 124.8 | 72% | 0.715 | 69% | 0.689 | S | S | * | * | | | trans | -68.7 | 107.4 | 168.7 | -73.1 | -69.6 | 0 | 0 | 0 | 108.6 | P477 K480 I484 | P477-F482 HydrophobicContact CB-CD2 4.32Å; P477-F482 HydrophobicContact CB-CE2 3.77Å; P477-F482 HydrophobicContact CG-CD2 4.38Å; P477-F482 HydrophobicContact CG-CE2 3.85Å; K480-F482 PolarHBondContact O-N 3.16Å; K480-F482 VanDerWaalsContact O-N 3.08Å; F482-I484 PolarHBondContact O-N 2.73Å |
| 483 | S | 76.9 | Confident | 73 | Confident | 116 Ų | 116 | 128 Ų | 128 | 81% | 0.811 | 69% | 0.692 | S | S | * | * | | | trans | -69.8 | 106.1 | 170.9 | 51.5 | 0 | 0 | 0 | 0 | 109.3 | K481 D485 | K481-S483 PolarHBondContact O-N 2.81Å; K481-S483 VanDerWaalsContact O-N 3.13Å; S483-D485 PolarHBondContact O-N 2.92Å |
| 484 | I | 78.8 | Confident | 73.3 | Confident | 152 Ų | 152 | 133.5 Ų | 133.5 | 78% | 0.779 | 70% | 0.696 | S | S | * | * | | | trans | -73.5 | 105.8 | 163.5 | -57.9 | 175.1 | 0 | 0 | 0 | 106.1 | F482 I486 | F482-I484 PolarHBondContact O-N 2.73Å; I484-I486 PolarHBondContact O-N 2.89Å |
| 485 | D | 79.5 | Confident | 73.8 | Confident | 91 Ų | 91 | 132.1 Ų | 132.1 | 49% | 0.487 | 70% | 0.696 | S | S | . | * | | | trans | -68.8 | 112.8 | 168.2 | 177.9 | 11.1 | 0 | 0 | 0 | 108.4 | S483 N487 A488 | S483-D485 PolarHBondContact O-N 2.92Å; D485-N487 PolarHBondContact O-N 3.04Å; D485-N487 WeakPolarHBondContact OD1-CB 3.11Å; D485-N487 PolarHBondContact OD1-N 2.92Å; D485-N487 PolarHBondContact OD1-ND2 3.06Å; D485-A488 HydrophobicContact CB-CB 3.81Å; D485-A488 WeakPolarHBondContact O-CB 3.43Å; D485-A488 PolarHBondContact O-N 3.27Å; D485-A488 VanDerWaalsContact O-N 3.12Å |
| 486 | I | 76.3 | Confident | 73.3 | Confident | 155 Ų | 155 | 139.2 Ų | 139.2 | 80% | 0.795 | 73% | 0.73 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -64.9 | -25.2 | -177.9 | -56.5 | 175 | 0 | 0 | 0 | 110.5 | I484 | I484-I486 PolarHBondContact O-N 2.89Š|
| 487 | N | 78.6 | Confident | 73.6 | Confident | 145 Ų | 145 | 143 Ų | 143 | 78% | 0.775 | 74% | 0.741 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -83.2 | -17.9 | 178.4 | -48.7 | -66.6 | 0 | 0 | 0 | 112.5 | D485 S489 | D485-N487 PolarHBondContact O-N 3.04Å; D485-N487 WeakPolarHBondContact OD1-CB 3.11Å; D485-N487 PolarHBondContact OD1-N 2.92Å; D485-N487 PolarHBondContact OD1-ND2 3.06Å; N487-S489 PolarHBondContact O-N 2.76Å |
| 488 | A | 76.7 | Confident | 74.1 | Confident | 59 Ų | 59 | 146.2 Ų | 146.2 | 49% | 0.488 | 75% | 0.752 | S | S | . | * | | | trans | -78.2 | 41.1 | -178.6 | 0 | 0 | 0 | 0 | 0 | 113.4 | D485 R490 | D485-A488 HydrophobicContact CB-CB 3.81Å; D485-A488 WeakPolarHBondContact O-CB 3.43Å; D485-A488 PolarHBondContact O-N 3.27Å; D485-A488 VanDerWaalsContact O-N 3.12Å; A488-R490 VanDerWaalsContact C-N 3.29Å; A488-R490 PolarHBondContact O-N 3.31Å |
| 489 | S | 73.2 | Confident | 74.4 | Confident | 87 Ų | 87 | 149.3 Ų | 149.3 | 61% | 0.608 | 76% | 0.758 | S | S | * | * | | | trans | -71.3 | 79.6 | 178.1 | -173.6 | 0 | 0 | 0 | 0 | 111.5 | N487 S491 | N487-S489 PolarHBondContact O-N 2.76Å; S489-S491 PolarHBondContact O-N 3.13Å; S489-S491 PolarHBondContact OG-OG 3.26Å |
| 490 | R | 71.3 | Confident | 74.8 | Confident | 236 Ų | 236 | 148.6 Ų | 148.6 | 89% | 0.891 | 75% | 0.752 | S | S | * | * | | | trans | -75.4 | 47.7 | 171.9 | -61.5 | -170.6 | 70.3 | -178.5 | 2.1 | 112 | A488 V492 | A488-R490 VanDerWaalsContact C-N 3.29Å; A488-R490 PolarHBondContact O-N 3.31Å; R490-V492 PolarHBondContact O-N 3.15Å; R490-V492 VanDerWaalsContact O-N 3.15Å |
| 491 | S | 73 | Confident | 74.8 | Confident | 89 Ų | 89 | 147.8 Ų | 147.8 | 62% | 0.622 | 76% | 0.755 | S | S | * | * | | | trans | -77.1 | 93.3 | 173.7 | 53.7 | 0 | 0 | 0 | 0 | 110 | S489 | S489-S491 PolarHBondContact O-N 3.13Å; S489-S491 PolarHBondContact OG-OG 3.26Å |
| 492 | V | 77.4 | Confident | 74.5 | Confident | 115 Ų | 115 | 144.1 Ų | 144.1 | 70% | 0.697 | 75% | 0.746 | S | S | * | * | | | trans | -69.3 | 127.1 | 166.4 | -178.6 | 0 | 0 | 0 | 0 | 108 | R490 | R490-V492 PolarHBondContact O-N 3.15Å; R490-V492 VanDerWaalsContact O-N 3.15Å |
| 493 | R | 77.9 | Confident | 74.7 | Confident | 200 Ų | 200 | 142.7 Ų | 142.7 | 76% | 0.755 | 75% | 0.749 | S | S | * | * | | | trans | -82.3 | 142.3 | 169.7 | -48.4 | -177.9 | 83 | 97.3 | -4.9 | 108.6 | D495 | R493-D495 VanDerWaalsContact C-N 3.33Å; R493-D495 WeakPolarHBondContact CB-OD2 3.22Å; R493-D495 WeakPolarHBondContact CD-OD2 3.49Å; R493-D495 IonicContact NE-OD2 2.73Å; R493-D495 PolarHBondContact NE-OD2 2.65Å; R493-D495 VanDerWaalsContact NE-OD2 3.15Å; R493-D495 PolarHBondContact O-N 2.68Å |
| 494 | F | 72.6 | Confident | 74.5 | Confident | 191 Ų | 191 | 144.8 Ų | 144.8 | 84% | 0.838 | 74% | 0.744 | S | S | * | * | | | trans | -100.4 | 61.9 | 175.9 | -69.8 | -84.1 | 0 | 0 | 0 | 108.9 | | |
| 495 | D | 74 | Confident | 74.1 | Confident | 129 Ų | 129 | 144.2 Ų | 144.2 | 69% | 0.69 | 74% | 0.741 | S | S | * | * | | | trans | -102.4 | 67.3 | 177.6 | -56.3 | -35.2 | 0 | 0 | 0 | 107.1 | R493 | R493-D495 VanDerWaalsContact C-N 3.33Å; R493-D495 WeakPolarHBondContact CB-OD2 3.22Å; R493-D495 WeakPolarHBondContact CD-OD2 3.49Å; R493-D495 IonicContact NE-OD2 2.73Å; R493-D495 PolarHBondContact NE-OD2 2.65Å; R493-D495 VanDerWaalsContact NE-OD2 3.15Å; R493-D495 PolarHBondContact O-N 2.68Å |
| 496 | D | 59.3 | Low | 73.7 | Confident | 233 Ų | 233 | 149 Ų | 149 | 100% | 1.246 | 76% | 0.764 | S | S | * | * | | | trans | -160.4 | 0 | -178.3 | -166.7 | 62.5 | 0 | 0 | 0 | 110.9 | | |