| 1 | M | 32 | Very low | 31.7 | Very low | 245 Ų | 245 | 153.9 Ų | 153.9 | 100% | 1.207 | 84% | 0.835 | S | S | * | * | | | | 0 | 171.1 | 0 | -84.9 | 155.7 | 56.4 | 0 | 0 | 109.5 | | |
| 2 | K | 35 | Very low | 31.5 | Very low | 214 Ų | 214 | 157.4 Ų | 157.4 | 93% | 0.93 | 84% | 0.841 | S | S | * | * | | | trans | -43.4 | 152.4 | 176.6 | -48 | 165.5 | -175.6 | 177.2 | 0 | 113.3 | | |
| 3 | G | 35.5 | Very low | 31.3 | Very low | 71 Ų | 71 | 150.1 Ų | 150.1 | 73% | 0.732 | 83% | 0.825 | S | S | * | * | | | cis | 140 | 139 | -8.4 | 0 | 0 | 0 | 0 | 0 | 115.1 | | |
| 4 | L | 36.7 | Very low | 31.2 | Very low | 175 Ų | 175 | 149.1 Ų | 149.1 | 92% | 0.916 | 83% | 0.825 | S | S | * | * | | | trans | 77.5 | 157.6 | 159.8 | -58.5 | 176.2 | 0 | 0 | 0 | 122.3 | | |
| 5 | S | 30.6 | Very low | 31.1 | Very low | 113 Ų | 113 | 147.5 Ų | 147.5 | 79% | 0.79 | 82% | 0.821 | S | S | * | * | | | trans | 69.2 | 130.2 | 166.2 | -57.1 | 0 | 0 | 0 | 0 | 118.7 | | |
| 6 | S | 30.8 | Very low | 30.9 | Very low | 120 Ų | 120 | 145.5 Ų | 145.5 | 84% | 0.839 | 82% | 0.819 | S | S | * | * | | | cis | 83.1 | 102.3 | 2.9 | -157 | 0 | 0 | 0 | 0 | 120.1 | | |
| 7 | S | 29.6 | Very low | 30.8 | Very low | 109 Ų | 109 | 146.4 Ų | 146.4 | 76% | 0.762 | 82% | 0.821 | S | S | * | * | | | trans | -174.3 | 119.9 | 153.7 | 52.6 | 0 | 0 | 0 | 0 | 110 | | |
| 8 | R | 32.4 | Very low | 32.1 | Very low | 234 Ų | 234 | 144.9 Ų | 144.9 | 88% | 0.883 | 82% | 0.819 | S | S | * | * | | | | 48.7 | 121.1 | 98.6 | -67.8 | -173.2 | 173.6 | -146.8 | -1.5 | 114.9 | | |
| 9 | S | 26.2 | Very low | 32.5 | Very low | 90 Ų | 90 | 143.9 Ų | 143.9 | 63% | 0.629 | 82% | 0.819 | S | S | * | * | | | | 80.8 | 109.9 | 51.1 | -177.1 | 0 | 0 | 0 | 0 | 114.5 | | |
| 10 | H | 30.2 | Very low | 32.3 | Very low | 168 Ų | 168 | 142.6 Ų | 142.6 | 78% | 0.778 | 82% | 0.817 | S | S | * | * | | | | -173.7 | -175.5 | 120.4 | -104.6 | -70.3 | 0 | 0 | 0 | 113.5 | | |
| 11 | H | 29.8 | Very low | 32.2 | Very low | 154 Ų | 154 | 142.3 Ų | 142.3 | 71% | 0.713 | 81% | 0.813 | S | S | * | * | | | trans | -110.3 | -176.5 | -160.8 | -73.6 | -99.7 | 0 | 0 | 0 | 114.8 | | |
| 12 | H | 28.8 | Very low | 32 | Very low | 196 Ų | 196 | 136.5 Ų | 136.5 | 91% | 0.907 | 80% | 0.797 | S | S | * | * | | | trans | 82.4 | 146.1 | 174.4 | -47.3 | -75.1 | 0 | 0 | 0 | 114.9 | | |
| 13 | G | 29.4 | Very low | 32.2 | Very low | 62 Ų | 62 | 133.7 Ų | 133.7 | 64% | 0.639 | 79% | 0.791 | S | S | * | * | | | cis | 156 | 172.9 | -2 | 0 | 0 | 0 | 0 | 0 | 111.2 | | |
| 14 | V | 29.4 | Very low | 32.6 | Very low | 136 Ų | 136 | 135.8 Ų | 135.8 | 82% | 0.824 | 79% | 0.792 | S | S | * | * | | | trans | 73.5 | 123.5 | -175.1 | -167.5 | 0 | 0 | 0 | 0 | 111.7 | | |
| 15 | T | 30.1 | Very low | 32.2 | Very low | 125 Ų | 125 | 139.4 Ų | 139.4 | 77% | 0.767 | 79% | 0.793 | S | S | * | * | | | cis | 97.2 | 142.7 | 31.6 | -52.2 | 0 | 0 | 0 | 0 | 113.4 | | |
| 16 | C | 27.9 | Very low | 32.3 | Very low | 116 Ų | 116 | 141.8 Ų | 141.8 | 78% | 0.784 | 79% | 0.792 | S | S | * | * | | | trans | 91 | 140.9 | 175.8 | -60.9 | 0 | 0 | 0 | 0 | 118.8 | | |
| 17 | D | 29.6 | Very low | 33 | Very low | 161 Ų | 161 | 141.4 Ų | 141.4 | 86% | 0.861 | 79% | 0.787 | S | S | * | * | | | trans | -94.9 | -150.7 | -179.9 | -51.5 | -90 | 0 | 0 | 0 | 112 | | |
| 18 | P | 53.2 | Low | 33.5 | Very low | 119 Ų | 119 | 142.4 Ų | 142.4 | 77% | 0.773 | 78% | 0.783 | S | S | * | * | | | | -117.4 | 178.8 | -127.2 | 38.5 | -19.4 | 0 | 0 | 0 | 115.3 | | |
| 19 | P | 41 | Very low | 33.3 | Very low | 127 Ų | 127 | 142.5 Ų | 142.5 | 83% | 0.825 | 78% | 0.783 | S | S | * | * | | | trans | -131.2 | 161.2 | 154.1 | 37.5 | -24.7 | 0 | 0 | 0 | 114.5 | | |
| 20 | C | 28.7 | Very low | 33.7 | Very low | 116 Ų | 116 | 146.7 Ų | 146.7 | 78% | 0.784 | 79% | 0.791 | S | S | * | * | | | trans | -104.4 | 167.8 | 177.7 | -67.9 | 0 | 0 | 0 | 0 | 113.6 | | |
| 21 | D | 30.5 | Very low | 34.4 | Very low | 138 Ų | 138 | 143.3 Ų | 143.3 | 74% | 0.738 | 78% | 0.783 | S | S | * | * | | | trans | 61.6 | 124.6 | 151.4 | -74.8 | -52.9 | 0 | 0 | 0 | 121.8 | | |
| 22 | S | 27.6 | Very low | 34.4 | Very low | 122 Ų | 122 | 146 Ų | 146 | 85% | 0.853 | 79% | 0.789 | S | S | * | * | | | | -162.3 | 149.5 | 99.8 | 18.9 | 0 | 0 | 0 | 0 | 114.3 | | |
| 23 | L | 38.2 | Very low | 34.5 | Very low | 155 Ų | 155 | 143.4 Ų | 143.4 | 81% | 0.812 | 78% | 0.781 | S | S | * | * | | | trans | -80.9 | -172.8 | 176.9 | -72.3 | 164.8 | 0 | 0 | 0 | 110.9 | | |
| 24 | P | 44 | Very low | 34.6 | Very low | 116 Ų | 116 | 148.2 Ų | 148.2 | 75% | 0.753 | 79% | 0.791 | S | S | * | * | | | cis | -145.7 | 167 | 9.5 | 42.9 | -24 | 0 | 0 | 0 | 119 | | |
| 25 | R | 29.4 | Very low | 34.4 | Very low | 250 Ų | 250 | 148.4 Ų | 148.4 | 94% | 0.943 | 79% | 0.787 | S | S | * | * | | | | -162.4 | 122.1 | 121.1 | -114.3 | 177.8 | -177.9 | -170.3 | -0.3 | 114.4 | | |
| 26 | H | 32.1 | Very low | 35.4 | Very low | 163 Ų | 163 | 147.3 Ų | 147.3 | 76% | 0.755 | 78% | 0.782 | S | S | * | * | | | trans | -82.1 | 177.1 | 159.8 | -130.4 | -114.7 | 0 | 0 | 0 | 108.6 | | |
| 27 | P | 44.6 | Very low | 35.4 | Very low | 113 Ų | 113 | 147.9 Ų | 147.9 | 73% | 0.734 | 78% | 0.782 | S | S | * | * | | | cis | -138.5 | 163.1 | 10.9 | 41.6 | -23.8 | 0 | 0 | 0 | 118.9 | | |
| 28 | D | 40.1 | Very low | 35.6 | Very low | 129 Ų | 129 | 147.2 Ų | 147.2 | 69% | 0.69 | 78% | 0.778 | S | S | * | * | | | trans | -109.2 | 145.5 | 157 | 179.6 | 15.9 | 0 | 0 | 0 | 109.8 | | |
| 29 | R | 28.7 | Very low | 35 | Very low | 236 Ų | 236 | 146.6 Ų | 146.6 | 89% | 0.891 | 77% | 0.774 | S | S | * | * | | | trans | -168 | 102.1 | 172.1 | -116.6 | 179.6 | -173 | -157.3 | 0.8 | 115.2 | | |
| 30 | K | 34 | Very low | 34.8 | Very low | 179 Ų | 179 | 148.9 Ų | 148.9 | 78% | 0.778 | 77% | 0.774 | S | S | * | * | | | | 11.8 | 154.5 | 117.6 | -53.1 | -172.9 | -176.9 | -176 | 0 | 117.4 | | |
| 31 | P | 45.8 | Very low | 35.6 | Very low | 96 Ų | 96 | 149.7 Ų | 149.7 | 62% | 0.623 | 78% | 0.777 | S | S | * | * | | | cis | -165.8 | -176 | 45.9 | 48.1 | -26.4 | 0 | 0 | 0 | 121.6 | | |
| 32 | Y | 28.8 | Very low | 35.6 | Very low | 211 Ų | 211 | 147.1 Ų | 147.1 | 83% | 0.827 | 78% | 0.776 | S | S | * | * | | | trans | 62.4 | 159.4 | 150.1 | -63.9 | -43.8 | 0 | 0 | 0 | 119.7 | | |
| 33 | L | 30.8 | Very low | 35.7 | Very low | 142 Ų | 142 | 148.9 Ų | 148.9 | 74% | 0.743 | 78% | 0.775 | S | S | * | * | | | cis | -153 | 156.4 | -5.9 | -116.8 | 161.5 | 0 | 0 | 0 | 106.5 | | |
| 34 | L | 32 | Very low | 35.7 | Very low | 162 Ų | 162 | 150.3 Ų | 150.3 | 85% | 0.848 | 78% | 0.778 | S | S | * | * | | | | -179.3 | 173.1 | 83.7 | -121 | 142.7 | 0 | 0 | 0 | 112.2 | | |
| 35 | N | 25.7 | Very low | 36 | Very low | 141 Ų | 141 | 149.9 Ų | 149.9 | 75% | 0.754 | 78% | 0.775 | S | S | * | * | | | trans | -113 | -167.7 | -177.2 | -135.4 | 3.1 | 0 | 0 | 0 | 109 | | |
| 36 | P | 50.5 | Low | 36.2 | Very low | 101 Ų | 101 | 147.6 Ų | 147.6 | 66% | 0.656 | 77% | 0.767 | S | S | * | * | | | cis | -136.9 | -152.6 | -21.2 | 33.7 | -10.3 | 0 | 0 | 0 | 113.2 | | |
| 37 | V | 27.5 | Very low | 36.2 | Very low | 128 Ų | 128 | 148.7 Ų | 148.7 | 78% | 0.776 | 77% | 0.766 | S | S | * | * | | | trans | 109.4 | 99.4 | 153.2 | -173 | 0 | 0 | 0 | 0 | 118.8 | | |
| 38 | D | 33.9 | Very low | 35.5 | Very low | 148 Ų | 148 | 148.1 Ų | 148.1 | 79% | 0.791 | 76% | 0.761 | S | S | * | * | | | | -88.1 | 161.6 | 125 | -110.4 | -48.4 | 0 | 0 | 0 | 107.7 | | |
| 39 | P | 40.3 | Very low | 35.3 | Very low | 106 Ų | 106 | 149.5 Ų | 149.5 | 69% | 0.688 | 76% | 0.763 | S | S | * | * | | | cis | -140.1 | -171.7 | 24.2 | 42.5 | -23 | 0 | 0 | 0 | 116.7 | | |
| 40 | H | 37.6 | Very low | 35.4 | Very low | 175 Ų | 175 | 148.6 Ų | 148.6 | 81% | 0.81 | 76% | 0.76 | S | S | * | * | | | trans | -55.8 | 156.4 | 168.1 | -61.7 | -72 | 0 | 0 | 0 | 114.7 | | |
| 41 | P | 45.3 | Very low | 35.1 | Very low | 132 Ų | 132 | 146 Ų | 146 | 86% | 0.857 | 75% | 0.754 | S | S | * | * | | | | -141.2 | -172.9 | 100.9 | 38.7 | -24.2 | 0 | 0 | 0 | 115.4 | | |
| 42 | A | 31.6 | Very low | 34.4 | Very low | 85 Ų | 85 | 145.5 Ų | 145.5 | 70% | 0.702 | 75% | 0.753 | S | S | * | * | | | trans | -88.4 | 168.8 | -164.8 | 0 | 0 | 0 | 0 | 0 | 116.5 | | |
| 43 | D | 28.2 | Very low | 34.5 | Very low | 159 Ų | 159 | 143.3 Ų | 143.3 | 85% | 0.85 | 75% | 0.748 | S | S | * | * | | | | -176.4 | 155.6 | 113.2 | -94.5 | -19.3 | 0 | 0 | 0 | 115 | | |
| 44 | H | 38.9 | Very low | 34.3 | Very low | 185 Ų | 185 | 144.5 Ų | 144.5 | 86% | 0.856 | 75% | 0.75 | S | S | * | * | | | trans | -146.6 | 150.9 | 171.4 | -86.4 | -37.7 | 0 | 0 | 0 | 108.7 | | |
| 45 | P | 50.3 | Low | 34.2 | Very low | 107 Ų | 107 | 140.6 Ų | 140.6 | 70% | 0.695 | 74% | 0.741 | S | S | * | * | | | | -158.1 | 169.4 | 112.9 | 38.3 | -18.9 | 0 | 0 | 0 | 118.5 | | |
| 46 | Y | 33.9 | Very low | 34.3 | Very low | 201 Ų | 201 | 142 Ų | 142 | 79% | 0.788 | 74% | 0.743 | S | S | * | * | | | trans | 66.7 | 137.3 | 166.5 | -64.2 | -70.9 | 0 | 0 | 0 | 118.3 | | |
| 47 | Y | 31.9 | Very low | 33.2 | Very low | 187 Ų | 187 | 141.8 Ų | 141.8 | 73% | 0.733 | 74% | 0.743 | S | S | * | * | | | cis | -161.8 | -176.3 | -6 | -138.1 | 172.6 | 0 | 0 | 0 | 107.7 | | |
| 48 | T | 30 | Very low | 33.3 | Very low | 101 Ų | 101 | 144 Ų | 144 | 62% | 0.62 | 75% | 0.747 | S | S | * | * | | | cis | -150.6 | 129.2 | 4.4 | 25.9 | 0 | 0 | 0 | 0 | 107.6 | | |
| 49 | Q | 34.9 | Very low | 33.3 | Very low | 157 Ų | 157 | 143.3 Ų | 143.3 | 73% | 0.734 | 75% | 0.748 | S | S | * | * | | | | 73.7 | 101.1 | 90.9 | -162.7 | -166.5 | 19.7 | 0 | 0 | 119.1 | | |
| 50 | R | 32.6 | Very low | 33.3 | Very low | 217 Ų | 217 | 143.7 Ų | 143.7 | 82% | 0.819 | 75% | 0.75 | S | S | * | * | | | | -175.9 | 138.3 | 116.5 | -112.3 | -169.5 | 162.4 | 155.4 | -1.5 | 115 | | |
| 51 | N | 27.6 | Very low | 32.9 | Very low | 125 Ų | 125 | 145.5 Ų | 145.5 | 67% | 0.668 | 75% | 0.751 | S | S | * | * | | | trans | 45.1 | 126.2 | 157.3 | -55.8 | 10.5 | 0 | 0 | 0 | 119.7 | | |
| 52 | S | 30.7 | Very low | 32 | Very low | 85 Ų | 85 | 144.5 Ų | 144.5 | 59% | 0.594 | 75% | 0.748 | S | S | * | * | | | cis | 71.2 | 137.3 | 26.8 | 85.2 | 0 | 0 | 0 | 0 | 115.3 | | |
| 53 | F | 29.8 | Very low | 31.9 | Very low | 165 Ų | 165 | 147.7 Ų | 147.7 | 72% | 0.724 | 75% | 0.753 | S | S | * | * | | | cis | -149.2 | 154.2 | 41.8 | -80.1 | -92.9 | 0 | 0 | 0 | 116.9 | | |
| 54 | Q | 26.7 | Very low | 32 | Very low | 168 Ų | 168 | 148.6 Ų | 148.6 | 79% | 0.785 | 75% | 0.752 | S | S | * | * | | | trans | 42.4 | 140.4 | 140.9 | -65.8 | 175.5 | -63 | 0 | 0 | 121.8 | | |
| 55 | A | 29.5 | Very low | 31.7 | Very low | 80 Ų | 80 | 147.3 Ų | 147.3 | 66% | 0.661 | 75% | 0.75 | S | S | * | * | | | cis | 76.6 | 145.6 | 41 | 0 | 0 | 0 | 0 | 0 | 113.3 | | |
| 56 | E | 29.1 | Very low | 30.7 | Very low | 169 Ų | 169 | 146.2 Ų | 146.2 | 79% | 0.79 | 75% | 0.75 | S | S | * | * | | | cis | -163.1 | 178.5 | 10 | -143.8 | 174.7 | -124.1 | 0 | 0 | 112.2 | | |
| 57 | C | 26.4 | Very low | 30.4 | Very low | 98 Ų | 98 | 142.4 Ų | 142.4 | 66% | 0.662 | 75% | 0.752 | S | S | * | * | | | trans | 48.6 | 121.9 | 154 | -71.3 | 0 | 0 | 0 | 0 | 122.9 | | |
| 58 | M | 29.5 | Very low | 30.3 | Very low | 175 Ų | 175 | 138.5 Ų | 138.5 | 86% | 0.862 | 75% | 0.753 | S | S | * | * | | | | 168.8 | 155 | 114.8 | -93.1 | -66 | 167 | 0 | 0 | 114.1 | | |
| 59 | V | 33.8 | Very low | 30.3 | Very low | 132 Ų | 132 | 139.4 Ų | 139.4 | 80% | 0.8 | 76% | 0.758 | S | S | * | * | | | trans | -136.6 | 129 | 170.6 | 170.1 | 0 | 0 | 0 | 0 | 108.7 | | |
| 60 | P | 40.3 | Very low | 30.3 | Very low | 114 Ų | 114 | 141.3 Ų | 141.3 | 74% | 0.74 | 76% | 0.764 | S | S | * | * | | | | -147.1 | 156.8 | 129.1 | 36.2 | -20.3 | 0 | 0 | 0 | 116.5 | | |
| 61 | Y | 30.1 | Very low | 30.7 | Very low | 213 Ų | 213 | 136.4 Ų | 136.4 | 84% | 0.835 | 76% | 0.76 | S | S | * | * | | | trans | -17.8 | 141.1 | 158.2 | -80.6 | -103.3 | 0 | 0 | 0 | 119.1 | | |
| 62 | S | 26.2 | Very low | 30.8 | Very low | 112 Ų | 112 | 140.7 Ų | 140.7 | 78% | 0.783 | 77% | 0.767 | S | S | * | * | | | | -177.9 | 147.5 | 108.1 | -76.7 | 0 | 0 | 0 | 0 | 113.4 | | |
| 63 | D | 30 | Very low | 30.6 | Very low | 152 Ų | 152 | 147.2 Ų | 147.2 | 81% | 0.813 | 78% | 0.779 | S | S | * | * | | | trans | -77.6 | 143.3 | 165.6 | -77.4 | -67.7 | 0 | 0 | 0 | 112.2 | | |
| 64 | Q | 31 | Very low | 30.5 | Very low | 177 Ų | 177 | 147 Ų | 147 | 83% | 0.827 | 78% | 0.78 | S | S | * | * | | | trans | -162.5 | 97 | 153.9 | -120.2 | 152.4 | 102.9 | 0 | 0 | 115.4 | | |
| 65 | I | 31.6 | Very low | 30.4 | Very low | 159 Ų | 159 | 149.4 Ų | 149.4 | 82% | 0.815 | 78% | 0.783 | S | S | * | * | | | | 40.9 | 124.8 | 120.6 | -60.2 | 171.4 | 0 | 0 | 0 | 119.7 | | |
| 66 | A | 28.7 | Very low | 30.4 | Very low | 84 Ų | 84 | 152.5 Ų | 152.5 | 69% | 0.694 | 79% | 0.789 | S | S | * | * | | | trans | 80.3 | 121.8 | 149 | 0 | 0 | 0 | 0 | 0 | 122.2 | | |
| 67 | S | 28.2 | Very low | 30.4 | Very low | 120 Ų | 120 | 150 Ų | 150 | 84% | 0.839 | 79% | 0.79 | S | S | * | * | | | | 33.9 | 125.2 | 124.1 | -50.1 | 0 | 0 | 0 | 0 | 121.1 | | |
| 68 | S | 29.3 | Very low | 30.6 | Very low | 106 Ų | 106 | 154.2 Ų | 154.2 | 74% | 0.741 | 80% | 0.799 | S | S | * | * | | | | 163.7 | 130.1 | 113.7 | -171.8 | 0 | 0 | 0 | 0 | 113.6 | | |
| 69 | T | 30.6 | Very low | 30.5 | Very low | 119 Ų | 119 | 154 Ų | 154 | 73% | 0.73 | 80% | 0.796 | S | S | * | * | | | trans | 44 | 127.3 | 139.8 | -39.7 | 0 | 0 | 0 | 0 | 122.3 | | |
| 70 | F | 33.9 | Very low | 30.4 | Very low | 197 Ų | 197 | 156.4 Ų | 156.4 | 86% | 0.864 | 80% | 0.798 | S | S | * | * | | | trans | -27.5 | 148.9 | 161.9 | -63.1 | -86.5 | 0 | 0 | 0 | 117.8 | | |
| 71 | P | 42.1 | Very low | 30 | Very low | 114 Ų | 114 | 157.3 Ų | 157.3 | 74% | 0.74 | 80% | 0.796 | S | S | * | * | | | | -146.8 | 171.9 | 102.6 | 39.5 | -25.9 | 0 | 0 | 0 | 116.8 | | |
| 72 | R | 28.9 | Very low | 30 | Very low | 216 Ų | 216 | 155.1 Ų | 155.1 | 82% | 0.815 | 79% | 0.791 | S | S | * | * | | | trans | 68.9 | 115.1 | 167.7 | -108.8 | 163 | 174.4 | 152.9 | -0.9 | 115.6 | | |
| 73 | R | 27 | Very low | 30.2 | Very low | 221 Ų | 221 | 155.4 Ų | 155.4 | 83% | 0.834 | 78% | 0.784 | S | S | * | * | | | | 50.8 | 118.7 | 68.8 | -65.1 | -174.9 | 177.1 | -173 | -0.6 | 113.1 | | |
| 74 | H | 27.7 | Very low | 30.3 | Very low | 162 Ų | 162 | 156.1 Ų | 156.1 | 75% | 0.75 | 78% | 0.782 | S | S | * | * | | | | -162.8 | -169.5 | 99.7 | -99 | -71.8 | 0 | 0 | 0 | 110.8 | | |
| 75 | Y | 25.1 | Very low | 30.3 | Very low | 218 Ų | 218 | 152.2 Ų | 152.2 | 86% | 0.855 | 77% | 0.773 | S | S | * | * | | | trans | -104.7 | 171.2 | -154.5 | -124.1 | -113.1 | 0 | 0 | 0 | 114.5 | | |
| 76 | N | 28.9 | Very low | 30.2 | Very low | 145 Ų | 145 | 150 Ų | 150 | 78% | 0.775 | 77% | 0.768 | S | S | * | * | | | trans | -50.8 | 152.5 | 166.1 | -52.6 | -13.4 | 0 | 0 | 0 | 112.7 | | |
| 77 | S | 28.8 | Very low | 30.3 | Very low | 115 Ų | 115 | 153 Ų | 153 | 80% | 0.804 | 77% | 0.771 | S | S | * | * | | | | -147.4 | 127.3 | 127.9 | 51.2 | 0 | 0 | 0 | 0 | 110.9 | | |
| 78 | H | 30.1 | Very low | 30.2 | Very low | 188 Ų | 188 | 153.2 Ų | 153.2 | 87% | 0.87 | 77% | 0.767 | S | S | * | * | | | trans | -69.8 | 149.6 | 149.9 | -118.1 | -114.3 | 0 | 0 | 0 | 107.2 | | |
| 79 | H | 27.6 | Very low | 30.9 | Very low | 169 Ų | 169 | 153.2 Ų | 153.2 | 78% | 0.782 | 77% | 0.765 | S | S | * | * | | | trans | -101.1 | 119.1 | 176.8 | -168.6 | 39.8 | 0 | 0 | 0 | 109.3 | | |
| 80 | E | 32.4 | Very low | 30.8 | Very low | 183 Ų | 183 | 156.7 Ų | 156.7 | 86% | 0.855 | 77% | 0.772 | S | S | * | * | | | trans | -146.1 | 149.3 | 167.7 | -150.5 | 157.7 | -146.4 | 0 | 0 | 109.2 | | |
| 81 | L | 32.6 | Very low | 30.5 | Very low | 134 Ų | 134 | 150.3 Ų | 150.3 | 70% | 0.702 | 76% | 0.762 | S | S | * | * | | | trans | -89.1 | 167.8 | -175.4 | -60.1 | 158.2 | 0 | 0 | 0 | 108.5 | | |
| 82 | K | 30.1 | Very low | 29.8 | Very low | 167 Ų | 167 | 152 Ų | 152 | 73% | 0.726 | 77% | 0.77 | S | S | * | * | | | cis | -164.5 | 151.4 | 24.6 | -159 | 162.7 | 179.9 | -172.8 | 0 | 112.3 | | |
| 83 | D | 30.2 | Very low | 29.8 | Very low | 118 Ų | 118 | 145.9 Ų | 145.9 | 63% | 0.631 | 77% | 0.766 | S | S | * | * | | | trans | 7.6 | 146.6 | 148 | -35.5 | -27.7 | 0 | 0 | 0 | 119.7 | | |
| 84 | E | 32.5 | Very low | 29.9 | Very low | 166 Ų | 166 | 142.3 Ų | 142.3 | 78% | 0.776 | 76% | 0.764 | S | S | * | * | | | cis | -168.3 | 161.3 | -4.7 | -125.7 | -164.9 | 115.9 | 0 | 0 | 111.9 | | |
| 85 | C | 30.5 | Very low | 30.1 | Very low | 95 Ų | 95 | 143 Ų | 143 | 64% | 0.642 | 77% | 0.765 | S | S | * | * | | | trans | 48.4 | 148.5 | 143.2 | -72.2 | 0 | 0 | 0 | 0 | 123.2 | | |
| 86 | T | 30.1 | Very low | 30.4 | Very low | 113 Ų | 113 | 138.3 Ų | 138.3 | 69% | 0.693 | 76% | 0.758 | S | S | * | * | | | cis | -166 | 162 | 7.7 | 2 | 0 | 0 | 0 | 0 | 114.1 | | |
| 87 | L | 30.5 | Very low | 30.5 | Very low | 148 Ų | 148 | 138.3 Ų | 138.3 | 78% | 0.775 | 76% | 0.759 | S | S | * | * | | | trans | 64.9 | 125.9 | 152.2 | -62.3 | 159.3 | 0 | 0 | 0 | 119.4 | | |
| 88 | V | 26.3 | Very low | 30.8 | Very low | 124 Ų | 124 | 143.4 Ų | 143.4 | 75% | 0.752 | 76% | 0.76 | S | S | * | * | | | cis | 73.5 | 134.6 | 33.5 | -176.3 | 0 | 0 | 0 | 0 | 112.6 | | |
| 89 | P | 43.1 | Very low | 31.1 | Very low | 106 Ų | 106 | 142 Ų | 142 | 69% | 0.688 | 76% | 0.757 | S | S | * | * | | | cis | -137.6 | -170.1 | 20.5 | 23.9 | 4.1 | 0 | 0 | 0 | 118.6 | | |
| 90 | H | 27.5 | Very low | 31.1 | Very low | 192 Ų | 192 | 142.6 Ų | 142.6 | 89% | 0.889 | 76% | 0.76 | S | S | * | * | | | trans | 1 | 157.1 | 155.6 | -47.9 | -61.2 | 0 | 0 | 0 | 122.5 | | |
| 91 | G | 28.1 | Very low | 31.1 | Very low | 62 Ų | 62 | 137.4 Ų | 137.4 | 64% | 0.639 | 75% | 0.748 | S | S | * | * | | | cis | 161.8 | 169 | -3.2 | 0 | 0 | 0 | 0 | 0 | 115.3 | | |
| 92 | T | 27.5 | Very low | 31.2 | Very low | 149 Ų | 149 | 138.6 Ų | 138.6 | 91% | 0.914 | 76% | 0.755 | S | S | * | * | | | trans | 67.6 | 123.4 | 163.1 | 55.4 | 0 | 0 | 0 | 0 | 124.3 | | |
| 93 | A | 29.9 | Very low | 31.4 | Very low | 89 Ų | 89 | 137.7 Ų | 137.7 | 74% | 0.736 | 76% | 0.758 | S | S | * | * | | | trans | 86.7 | 117.1 | 132.3 | 0 | 0 | 0 | 0 | 0 | 125.2 | | |
| 94 | N | 28.4 | Very low | 31.8 | Very low | 146 Ų | 146 | 140.7 Ų | 140.7 | 78% | 0.781 | 77% | 0.773 | S | S | * | * | | | trans | 83.9 | 119 | 133.6 | -77.2 | -30.2 | 0 | 0 | 0 | 125 | | |
| 95 | K | 31.4 | Very low | 32 | Very low | 177 Ų | 177 | 139.7 Ų | 139.7 | 77% | 0.77 | 77% | 0.773 | S | S | * | * | | | trans | 81 | 99.2 | 138.4 | -67 | -177.3 | 179.9 | -179.6 | 0 | 122.8 | | |
| 96 | T | 32.2 | Very low | 32.1 | Very low | 118 Ų | 118 | 142.9 Ų | 142.9 | 72% | 0.724 | 78% | 0.778 | S | S | * | * | | | | 56.7 | 104.3 | 129.8 | 60.2 | 0 | 0 | 0 | 0 | 121.4 | | |
| 97 | N | 31.2 | Very low | 32.1 | Very low | 146 Ų | 146 | 147.6 Ų | 147.6 | 78% | 0.781 | 79% | 0.789 | S | S | * | * | | | | 170 | 151.4 | 100 | -94.6 | -61.3 | 0 | 0 | 0 | 115.3 | | |
| 98 | R | 33.7 | Very low | 32.1 | Very low | 222 Ų | 222 | 147.6 Ų | 147.6 | 84% | 0.838 | 79% | 0.785 | S | S | * | * | | | trans | 58.3 | 91.8 | 156.6 | -68 | 179.2 | 178.1 | 171.8 | -0.9 | 121.2 | | |
| 99 | I | 36.3 | Very low | 32.3 | Very low | 157 Ų | 157 | 151 Ų | 151 | 81% | 0.805 | 79% | 0.785 | S | S | * | * | | | | 37.6 | 114.7 | 120.2 | -53.2 | 161 | 0 | 0 | 0 | 118.6 | | |
| 100 | H | 28.1 | Very low | 31.8 | Very low | 183 Ų | 183 | 153.3 Ų | 153.3 | 85% | 0.847 | 79% | 0.787 | S | S | * | * | | | | -154.2 | 166.7 | 108.5 | -139.7 | -94.9 | 0 | 0 | 0 | 113.6 | | |
| 101 | A | 32.7 | Very low | 32.4 | Very low | 73 Ų | 73 | 151 Ų | 151 | 60% | 0.603 | 78% | 0.78 | S | S | * | * | | | trans | -47.7 | 123.6 | -164.7 | 0 | 0 | 0 | 0 | 0 | 118.4 | | |
| 102 | N | 35 | Very low | 33 | Very low | 160 Ų | 160 | 153.3 Ų | 153.3 | 86% | 0.856 | 78% | 0.783 | S | S | * | * | | | | -165.9 | 129 | 112.5 | -101.2 | -21.2 | 0 | 0 | 0 | 110.4 | | |
| 103 | L | 33.2 | Very low | 33.2 | Very low | 147 Ų | 147 | 152.8 Ų | 152.8 | 77% | 0.77 | 77% | 0.774 | S | S | * | * | | | trans | -148.3 | 84.4 | 173.9 | -103.8 | 174.6 | 0 | 0 | 0 | 110.4 | | |
| 104 | L | 38.6 | Very low | 33.2 | Very low | 182 Ų | 182 | 155.6 Ų | 155.6 | 95% | 0.953 | 78% | 0.777 | S | S | * | * | S | Bend | trans | -137.7 | 43.6 | 162.9 | -161.9 | 80.2 | 0 | 0 | 0 | 110.8 | | |
| 105 | D | 38.7 | Very low | 33.4 | Very low | 145 Ų | 145 | 160.6 Ų | 160.6 | 78% | 0.775 | 79% | 0.785 | S | S | * | * | S | Bend | trans | -166.5 | 102.2 | 150.4 | -177.3 | 27.3 | 0 | 0 | 0 | 110.1 | | |
| 106 | Q | 32.5 | Very low | 33.4 | Very low | 162 Ų | 162 | 159.8 Ų | 159.8 | 76% | 0.757 | 79% | 0.789 | S | S | * | * | | | trans | 176.9 | 86.4 | 152.6 | -108 | -171.6 | 5.3 | 0 | 0 | 110 | | |
| 107 | F | 28.3 | Very low | 33.5 | Very low | 211 Ų | 211 | 157.6 Ų | 157.6 | 93% | 0.925 | 79% | 0.79 | S | S | * | * | | | trans | -162.5 | 50.7 | 156 | -110.5 | -57.4 | 0 | 0 | 0 | 114.9 | | |
| 108 | E | 30.9 | Very low | 33.6 | Very low | 148 Ų | 148 | 161 Ų | 161 | 69% | 0.692 | 79% | 0.794 | S | S | * | * | | | trans | -148.3 | 144.3 | 151.1 | -116.4 | -158.1 | 99.6 | 0 | 0 | 112.6 | | |
| 109 | R | 31.8 | Very low | 33.7 | Very low | 195 Ų | 195 | 159.5 Ų | 159.5 | 74% | 0.736 | 80% | 0.795 | S | S | * | * | | | trans | 75.1 | 131.6 | 165.9 | -65.7 | 158.1 | -158.3 | -141.5 | 0.2 | 115.2 | | |
| 110 | Q | 32.7 | Very low | 33.6 | Very low | 156 Ų | 156 | 157.7 Ų | 157.7 | 73% | 0.729 | 79% | 0.792 | S | S | * | * | | | cis | -158.3 | 139.2 | 14 | -113.5 | 160.2 | 22.6 | 0 | 0 | 114.8 | | |
| 111 | L | 39.8 | Very low | 33.9 | Very low | 144 Ų | 144 | 157.3 Ų | 157.3 | 75% | 0.754 | 80% | 0.795 | S | S | * | * | | | trans | 66.1 | 171.1 | 140.1 | -67.1 | 169.7 | 0 | 0 | 0 | 119.4 | | |
| 112 | P | 39.6 | Very low | 34.2 | Very low | 109 Ų | 109 | 162.6 Ų | 162.6 | 71% | 0.708 | 81% | 0.807 | S | S | * | * | | | cis | -134.4 | 158.3 | 6.8 | 39 | -20.3 | 0 | 0 | 0 | 119.9 | | |
| 113 | L | 32.3 | Very low | 34 | Very low | 138 Ų | 138 | 166.1 Ų | 166.1 | 72% | 0.723 | 81% | 0.81 | S | S | * | * | | | trans | 46.9 | 132.1 | 149 | -78.3 | 86.2 | 0 | 0 | 0 | 125.2 | | |
| 114 | N | 30.1 | Very low | 34 | Very low | 148 Ų | 148 | 169.2 Ų | 169.2 | 79% | 0.791 | 82% | 0.818 | S | S | * | * | | | trans | 71.6 | 112 | 141.5 | -74.3 | -15.6 | 0 | 0 | 0 | 123.1 | | |
| 115 | R | 31.8 | Very low | 33.8 | Very low | 252 Ų | 252 | 171.6 Ų | 171.6 | 95% | 0.951 | 81% | 0.814 | S | S | * | * | | | | -162.2 | 138.8 | 126.4 | -131.9 | 178.1 | -176.6 | 179.3 | 0.8 | 113.5 | | |
| 116 | D | 32.5 | Very low | 33.6 | Very low | 160 Ų | 160 | 171.2 Ų | 171.2 | 86% | 0.856 | 82% | 0.817 | S | S | * | * | | | trans | -82.8 | 149.6 | 160.9 | -85.8 | -55.5 | 0 | 0 | 0 | 110.9 | | |
| 117 | G | 33.2 | Very low | 33.6 | Very low | 72 Ų | 72 | 167.6 Ų | 167.6 | 74% | 0.742 | 82% | 0.815 | S | S | * | * | | | trans | 165.8 | 103.9 | 172.9 | 0 | 0 | 0 | 0 | 0 | 114.7 | | |
| 118 | Y | 33.9 | Very low | 33.7 | Very low | 218 Ų | 218 | 164.5 Ų | 164.5 | 86% | 0.855 | 81% | 0.805 | S | S | * | * | | | trans | -72.2 | 150.9 | 173.1 | -67.5 | -104.7 | 0 | 0 | 0 | 111.8 | | |
| 119 | H | 36.4 | Very low | 33.9 | Very low | 189 Ų | 189 | 164.9 Ų | 164.9 | 88% | 0.875 | 81% | 0.807 | S | S | * | * | | | trans | -153.2 | 145 | 137.5 | -109.9 | 67.3 | 0 | 0 | 0 | 112 | | |
| 120 | T | 33.1 | Very low | 34.2 | Very low | 119 Ų | 119 | 161.7 Ų | 161.7 | 73% | 0.73 | 80% | 0.8 | S | S | * | * | P | Polyproline II helix | trans | -55.1 | 139.5 | -165.5 | 51.6 | 0 | 0 | 0 | 0 | 118.1 | | |
| 121 | L | 35.8 | Very low | 35.1 | Very low | 175 Ų | 175 | 166.4 Ų | 166.4 | 92% | 0.916 | 81% | 0.811 | S | S | * | * | P | Polyproline II helix | trans | -87.4 | 134.5 | 153.1 | -78.7 | 170.9 | 0 | 0 | 0 | 110.6 | | |
| 122 | Q | 39 | Very low | 35.1 | Very low | 184 Ų | 184 | 162.3 Ų | 162.3 | 86% | 0.86 | 79% | 0.794 | S | S | * | * | P | Polyproline II helix | trans | -95.9 | 143.1 | 167.6 | -70.4 | -174.1 | -6.9 | 0 | 0 | 110.8 | | |
| 123 | Y | 30.6 | Very low | 35.9 | Very low | 235 Ų | 235 | 164.1 Ų | 164.1 | 92% | 0.922 | 80% | 0.798 | S | S | * | * | P | Polyproline II helix | trans | -72.7 | 135.7 | 177.9 | -84 | -97.7 | 0 | 0 | 0 | 112.6 | | |
| 124 | K | 31.4 | Very low | 36.9 | Very low | 212 Ų | 212 | 160.6 Ų | 160.6 | 92% | 0.922 | 79% | 0.785 | S | S | * | * | | | trans | -120 | 146.9 | 150.1 | -120.4 | -178.9 | -179.5 | -179.2 | 0 | 109.1 | | |
| 125 | R | 35.6 | Very low | 38.1 | Very low | 232 Ų | 232 | 157.9 Ų | 157.9 | 88% | 0.875 | 78% | 0.775 | S | S | * | * | | | trans | -131.4 | 118 | -162.7 | -178.9 | -159.4 | -66.3 | -169.9 | -0.6 | 112.7 | | |
| 126 | T | 33.4 | Very low | 39.9 | Very low | 136 Ų | 136 | 146.8 Ų | 146.8 | 83% | 0.834 | 74% | 0.74 | S | S | * | * | | | trans | -153.9 | 113.2 | 157.9 | 43.2 | 0 | 0 | 0 | 0 | 105.1 | | |
| 127 | A | 32.9 | Very low | 41.7 | Very low | 87 Ų | 87 | 147.4 Ų | 147.4 | 72% | 0.719 | 73% | 0.73 | S | S | * | * | | | | 57 | 128.6 | 62 | 0 | 0 | 0 | 0 | 0 | 111.4 | | |
| 128 | M | 31.9 | Very low | 43.4 | Very low | 145 Ų | 145 | 149.1 Ų | 149.1 | 71% | 0.714 | 72% | 0.721 | S | S | * | * | | | cis | -146.4 | 175.2 | 9.8 | -141.2 | 134.1 | 146.1 | 0 | 0 | 107.5 | | |
| 129 | E | 33.8 | Very low | 45.3 | Very low | 157 Ų | 157 | 146 Ų | 146 | 73% | 0.734 | 71% | 0.708 | S | S | * | * | | | cis | -152.1 | 121.1 | 22.9 | -178 | 136.1 | -138.5 | 0 | 0 | 113.9 | | |
| 130 | H | 38.7 | Very low | 47.1 | Very low | 128 Ų | 128 | 143.6 Ų | 143.6 | 59% | 0.593 | 70% | 0.697 | S | S | * | * | | | trans | 20.9 | 105.8 | 154.1 | -62.1 | -68.8 | 0 | 0 | 0 | 122.7 | | |
| 131 | R | 50.6 | Low | 49.4 | Very low | 255 Ų | 255 | 143.5 Ų | 143.5 | 96% | 0.962 | 69% | 0.691 | S | S | * | * | | | | -65.6 | 135.6 | 124.6 | -70.7 | -174.3 | 174.8 | -145.6 | -0.8 | 108.9 | | |
| 132 | S | 40.4 | Very low | 51.3 | Low | 57 Ų | 57 | 136.9 Ų | 136.9 | 40% | 0.399 | 66% | 0.658 | S | S | . | * | | | trans | -153 | 84.6 | 179.4 | 50.4 | 0 | 0 | 0 | 0 | 113.6 | S134 | S132-S134 PolarHBondContact O-N 2.91Š|
| 133 | D | 57.5 | Low | 52.8 | Low | 147 Ų | 147 | 133.6 Ų | 133.6 | 79% | 0.786 | 64% | 0.642 | S | S | * | * | | | trans | -76.2 | 67.7 | 155.5 | -89.1 | -47.4 | 0 | 0 | 0 | 109.9 | | |
| 134 | S | 52.8 | Low | 55.1 | Low | 64 Ų | 64 | 125.9 Ų | 125.9 | 45% | 0.448 | 62% | 0.623 | S | S | . | * | | | trans | -76.6 | 139.7 | 173.8 | -65.5 | 0 | 0 | 0 | 0 | 110.3 | S132 G136 R137 | S132-S134 PolarHBondContact O-N 2.91Å; S134-G136 PolarHBondContact O-N 2.59Å; S134-R137 WeakPolarHBondContact O-CB 3.45Å; S134-R137 PolarHBondContact O-N 3.23Å |
| 135 | P | 55.6 | Low | 57.4 | Low | 91 Ų | 91 | 117.4 Ų | 117.4 | 59% | 0.591 | 59% | 0.588 | S | S | * | * | H | α-helix | trans | -58 | -4.5 | 175.6 | -27.9 | 35.8 | 0 | 0 | 0 | 116.1 | R139 | P135-R139 WeakPolarHBondContact O-CG 3.39Å; P135-R139 PolarHBondContact O-N 3.11Å; P135-R139 PolarHBondContact O-NE 3.38Å |
| 136 | G | 68.7 | Low | 59.2 | Low | 20 Ų | 20 | 109.3 Ų | 109.3 | 21% | 0.206 | 56% | 0.561 | C | S | . | * | H | α-helix | trans | -68 | -39.9 | 164.3 | 0 | 0 | 0 | 0 | 0 | 113 | S134 I138 R139 H140 | S134-G136 PolarHBondContact O-N 2.59Å; G136-I138 PolarHBondContact O-N 2.93Å; G136-R139 PolarHBondContact O-N 3.16Å; G136-H140 PolarHBondContact O-CD2 2.88Å; G136-H140 PolarHBondContact O-N 2.96Å |
| 137 | R | 70.6 | Confident | 61 | Low | 173 Ų | 173 | 109.6 Ų | 109.6 | 65% | 0.653 | 55% | 0.55 | S | S | * | * | H | α-helix | trans | -64.8 | -43.1 | -175.9 | -140.2 | 175.5 | -169.6 | -179.5 | 2.8 | 111.7 | S134 H140 L141 | S134-R137 WeakPolarHBondContact O-CB 3.45Å; S134-R137 PolarHBondContact O-N 3.23Å; R137-H140 PolarHBondContact O-N 3.26Å; R137-L141 PolarHBondContact O-N 3.21Å |
| 138 | I | 69.6 | Low | 62.7 | Low | 107 Ų | 107 | 109.3 Ų | 109.3 | 55% | 0.549 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -61.4 | -45.7 | 173 | -59.7 | 171.9 | 0 | 0 | 0 | 110.7 | G136 H140 L141 V142 | G136-I138 PolarHBondContact O-N 2.93Å; I138-H140 PolarHBondContact O-N 3.42Å; I138-L141 WeakPolarHBondContact O-CB 3.24Å; I138-L141 PolarHBondContact O-N 3.34Å; I138-V142 HydrophobicContact CG2-CG2 4.43Å; I138-V142 WeakPolarHBondContact O-CB 3.41Å; I138-V142 WeakPolarHBondContact O-CG2 3.37Å; I138-V142 PolarHBondContact O-N 2.99Å |
| 139 | R | 73.4 | Confident | 64 | Low | 154 Ų | 154 | 106.8 Ų | 106.8 | 58% | 0.581 | 52% | 0.521 | S | S | * | . | H | α-helix | trans | -63.9 | -38.6 | 177.2 | -76.1 | -179.5 | -69.9 | 166.4 | 0.4 | 113 | P135 G136 H143 | P135-R139 WeakPolarHBondContact O-CG 3.39Å; P135-R139 PolarHBondContact O-N 3.11Å; P135-R139 PolarHBondContact O-NE 3.38Å; G136-R139 PolarHBondContact O-N 3.16Å; R139-H143 VanDerWaalsContact O-CB 3.28Å; R139-H143 WeakPolarHBondContact O-CB 3.38Å; R139-H143 PolarHBondContact O-N 3.03Å |
| 140 | H | 73.9 | Confident | 64.8 | Low | 137 Ų | 137 | 104.5 Ų | 104.5 | 63% | 0.634 | 52% | 0.519 | S | S | * | . | H | α-helix | trans | -67.9 | -38.3 | 174.4 | -75 | -62.9 | 0 | 0 | 0 | 112.7 | G136 R137 I138 S144 | G136-H140 PolarHBondContact O-CD2 2.88Å; G136-H140 PolarHBondContact O-N 2.96Å; R137-H140 PolarHBondContact O-N 3.26Å; I138-H140 PolarHBondContact O-N 3.42Å; H140-S144 WeakPolarHBondContact O-CB 3.34Å; H140-S144 PolarHBondContact O-N 3.39Å; H140-S144 PolarHBondContact O-OG 3.31Å |
| 141 | L | 81.8 | Confident | 65.1 | Low | 118 Ų | 118 | 106.8 Ų | 106.8 | 62% | 0.618 | 53% | 0.527 | S | S | * | . | H | α-helix | trans | -59.7 | -57 | 172.2 | -174.2 | 67.6 | 0 | 0 | 0 | 110 | R137 I138 H143 S144 V145 | R137-L141 PolarHBondContact O-N 3.21Å; I138-L141 WeakPolarHBondContact O-CB 3.24Å; I138-L141 PolarHBondContact O-N 3.34Å; L141-H143 VanDerWaalsContact C-N 3.34Å; L141-H143 PolarHBondContact O-N 2.94Å; L141-S144 PolarHBondContact O-N 3.02Å; L141-S144 VanDerWaalsContact O-N 3.16Å; L141-V145 HydrophobicContact CD1-CG2 4.37Å; L141-V145 HydrophobicContact CG-CG2 4.46Å; L141-V145 VanDerWaalsContact O-CB 3.28Å; L141-V145 WeakPolarHBondContact O-CB 3.5Å; L141-V145 WeakPolarHBondContact O-CG2 3.28Å; L141-V145 PolarHBondContact O-N 3.31Å |
| 142 | V | 75.6 | Confident | 64.8 | Low | 35 Ų | 35 | 98.7 Ų | 98.7 | 21% | 0.212 | 51% | 0.509 | C | S | . | . | H | α-helix | trans | -55.3 | -45.1 | 179.6 | 170.2 | 0 | 0 | 0 | 0 | 112.1 | I138 V145 Q146 E237 A238 | I138-V142 HydrophobicContact CG2-CG2 4.43Å; I138-V142 WeakPolarHBondContact O-CB 3.41Å; I138-V142 WeakPolarHBondContact O-CG2 3.37Å; I138-V142 PolarHBondContact O-N 2.99Å; V142-V145 PolarHBondContact O-N 3.28Å; V142-Q146 WeakPolarHBondContact O-CB 3.4Å; V142-Q146 PolarHBondContact O-N 3.33Å; V142-E237 HydrophobicContact CG1-CB 4.24Å; V142-E237 HydrophobicContact CG1-CG 3.92Å; V142-A238 VanDerWaalsContact CG1-N 3.35Å |
| 143 | H | 71 | Confident | 65 | Low | 115 Ų | 115 | 104.5 Ų | 104.5 | 53% | 0.532 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -72.1 | -30.4 | -179 | -163.5 | -22.6 | 0 | 0 | 0 | 113.2 | R139 L141 K147 | R139-H143 VanDerWaalsContact O-CB 3.28Å; R139-H143 WeakPolarHBondContact O-CB 3.38Å; R139-H143 PolarHBondContact O-N 3.03Å; L141-H143 VanDerWaalsContact C-N 3.34Å; L141-H143 PolarHBondContact O-N 2.94Å; H143-K147 PolarHBondContact O-N 3.44Å |
| 144 | S | 77.5 | Confident | 64.6 | Low | 74 Ų | 74 | 102.2 Ų | 102.2 | 52% | 0.517 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -70 | -41.8 | 173.7 | -55.8 | 0 | 0 | 0 | 0 | 110.9 | H140 L141 K147 L148 | H140-S144 WeakPolarHBondContact O-CB 3.34Å; H140-S144 PolarHBondContact O-N 3.39Å; H140-S144 PolarHBondContact O-OG 3.31Å; L141-S144 PolarHBondContact O-N 3.02Å; L141-S144 VanDerWaalsContact O-N 3.16Å; S144-K147 WeakPolarHBondContact O-CB 3.47Å; S144-K147 PolarHBondContact O-N 2.96Å; S144-K147 VanDerWaalsContact O-N 3.15Å; S144-L148 PolarHBondContact O-N 3.43Å |
| 145 | V | 79.8 | Confident | 64.2 | Low | 33 Ų | 33 | 106.6 Ų | 106.6 | 20% | 0.2 | 54% | 0.543 | C | S | . | . | H | α-helix | trans | -66.1 | -38.5 | 177.2 | 170.4 | 0 | 0 | 0 | 0 | 110.8 | L141 V142 K147 L148 Y239 N240 | L141-V145 HydrophobicContact CD1-CG2 4.37Å; L141-V145 HydrophobicContact CG-CG2 4.46Å; L141-V145 VanDerWaalsContact O-CB 3.28Å; L141-V145 WeakPolarHBondContact O-CB 3.5Å; L141-V145 WeakPolarHBondContact O-CG2 3.28Å; L141-V145 PolarHBondContact O-N 3.31Å; V142-V145 PolarHBondContact O-N 3.28Å; V145-K147 VanDerWaalsContact C-N 3.27Å; V145-K147 PolarHBondContact O-N 3.46Å; V145-L148 PolarHBondContact O-N 3.13Å; V145-Y239 CarbonylContact O-C 3.52Å; V145-N240 PolarHBondContact O-N 2.98Å; V145-N240 VanDerWaalsContact O-N 3.11Å; V145-N240 VanDerWaalsContact O-O 3.1Å |
| 146 | Q | 74.8 | Confident | 63.2 | Low | 63 Ų | 63 | 110.7 Ų | 110.7 | 29% | 0.294 | 55% | 0.554 | S | S | . | * | H | α-helix | trans | -63.7 | -28 | 171.4 | -164.3 | 149 | 34.4 | 0 | 0 | 113.8 | V142 T150 E237 A238 | V142-Q146 WeakPolarHBondContact O-CB 3.4Å; V142-Q146 PolarHBondContact O-N 3.33Å; Q146-T150 PolarHBondContact O-N 3.22Å; Q146-T150 PolarHBondContact O-OG1 3.04Å; Q146-E237 VanDerWaalsContact NE2-C 3.29Å; Q146-E237 PolarHBondContact NE2-O 3.09Å; Q146-E237 VanDerWaalsContact OE1-C 3.24Å; Q146-A238 VanDerWaalsContact CA-O 3.3Å; Q146-A238 WeakPolarHBondContact CA-O 3.44Å; Q146-A238 WeakPolarHBondContact CB-O 3.31Å; Q146-A238 WeakPolarHBondContact CG-O 3.34Å; Q146-A238 PolarHBondContact NE2-O 2.62Å |
| 147 | K | 69.9 | Low | 61.5 | Low | 141 Ų | 141 | 113 Ų | 113 | 61% | 0.613 | 58% | 0.578 | S | S | * | * | H | α-helix | trans | -77.7 | -18.4 | 175.3 | -94.3 | -175.8 | 173.1 | -180 | 0 | 114.4 | H143 S144 V145 T150 | H143-K147 PolarHBondContact O-N 3.44Å; S144-K147 WeakPolarHBondContact O-CB 3.47Å; S144-K147 PolarHBondContact O-N 2.96Å; S144-K147 VanDerWaalsContact O-N 3.15Å; V145-K147 VanDerWaalsContact C-N 3.27Å; V145-K147 PolarHBondContact O-N 3.46Å; K147-T150 WeakPolarHBondContact CA-OG1 3.28Å |
| 148 | L | 69.3 | Low | 59.9 | Low | 81 Ų | 81 | 110.9 Ų | 110.9 | 42% | 0.424 | 59% | 0.587 | S | S | . | * | H | α-helix | trans | -75.7 | -43.3 | 172 | -77.7 | 160 | 0 | 0 | 0 | 110.5 | S144 V145 K151 S152 N240 | S144-L148 PolarHBondContact O-N 3.43Å; V145-L148 PolarHBondContact O-N 3.13Å; L148-K151 PolarHBondContact O-N 3.39Å; L148-K151 VanDerWaalsContact O-N 3.14Å; L148-S152 PolarHBondContact O-N 3.3Å; L148-N240 VanDerWaalsContact CB-O 3.31Å; L148-N240 WeakPolarHBondContact CB-O 3.2Å |
| 149 | F | 58.8 | Low | 58.4 | Low | 92 Ų | 92 | 111.3 Ų | 111.3 | 40% | 0.404 | 60% | 0.599 | S | S | . | * | H | α-helix | trans | -75 | -26.1 | -177.1 | -96.3 | -128.7 | 0 | 0 | 0 | 115 | K151 S152 Y239 N240 T241 | F149-K151 PolarHBondContact O-N 3.01Å; F149-S152 PolarHBondContact O-OG 3.49Å; F149-Y239 WeakPolarHBondContact CB-O 3.38Å; F149-N240 HydrophobicContact CD1-CB 3.86Å; F149-N240 HydrophobicContact CD2-CB 3.56Å; F149-N240 WeakPolarHBondContact CD2-O 3.24Å; F149-N240 HydrophobicContact CE1-CB 3.61Å; F149-N240 VanDerWaalsContact CE2-C 3.47Å; F149-N240 HydrophobicContact CE2-CB 3.35Å; F149-N240 HydrophobicContact CG-CB 3.85Å; F149-N240 VanDerWaalsContact CG-N 3.34Å; F149-N240 HydrophobicContact CZ-CB 3.37Å; F149-T241 VanDerWaalsContact CE2-OG1 3.22Å; F149-T241 WeakPolarHBondContact CE2-OG1 3.3Å |
| 150 | T | 50.2 | Low | 56.5 | Low | 110 Ų | 110 | 114.1 Ų | 114.1 | 68% | 0.675 | 62% | 0.616 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -77.6 | -6.4 | 170.8 | 41.2 | 0 | 0 | 0 | 0 | 113.3 | Q146 K147 | Q146-T150 PolarHBondContact O-N 3.22Å; Q146-T150 PolarHBondContact O-OG1 3.04Å; K147-T150 WeakPolarHBondContact CA-OG1 3.28Å |
| 151 | K | 44.7 | Very low | 54.4 | Low | 175 Ų | 175 | 111 Ų | 111 | 76% | 0.761 | 62% | 0.621 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -112 | -19 | -178.4 | -154 | -177.4 | -179.1 | -167.6 | 0 | 114.2 | L148 F149 | L148-K151 PolarHBondContact O-N 3.39Å; L148-K151 VanDerWaalsContact O-N 3.14Å; F149-K151 PolarHBondContact O-N 3.01Å |
| 152 | S | 44.9 | Very low | 51.8 | Low | 86 Ų | 86 | 111 Ų | 111 | 60% | 0.601 | 63% | 0.631 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -78.2 | -14.7 | 178.3 | 53.7 | 0 | 0 | 0 | 0 | 114.6 | L148 F149 S154 | L148-S152 PolarHBondContact O-N 3.3Å; F149-S152 PolarHBondContact O-OG 3.49Å; S152-S154 PolarHBondContact O-N 3.17Å |
| 153 | H | 44.5 | Very low | 49.9 | Very low | 179 Ų | 179 | 116.1 Ų | 116.1 | 83% | 0.829 | 66% | 0.662 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -92 | 13.2 | -171.6 | -133.9 | -49 | 0 | 0 | 0 | 115.3 | | |
| 154 | S | 48.8 | Very low | 47.8 | Very low | 99 Ų | 99 | 118.3 Ų | 118.3 | 69% | 0.692 | 68% | 0.678 | S | S | * | * | | | trans | -145 | 72.7 | -170.6 | 174.9 | 0 | 0 | 0 | 0 | 113.6 | S152 | S152-S154 PolarHBondContact O-N 3.17Š|
| 155 | L | 44.5 | Very low | 45.4 | Very low | 155 Ų | 155 | 118.8 Ų | 118.8 | 81% | 0.812 | 69% | 0.694 | S | S | * | * | | | trans | -160.6 | 165.4 | 154.4 | -108.4 | 163.8 | 0 | 0 | 0 | 109.8 | | |
| 156 | E | 34 | Very low | 43.1 | Very low | 177 Ų | 177 | 122.8 Ų | 122.8 | 83% | 0.827 | 72% | 0.723 | S | S | * | * | | | trans | 54.8 | 111 | -167.7 | -91.9 | 51.6 | -115.1 | 0 | 0 | 114.9 | | |
| 157 | G | 33.5 | Very low | 40.9 | Very low | 69 Ų | 69 | 130 Ų | 130 | 71% | 0.711 | 75% | 0.753 | S | S | * | * | | | cis | -170.8 | -147.6 | 2.9 | 0 | 0 | 0 | 0 | 0 | 109.4 | | |
| 158 | P | 36.8 | Very low | 38.8 | Very low | 128 Ų | 128 | 128.2 Ų | 128.2 | 83% | 0.831 | 77% | 0.765 | S | S | * | * | | | cis | -124 | 163.2 | 3.8 | 41 | -27.9 | 0 | 0 | 0 | 114.7 | | |
| 159 | S | 38.1 | Very low | 36.6 | Very low | 117 Ų | 117 | 129.8 Ų | 129.8 | 82% | 0.818 | 78% | 0.783 | S | S | * | * | | | trans | -91.3 | 149.4 | 164.7 | 58.4 | 0 | 0 | 0 | 0 | 111.9 | | |
| 160 | K | 33.8 | Very low | 35.8 | Very low | 212 Ų | 212 | 130.4 Ų | 130.4 | 92% | 0.922 | 80% | 0.797 | S | S | * | * | | | trans | -159 | 140.9 | 170 | -109.3 | -175 | -176.6 | 179.6 | 0 | 112.3 | | |
| 161 | G | 31 | Very low | 34.6 | Very low | 73 Ų | 73 | 133.6 Ų | 133.6 | 75% | 0.753 | 80% | 0.804 | S | S | * | * | | | trans | 93.2 | 91.6 | 178.1 | 0 | 0 | 0 | 0 | 0 | 112.1 | | |
| 162 | S | 27.2 | Very low | 33.6 | Very low | 118 Ų | 118 | 132.9 Ų | 132.9 | 83% | 0.825 | 80% | 0.803 | S | S | * | * | | | cis | 73.1 | 103.6 | 43.9 | -165.9 | 0 | 0 | 0 | 0 | 114.8 | | |
| 163 | V | 33.8 | Very low | 32.7 | Very low | 141 Ų | 141 | 131.9 Ų | 131.9 | 86% | 0.855 | 80% | 0.796 | S | S | * | * | | | trans | -163.8 | 148.5 | 135.2 | 130.7 | 0 | 0 | 0 | 0 | 110 | | |
| 164 | N | 28.5 | Very low | 31.9 | Very low | 162 Ų | 162 | 131.2 Ų | 131.2 | 87% | 0.866 | 79% | 0.793 | S | S | * | * | | | trans | -81.9 | 159.8 | -179.8 | -61.2 | -33.2 | 0 | 0 | 0 | 112.3 | | |
| 165 | G | 27.5 | Very low | 30.9 | Very low | 83 Ų | 83 | 131.2 Ų | 131.2 | 86% | 0.856 | 79% | 0.789 | S | S | * | * | | | trans | 176.8 | 80.9 | 168 | 0 | 0 | 0 | 0 | 0 | 115.9 | | |
| 166 | S | 29.6 | Very low | 30.2 | Very low | 117 Ų | 117 | 130.2 Ų | 130.2 | 82% | 0.818 | 78% | 0.782 | S | S | * | * | | | trans | -96.3 | 151.2 | 163.8 | -56.7 | 0 | 0 | 0 | 0 | 110.9 | | |
| 167 | K | 29.2 | Very low | 29.9 | Very low | 214 Ų | 214 | 131 Ų | 131 | 93% | 0.93 | 78% | 0.778 | S | S | * | * | | | trans | 83.4 | 122.7 | -178.4 | -55 | -178.9 | 176.5 | -174.2 | 0 | 116.1 | | |
| 168 | A | 25.2 | Very low | 29.9 | Very low | 104 Ų | 104 | 138.6 Ų | 138.6 | 86% | 0.86 | 79% | 0.786 | S | S | * | * | | | trans | -155.9 | 119.6 | 155.1 | 0 | 0 | 0 | 0 | 0 | 109.5 | | |
| 169 | S | 23.7 | Very low | 29.5 | Very low | 115 Ų | 115 | 135.9 Ų | 135.9 | 80% | 0.804 | 78% | 0.782 | S | S | * | * | | | trans | 175.1 | 138.2 | 162.6 | -175.8 | 0 | 0 | 0 | 0 | 109.4 | | |
| 170 | P | 42 | Very low | 29.4 | Very low | 105 Ų | 105 | 140.2 Ų | 140.2 | 68% | 0.682 | 79% | 0.786 | S | S | * | * | | | cis | -120.9 | -144.1 | -32.1 | 38.5 | -22.1 | 0 | 0 | 0 | 109.1 | | |
| 171 | E | 24.8 | Very low | 29.3 | Very low | 176 Ų | 176 | 141.2 Ų | 141.2 | 82% | 0.822 | 78% | 0.784 | S | S | * | * | | | trans | 72.8 | 132.2 | 162.4 | -133.5 | 145.3 | -129.6 | 0 | 0 | 115.4 | | |
| 172 | E | 25 | Very low | 29.3 | Very low | 160 Ų | 160 | 143.4 Ų | 143.4 | 75% | 0.748 | 79% | 0.788 | S | S | * | * | | | cis | -159 | 176.8 | -10.7 | -145.5 | -154.9 | -159.8 | 0 | 0 | 111.4 | | |
| 173 | S | 26.3 | Very low | 29.4 | Very low | 65 Ų | 65 | 147.5 Ų | 147.5 | 46% | 0.455 | 79% | 0.79 | S | S | . | * | | | trans | 63 | 111 | 144.9 | -86.7 | 0 | 0 | 0 | 0 | 123.6 | | |
| 174 | Q | 27.4 | Very low | 29.3 | Very low | 165 Ų | 165 | 146.6 Ų | 146.6 | 77% | 0.771 | 79% | 0.791 | S | S | * | * | | | | 76.9 | 147.9 | 128.8 | -59.1 | 175.9 | 55.2 | 0 | 0 | 120.5 | | |
| 175 | T | 27.2 | Very low | 29.4 | Very low | 100 Ų | 100 | 146.9 Ų | 146.9 | 61% | 0.613 | 78% | 0.784 | S | S | * | * | | | cis | -162.4 | 171.3 | -19.7 | 36.9 | 0 | 0 | 0 | 0 | 111.1 | | |
| 176 | M | 29.1 | Very low | 29.5 | Very low | 134 Ų | 134 | 150.1 Ų | 150.1 | 66% | 0.66 | 78% | 0.777 | S | S | * | * | | | trans | 78.7 | 141.1 | 160.5 | -49.5 | -52.3 | 171.7 | 0 | 0 | 118.2 | | |
| 177 | R | 29 | Very low | 29.8 | Very low | 194 Ų | 194 | 155.7 Ų | 155.7 | 73% | 0.732 | 78% | 0.78 | S | S | * | * | | | cis | -161.6 | 173.6 | -11.4 | -122.1 | 177.3 | -155.3 | -163.6 | 7.8 | 112.2 | | |
| 178 | Y | 32.1 | Very low | 29.9 | Very low | 227 Ų | 227 | 156.9 Ų | 156.9 | 89% | 0.89 | 78% | 0.779 | S | S | * | * | | | trans | 75.5 | 130.2 | 174.3 | -60 | -89.7 | 0 | 0 | 0 | 116.8 | | |
| 179 | G | 29.4 | Very low | 30.1 | Very low | 71 Ų | 71 | 158 Ų | 158 | 73% | 0.732 | 78% | 0.78 | S | S | * | * | | | cis | 175 | 146.4 | -14.6 | 0 | 0 | 0 | 0 | 0 | 117.5 | | |
| 180 | K | 35.4 | Very low | 30.3 | Very low | 208 Ų | 208 | 159.8 Ų | 159.8 | 90% | 0.904 | 78% | 0.776 | S | S | * | * | | | trans | 72.5 | 110.3 | 154.1 | -63.8 | 179.8 | 178.6 | 175.2 | 0 | 122.1 | | |
| 181 | R | 32.5 | Very low | 29.7 | Very low | 234 Ų | 234 | 158.5 Ų | 158.5 | 88% | 0.883 | 78% | 0.782 | S | S | * | * | | | | 83.2 | 107.6 | 118.9 | -169.6 | -168.3 | -165.4 | 177.3 | 6.7 | 121.2 | | |
| 182 | S | 29.8 | Very low | 30.2 | Very low | 119 Ų | 119 | 158.1 Ų | 158.1 | 83% | 0.832 | 78% | 0.777 | S | S | * | * | | | | -175.6 | 171.9 | 109 | -117.4 | 0 | 0 | 0 | 0 | 114.6 | | |
| 183 | K | 30.4 | Very low | 31.4 | Very low | 203 Ų | 203 | 155.4 Ų | 155.4 | 88% | 0.883 | 77% | 0.774 | S | S | * | * | | | trans | -114.5 | 144.5 | -175.4 | -67.7 | -179.1 | 177 | -178.3 | 0 | 113.7 | | |
| 184 | S | 30.6 | Very low | 31.7 | Very low | 123 Ų | 123 | 164 Ų | 164 | 86% | 0.86 | 80% | 0.796 | S | S | * | * | | | | 173.4 | 169.7 | 127.9 | 63.2 | 0 | 0 | 0 | 0 | 108.9 | | |
| 185 | K | 31.1 | Very low | 31.9 | Very low | 168 Ų | 168 | 160.8 Ų | 160.8 | 73% | 0.73 | 79% | 0.792 | S | S | * | * | | | cis | -168.7 | 101.7 | -45.1 | 172 | 174.1 | 174.6 | 175.1 | 0 | 105.2 | | |
| 186 | E | 29.1 | Very low | 32.1 | Very low | 150 Ų | 150 | 163.3 Ų | 163.3 | 70% | 0.701 | 80% | 0.802 | S | S | * | * | | | trans | 46.6 | 119.5 | 133.7 | -179.9 | -176.4 | -113.6 | 0 | 0 | 120.5 | | |
| 187 | R | 36.9 | Very low | 32 | Very low | 235 Ų | 235 | 161.3 Ų | 161.3 | 89% | 0.887 | 81% | 0.806 | S | S | * | * | | | | -165.3 | 142.3 | 124 | -103.1 | 170.8 | -162.3 | 117.3 | -6.9 | 111.8 | | |
| 188 | R | 30.2 | Very low | 32.2 | Very low | 239 Ų | 239 | 157.9 Ų | 157.9 | 90% | 0.902 | 81% | 0.812 | S | S | * | * | | | trans | -92.7 | 160.9 | 157.8 | -66.7 | -79.6 | -169.5 | 158.7 | 1.6 | 107.6 | | |
| 189 | S | 31.1 | Very low | 32 | Very low | 127 Ų | 127 | 150.6 Ų | 150.6 | 89% | 0.888 | 81% | 0.806 | S | S | * | * | | | | -158.8 | -179.6 | 89.8 | 50.5 | 0 | 0 | 0 | 0 | 113.2 | | |
| 190 | E | 26.5 | Very low | 32.1 | Very low | 152 Ų | 152 | 158.5 Ų | 158.5 | 71% | 0.71 | 81% | 0.814 | S | S | * | * | | | trans | -113.6 | 154.7 | -165.1 | 179.8 | 179.9 | 170 | 0 | 0 | 112.7 | K192 | E190-K192 VanDerWaalsContact OE1-CD 3.23Å; E190-K192 WeakPolarHBondContact OE1-CD 3.01Å; E190-K192 WeakPolarHBondContact OE1-CE 3.48Å; E190-K192 IonicContact OE1-NZ 2.64Å; E190-K192 PolarHBondContact OE1-NZ 3.24Å |
| 191 | G | 29.3 | Very low | 32 | Very low | 79 Ų | 79 | 159.6 Ų | 159.6 | 81% | 0.814 | 81% | 0.813 | S | S | * | * | | | trans | -155.8 | 106 | 174.9 | 0 | 0 | 0 | 0 | 0 | 113.7 | | |
| 192 | K | 36.4 | Very low | 31.7 | Very low | 167 Ų | 167 | 153.2 Ų | 153.2 | 73% | 0.726 | 80% | 0.804 | S | S | * | * | | | trans | -86.1 | -176.5 | 177.6 | -109.5 | 115.1 | 170.1 | -177.2 | 0 | 111.3 | E190 | E190-K192 VanDerWaalsContact OE1-CD 3.23Å; E190-K192 WeakPolarHBondContact OE1-CD 3.01Å; E190-K192 WeakPolarHBondContact OE1-CE 3.48Å; E190-K192 IonicContact OE1-NZ 2.64Å; E190-K192 PolarHBondContact OE1-NZ 3.24Å |
| 193 | P | 50.2 | Low | 31.7 | Very low | 104 Ų | 104 | 152.1 Ų | 152.1 | 68% | 0.675 | 80% | 0.797 | S | S | * | * | | | cis | -141.4 | 170.6 | -40.9 | 35.3 | -18 | 0 | 0 | 0 | 114.5 | | |
| 194 | R | 31.2 | Very low | 31.6 | Very low | 245 Ų | 245 | 149.1 Ų | 149.1 | 93% | 0.925 | 79% | 0.79 | S | S | * | * | | | | 168.7 | 170.1 | 121.3 | -96.2 | 175.2 | 173.7 | 167.8 | -1.2 | 113.3 | | |
| 195 | S | 32.9 | Very low | 31.7 | Very low | 97 Ų | 97 | 149.8 Ų | 149.8 | 68% | 0.678 | 78% | 0.784 | S | S | * | * | | | trans | -155.5 | 170.8 | -171.7 | 65.6 | 0 | 0 | 0 | 0 | 113.3 | | |
| 196 | N | 30.6 | Very low | 31.6 | Very low | 153 Ų | 153 | 147.1 Ų | 147.1 | 82% | 0.818 | 78% | 0.778 | S | S | * | * | | | trans | 89.3 | 153.8 | 162.1 | -55.6 | 4 | 0 | 0 | 0 | 119.4 | | |
| 197 | A | 27.9 | Very low | 32.1 | Very low | 92 Ų | 92 | 147.2 Ų | 147.2 | 76% | 0.76 | 78% | 0.782 | S | S | * | * | | | trans | 66.6 | 123.7 | 171.8 | 0 | 0 | 0 | 0 | 0 | 117.2 | | |
| 198 | S | 33.5 | Very low | 31.7 | Very low | 122 Ų | 122 | 142.1 Ų | 142.1 | 85% | 0.853 | 77% | 0.772 | S | S | * | * | | | cis | 93.9 | 119.5 | 23.8 | 80.5 | 0 | 0 | 0 | 0 | 115.6 | | |
| 199 | G | 27.8 | Very low | 31.7 | Very low | 75 Ų | 75 | 136.9 Ų | 136.9 | 77% | 0.773 | 76% | 0.762 | S | S | * | * | | | trans | 163.9 | 146.1 | 167.6 | 0 | 0 | 0 | 0 | 0 | 114.5 | | |
| 200 | W | 31.5 | Very low | 31.9 | Very low | 236 Ų | 236 | 137.7 Ų | 137.7 | 89% | 0.894 | 76% | 0.757 | S | S | * | * | | | trans | -62.2 | 169 | 165.3 | -62.2 | -71.3 | 0 | 0 | 0 | 111.2 | | |
| 201 | W | 32.5 | Very low | 32.1 | Very low | 232 Ų | 232 | 136 Ų | 136 | 88% | 0.879 | 76% | 0.756 | S | S | * | * | | | cis | -143.6 | 148.8 | 32.1 | -71.1 | 71.9 | 0 | 0 | 0 | 109.3 | | |
| 202 | S | 26.3 | Very low | 32.3 | Very low | 99 Ų | 99 | 136.9 Ų | 136.9 | 69% | 0.692 | 75% | 0.75 | S | S | * | * | | | | 71.8 | 140.3 | 73.1 | -152.3 | 0 | 0 | 0 | 0 | 116.3 | | |
| 203 | S | 28.8 | Very low | 32 | Very low | 97 Ų | 97 | 135.4 Ų | 135.4 | 68% | 0.678 | 75% | 0.748 | S | S | * | * | | | trans | 81.3 | 118.7 | 161.7 | -82.4 | 0 | 0 | 0 | 0 | 121.8 | | |
| 204 | D | 29 | Very low | 31.1 | Very low | 140 Ų | 140 | 139.6 Ų | 139.6 | 75% | 0.749 | 75% | 0.752 | S | S | * | * | | | | 74.7 | 108.7 | 124.9 | -64.5 | -67.2 | 0 | 0 | 0 | 123.1 | | |
| 205 | D | 32.1 | Very low | 31.1 | Very low | 137 Ų | 137 | 136 Ų | 136 | 73% | 0.733 | 75% | 0.745 | S | S | * | * | | | | 86.6 | 152.1 | 117.9 | -139.3 | 13 | 0 | 0 | 0 | 122.8 | | |
| 206 | N | 30.4 | Very low | 30.9 | Very low | 112 Ų | 112 | 134.6 Ų | 134.6 | 60% | 0.599 | 75% | 0.746 | S | S | * | * | | | trans | 61.6 | 108.5 | 166.2 | -72.1 | -69.6 | 0 | 0 | 0 | 123 | | |
| 207 | L | 38.1 | Very low | 32 | Very low | 151 Ų | 151 | 133.6 Ų | 133.6 | 79% | 0.791 | 75% | 0.747 | S | S | * | * | | | | 59.8 | 166.9 | 114.4 | -65.8 | -178.3 | 0 | 0 | 0 | 122.8 | | |
| 208 | D | 30.4 | Very low | 32.5 | Very low | 128 Ų | 128 | 135 Ų | 135 | 68% | 0.684 | 75% | 0.752 | S | S | * | * | | | trans | 59.6 | 114.5 | -176.3 | -78.6 | -99.9 | 0 | 0 | 0 | 116.1 | | |
| 209 | N | 28.9 | Very low | 32.6 | Very low | 129 Ų | 129 | 132.4 Ų | 132.4 | 69% | 0.69 | 74% | 0.744 | S | S | * | * | | | | 81.3 | 146.7 | 63.3 | -74 | -35.2 | 0 | 0 | 0 | 113.5 | | |
| 210 | D | 34.7 | Very low | 33 | Very low | 144 Ų | 144 | 135.4 Ų | 135.4 | 77% | 0.77 | 75% | 0.747 | S | S | * | * | | | trans | 65.2 | 138.8 | 153.5 | -77.7 | 2.6 | 0 | 0 | 0 | 120.7 | | |
| 211 | V | 32.5 | Very low | 33 | Very low | 116 Ų | 116 | 131.8 Ų | 131.8 | 70% | 0.703 | 74% | 0.742 | S | S | * | * | | | cis | -164.2 | -171.3 | -22.4 | 90.4 | 0 | 0 | 0 | 0 | 109.1 | | |
| 212 | C | 32.8 | Very low | 33 | Very low | 99 Ų | 99 | 127.7 Ų | 127.7 | 67% | 0.669 | 74% | 0.743 | S | S | * | * | | | trans | 86.1 | 123.8 | 152.7 | -96 | 0 | 0 | 0 | 0 | 121.7 | | |
| 213 | I | 30 | Very low | 33.4 | Very low | 136 Ų | 136 | 130.8 Ų | 130.8 | 70% | 0.697 | 75% | 0.749 | S | S | * | * | | | | 103.6 | 88.2 | 127.1 | -67.7 | 166.3 | 0 | 0 | 0 | 120.7 | | |
| 214 | Y | 30.9 | Very low | 33.5 | Very low | 192 Ų | 192 | 129.6 Ų | 129.6 | 75% | 0.753 | 75% | 0.751 | S | S | * | * | | | | 84.5 | 147.4 | 125 | -86.3 | -94.5 | 0 | 0 | 0 | 126.3 | | |
| 215 | H | 31.3 | Very low | 33.6 | Very low | 170 Ų | 170 | 134.6 Ų | 134.6 | 79% | 0.787 | 76% | 0.76 | S | S | * | * | | | trans | 71.8 | 119.5 | 153.9 | -70.6 | -59 | 0 | 0 | 0 | 122.4 | | |
| 216 | G | 28.8 | Very low | 33.5 | Very low | 67 Ų | 67 | 133.9 Ų | 133.9 | 69% | 0.691 | 76% | 0.764 | S | S | * | * | | | trans | -99 | -142.2 | 149.1 | 0 | 0 | 0 | 0 | 0 | 110.7 | | |
| 217 | P | 54.5 | Low | 34.1 | Very low | 131 Ų | 131 | 134.7 Ų | 134.7 | 85% | 0.851 | 78% | 0.775 | S | S | * | * | | | cis | -146.2 | -158.6 | 8.9 | 44.7 | -24.1 | 0 | 0 | 0 | 115.8 | | |
| 218 | S | 37.3 | Very low | 33.5 | Very low | 122 Ų | 122 | 133.2 Ų | 133.2 | 85% | 0.853 | 77% | 0.769 | S | S | * | * | | | trans | 95.4 | 150.1 | 156 | -152.5 | 0 | 0 | 0 | 0 | 119.7 | | |
| 219 | G | 36.7 | Very low | 33.6 | Very low | 67 Ų | 67 | 137 Ų | 137 | 69% | 0.691 | 77% | 0.773 | S | S | * | * | | | trans | -175.8 | -23.7 | -174 | 0 | 0 | 0 | 0 | 0 | 121.2 | | |
| 220 | V | 36.3 | Very low | 33.6 | Very low | 139 Ų | 139 | 135.8 Ų | 135.8 | 84% | 0.842 | 78% | 0.775 | S | S | * | * | | | trans | 72.4 | 165.2 | 169.5 | -157 | 0 | 0 | 0 | 0 | 117.7 | | |
| 221 | M | 30.5 | Very low | 33.3 | Very low | 160 Ų | 160 | 134 Ų | 134 | 79% | 0.788 | 77% | 0.774 | S | S | * | * | | | trans | -134.5 | 171.6 | -167.8 | -48.3 | 166.1 | 73.8 | 0 | 0 | 112.4 | | |
| 222 | T | 33.5 | Very low | 33 | Very low | 146 Ų | 146 | 133.2 Ų | 133.2 | 90% | 0.896 | 77% | 0.773 | S | S | * | * | | | trans | -163.3 | 164.1 | 154.1 | -77.3 | 0 | 0 | 0 | 0 | 111.1 | | |
| 223 | M | 33.9 | Very low | 32.8 | Very low | 164 Ų | 164 | 135.8 Ų | 135.8 | 81% | 0.808 | 78% | 0.776 | S | S | * | * | | | trans | -144.1 | 154.1 | -154.9 | -78 | -92.6 | -74.8 | 0 | 0 | 117.3 | | |
| 224 | G | 29.9 | Very low | 32.6 | Very low | 71 Ų | 71 | 138.1 Ų | 138.1 | 73% | 0.732 | 78% | 0.777 | S | S | * | * | | | trans | 94.7 | 163.3 | 151.1 | 0 | 0 | 0 | 0 | 0 | 119 | | |
| 225 | R | 31.3 | Very low | 32.5 | Very low | 245 Ų | 245 | 135.8 Ų | 135.8 | 93% | 0.925 | 77% | 0.771 | S | S | * | * | | | cis | -161.1 | 168.3 | -16.5 | -91.9 | -165.2 | -174.2 | -123.1 | 3.7 | 110.3 | | |
| 226 | C | 30.1 | Very low | 32.2 | Very low | 123 Ų | 123 | 134.2 Ų | 134.2 | 83% | 0.831 | 77% | 0.766 | S | S | * | * | | | trans | -96.9 | -175.4 | 173.9 | -40.4 | 0 | 0 | 0 | 0 | 112.2 | | |
| 227 | P | 43.3 | Very low | 32.3 | Very low | 128 Ų | 128 | 136.5 Ų | 136.5 | 83% | 0.831 | 76% | 0.758 | S | S | * | * | | | cis | -135 | -147.2 | 43.6 | 38.3 | -14.1 | 0 | 0 | 0 | 112.8 | | |
| 228 | D | 26.7 | Very low | 31.1 | Very low | 121 Ų | 121 | 131.9 Ų | 131.9 | 65% | 0.647 | 73% | 0.731 | S | S | * | * | | | cis | -156.1 | 170.2 | -2.3 | -169.8 | 17.8 | 0 | 0 | 0 | 110.5 | | |
| 229 | R | 31.5 | Very low | 30.7 | Very low | 206 Ų | 206 | 133.4 Ų | 133.4 | 78% | 0.777 | 72% | 0.719 | S | S | * | * | | | trans | 65.8 | 123.6 | 162.6 | -51 | -148.9 | 172.1 | -156 | -8.2 | 119.2 | | |
| 230 | S | 30.2 | Very low | 30.5 | Very low | 104 Ų | 104 | 133.1 Ų | 133.1 | 73% | 0.727 | 70% | 0.702 | S | S | * | * | | | cis | 76.9 | 131.3 | 47.9 | 85.7 | 0 | 0 | 0 | 0 | 113.9 | | |
| 231 | S | 27.6 | Very low | 30.3 | Very low | 107 Ų | 107 | 129.9 Ų | 129.9 | 75% | 0.748 | 68% | 0.683 | S | S | * | * | | | cis | -161.9 | 173.4 | 25.2 | 62.9 | 0 | 0 | 0 | 0 | 114.3 | | |
| 232 | S | 26.8 | Very low | 30.4 | Very low | 99 Ų | 99 | 128.8 Ų | 128.8 | 69% | 0.692 | 68% | 0.679 | S | S | * | * | | | trans | 69.1 | 147.8 | 164.3 | -83.9 | 0 | 0 | 0 | 0 | 120 | | |
| 233 | Q | 27.7 | Very low | 30.2 | Very low | 154 Ų | 154 | 127.1 Ų | 127.1 | 72% | 0.72 | 67% | 0.673 | S | S | * | * | | | cis | -166.8 | 149.8 | -16 | -122.4 | 178.3 | 2.7 | 0 | 0 | 112.2 | | |
| 234 | Y | 26.4 | Very low | 30.2 | Very low | 185 Ų | 185 | 127.1 Ų | 127.1 | 73% | 0.725 | 67% | 0.671 | S | S | * | * | | | trans | 58.4 | 127 | 166.2 | -72.1 | -89.1 | 0 | 0 | 0 | 119.5 | | |
| 235 | F | 27.8 | Very low | 30.2 | Very low | 143 Ų | 143 | 131.7 Ų | 131.7 | 63% | 0.627 | 67% | 0.673 | S | S | * | * | | | | 69.3 | 136.9 | 83.7 | -112.4 | -77.9 | 0 | 0 | 0 | 112.5 | | |
| 236 | M | 26.2 | Very low | 30.4 | Very low | 137 Ų | 137 | 125.8 Ų | 125.8 | 68% | 0.675 | 66% | 0.664 | S | S | * | * | | | cis | -152 | 126.5 | 27.3 | -161.1 | 161 | -74 | 0 | 0 | 107.8 | | |
| 237 | E | 29.6 | Very low | 30.4 | Very low | 114 Ų | 114 | 127 Ų | 127 | 53% | 0.533 | 67% | 0.667 | S | S | . | * | | | | 78.6 | 140.5 | 105.8 | -171.6 | 167.5 | -113.8 | 0 | 0 | 117.9 | V142 Q146 | V142-E237 HydrophobicContact CG1-CB 4.24Å; V142-E237 HydrophobicContact CG1-CG 3.92Å; Q146-E237 VanDerWaalsContact NE2-C 3.29Å; Q146-E237 PolarHBondContact NE2-O 3.09Å; Q146-E237 VanDerWaalsContact OE1-C 3.24Å |
| 238 | A | 29.5 | Very low | 29.7 | Very low | 35 Ų | 35 | 130.3 Ų | 130.3 | 29% | 0.289 | 67% | 0.669 | S | S | . | * | | | trans | 139 | 119.8 | 143.3 | 0 | 0 | 0 | 0 | 0 | 115.5 | V142 Q146 | V142-A238 VanDerWaalsContact CG1-N 3.35Å; Q146-A238 VanDerWaalsContact CA-O 3.3Å; Q146-A238 WeakPolarHBondContact CA-O 3.44Å; Q146-A238 WeakPolarHBondContact CB-O 3.31Å; Q146-A238 WeakPolarHBondContact CG-O 3.34Å; Q146-A238 PolarHBondContact NE2-O 2.62Å |
| 239 | Y | 29.3 | Very low | 29.6 | Very low | 153 Ų | 153 | 130.3 Ų | 130.3 | 60% | 0.6 | 68% | 0.678 | S | S | * | * | | | trans | 42.4 | 141.1 | 132.7 | -56.8 | -69 | 0 | 0 | 0 | 121.1 | V145 F149 | V145-Y239 CarbonylContact O-C 3.52Å; F149-Y239 WeakPolarHBondContact CB-O 3.38Å |
| 240 | N | 32.4 | Very low | 29.5 | Very low | 61 Ų | 61 | 125.9 Ų | 125.9 | 33% | 0.326 | 68% | 0.679 | S | S | . | * | | | cis | -159 | -176 | 15.6 | -123.5 | -24.5 | 0 | 0 | 0 | 114.4 | V145 L148 F149 | V145-N240 PolarHBondContact O-N 2.98Å; V145-N240 VanDerWaalsContact O-N 3.11Å; V145-N240 VanDerWaalsContact O-O 3.1Å; L148-N240 VanDerWaalsContact CB-O 3.31Å; L148-N240 WeakPolarHBondContact CB-O 3.2Å; F149-N240 HydrophobicContact CD1-CB 3.86Å; F149-N240 HydrophobicContact CD2-CB 3.56Å; F149-N240 WeakPolarHBondContact CD2-O 3.24Å; F149-N240 HydrophobicContact CE1-CB 3.61Å; F149-N240 VanDerWaalsContact CE2-C 3.47Å; F149-N240 HydrophobicContact CE2-CB 3.35Å; F149-N240 HydrophobicContact CG-CB 3.85Å; F149-N240 VanDerWaalsContact CG-N 3.34Å; F149-N240 HydrophobicContact CZ-CB 3.37Å |
| 241 | T | 31.3 | Very low | 29.4 | Very low | 71 Ų | 71 | 132.2 Ų | 132.2 | 44% | 0.436 | 69% | 0.687 | S | S | . | * | | | trans | -3.5 | 162.4 | 163.2 | 68.2 | 0 | 0 | 0 | 0 | 126.1 | F149 | F149-T241 VanDerWaalsContact CE2-OG1 3.22Å; F149-T241 WeakPolarHBondContact CE2-OG1 3.3Å |
| 242 | I | 32.9 | Very low | 29.5 | Very low | 138 Ų | 138 | 133 Ų | 133 | 71% | 0.708 | 69% | 0.692 | S | S | * | * | | | trans | 86 | 113.6 | 149.2 | -72.6 | 153.3 | 0 | 0 | 0 | 119.9 | | |
| 243 | S | 29.1 | Very low | 29.8 | Very low | 110 Ų | 110 | 134 Ų | 134 | 77% | 0.769 | 69% | 0.69 | S | S | * | * | | | | 158.2 | 131.9 | 114.7 | -167.4 | 0 | 0 | 0 | 0 | 110.5 | | |
| 244 | E | 34.4 | Very low | 29.9 | Very low | 164 Ų | 164 | 134.1 Ų | 134.1 | 77% | 0.766 | 70% | 0.695 | S | S | * | * | | | trans | -76.6 | 151.8 | 166.2 | -64.4 | 167.6 | 108.1 | 0 | 0 | 110.3 | | |
| 245 | H | 30.9 | Very low | 30.2 | Very low | 167 Ų | 167 | 131 Ų | 131 | 77% | 0.773 | 69% | 0.691 | S | S | * | * | | | | 179 | 116.6 | 115.5 | -96.9 | -66.2 | 0 | 0 | 0 | 112.5 | | |
| 246 | T | 33.8 | Very low | 30.5 | Very low | 121 Ų | 121 | 130.7 Ų | 130.7 | 74% | 0.742 | 70% | 0.7 | S | S | * | * | | | trans | -1.2 | 122.5 | 148.3 | 51.9 | 0 | 0 | 0 | 0 | 119.7 | | |
| 247 | V | 31.6 | Very low | 30.5 | Very low | 149 Ų | 149 | 132.9 Ų | 132.9 | 90% | 0.903 | 71% | 0.706 | S | S | * | * | | | | -149.2 | 161.2 | 129 | -101.9 | 0 | 0 | 0 | 0 | 110 | | |
| 248 | K | 28.6 | Very low | 30.4 | Very low | 198 Ų | 198 | 132.5 Ų | 132.5 | 86% | 0.861 | 72% | 0.715 | S | S | * | * | | | trans | -107.2 | 175.7 | -167.7 | -60.8 | 177.1 | -177.1 | 176 | 0 | 112.4 | | |
| 249 | S | 23.5 | Very low | 30.4 | Very low | 120 Ų | 120 | 135.9 Ų | 135.9 | 84% | 0.839 | 74% | 0.736 | S | S | * | * | | | trans | 78.2 | 151.2 | 174.4 | -57.6 | 0 | 0 | 0 | 0 | 115.8 | | |
| 250 | S | 29.1 | Very low | 30.4 | Very low | 113 Ų | 113 | 134.8 Ų | 134.8 | 79% | 0.79 | 75% | 0.746 | S | S | * | * | | | cis | -132.4 | 151.8 | 5.6 | -156.5 | 0 | 0 | 0 | 0 | 113.2 | | |
| 251 | R | 29.9 | Very low | 30.3 | Very low | 238 Ų | 238 | 137.7 Ų | 137.7 | 90% | 0.898 | 77% | 0.77 | S | S | * | * | | | trans | -90.9 | 131.8 | 164.4 | -62 | 170.6 | 91.4 | 173 | 5.8 | 107.7 | | |
| 252 | S | 28 | Very low | 30.3 | Very low | 122 Ų | 122 | 138.7 Ų | 138.7 | 85% | 0.853 | 79% | 0.785 | S | S | * | * | | | trans | -124.7 | 136.6 | 154 | 54.6 | 0 | 0 | 0 | 0 | 107.8 | | |
| 253 | N | 33.8 | Very low | 30 | Very low | 122 Ų | 122 | 140.1 Ų | 140.1 | 65% | 0.652 | 79% | 0.794 | S | S | * | * | | | trans | -156.3 | 137.2 | -173.6 | -165.6 | 66.5 | 0 | 0 | 0 | 108.6 | D255 | N253-D255 PolarHBondContact ND2-OD2 3.46Š|
| 254 | N | 29.4 | Very low | 30.3 | Very low | 155 Ų | 155 | 142 Ų | 142 | 83% | 0.829 | 80% | 0.795 | S | S | * | * | | | trans | 176.4 | 120.7 | 154.3 | -88.4 | -25.5 | 0 | 0 | 0 | 106 | | |
| 255 | D | 32.8 | Very low | 30.5 | Very low | 120 Ų | 120 | 139.7 Ų | 139.7 | 64% | 0.642 | 79% | 0.794 | S | S | * | * | | | cis | 93.1 | 116.7 | 36.2 | -82.7 | -65.2 | 0 | 0 | 0 | 116.3 | N253 | N253-D255 PolarHBondContact ND2-OD2 3.46Š|
| 256 | V | 34.4 | Very low | 30.5 | Very low | 136 Ų | 136 | 137.4 Ų | 137.4 | 82% | 0.824 | 79% | 0.792 | S | S | * | * | | | trans | -161.3 | 139.9 | 154.5 | -114.4 | 0 | 0 | 0 | 0 | 105.7 | | |
| 257 | K | 25.1 | Very low | 30.2 | Very low | 183 Ų | 183 | 138.4 Ų | 138.4 | 80% | 0.796 | 79% | 0.792 | S | S | * | * | | | cis | -165.9 | 144.5 | 16.7 | -168.9 | 171.7 | -179.3 | 179.3 | 0 | 111.4 | | |
| 258 | C | 27.6 | Very low | 30.1 | Very low | 106 Ų | 106 | 137.7 Ų | 137.7 | 72% | 0.716 | 78% | 0.783 | S | S | * | * | | | trans | 37.7 | 134.9 | 161.7 | -66.7 | 0 | 0 | 0 | 0 | 121.1 | | |
| 259 | S | 29.4 | Very low | 30 | Very low | 106 Ų | 106 | 134.7 Ų | 134.7 | 74% | 0.741 | 78% | 0.776 | S | S | * | * | | | cis | 69.1 | 143.5 | 48.4 | -50 | 0 | 0 | 0 | 0 | 114.1 | | |
| 260 | T | 30.5 | Very low | 30.2 | Very low | 131 Ų | 131 | 134.3 Ų | 134.3 | 80% | 0.804 | 77% | 0.774 | S | S | * | * | | | cis | -130.7 | -153.4 | 1.1 | -21.1 | 0 | 0 | 0 | 0 | 108.9 | | |
| 261 | C | 30.4 | Very low | 30.3 | Very low | 122 Ų | 122 | 137.4 Ų | 137.4 | 82% | 0.824 | 78% | 0.775 | S | S | * | * | | | cis | -139.3 | -164.4 | 17.5 | -60.2 | 0 | 0 | 0 | 0 | 110.6 | | |
| 262 | A | 30.5 | Very low | 30.4 | Very low | 91 Ų | 91 | 132.6 Ų | 132.6 | 75% | 0.752 | 77% | 0.767 | S | S | * | * | | | trans | -146.9 | 168.3 | 178.2 | 0 | 0 | 0 | 0 | 0 | 113.2 | | |
| 263 | N | 26.8 | Very low | 30.4 | Very low | 168 Ų | 168 | 134.7 Ų | 134.7 | 90% | 0.898 | 77% | 0.765 | S | S | * | * | | | trans | -163.8 | 154.2 | 153.8 | -98.1 | -45.5 | 0 | 0 | 0 | 111.2 | | |
| 264 | L | 34.8 | Very low | 30.2 | Very low | 150 Ų | 150 | 137.3 Ų | 137.3 | 79% | 0.785 | 77% | 0.771 | S | S | * | * | | | trans | -136 | 153.5 | -176.4 | -90.5 | 167.7 | 0 | 0 | 0 | 109.6 | | |
| 265 | P | 38.9 | Very low | 30.3 | Very low | 115 Ų | 115 | 138.9 Ų | 138.9 | 75% | 0.747 | 77% | 0.77 | S | S | * | * | | | | -136.9 | 167.1 | 78 | 24.7 | -0.7 | 0 | 0 | 0 | 113.2 | | |
| 266 | V | 31.9 | Very low | 30.1 | Very low | 120 Ų | 120 | 137.5 Ų | 137.5 | 73% | 0.727 | 77% | 0.77 | S | S | * | * | | | cis | 71.6 | 123 | 44.7 | -179.4 | 0 | 0 | 0 | 0 | 111 | | |
| 267 | N | 26.5 | Very low | 29.9 | Very low | 141 Ų | 141 | 136.7 Ų | 136.7 | 75% | 0.754 | 77% | 0.77 | S | S | * | * | | | cis | -156.7 | 176.5 | 15.1 | -156.7 | -3.4 | 0 | 0 | 0 | 113.4 | | |
| 268 | L | 30.4 | Very low | 30.2 | Very low | 134 Ų | 134 | 140.1 Ų | 140.1 | 70% | 0.702 | 78% | 0.779 | S | S | * | * | | | trans | 101.3 | 111.7 | 137.4 | -139.4 | 70.6 | 0 | 0 | 0 | 123.1 | | |
| 269 | D | 26.3 | Very low | 30.3 | Very low | 136 Ų | 136 | 140.6 Ų | 140.6 | 73% | 0.727 | 78% | 0.783 | S | S | * | * | | | trans | 58.2 | 143.1 | 141.3 | -76 | -44.2 | 0 | 0 | 0 | 128.2 | | |
| 270 | S | 28.7 | Very low | 30.2 | Very low | 112 Ų | 112 | 140.6 Ų | 140.6 | 78% | 0.783 | 78% | 0.783 | S | S | * | * | | | trans | 99 | 141 | 139.7 | 72.9 | 0 | 0 | 0 | 0 | 121.5 | | |
| 271 | Q | 29.6 | Very low | 30.2 | Very low | 177 Ų | 177 | 139.9 Ų | 139.9 | 83% | 0.827 | 78% | 0.779 | S | S | * | * | | | trans | -25.5 | 158.1 | 169.1 | -62.3 | 169 | -16 | 0 | 0 | 116.9 | | |
| 272 | L | 31.7 | Very low | 30.3 | Very low | 137 Ų | 137 | 141.9 Ų | 141.9 | 72% | 0.717 | 78% | 0.78 | S | S | * | * | | | | -174.4 | 133.5 | 54.7 | -170.3 | 71.8 | 0 | 0 | 0 | 113.9 | | |
| 273 | M | 28.5 | Very low | 30.7 | Very low | 167 Ų | 167 | 143.8 Ų | 143.8 | 82% | 0.823 | 78% | 0.783 | S | S | * | * | | | trans | 55 | 151.7 | 148.9 | -68.8 | -74.1 | 170 | 0 | 0 | 124.6 | | |
| 274 | K | 30.5 | Very low | 30.8 | Very low | 176 Ų | 176 | 142 Ų | 142 | 77% | 0.765 | 78% | 0.778 | S | S | * | * | | | trans | 98.8 | 110.7 | 135.6 | -138.8 | 169.9 | -175.3 | 176.8 | 0 | 119.1 | | |
| 275 | K | 31.2 | Very low | 30.5 | Very low | 188 Ų | 188 | 140.6 Ų | 140.6 | 82% | 0.817 | 78% | 0.78 | S | S | * | * | | | trans | 49.5 | 142.2 | 136.6 | -61.7 | -172.1 | -179.5 | -167.3 | 0 | 119.3 | | |
| 276 | S | 29.3 | Very low | 30.2 | Very low | 91 Ų | 91 | 146.8 Ų | 146.8 | 64% | 0.636 | 79% | 0.789 | S | S | * | * | | | cis | -168.7 | 164.2 | 4.1 | 35.1 | 0 | 0 | 0 | 0 | 111.8 | | |
| 277 | S | 29.1 | Very low | 30 | Very low | 119 Ų | 119 | 146 Ų | 146 | 83% | 0.832 | 80% | 0.795 | S | S | * | * | | | trans | 18.1 | 113.5 | 152 | -48.3 | 0 | 0 | 0 | 0 | 119.2 | | |
| 278 | W | 31.8 | Very low | 30.2 | Very low | 256 Ų | 256 | 150.9 Ų | 150.9 | 97% | 0.97 | 80% | 0.803 | S | S | * | * | | | trans | -104 | 109.9 | 157.9 | -78.7 | 31.7 | 0 | 0 | 0 | 109.1 | | |
| 279 | S | 29.3 | Very low | 30.3 | Very low | 115 Ų | 115 | 152.9 Ų | 152.9 | 80% | 0.804 | 81% | 0.808 | S | S | * | * | | | trans | -88 | 139.1 | 165.4 | -175.6 | 0 | 0 | 0 | 0 | 109.3 | | |
| 280 | S | 27.1 | Very low | 30.5 | Very low | 107 Ų | 107 | 152.8 Ų | 152.8 | 75% | 0.748 | 81% | 0.812 | S | S | * | * | | | trans | -143.7 | 97.5 | 177.8 | -163.1 | 0 | 0 | 0 | 0 | 111.6 | | |
| 281 | T | 31.3 | Very low | 30.3 | Very low | 116 Ų | 116 | 157.5 Ų | 157.5 | 71% | 0.712 | 82% | 0.815 | S | S | * | * | | | trans | -75.2 | 131.9 | 173 | -53.8 | 0 | 0 | 0 | 0 | 110.3 | | |
| 282 | L | 32 | Very low | 30.2 | Very low | 163 Ų | 163 | 157.2 Ų | 157.2 | 85% | 0.853 | 81% | 0.813 | S | S | * | * | | | trans | -118.4 | 103.3 | 171.2 | -72.9 | 178.9 | 0 | 0 | 0 | 111.3 | | |
| 283 | T | 39.4 | Very low | 29.9 | Very low | 131 Ų | 131 | 160.1 Ų | 160.1 | 80% | 0.804 | 82% | 0.82 | S | S | * | * | | | trans | -85.6 | 140.5 | 178.4 | -45.8 | 0 | 0 | 0 | 0 | 111.4 | | |
| 284 | V | 28.6 | Very low | 29.9 | Very low | 132 Ų | 132 | 156.4 Ų | 156.4 | 80% | 0.8 | 82% | 0.816 | S | S | * | * | | | trans | -79.6 | 131.4 | 179.3 | 175.8 | 0 | 0 | 0 | 0 | 111.5 | | |
| 285 | S | 27.7 | Very low | 29.7 | Very low | 119 Ų | 119 | 152.5 Ų | 152.5 | 83% | 0.832 | 81% | 0.811 | S | S | * | * | | | trans | -168.9 | 156.3 | 140.5 | -95.3 | 0 | 0 | 0 | 0 | 116.4 | | |
| 286 | R | 32.7 | Very low | 29.6 | Very low | 246 Ų | 246 | 150 Ų | 150 | 93% | 0.928 | 81% | 0.811 | S | S | * | * | | | trans | -56 | 138.8 | -176.7 | -69 | 169.2 | 158.6 | 84.4 | -1.9 | 114.3 | | |
| 287 | A | 27.9 | Very low | 29.5 | Very low | 104 Ų | 104 | 152.7 Ų | 152.7 | 86% | 0.86 | 82% | 0.818 | S | S | * | * | | | trans | -74.1 | 152 | 152.3 | 0 | 0 | 0 | 0 | 0 | 110.7 | | |
| 288 | R | 30.7 | Very low | 29.5 | Very low | 242 Ų | 242 | 154.1 Ų | 154.1 | 91% | 0.913 | 81% | 0.814 | S | S | * | * | | | trans | -111.6 | 162.3 | 176.3 | -137 | -175.6 | -170.3 | -172.3 | 4.5 | 110.7 | | |
| 289 | E | 32.4 | Very low | 29.2 | Very low | 176 Ų | 176 | 147.4 Ų | 147.4 | 82% | 0.822 | 80% | 0.797 | S | S | * | * | | | trans | -73.8 | 130.3 | -174.9 | -66.8 | 144 | 123.4 | 0 | 0 | 113.6 | | |
| 290 | V | 30.5 | Very low | 29.2 | Very low | 134 Ų | 134 | 149.3 Ų | 149.3 | 81% | 0.812 | 79% | 0.793 | S | S | * | * | | | | 44.6 | 105.7 | 127.1 | -175.2 | 0 | 0 | 0 | 0 | 117.7 | | |
| 291 | Y | 25.4 | Very low | 29.4 | Very low | 212 Ų | 212 | 150.4 Ų | 150.4 | 83% | 0.831 | 80% | 0.795 | S | S | * | * | | | trans | -50.8 | 150.3 | 152.2 | -87.3 | -107 | 0 | 0 | 0 | 110.5 | | |
| 292 | Q | 26.9 | Very low | 29.2 | Very low | 170 Ų | 170 | 151.1 Ų | 151.1 | 79% | 0.794 | 80% | 0.799 | S | S | * | * | | | | -171.4 | 155.4 | 57.6 | -140.2 | 154 | 33.4 | 0 | 0 | 111.7 | | |
| 293 | K | 26.1 | Very low | 29.1 | Very low | 198 Ų | 198 | 149.4 Ų | 149.4 | 86% | 0.861 | 80% | 0.795 | S | S | * | * | | | trans | -79.3 | 175 | 154.7 | -61.4 | 179.6 | 176 | 177.6 | 0 | 108.1 | | |
| 294 | A | 28.1 | Very low | 28.5 | Very low | 90 Ų | 90 | 152.6 Ų | 152.6 | 74% | 0.744 | 80% | 0.798 | S | S | * | * | | | cis | -166.4 | -169.5 | 22.7 | 0 | 0 | 0 | 0 | 0 | 107.8 | | |
| 295 | S | 27.3 | Very low | 28.5 | Very low | 94 Ų | 94 | 149.9 Ų | 149.9 | 66% | 0.657 | 79% | 0.789 | S | S | * | * | | | cis | -176.1 | 154.2 | -6.5 | 38.4 | 0 | 0 | 0 | 0 | 109.5 | | |
| 296 | V | 28.8 | Very low | 28.4 | Very low | 135 Ų | 135 | 152.5 Ų | 152.5 | 82% | 0.818 | 79% | 0.789 | S | S | * | * | | | trans | 59.3 | 158.9 | 161.5 | -62.1 | 0 | 0 | 0 | 0 | 117.2 | | |
| 297 | N | 26.9 | Very low | 28 | Very low | 148 Ų | 148 | 146.8 Ų | 146.8 | 79% | 0.791 | 78% | 0.781 | S | S | * | * | | | cis | -144.4 | -174.9 | 14.7 | -151.7 | -10.8 | 0 | 0 | 0 | 112.8 | | |
| 298 | M | 28.2 | Very low | 27.9 | Very low | 149 Ų | 149 | 147.3 Ų | 147.3 | 73% | 0.734 | 78% | 0.777 | S | S | * | * | | | trans | -65.5 | 169.5 | 170.5 | -68 | -155 | 70.4 | 0 | 0 | 112.4 | | |
| 299 | D | 27.1 | Very low | 27.6 | Very low | 115 Ų | 115 | 144.1 Ų | 144.1 | 62% | 0.615 | 77% | 0.773 | S | S | * | * | | | cis | -155.3 | -167.4 | 30.6 | -143.4 | -45.2 | 0 | 0 | 0 | 114.2 | | |
| 300 | Q | 28.5 | Very low | 27.2 | Very low | 154 Ų | 154 | 142.8 Ų | 142.8 | 72% | 0.72 | 77% | 0.766 | S | S | * | * | | | trans | -51.1 | 146.3 | -178.1 | -64.3 | 150.3 | 63 | 0 | 0 | 116 | | |
| 301 | T | 30 | Very low | 27 | Very low | 130 Ų | 130 | 142.3 Ų | 142.3 | 80% | 0.798 | 76% | 0.755 | S | S | * | * | | | | 176.2 | 128.1 | 105.1 | 31.6 | 0 | 0 | 0 | 0 | 115.3 | | |
| 302 | V | 27.7 | Very low | 27.3 | Very low | 132 Ų | 132 | 142.3 Ų | 142.3 | 80% | 0.8 | 75% | 0.754 | S | S | * | * | | | trans | 18.8 | 145.1 | 143.9 | -143.3 | 0 | 0 | 0 | 0 | 123.5 | | |
| 303 | V | 29.3 | Very low | 27.2 | Very low | 126 Ų | 126 | 138.6 Ų | 138.6 | 76% | 0.764 | 75% | 0.746 | S | S | * | * | | | trans | 113.1 | 137.3 | 148.5 | -172.6 | 0 | 0 | 0 | 0 | 118.8 | | |
| 304 | K | 28.5 | Very low | 27.3 | Very low | 198 Ų | 198 | 134.4 Ų | 134.4 | 86% | 0.861 | 74% | 0.741 | S | S | * | * | | | trans | -33.2 | 172.9 | 160.5 | -66.2 | 178.3 | 178.1 | -176.2 | 0 | 117.8 | | |
| 305 | A | 28.2 | Very low | 27.3 | Very low | 75 Ų | 75 | 137.7 Ų | 137.7 | 62% | 0.62 | 74% | 0.741 | S | S | * | * | | | cis | 179.1 | 167.4 | -27.4 | 0 | 0 | 0 | 0 | 0 | 109.2 | | |
| 306 | E | 25.4 | Very low | 27.3 | Very low | 175 Ų | 175 | 141.4 Ų | 141.4 | 82% | 0.818 | 74% | 0.742 | S | S | * | * | | | trans | 60.4 | 141.2 | 149.8 | -74.7 | -179.9 | 135.2 | 0 | 0 | 124.1 | | |
| 307 | T | 24.5 | Very low | 27.4 | Very low | 125 Ų | 125 | 141.8 Ų | 141.8 | 77% | 0.767 | 74% | 0.739 | S | S | * | * | | | trans | 63.7 | 108.5 | 147.9 | 50.9 | 0 | 0 | 0 | 0 | 123.6 | | |
| 308 | C | 25.9 | Very low | 27.4 | Very low | 115 Ų | 115 | 142 Ų | 142 | 78% | 0.777 | 73% | 0.734 | S | S | * | * | | | | 66 | 149.4 | 109.8 | -143.2 | 0 | 0 | 0 | 0 | 122.8 | | |
| 309 | Q | 24.3 | Very low | 27.7 | Very low | 176 Ų | 176 | 140.5 Ų | 140.5 | 82% | 0.822 | 73% | 0.734 | S | S | * | * | | | trans | 65.3 | 172.5 | 170 | -61.3 | -172 | 0.2 | 0 | 0 | 117.2 | | |
| 310 | Q | 24.6 | Very low | 28.2 | Very low | 148 Ų | 148 | 140.9 Ų | 140.9 | 69% | 0.692 | 74% | 0.742 | S | S | * | * | | | | -169.2 | 140.2 | -56.5 | 171.5 | 167.7 | -21.3 | 0 | 0 | 108.8 | | |
| 311 | E | 26.4 | Very low | 28.4 | Very low | 124 Ų | 124 | 140.2 Ų | 140.2 | 58% | 0.579 | 74% | 0.739 | S | S | * | * | | | trans | 68.7 | 153.2 | 162.9 | -91.8 | -174.3 | -167.2 | 0 | 0 | 122.2 | | |
| 312 | R | 30.5 | Very low | 28.6 | Very low | 212 Ų | 212 | 141.5 Ų | 141.5 | 80% | 0.8 | 74% | 0.741 | S | S | * | * | | | trans | 69.3 | 152.8 | 156.3 | -70.2 | 163.4 | -148.3 | -130.5 | 0 | 118.5 | | |
| 313 | S | 25.8 | Very low | 29.1 | Very low | 91 Ų | 91 | 140.5 Ų | 140.5 | 64% | 0.636 | 73% | 0.728 | S | S | * | * | | | cis | -170.2 | 130.3 | -21 | 51.1 | 0 | 0 | 0 | 0 | 114.1 | | |
| 314 | C | 26.8 | Very low | 29.5 | Very low | 110 Ų | 110 | 144.6 Ų | 144.6 | 74% | 0.743 | 73% | 0.73 | S | S | * | * | | | trans | 60.8 | 177 | 133.3 | -51 | 0 | 0 | 0 | 0 | 122.9 | | |
| 315 | Q | 29.4 | Very low | 29.9 | Very low | 160 Ų | 160 | 140.8 Ų | 140.8 | 75% | 0.748 | 72% | 0.723 | S | S | * | * | | | trans | 71.1 | 139.7 | 173.3 | -90 | 44.5 | 51 | 0 | 0 | 117.5 | | |
| 316 | Y | 25.7 | Very low | 29.9 | Very low | 171 Ų | 171 | 140.6 Ų | 140.6 | 67% | 0.671 | 73% | 0.728 | S | S | * | * | | | cis | -166.1 | -176.6 | -12.5 | -156.5 | -121.3 | 0 | 0 | 0 | 114.1 | | |
| 317 | L | 31.3 | Very low | 30.2 | Very low | 144 Ų | 144 | 141.8 Ų | 141.8 | 75% | 0.754 | 73% | 0.727 | S | S | * | * | | | trans | 82.4 | 141.9 | 167.7 | -55.9 | 168.6 | 0 | 0 | 0 | 118.4 | | |
| 318 | Q | 26.9 | Very low | 30.7 | Very low | 151 Ų | 151 | 141.2 Ų | 141.2 | 71% | 0.706 | 72% | 0.723 | S | S | * | * | | | cis | -155.6 | 160.1 | -37.4 | -168.8 | 140.9 | -42.9 | 0 | 0 | 109.8 | | |
| 319 | V | 34.8 | Very low | 31.5 | Very low | 119 Ų | 119 | 142.2 Ų | 142.2 | 72% | 0.721 | 73% | 0.728 | S | S | * | * | | | trans | -82 | 163.2 | -173.9 | -135.9 | 0 | 0 | 0 | 0 | 113.7 | | |
| 320 | P | 38.3 | Very low | 31.8 | Very low | 122 Ų | 122 | 144.1 Ų | 144.1 | 79% | 0.792 | 73% | 0.728 | S | S | * | * | | | | -145.1 | -176.6 | 86.7 | 40 | -24 | 0 | 0 | 0 | 115 | | |
| 321 | Q | 33.1 | Very low | 32.2 | Very low | 141 Ų | 141 | 140.4 Ų | 140.4 | 66% | 0.659 | 73% | 0.73 | S | S | * | * | | | | -160.4 | 129.1 | -64.8 | 177.3 | 167.5 | -8.7 | 0 | 0 | 111 | E323 | Q321-E323 PolarHBondContact NE2-OE1 2.95Š|
| 322 | D | 33.5 | Very low | 32.5 | Very low | 157 Ų | 157 | 142.1 Ų | 142.1 | 84% | 0.84 | 74% | 0.735 | S | S | * | * | | | trans | -174.2 | 143.5 | 165.7 | -89.6 | -35.3 | 0 | 0 | 0 | 106.8 | | |
| 323 | E | 37.5 | Very low | 32.6 | Very low | 110 Ų | 110 | 137.1 Ų | 137.1 | 51% | 0.514 | 72% | 0.724 | S | S | . | * | | | cis | 78.5 | 122.9 | 2.1 | -58.3 | -174.2 | -115.1 | 0 | 0 | 116.4 | Q321 | Q321-E323 PolarHBondContact NE2-OE1 2.95Š|
| 324 | W | 39 | Very low | 32.9 | Very low | 212 Ų | 212 | 139.7 Ų | 139.7 | 80% | 0.803 | 73% | 0.731 | S | S | * | * | | | cis | -143.9 | -170.9 | -10.2 | -84.1 | 115.6 | 0 | 0 | 0 | 108.5 | | |
| 325 | T | 35.4 | Very low | 33.2 | Very low | 119 Ų | 119 | 143.2 Ų | 143.2 | 73% | 0.73 | 74% | 0.736 | S | S | * | * | | | cis | -155 | -168.3 | 12.4 | -27.8 | 0 | 0 | 0 | 0 | 108.7 | Y327 | T325-Y327 HydrophobicContact CG2-CD2 4.41Å; T325-Y327 HydrophobicContact CG2-CE2 4.29Å |
| 326 | G | 29.3 | Very low | 33.7 | Very low | 70 Ų | 70 | 142.6 Ų | 142.6 | 72% | 0.722 | 74% | 0.737 | S | S | * | * | | | trans | 171.4 | -24.5 | 161.9 | 0 | 0 | 0 | 0 | 0 | 123.3 | | |
| 327 | Y | 31.5 | Very low | 34.6 | Very low | 201 Ų | 201 | 140.1 Ų | 140.1 | 79% | 0.788 | 74% | 0.742 | S | S | * | * | | | trans | 56.3 | 103.8 | 171.5 | -81.1 | -85.3 | 0 | 0 | 0 | 122.6 | T325 | T325-Y327 HydrophobicContact CG2-CD2 4.41Å; T325-Y327 HydrophobicContact CG2-CE2 4.29Å |
| 328 | T | 34.2 | Very low | 35 | Very low | 112 Ų | 112 | 138.6 Ų | 138.6 | 69% | 0.687 | 74% | 0.742 | S | S | * | * | | | | 56.7 | 148.7 | 125.3 | 64.2 | 0 | 0 | 0 | 0 | 123.2 | | |
| 329 | P | 44.1 | Very low | 35.4 | Very low | 137 Ų | 137 | 143.2 Ų | 143.2 | 89% | 0.89 | 75% | 0.753 | S | S | * | * | | | | -125.5 | -174.1 | 88.7 | 38.7 | -33.3 | 0 | 0 | 0 | 114.6 | | |
| 330 | R | 30.8 | Very low | 35.6 | Very low | 215 Ų | 215 | 148.7 Ų | 148.7 | 81% | 0.811 | 76% | 0.761 | S | S | * | * | | | trans | -143.4 | 106.2 | -156.6 | 174.5 | -170.4 | 169.9 | -97.4 | 11.2 | 115.8 | | |
| 331 | G | 32.5 | Very low | 35.2 | Very low | 71 Ų | 71 | 150 Ų | 150 | 73% | 0.732 | 76% | 0.758 | S | S | * | * | | | trans | 64.3 | 174.9 | 137.9 | 0 | 0 | 0 | 0 | 0 | 122.2 | | |
| 332 | K | 33.1 | Very low | 35.4 | Very low | 159 Ų | 159 | 153.6 Ų | 153.6 | 69% | 0.691 | 77% | 0.766 | S | S | * | * | | | trans | 78.5 | 141.3 | 173.4 | -59.3 | -165.7 | 145.7 | -68 | 0 | 116.8 | | |
| 333 | D | 31.5 | Very low | 35.4 | Very low | 107 Ų | 107 | 151.6 Ų | 151.6 | 57% | 0.572 | 76% | 0.764 | S | S | * | * | | | cis | -159.7 | 174.3 | -9.6 | -99.2 | -17.4 | 0 | 0 | 0 | 110.3 | | |
| 334 | D | 32.4 | Very low | 35.2 | Very low | 145 Ų | 145 | 150.2 Ų | 150.2 | 78% | 0.775 | 78% | 0.78 | S | S | * | * | | | trans | 72.4 | 108.3 | 153.5 | -57.7 | -22.8 | 0 | 0 | 0 | 124.7 | | |
| 335 | E | 32 | Very low | 35.4 | Very low | 184 Ų | 184 | 145.7 Ų | 145.7 | 86% | 0.86 | 78% | 0.78 | S | S | * | * | | | | 75.6 | 138.6 | 126.9 | -157 | 161.4 | -137.1 | 0 | 0 | 123.1 | | |
| 336 | I | 41.3 | Very low | 35.2 | Very low | 147 Ų | 147 | 149.6 Ų | 149.6 | 75% | 0.754 | 78% | 0.783 | S | S | * | * | | | trans | -120.8 | 132.1 | 177.9 | -55.6 | 163.8 | 0 | 0 | 0 | 108.6 | | |
| 337 | P | 44.7 | Very low | 35.7 | Very low | 119 Ų | 119 | 151.9 Ų | 151.9 | 77% | 0.773 | 78% | 0.778 | S | S | * | * | | | trans | -140.5 | 126.5 | 135.7 | 33.4 | -19.2 | 0 | 0 | 0 | 114.5 | | |
| 338 | C | 39.3 | Very low | 36.2 | Very low | 113 Ų | 113 | 150 Ų | 150 | 76% | 0.764 | 77% | 0.774 | S | S | * | * | | | trans | -70.4 | 132.1 | 163.4 | -50.7 | 0 | 0 | 0 | 0 | 110.6 | | |
| 339 | R | 35.6 | Very low | 36.5 | Very low | 248 Ų | 248 | 149.7 Ų | 149.7 | 94% | 0.936 | 78% | 0.782 | S | S | * | * | | | trans | -174.5 | 162.5 | 148.3 | -110.9 | 158.1 | -178.1 | -173.4 | 0.2 | 115.7 | | |
| 340 | R | 38 | Very low | 36.6 | Very low | 233 Ų | 233 | 148.9 Ų | 148.9 | 88% | 0.879 | 77% | 0.768 | S | S | * | * | | | trans | 64.7 | 97.9 | 167.1 | -112 | 170.1 | 175.4 | -127.9 | 1.5 | 114.8 | | |
| 341 | M | 30 | Very low | 37.3 | Very low | 151 Ų | 151 | 142.3 Ų | 142.3 | 74% | 0.744 | 77% | 0.767 | S | S | * | * | | | | 57.3 | 134.7 | 58.2 | -60 | -173.7 | 69.4 | 0 | 0 | 116.2 | | |
| 342 | R | 37.4 | Very low | 37.5 | Very low | 215 Ų | 215 | 144.3 Ų | 144.3 | 81% | 0.811 | 76% | 0.761 | S | S | * | * | | | trans | 70.2 | 102.3 | 154.9 | -82.4 | -179.4 | 169.4 | 146.5 | -2.8 | 118.7 | | |
| 343 | S | 34.6 | Very low | 37.9 | Very low | 115 Ų | 115 | 143.4 Ų | 143.4 | 80% | 0.804 | 76% | 0.764 | S | S | * | * | | | | 41 | 119.1 | 119 | 62.2 | 0 | 0 | 0 | 0 | 119.4 | | |
| 344 | G | 33.6 | Very low | 38.4 | Very low | 82 Ų | 82 | 145.2 Ų | 145.2 | 85% | 0.845 | 77% | 0.773 | S | S | * | * | | | trans | 173.4 | 113.5 | 161 | 0 | 0 | 0 | 0 | 0 | 112.9 | | |
| 345 | S | 41.9 | Very low | 38.6 | Very low | 117 Ų | 117 | 143.2 Ų | 143.2 | 82% | 0.818 | 77% | 0.771 | S | S | * | * | | | trans | -93.9 | 126.6 | 175.8 | -53.8 | 0 | 0 | 0 | 0 | 111.4 | | |
| 346 | Y | 30.9 | Very low | 39 | Very low | 201 Ų | 201 | 137.6 Ų | 137.6 | 79% | 0.788 | 76% | 0.762 | S | S | * | * | | | trans | -162.4 | 109.1 | 151.9 | -146.7 | -101.7 | 0 | 0 | 0 | 108.4 | | |
| 347 | I | 40.1 | Very low | 38.7 | Very low | 118 Ų | 118 | 138.4 Ų | 138.4 | 61% | 0.605 | 77% | 0.768 | S | S | * | * | | | | 88.4 | 136.1 | 62.2 | -73 | 171.1 | 0 | 0 | 0 | 113.5 | | |
| 348 | K | 41.6 | Very low | 38.2 | Very low | 162 Ų | 162 | 138.1 Ų | 138.1 | 70% | 0.704 | 77% | 0.769 | S | S | * | * | | | trans | 69.3 | 107.9 | 168.4 | -89.5 | 178.7 | 172.9 | -178.9 | 0 | 119.7 | M350 | K348-M350 HydrophobicContact CD-SD 3.94Å; K348-M350 VanDerWaalsContact CE-SD 3.59Å; K348-M350 HydrophobicContact CG-SD 4.21Å |
| 349 | A | 41.5 | Very low | 37.8 | Very low | 104 Ų | 104 | 139.6 Ų | 139.6 | 86% | 0.86 | 77% | 0.769 | S | S | * | * | S | Bend | | -131.1 | 107.7 | 109.6 | 0 | 0 | 0 | 0 | 0 | 109.8 | | |
| 350 | M | 46.2 | Very low | 37.5 | Very low | 120 Ų | 120 | 133.3 Ų | 133.3 | 59% | 0.591 | 76% | 0.759 | S | S | * | * | | | trans | 2.9 | 131.4 | 166.6 | -51.9 | -53.1 | -62.8 | 0 | 0 | 120.1 | K348 D352 | K348-M350 HydrophobicContact CD-SD 3.94Å; K348-M350 VanDerWaalsContact CE-SD 3.59Å; K348-M350 HydrophobicContact CG-SD 4.21Å; M350-D352 WeakPolarHBondContact CE-OD1 3.3Å; M350-D352 VanDerWaalsContact CE-OD2 3.24Å; M350-D352 WeakPolarHBondContact CE-OD2 3.47Å |
| 351 | G | 44.5 | Very low | 37.6 | Very low | 78 Ų | 78 | 127.1 Ų | 127.1 | 80% | 0.804 | 75% | 0.751 | S | S | * | * | | | trans | -173.6 | 49.7 | 178.6 | 0 | 0 | 0 | 0 | 0 | 111.9 | | |
| 352 | D | 37.1 | Very low | 38 | Very low | 112 Ų | 112 | 125.8 Ų | 125.8 | 60% | 0.599 | 75% | 0.753 | S | S | * | * | | | trans | -61.7 | 152.9 | -174 | -48.5 | -25.8 | 0 | 0 | 0 | 111.8 | M350 | M350-D352 WeakPolarHBondContact CE-OD1 3.3Å; M350-D352 VanDerWaalsContact CE-OD2 3.24Å; M350-D352 WeakPolarHBondContact CE-OD2 3.47Å |
| 353 | D | 42.3 | Very low | 38.2 | Very low | 141 Ų | 141 | 124.7 Ų | 124.7 | 75% | 0.754 | 76% | 0.755 | S | S | * | * | | | cis | -158.3 | 157.2 | 3.9 | -125.2 | -25.3 | 0 | 0 | 0 | 111.3 | | |
| 354 | D | 40.8 | Very low | 38.4 | Very low | 144 Ų | 144 | 124.8 Ų | 124.8 | 77% | 0.77 | 75% | 0.753 | S | S | * | * | | | trans | 49.2 | 146 | 161 | -93.7 | -11.8 | 0 | 0 | 0 | 122.1 | | |
| 355 | S | 37.5 | Very low | 38.2 | Very low | 103 Ų | 103 | 126.1 Ų | 126.1 | 72% | 0.72 | 75% | 0.749 | S | S | * | * | | | cis | -173.5 | 137 | -21.4 | -123.3 | 0 | 0 | 0 | 0 | 110.5 | | |
| 356 | G | 39.8 | Very low | 38.1 | Very low | 66 Ų | 66 | 126.7 Ų | 126.7 | 68% | 0.68 | 75% | 0.75 | S | S | * | * | | | trans | 62 | 134 | 159.9 | 0 | 0 | 0 | 0 | 0 | 119.5 | | |
| 357 | D | 35.8 | Very low | 38.2 | Very low | 164 Ų | 164 | 126.3 Ų | 126.3 | 88% | 0.877 | 75% | 0.752 | S | S | * | * | | | cis | -147.8 | 142.7 | -5.1 | -78.4 | -50.2 | 0 | 0 | 0 | 110.1 | | |
| 358 | S | 34.1 | Very low | 37.8 | Very low | 113 Ų | 113 | 129 Ų | 129 | 79% | 0.79 | 77% | 0.766 | S | S | * | * | | | trans | -116.2 | 162.8 | 155.8 | -48.8 | 0 | 0 | 0 | 0 | 106.3 | | |
| 359 | D | 31.5 | Very low | 37.2 | Very low | 144 Ų | 144 | 125.6 Ų | 125.6 | 77% | 0.77 | 77% | 0.768 | S | S | * | * | | | cis | -164.9 | -160 | 17.1 | -153.6 | -34.1 | 0 | 0 | 0 | 109 | | |
| 360 | T | 29.2 | Very low | 36.7 | Very low | 117 Ų | 117 | 125.3 Ų | 125.3 | 72% | 0.718 | 77% | 0.766 | S | S | * | * | | | trans | 76.3 | 96.1 | 158.7 | 63.7 | 0 | 0 | 0 | 0 | 118.9 | | |
| 361 | S | 40.3 | Very low | 36.2 | Very low | 102 Ų | 102 | 131.2 Ų | 131.2 | 71% | 0.713 | 78% | 0.782 | S | S | * | * | | | trans | -57.9 | 152.9 | 142.1 | 175 | 0 | 0 | 0 | 0 | 111.1 | | |
| 362 | P | 36.9 | Very low | 35.8 | Very low | 123 Ų | 123 | 138.3 Ų | 138.3 | 80% | 0.799 | 78% | 0.784 | S | S | * | * | | | | -127 | 157.5 | 117 | 35.5 | -30.1 | 0 | 0 | 0 | 115.1 | | |
| 363 | K | 41.9 | Very low | 35.6 | Very low | 193 Ų | 193 | 141.2 Ų | 141.2 | 84% | 0.839 | 79% | 0.794 | S | S | * | * | | | trans | -69.6 | 159.7 | 176.1 | -68.1 | 166.3 | -176.1 | 170.9 | 0 | 110.5 | | |
| 364 | P | 39.1 | Very low | 35.1 | Very low | 117 Ų | 117 | 140.1 Ų | 140.1 | 76% | 0.76 | 80% | 0.798 | S | S | * | * | | | cis | -153.6 | 173.5 | 48.2 | 43.2 | -21.8 | 0 | 0 | 0 | 120.6 | | |
| 365 | S | 29.5 | Very low | 34.9 | Very low | 110 Ų | 110 | 141.9 Ų | 141.9 | 77% | 0.769 | 79% | 0.794 | S | S | * | * | | | trans | 1.7 | 145.9 | 138.6 | -55 | 0 | 0 | 0 | 0 | 119.1 | | |
| 366 | P | 38.8 | Very low | 34.8 | Very low | 128 Ų | 128 | 144.4 Ų | 144.4 | 83% | 0.831 | 80% | 0.799 | S | S | * | * | | | | -142.2 | 175.9 | 52.5 | 40.4 | -22 | 0 | 0 | 0 | 118.8 | | |
| 367 | K | 34.2 | Very low | 34.4 | Very low | 193 Ų | 193 | 151.3 Ų | 151.3 | 84% | 0.839 | 81% | 0.81 | S | S | * | * | | | trans | -80.6 | 155 | 174.9 | -46.7 | 159.9 | -176.7 | 172.5 | 0 | 110.2 | | |
| 368 | I | 30.7 | Very low | 34.4 | Very low | 174 Ų | 174 | 148.1 Ų | 148.1 | 89% | 0.892 | 81% | 0.807 | S | S | * | * | | | | -170.2 | 161.4 | 113.2 | -100.1 | 161.4 | 0 | 0 | 0 | 112.4 | | |
| 369 | A | 30.3 | Very low | 34.2 | Very low | 91 Ų | 91 | 149.1 Ų | 149.1 | 75% | 0.752 | 81% | 0.808 | S | S | * | * | | | trans | -43.6 | 145 | -167.7 | 0 | 0 | 0 | 0 | 0 | 119.8 | | |
| 370 | A | 30.8 | Very low | 34.2 | Very low | 98 Ų | 98 | 150.7 Ų | 150.7 | 81% | 0.81 | 81% | 0.811 | S | S | * | * | | | | -136.2 | 120.1 | 125.6 | 0 | 0 | 0 | 0 | 0 | 109.4 | | |
| 371 | R | 34.9 | Very low | 34.8 | Very low | 245 Ų | 245 | 150.6 Ų | 150.6 | 93% | 0.925 | 81% | 0.812 | S | S | * | * | | | trans | -141.5 | 69.6 | 168.1 | -168 | -176 | -178.6 | 176.7 | 1.5 | 109.9 | | |
| 372 | R | 36.7 | Very low | 34.3 | Very low | 226 Ų | 226 | 151 Ų | 151 | 85% | 0.853 | 82% | 0.816 | S | S | * | * | | | trans | -177.5 | 141.4 | 173.5 | -102 | 162.2 | -179.3 | 153 | -1.9 | 104.6 | | |
| 373 | E | 32.6 | Very low | 34.4 | Very low | 173 Ų | 173 | 153.3 Ų | 153.3 | 81% | 0.808 | 82% | 0.82 | S | S | * | * | | | cis | -106.1 | 159 | -3.7 | -68.9 | 81.4 | -123 | 0 | 0 | 113.4 | | |
| 374 | S | 32.8 | Very low | 34.2 | Very low | 119 Ų | 119 | 149.8 Ų | 149.8 | 83% | 0.832 | 82% | 0.815 | S | S | * | * | | | trans | -144.9 | 54.9 | 170.8 | 175 | 0 | 0 | 0 | 0 | 109.2 | | |
| 375 | Y | 36.4 | Very low | 33.9 | Very low | 180 Ų | 180 | 152.7 Ų | 152.7 | 71% | 0.706 | 82% | 0.818 | S | S | * | * | | | trans | -131.3 | 161.1 | 178.6 | -101.2 | -105.9 | 0 | 0 | 0 | 109.7 | | |
| 376 | L | 33.7 | Very low | 34.2 | Very low | 156 Ų | 156 | 156 Ų | 156 | 82% | 0.817 | 83% | 0.827 | S | S | * | * | | | trans | 74.5 | 47.6 | 175 | -51.7 | -179.7 | 0 | 0 | 0 | 119.1 | | |
| 377 | K | 31.9 | Very low | 33.9 | Very low | 211 Ų | 211 | 155.1 Ų | 155.1 | 92% | 0.917 | 82% | 0.819 | S | S | * | * | | | trans | -145.3 | 81.6 | 150.4 | -77.3 | -55 | 177.3 | -169 | 0 | 113.4 | | |
| 378 | A | 35.1 | Very low | 33.7 | Very low | 98 Ų | 98 | 151.4 Ų | 151.4 | 81% | 0.81 | 81% | 0.813 | S | S | * | * | | | trans | -156.4 | 32 | 171.3 | 0 | 0 | 0 | 0 | 0 | 115.5 | | |
| 379 | T | 31.2 | Very low | 33.7 | Very low | 133 Ų | 133 | 150.6 Ų | 150.6 | 82% | 0.816 | 81% | 0.809 | S | S | * | * | | | trans | -141.8 | 112.8 | 177.5 | 18.2 | 0 | 0 | 0 | 0 | 114 | | |
| 380 | Q | 30.7 | Very low | 33.5 | Very low | 177 Ų | 177 | 155.4 Ų | 155.4 | 83% | 0.827 | 81% | 0.813 | S | S | * | * | | | trans | 133.4 | 129.6 | 148.4 | -70.9 | -59.3 | -16.7 | 0 | 0 | 112.8 | | |
| 381 | P | 41.8 | Very low | 33.4 | Very low | 115 Ų | 115 | 159 Ų | 159 | 75% | 0.747 | 82% | 0.817 | S | S | * | * | | | trans | -98.8 | 152.4 | -169.1 | 37.9 | -33.9 | 0 | 0 | 0 | 114.1 | | |
| 382 | S | 30.1 | Very low | 33.1 | Very low | 112 Ų | 112 | 152.1 Ų | 152.1 | 78% | 0.783 | 81% | 0.807 | S | S | * | * | | | trans | -99.2 | 127.1 | 163 | 54.3 | 0 | 0 | 0 | 0 | 110.5 | | |
| 383 | L | 39.4 | Very low | 32.7 | Very low | 170 Ų | 170 | 146.2 Ų | 146.2 | 89% | 0.89 | 80% | 0.8 | S | S | * | * | | | trans | -102.5 | 83.2 | -167.7 | -160.4 | 170.3 | 0 | 0 | 0 | 111.7 | | |
| 384 | T | 37.6 | Very low | 32.6 | Very low | 119 Ų | 119 | 144.5 Ų | 144.5 | 73% | 0.73 | 79% | 0.792 | S | S | * | * | | | trans | -151 | 106.9 | 173.5 | 49.7 | 0 | 0 | 0 | 0 | 112.3 | | |
| 385 | E | 33.1 | Very low | 32.5 | Very low | 178 Ų | 178 | 146.5 Ų | 146.5 | 83% | 0.832 | 79% | 0.788 | S | S | * | * | | | | 176.3 | 124.6 | 115.6 | -97.7 | -172.9 | -161 | 0 | 0 | 111.7 | | |
| 386 | L | 35 | Very low | 32 | Very low | 180 Ų | 180 | 143.5 Ų | 143.5 | 94% | 0.942 | 79% | 0.793 | S | S | * | * | | | trans | -108.5 | 99.8 | 171 | -98 | 166.4 | 0 | 0 | 0 | 108.6 | | |
| 387 | T | 32.5 | Very low | 32.2 | Very low | 109 Ų | 109 | 141.5 Ų | 141.5 | 67% | 0.669 | 79% | 0.789 | S | S | * | * | | | trans | -129.6 | 91.7 | -179.9 | -49.7 | 0 | 0 | 0 | 0 | 112.1 | | |
| 388 | T | 30.8 | Very low | 32 | Very low | 115 Ų | 115 | 140.2 Ų | 140.2 | 71% | 0.706 | 78% | 0.784 | S | S | * | * | | | trans | -8.2 | 139.9 | 141.2 | 56 | 0 | 0 | 0 | 0 | 115.9 | | |
| 389 | L | 29.5 | Very low | 31.8 | Very low | 158 Ų | 158 | 144.1 Ų | 144.1 | 83% | 0.827 | 79% | 0.79 | S | S | * | * | | | cis | -141.1 | 176.1 | 13.7 | -61.9 | 170.6 | 0 | 0 | 0 | 107.5 | | |
| 390 | K | 27.2 | Very low | 31.8 | Very low | 191 Ų | 191 | 146.4 Ų | 146.4 | 83% | 0.83 | 79% | 0.792 | S | S | * | * | | | cis | -171.5 | 131 | 38 | -164.3 | -177 | -170.8 | -176.6 | 0 | 109.2 | | |
| 391 | I | 29.1 | Very low | 31.7 | Very low | 174 Ų | 174 | 145.8 Ų | 145.8 | 89% | 0.892 | 79% | 0.792 | S | S | * | * | | | trans | -116 | 141.3 | 172.4 | -61.7 | 176.7 | 0 | 0 | 0 | 109 | | |
| 392 | S | 27.3 | Very low | 31.2 | Very low | 101 Ų | 101 | 150.9 Ų | 150.9 | 71% | 0.706 | 80% | 0.797 | S | S | * | * | | | trans | -143.7 | 122 | 171.5 | 54.5 | 0 | 0 | 0 | 0 | 109.5 | | |
| 393 | S | 29.6 | Very low | 31.1 | Very low | 101 Ų | 101 | 150.9 Ų | 150.9 | 71% | 0.706 | 80% | 0.796 | S | S | * | * | | | trans | 54.9 | 127 | 161.6 | -80.8 | 0 | 0 | 0 | 0 | 117.9 | | |
| 394 | E | 29.3 | Very low | 30.7 | Very low | 138 Ų | 138 | 151 Ų | 151 | 65% | 0.645 | 79% | 0.792 | S | S | * | * | | | cis | -145.8 | 171.8 | 17.7 | -70.6 | -67.9 | 133.5 | 0 | 0 | 111.5 | | |
| 395 | H | 30.9 | Very low | 30.3 | Very low | 160 Ų | 160 | 150.1 Ų | 150.1 | 74% | 0.741 | 79% | 0.791 | S | S | * | * | | | trans | 47.3 | 102.4 | 154.5 | -44.1 | -33.1 | 0 | 0 | 0 | 121.2 | | |
| 396 | S | 25.7 | Very low | 30.1 | Very low | 118 Ų | 118 | 152.9 Ų | 152.9 | 83% | 0.825 | 80% | 0.795 | S | S | * | * | | | | 167 | 157.3 | 111.8 | -76.7 | 0 | 0 | 0 | 0 | 113.6 | | |
| 397 | P | 38.6 | Very low | 29.9 | Very low | 113 Ų | 113 | 153.1 Ų | 153.1 | 73% | 0.734 | 80% | 0.797 | S | S | * | * | | | trans | -105.7 | 145.8 | -168 | 38.3 | -32.4 | 0 | 0 | 0 | 116.3 | | |
| 398 | K | 27.8 | Very low | 29.7 | Very low | 185 Ų | 185 | 159.6 Ų | 159.6 | 80% | 0.804 | 81% | 0.809 | S | S | * | * | | | trans | 43.1 | 105.5 | 143.5 | -60 | -179.6 | 179.9 | -178.4 | 0 | 119.2 | | |
| 399 | L | 30.7 | Very low | 29.6 | Very low | 179 Ų | 179 | 158.7 Ų | 158.7 | 94% | 0.937 | 81% | 0.813 | S | S | * | * | | | | -125.7 | 135.6 | 129.7 | -75.2 | 177.5 | 0 | 0 | 0 | 108.9 | | |
| 400 | Q | 30.5 | Very low | 29.6 | Very low | 182 Ų | 182 | 158.2 Ų | 158.2 | 85% | 0.85 | 82% | 0.816 | S | S | * | * | | | trans | -105.6 | 115.2 | 175.4 | -67.5 | 177.5 | -95.1 | 0 | 0 | 108.6 | | |
| 401 | I | 30.1 | Very low | 29.6 | Very low | 164 Ų | 164 | 154.8 Ų | 154.8 | 84% | 0.841 | 82% | 0.816 | S | S | * | * | | | trans | -92.6 | 131.2 | 165.6 | -63.7 | -179.3 | 0 | 0 | 0 | 108.1 | | |
| 402 | R | 30.7 | Very low | 29.5 | Very low | 222 Ų | 222 | 155.7 Ų | 155.7 | 84% | 0.838 | 82% | 0.817 | S | S | * | * | | | trans | -118.8 | 86.1 | -168.3 | -179.7 | -161.1 | 175 | 106.2 | -2.3 | 110.3 | H404 | R402-H404 PolarHBondContact O-N 3.01Š|
| 403 | S | 27.5 | Very low | 29.5 | Very low | 111 Ų | 111 | 157.3 Ų | 157.3 | 78% | 0.776 | 82% | 0.822 | S | S | * | * | | | trans | -89.6 | 73.8 | 174.1 | 41.4 | 0 | 0 | 0 | 0 | 111.7 | | |
| 404 | H | 32.4 | Very low | 29.4 | Very low | 172 Ų | 172 | 157.6 Ų | 157.6 | 80% | 0.796 | 82% | 0.824 | S | S | * | * | | | trans | -142.6 | 82.5 | 175.9 | -95.1 | -49.5 | 0 | 0 | 0 | 112.8 | R402 | R402-H404 PolarHBondContact O-N 3.01Š|
| 405 | S | 29.2 | Very low | 29.4 | Very low | 102 Ų | 102 | 158.2 Ų | 158.2 | 71% | 0.713 | 83% | 0.83 | S | S | * | * | | | trans | -165.5 | 102.3 | 160 | 52 | 0 | 0 | 0 | 0 | 110.3 | | |
| 406 | Y | 27.6 | Very low | 29.2 | Very low | 235 Ų | 235 | 157.3 Ų | 157.3 | 92% | 0.922 | 83% | 0.831 | S | S | * | * | | | trans | 170.2 | 93.5 | 143.9 | -92.2 | -58.3 | 0 | 0 | 0 | 108.9 | | |
| 407 | L | 31.2 | Very low | 29.5 | Very low | 185 Ų | 185 | 163 Ų | 163 | 97% | 0.969 | 84% | 0.835 | S | S | * | * | | | trans | 170.4 | 81.2 | 151.9 | -92.8 | -168.3 | 0 | 0 | 0 | 108.4 | | |
| 408 | R | 28.6 | Very low | 29 | Very low | 246 Ų | 246 | 162.1 Ų | 162.1 | 93% | 0.928 | 83% | 0.831 | S | S | * | * | | | trans | -150.1 | 86.8 | 167.2 | 179.2 | -166.5 | -85.5 | 174 | -7.6 | 108.6 | | |
| 409 | A | 28.3 | Very low | 29 | Very low | 96 Ų | 96 | 160.4 Ų | 160.4 | 79% | 0.793 | 83% | 0.829 | S | S | * | * | | | trans | -160.9 | 36.3 | 176.9 | 0 | 0 | 0 | 0 | 0 | 115.5 | | |
| 410 | V | 28.6 | Very low | 28.8 | Very low | 147 Ų | 147 | 158.4 Ų | 158.4 | 89% | 0.891 | 82% | 0.82 | S | S | * | * | | | trans | -149.1 | 88.4 | 160.2 | -163.1 | 0 | 0 | 0 | 0 | 111.6 | | |
| 411 | S | 27.2 | Very low | 28.6 | Very low | 119 Ų | 119 | 154.1 Ų | 154.1 | 83% | 0.832 | 81% | 0.81 | S | S | * | * | | | trans | -175.2 | 81 | 155.9 | 60.7 | 0 | 0 | 0 | 0 | 112.9 | | |
| 412 | E | 28.8 | Very low | 28.6 | Very low | 193 Ų | 193 | 154.1 Ų | 154.1 | 90% | 0.902 | 81% | 0.811 | S | S | * | * | | | trans | -132.5 | 128 | 153.3 | -74.6 | -161.1 | 171.3 | 0 | 0 | 109.8 | | |
| 413 | V | 27.4 | Very low | 28.8 | Very low | 136 Ų | 136 | 150.3 Ų | 150.3 | 82% | 0.824 | 81% | 0.807 | S | S | * | * | | | trans | 173.5 | 146.5 | 145.5 | 146.2 | 0 | 0 | 0 | 0 | 109.4 | | |
| 414 | S | 26.7 | Very low | 29.5 | Very low | 107 Ų | 107 | 150.1 Ų | 150.1 | 75% | 0.748 | 80% | 0.803 | S | S | * | * | | | trans | 65.1 | 70.8 | 167.2 | 58.6 | 0 | 0 | 0 | 0 | 119.8 | | |
| 415 | I | 28.1 | Very low | 29.3 | Very low | 150 Ų | 150 | 146.7 Ų | 146.7 | 77% | 0.769 | 80% | 0.804 | S | S | * | * | | | trans | -27.8 | 156.2 | 141.8 | -20.4 | 175.6 | 0 | 0 | 0 | 116.5 | | |
| 416 | N | 27.8 | Very low | 29.1 | Very low | 141 Ų | 141 | 145.3 Ų | 145.3 | 75% | 0.754 | 81% | 0.807 | S | S | * | * | | | trans | 97.4 | 90.3 | 150.8 | -62 | -46.9 | 0 | 0 | 0 | 121.8 | | |
| 417 | R | 32.3 | Very low | 29.3 | Very low | 239 Ų | 239 | 141.8 Ų | 141.8 | 90% | 0.902 | 80% | 0.803 | S | S | * | * | | | | -176.1 | 114 | 121.3 | -99.5 | 175.5 | -175.8 | -112.4 | 2.4 | 107.8 | | |
| 418 | S | 27.1 | Very low | 29.2 | Very low | 93 Ų | 93 | 140.6 Ų | 140.6 | 65% | 0.65 | 80% | 0.797 | S | S | * | * | | | cis | 86.5 | 93.3 | 41.1 | 83.3 | 0 | 0 | 0 | 0 | 114.9 | | |
| 419 | L | 27.6 | Very low | 29.2 | Very low | 149 Ų | 149 | 135.4 Ų | 135.4 | 78% | 0.78 | 79% | 0.792 | S | S | * | * | | | trans | 58.1 | 136.2 | 150.1 | -90.1 | 69.5 | 0 | 0 | 0 | 121.7 | | |
| 420 | D | 27.4 | Very low | 29.1 | Very low | 138 Ų | 138 | 135.3 Ų | 135.3 | 74% | 0.738 | 79% | 0.786 | S | S | * | * | | | trans | 70.5 | 148.4 | 137.9 | -64.5 | 9 | 0 | 0 | 0 | 119.7 | | |
| 421 | S | 25.3 | Very low | 29.3 | Very low | 92 Ų | 92 | 134.2 Ų | 134.2 | 64% | 0.643 | 78% | 0.782 | S | S | * | * | | | cis | -158.2 | 168.6 | 5 | -137.2 | 0 | 0 | 0 | 0 | 113.9 | | |
| 422 | L | 32 | Very low | 29.6 | Very low | 164 Ų | 164 | 137.5 Ų | 137.5 | 86% | 0.859 | 78% | 0.781 | S | S | * | * | | | trans | 66.3 | 106.1 | 156.2 | -61.5 | 174.5 | 0 | 0 | 0 | 121.7 | | |
| 423 | D | 33.7 | Very low | 29.7 | Very low | 142 Ų | 142 | 138.4 Ų | 138.4 | 76% | 0.759 | 78% | 0.782 | S | S | * | * | | | trans | -67.1 | 160.1 | 131.7 | -160.1 | 51.1 | 0 | 0 | 0 | 108.1 | | |
| 424 | P | 43.4 | Very low | 30.1 | Very low | 106 Ų | 106 | 143.1 Ų | 143.1 | 69% | 0.688 | 79% | 0.786 | S | S | * | * | | | cis | -154.4 | 174 | 40.1 | 45.2 | -23.2 | 0 | 0 | 0 | 121.7 | | |
| 425 | A | 26.4 | Very low | 30.6 | Very low | 100 Ų | 100 | 143.1 Ų | 143.1 | 83% | 0.826 | 79% | 0.785 | S | S | * | * | | | trans | 65.8 | 122.9 | 145.4 | 0 | 0 | 0 | 0 | 0 | 121.1 | | |
| 426 | G | 26.3 | Very low | 31.1 | Very low | 74 Ų | 74 | 147.1 Ų | 147.1 | 76% | 0.763 | 79% | 0.791 | S | S | * | * | | | trans | -167.1 | 84 | 172.2 | 0 | 0 | 0 | 0 | 0 | 116.1 | | |
| 427 | L | 30.6 | Very low | 31.6 | Very low | 161 Ų | 161 | 146.2 Ų | 146.2 | 84% | 0.843 | 79% | 0.786 | S | S | * | * | | | trans | 63.9 | 94.3 | 156.4 | -53.7 | -179.9 | 0 | 0 | 0 | 120.2 | | |
| 428 | L | 30.3 | Very low | 32.1 | Very low | 159 Ų | 159 | 142.7 Ų | 142.7 | 83% | 0.832 | 78% | 0.78 | S | S | * | * | | | | 26 | 121.1 | 117.1 | -56.3 | 171.8 | 0 | 0 | 0 | 119.2 | | |
| 429 | T | 28.8 | Very low | 32.8 | Very low | 137 Ų | 137 | 142 Ų | 142 | 84% | 0.84 | 78% | 0.775 | S | S | * | * | | | | 173.2 | 138.8 | 111.1 | -71.2 | 0 | 0 | 0 | 0 | 110.8 | | |
| 430 | S | 26 | Very low | 33.6 | Very low | 94 Ų | 94 | 142.6 Ų | 142.6 | 66% | 0.657 | 77% | 0.768 | S | S | * | * | | | trans | -102 | 149.3 | 172.7 | -168.8 | 0 | 0 | 0 | 0 | 110.5 | | |
| 431 | P | 33.3 | Very low | 34.5 | Very low | 124 Ų | 124 | 143.3 Ų | 143.3 | 81% | 0.805 | 77% | 0.769 | S | S | * | * | | | | -140 | 163.4 | 105.4 | 35.1 | -21.2 | 0 | 0 | 0 | 115.1 | | |
| 432 | K | 33.2 | Very low | 35.7 | Very low | 188 Ų | 188 | 148.5 Ų | 148.5 | 82% | 0.817 | 77% | 0.774 | S | S | * | * | | | trans | -83.1 | 142.9 | -175.4 | -54.5 | 164.6 | -175.6 | 173.1 | 0 | 111.6 | | |
| 433 | F | 30.1 | Very low | 36.4 | Very low | 212 Ų | 212 | 143.9 Ų | 143.9 | 93% | 0.93 | 76% | 0.76 | S | S | * | * | | | trans | -134.2 | 163.6 | 154.2 | -113.2 | -88.9 | 0 | 0 | 0 | 112.1 | | |
| 434 | R | 36.7 | Very low | 36.6 | Very low | 236 Ų | 236 | 142.3 Ų | 142.3 | 89% | 0.891 | 75% | 0.749 | S | S | * | * | | | trans | -85.2 | 162.9 | -156.6 | -67.7 | -171.4 | 176.2 | -158.9 | 0.2 | 115.3 | | |
| 435 | S | 36 | Very low | 36.5 | Very low | 106 Ų | 106 | 142 Ų | 142 | 74% | 0.741 | 75% | 0.749 | S | S | * | * | | | trans | -66.1 | 139.1 | -177.3 | 44.6 | 0 | 0 | 0 | 0 | 114.2 | N437 | S435-N437 PolarHBondContact O-N 2.97Š|
| 436 | R | 39.8 | Very low | 37.5 | Very low | 235 Ų | 235 | 143.2 Ų | 143.2 | 89% | 0.887 | 75% | 0.747 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -77 | 41.7 | -178.3 | -162.3 | -175.2 | -173.6 | 172.8 | 1.8 | 113.2 | | |
| 437 | N | 37.8 | Very low | 38.4 | Very low | 122 Ų | 122 | 146.1 Ų | 146.1 | 65% | 0.652 | 74% | 0.743 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -110 | -16.7 | -167.3 | -152.8 | 21.6 | 0 | 0 | 0 | 115.6 | S435 | S435-N437 PolarHBondContact O-N 2.97Š|
| 438 | E | 43 | Very low | 38.8 | Very low | 164 Ų | 164 | 143.5 Ų | 143.5 | 77% | 0.766 | 74% | 0.739 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -87.6 | -16.9 | 178.4 | -81.2 | -172.4 | 104.1 | 0 | 0 | 114.5 | | |
| 439 | S | 41.3 | Very low | 39.3 | Very low | 79 Ų | 79 | 144.7 Ų | 144.7 | 55% | 0.552 | 74% | 0.74 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -76.4 | -30.9 | -179.2 | 52.5 | 0 | 0 | 0 | 0 | 113.5 | R442 | S439-R442 PolarHBondContact O-N 3.31Š|
| 440 | Y | 43.7 | Very low | 39.6 | Very low | 162 Ų | 162 | 145.1 Ų | 145.1 | 64% | 0.635 | 74% | 0.742 | S | S | * | * | H | α-helix | trans | -70.1 | -43.8 | -172 | -166.7 | -108.2 | 0 | 0 | 0 | 112.7 | R442 A443 M444 | Y440-R442 PolarHBondContact O-N 3.17Å; Y440-A443 PolarHBondContact O-N 3.18Å; Y440-M444 HydrophobicContact CE1-CG 4.45Å |
| 441 | M | 46.8 | Very low | 40.3 | Very low | 153 Ų | 153 | 144.8 Ų | 144.8 | 75% | 0.754 | 74% | 0.74 | S | S | * | * | H | α-helix | trans | -67 | -19.9 | 179.8 | -62.7 | -157.3 | -59.3 | 0 | 0 | 113.9 | | |
| 442 | R | 50.2 | Low | 40.9 | Very low | 200 Ų | 200 | 148.6 Ų | 148.6 | 76% | 0.755 | 75% | 0.747 | S | S | * | * | H | α-helix | trans | -83.2 | -30.4 | 178.7 | -161.6 | 172 | -63.6 | 174.9 | 3.9 | 112.9 | S439 Y440 | S439-R442 PolarHBondContact O-N 3.31Å; Y440-R442 PolarHBondContact O-N 3.17Å |
| 443 | A | 46.5 | Very low | 41.8 | Very low | 67 Ų | 67 | 147.4 Ų | 147.4 | 55% | 0.554 | 75% | 0.746 | S | S | * | * | H | α-helix | trans | -74.7 | -33.4 | 178.8 | 0 | 0 | 0 | 0 | 0 | 113.1 | Y440 S445 | Y440-A443 PolarHBondContact O-N 3.18Å; A443-S445 PolarHBondContact O-N 2.96Å |
| 444 | M | 38.2 | Very low | 42.7 | Very low | 109 Ų | 109 | 145.5 Ų | 145.5 | 54% | 0.537 | 74% | 0.74 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -69.9 | -12.9 | -179.2 | -70 | -64.3 | -68 | 0 | 0 | 114.4 | Y440 | Y440-M444 HydrophobicContact CE1-CG 4.45Š|
| 445 | S | 41.8 | Very low | 43.4 | Very low | 100 Ų | 100 | 141.3 Ų | 141.3 | 70% | 0.699 | 74% | 0.74 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -82.7 | -14.1 | -170.7 | -155.2 | 0 | 0 | 0 | 0 | 114.8 | A443 | A443-S445 PolarHBondContact O-N 2.96Š|
| 446 | T | 46.5 | Very low | 43.9 | Very low | 126 Ų | 126 | 143.3 Ų | 143.3 | 77% | 0.773 | 74% | 0.743 | S | S | * | * | S | Bend | trans | -109.1 | -6.4 | -175.9 | 51.4 | 0 | 0 | 0 | 0 | 114.8 | | |
| 447 | I | 44.8 | Very low | 44.3 | Very low | 134 Ų | 134 | 135.2 Ų | 135.2 | 69% | 0.687 | 73% | 0.732 | S | S | * | * | S | Bend | trans | -101.5 | 2.8 | -176.7 | -155.3 | 161.7 | 0 | 0 | 0 | 113.6 | Q449 | I447-Q449 PolarHBondContact O-N 3.31Š|
| 448 | S | 41 | Very low | 44.5 | Very low | 107 Ų | 107 | 136.7 Ų | 136.7 | 75% | 0.748 | 74% | 0.735 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -95.9 | 26.9 | -178.3 | -156.1 | 0 | 0 | 0 | 0 | 113.8 | | |
| 449 | Q | 40.7 | Very low | 44.5 | Very low | 184 Ų | 184 | 137 Ų | 137 | 86% | 0.86 | 73% | 0.734 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -137.9 | 8.5 | -178.5 | -73.1 | -162.2 | -12.2 | 0 | 0 | 115.8 | I447 | I447-Q449 PolarHBondContact O-N 3.31Š|
| 450 | V | 34.5 | Very low | 44.8 | Very low | 146 Ų | 146 | 140.5 Ų | 140.5 | 89% | 0.885 | 74% | 0.742 | S | S | * | * | S | Bend | trans | -131.7 | 97.9 | 169.5 | -174.6 | 0 | 0 | 0 | 0 | 108.7 | | |
| 451 | S | 40.5 | Very low | 44.9 | Very low | 86 Ų | 86 | 135.6 Ų | 135.6 | 60% | 0.601 | 73% | 0.731 | S | S | * | * | | | trans | -106.1 | 129.4 | -171.7 | 57.2 | 0 | 0 | 0 | 0 | 112.9 | M453 | S451-M453 VanDerWaalsContact C-N 3.27Å; S451-M453 PolarHBondContact O-N 3.41Å |
| 452 | E | 45.3 | Very low | 44.8 | Very low | 204 Ų | 204 | 132.7 Ų | 132.7 | 95% | 0.953 | 72% | 0.722 | S | S | * | * | S | Bend | trans | 42.5 | 29.7 | 131.5 | -54.5 | -173.3 | 138.8 | 0 | 0 | 119.9 | | |
| 453 | M | 51.8 | Low | 44.4 | Very low | 164 Ų | 164 | 126.8 Ų | 126.8 | 81% | 0.808 | 71% | 0.71 | S | S | * | * | S | Bend | trans | -104.4 | -26.9 | -176.7 | -166 | 66.8 | 73.7 | 0 | 0 | 114.5 | S451 | S451-M453 VanDerWaalsContact C-N 3.27Å; S451-M453 PolarHBondContact O-N 3.41Å |
| 454 | E | 50.3 | Low | 44.4 | Very low | 172 Ų | 172 | 130.6 Ų | 130.6 | 80% | 0.804 | 72% | 0.717 | S | S | * | * | S | Bend | trans | -113.6 | -7.1 | -166.1 | -70.8 | -177.3 | 128.1 | 0 | 0 | 115.9 | | |
| 455 | V | 50.2 | Low | 44.6 | Very low | 147 Ų | 147 | 129.6 Ų | 129.6 | 89% | 0.891 | 72% | 0.72 | S | S | * | * | S | Bend | trans | -109.7 | 41 | -177.2 | -158.6 | 0 | 0 | 0 | 0 | 112.5 | | |
| 456 | N | 46.3 | Very low | 44.7 | Very low | 149 Ų | 149 | 129.8 Ų | 129.8 | 80% | 0.797 | 72% | 0.717 | S | S | * | * | S | Bend | trans | -142.1 | -15.6 | 170.2 | -139 | 27.7 | 0 | 0 | 0 | 114.4 | | |
| 457 | G | 49.1 | Very low | 44.4 | Very low | 64 Ų | 64 | 131.9 Ų | 131.9 | 66% | 0.66 | 72% | 0.716 | S | S | * | * | S | Bend | trans | -90.4 | 2.4 | -177.7 | 0 | 0 | 0 | 0 | 0 | 116.2 | | |
| 458 | Q | 41.9 | Very low | 44.2 | Very low | 153 Ų | 153 | 129.7 Ų | 129.7 | 72% | 0.715 | 71% | 0.713 | S | S | * | * | S | Bend | trans | -124.6 | 2.5 | -166.2 | -154.1 | 165.4 | 8.2 | 0 | 0 | 114.8 | V462 | Q458-V462 WeakPolarHBondContact O-CG2 3.49Š|
| 459 | F | 43.1 | Very low | 44.2 | Very low | 170 Ų | 170 | 132.9 Ų | 132.9 | 75% | 0.746 | 72% | 0.715 | S | S | * | * | S | Bend | trans | -94.4 | -34.3 | 169.1 | -169.3 | -106.5 | 0 | 0 | 0 | 111.9 | | |
| 460 | E | 47.6 | Very low | 44.5 | Very low | 154 Ų | 154 | 131.7 Ų | 131.7 | 72% | 0.72 | 71% | 0.714 | S | S | * | * | H | α-helix | trans | -69.2 | -44.7 | -176.7 | -157.7 | 158.5 | -139.6 | 0 | 0 | 112 | V462 C463 E464 | E460-V462 VanDerWaalsContact C-N 3.28Å; E460-V462 PolarHBondContact O-N 2.92Å; E460-C463 PolarHBondContact O-N 2.93Å; E460-E464 PolarHBondContact O-N 3.25Å |
| 461 | S | 44.9 | Very low | 44.8 | Very low | 58 Ų | 58 | 133.4 Ų | 133.4 | 41% | 0.406 | 71% | 0.712 | S | S | . | * | H | α-helix | trans | -66.7 | -22.8 | 179.8 | 58.7 | 0 | 0 | 0 | 0 | 114.8 | S465 | S461-S465 WeakPolarHBondContact O-CB 3.46Å; S461-S465 PolarHBondContact O-N 3.31Å; S461-S465 VanDerWaalsContact O-N 3.17Å |
| 462 | V | 45.7 | Very low | 44.8 | Very low | 93 Ų | 93 | 134.1 Ų | 134.1 | 56% | 0.564 | 72% | 0.718 | S | S | * | * | H | α-helix | trans | -78.4 | -28.7 | 176.8 | -179.6 | 0 | 0 | 0 | 0 | 111.4 | Q458 E460 | Q458-V462 WeakPolarHBondContact O-CG2 3.49Å; E460-V462 VanDerWaalsContact C-N 3.28Å; E460-V462 PolarHBondContact O-N 2.92Å |
| 463 | C | 41.7 | Very low | 44.5 | Very low | 75 Ų | 75 | 134 Ų | 134 | 51% | 0.507 | 72% | 0.717 | S | S | . | * | H | α-helix | trans | -76.1 | -37.3 | 172.1 | -70.6 | 0 | 0 | 0 | 0 | 111.9 | E460 | E460-C463 PolarHBondContact O-N 2.93Å |
| 464 | E | 46.9 | Very low | 43.7 | Very low | 148 Ų | 148 | 130.7 Ų | 130.7 | 69% | 0.692 | 72% | 0.716 | S | S | * | * | H | α-helix | trans | -69.3 | -38.7 | -179.7 | -160.8 | 167.6 | -145.1 | 0 | 0 | 112.2 | E460 V466 | E460-E464 PolarHBondContact O-N 3.25Å; E464-V466 VanDerWaalsContact C-N 3.3Å; E464-V466 PolarHBondContact O-N 3.34Å |
| 465 | S | 41.7 | Very low | 42.9 | Very low | 87 Ų | 87 | 128.9 Ų | 128.9 | 61% | 0.608 | 72% | 0.716 | S | S | * | * | H | α-helix | trans | -70.9 | -13.4 | -176.3 | -169 | 0 | 0 | 0 | 0 | 115.8 | S461 | S461-S465 WeakPolarHBondContact O-CB 3.46Å; S461-S465 PolarHBondContact O-N 3.31Å; S461-S465 VanDerWaalsContact O-N 3.17Å |
| 466 | V | 44.6 | Very low | 42.1 | Very low | 105 Ų | 105 | 128.3 Ų | 128.3 | 64% | 0.636 | 70% | 0.704 | S | S | * | * | H | α-helix | trans | -101.1 | -17.8 | -175.3 | -178.1 | 0 | 0 | 0 | 0 | 112.7 | E464 | E464-V466 VanDerWaalsContact C-N 3.3Å; E464-V466 PolarHBondContact O-N 3.34Å |
| 467 | F | 40.5 | Very low | 41.4 | Very low | 169 Ų | 169 | 123.6 Ų | 123.6 | 74% | 0.741 | 69% | 0.686 | S | S | * | * | H | α-helix | trans | -95.4 | -20.1 | 174.6 | -78.4 | -83 | 0 | 0 | 0 | 113.5 | E469 | F467-E469 PolarHBondContact O-N 2.83Å |
| 468 | S | 40.4 | Very low | 40.7 | Very low | 89 Ų | 89 | 127.3 Ų | 127.3 | 62% | 0.622 | 69% | 0.69 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -72 | -10 | 179.9 | -166.6 | 0 | 0 | 0 | 0 | 114.9 | | |
| 469 | E | 40.3 | Very low | 40.1 | Very low | 173 Ų | 173 | 126.6 Ų | 126.6 | 81% | 0.808 | 69% | 0.691 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -92.2 | -8.5 | -177.3 | -163.5 | 165.8 | -151.7 | 0 | 0 | 113.4 | F467 | F467-E469 PolarHBondContact O-N 2.83Š|
| 470 | L | 46.5 | Very low | 39.8 | Very low | 160 Ų | 160 | 125.1 Ų | 125.1 | 84% | 0.838 | 69% | 0.69 | S | S | * | * | S | Bend | trans | -100.5 | -4.4 | -177.1 | -166.1 | 55.8 | 0 | 0 | 0 | 114.5 | | |
| 471 | E | 40.8 | Very low | 39.6 | Very low | 181 Ų | 181 | 123.7 Ų | 123.7 | 85% | 0.846 | 69% | 0.694 | S | S | * | * | S | Bend | trans | -117.1 | 47.2 | 178.7 | -159.7 | 172.4 | -163.1 | 0 | 0 | 111.5 | | |
| 472 | S | 41.1 | Very low | 39.6 | Very low | 102 Ų | 102 | 128.4 Ų | 128.4 | 71% | 0.713 | 71% | 0.712 | S | S | * | * | | | trans | -148.4 | 43.2 | -178.4 | -72.9 | 0 | 0 | 0 | 0 | 114 | | |
| 473 | Q | 39.3 | Very low | 39.4 | Very low | 200 Ų | 200 | 130.1 Ų | 130.1 | 94% | 0.935 | 72% | 0.724 | S | S | * | * | S | Bend | trans | -144.6 | 43.8 | 168 | -152.4 | 171.5 | 9.6 | 0 | 0 | 114.7 | | |
| 474 | A | 33.8 | Very low | 38.8 | Very low | 95 Ų | 95 | 129.4 Ų | 129.4 | 79% | 0.785 | 73% | 0.73 | S | S | * | * | | | trans | -165.8 | 134.1 | 163.1 | 0 | 0 | 0 | 0 | 0 | 107.4 | | |
| 475 | V | 33.8 | Very low | 37.9 | Very low | 134 Ų | 134 | 127.9 Ų | 127.9 | 81% | 0.812 | 73% | 0.734 | S | S | * | * | | | cis | -137.9 | 142.9 | 7.8 | -179.5 | 0 | 0 | 0 | 0 | 109.2 | | |
| 476 | E | 34.7 | Very low | 37.3 | Very low | 135 Ų | 135 | 132.7 Ų | 132.7 | 63% | 0.631 | 75% | 0.745 | S | S | * | * | | | trans | -135.4 | 165.3 | 164.3 | -162 | 167.5 | 152.6 | 0 | 0 | 108.5 | T958 | E476-T958 VanDerWaalsContact OE1-CB 3.26Å; E476-T958 WeakPolarHBondContact OE1-CB 3.26Å; E476-T958 PolarHBondContact OE1-OG1 3.04Å; E476-T958 WeakPolarHBondContact OE2-CG2 3.42Å |
| 477 | A | 29.9 | Very low | 36.7 | Very low | 50 Ų | 50 | 137.7 Ų | 137.7 | 41% | 0.413 | 75% | 0.752 | S | S | . | * | | | trans | 70.3 | 124 | -153.2 | 0 | 0 | 0 | 0 | 0 | 112.9 | | |
| 478 | L | 34.9 | Very low | 36.2 | Very low | 142 Ų | 142 | 135.7 Ų | 135.7 | 74% | 0.743 | 75% | 0.747 | S | S | * | * | | | cis | 71.5 | 142.7 | 31.8 | -49.9 | 176.6 | 0 | 0 | 0 | 112.6 | | |
| 479 | D | 29.8 | Very low | 36 | Very low | 138 Ų | 138 | 141.2 Ų | 141.2 | 74% | 0.738 | 75% | 0.754 | S | S | * | * | | | cis | -148.3 | -175.8 | -24 | -164 | 6.9 | 0 | 0 | 0 | 109.8 | | |
| 480 | L | 36.8 | Very low | 35.6 | Very low | 139 Ų | 139 | 137.9 Ų | 137.9 | 73% | 0.728 | 75% | 0.749 | S | S | * | * | | | trans | -57.2 | 163.7 | 179.6 | -74.5 | 169.7 | 0 | 0 | 0 | 115.5 | | |
| 481 | P | 43.6 | Very low | 35.1 | Very low | 125 Ų | 125 | 139.1 Ų | 139.1 | 81% | 0.812 | 75% | 0.751 | S | S | * | * | | | cis | -151 | 174.9 | 43.8 | 41.7 | -19.2 | 0 | 0 | 0 | 121.4 | | |
| 482 | M | 43.9 | Very low | 35.2 | Very low | 157 Ų | 157 | 134.8 Ų | 134.8 | 77% | 0.773 | 74% | 0.74 | S | S | * | * | | | trans | -84.2 | 154.5 | 176.2 | -78.1 | -75.6 | -65.3 | 0 | 0 | 113.7 | | |
| 483 | P | 42 | Very low | 34.6 | Very low | 128 Ų | 128 | 140.5 Ų | 140.5 | 83% | 0.831 | 75% | 0.748 | S | S | * | * | | | | -152.5 | 168.9 | 88.5 | 39.2 | -20.6 | 0 | 0 | 0 | 116.8 | | |
| 484 | G | 28.6 | Very low | 34.5 | Very low | 61 Ų | 61 | 136.1 Ų | 136.1 | 63% | 0.629 | 73% | 0.734 | S | S | * | * | | | trans | -171.5 | -10.2 | 179 | 0 | 0 | 0 | 0 | 0 | 126.6 | | |
| 485 | C | 30 | Very low | 35 | Very low | 115 Ų | 115 | 143.2 Ų | 143.2 | 78% | 0.777 | 74% | 0.741 | S | S | * | * | | | trans | 56.1 | 163.8 | 161 | -65.3 | 0 | 0 | 0 | 0 | 124.1 | | |
| 486 | F | 28.1 | Very low | 35.1 | Very low | 188 Ų | 188 | 140.7 Ų | 140.7 | 83% | 0.825 | 73% | 0.734 | S | S | * | * | | | trans | 71.4 | 132.4 | 174.1 | -59.2 | -87.3 | 0 | 0 | 0 | 117.5 | | |
| 487 | R | 31.5 | Very low | 35.2 | Very low | 210 Ų | 210 | 142.2 Ų | 142.2 | 79% | 0.792 | 75% | 0.745 | S | S | * | * | | | cis | 73.7 | 139.4 | 46.3 | -75.7 | -167.5 | 176.8 | -144.9 | 7.9 | 113 | | |
| 488 | M | 30.8 | Very low | 35.6 | Very low | 127 Ų | 127 | 147.3 Ų | 147.3 | 63% | 0.626 | 76% | 0.76 | S | S | * | * | | | cis | -161.9 | 165.5 | 10 | -140.5 | 169.6 | 45.4 | 0 | 0 | 114.1 | | |
| 489 | R | 35.3 | Very low | 35.6 | Very low | 206 Ų | 206 | 150.2 Ų | 150.2 | 78% | 0.777 | 77% | 0.767 | S | S | * | * | | | trans | 29.1 | 110.6 | 143.6 | -86.1 | 179.2 | 174.1 | 163.2 | -3.2 | 121.8 | | |
| 490 | S | 33 | Very low | 35.6 | Very low | 102 Ų | 102 | 147 Ų | 147 | 71% | 0.713 | 77% | 0.766 | S | S | * | * | | | | 51.4 | 133.6 | 117.3 | 68.6 | 0 | 0 | 0 | 0 | 123.9 | | |
| 491 | H | 35.5 | Very low | 35.3 | Very low | 187 Ų | 187 | 146.7 Ų | 146.7 | 87% | 0.866 | 77% | 0.774 | S | S | * | * | | | trans | 98.3 | 154.2 | 143.6 | -123.1 | 63.3 | 0 | 0 | 0 | 119.4 | | |
| 492 | S | 43.7 | Very low | 34.8 | Very low | 89 Ų | 89 | 145.5 Ų | 145.5 | 62% | 0.622 | 77% | 0.769 | S | S | * | * | | | trans | -73.6 | 139.3 | -160.6 | 52 | 0 | 0 | 0 | 0 | 115.8 | | |
| 493 | Y | 28.5 | Very low | 34.2 | Very low | 223 Ų | 223 | 145.9 Ų | 145.9 | 88% | 0.875 | 77% | 0.769 | S | S | * | * | | | trans | -159.5 | 179.6 | 138.8 | -133.5 | -101.2 | 0 | 0 | 0 | 111.2 | | |
| 494 | V | 36 | Very low | 33.7 | Very low | 108 Ų | 108 | 146 Ų | 146 | 66% | 0.655 | 76% | 0.763 | S | S | * | * | | | trans | 65.3 | 80.3 | 172.3 | -159.5 | 0 | 0 | 0 | 0 | 116.7 | | |
| 495 | R | 43.6 | Very low | 34 | Very low | 244 Ų | 244 | 150.2 Ų | 150.2 | 92% | 0.921 | 77% | 0.77 | S | S | * | * | | | | -97.1 | 162.7 | 116 | -82.1 | -164.4 | -68.8 | -119 | 0.6 | 108 | | |
| 496 | A | 36.8 | Very low | 34.3 | Very low | 81 Ų | 81 | 154 Ų | 154 | 67% | 0.669 | 78% | 0.777 | S | S | * | * | | | trans | 67.3 | 90.8 | -174.9 | 0 | 0 | 0 | 0 | 0 | 115.1 | | |
| 497 | I | 37 | Very low | 34.3 | Very low | 166 Ų | 166 | 150.9 Ų | 150.9 | 85% | 0.851 | 78% | 0.777 | S | S | * | * | | | | -118.8 | 119.5 | 116.9 | -61.9 | -178.3 | 0 | 0 | 0 | 105.7 | | |
| 498 | E | 37.9 | Very low | 34.2 | Very low | 158 Ų | 158 | 148.9 Ų | 148.9 | 74% | 0.738 | 78% | 0.78 | S | S | * | * | | | trans | -105.1 | 151.9 | 168.6 | -70.1 | -173.2 | 95.4 | 0 | 0 | 109.2 | | |
| 499 | K | 35.4 | Very low | 34 | Very low | 203 Ų | 203 | 147 Ų | 147 | 88% | 0.883 | 78% | 0.779 | S | S | * | * | | | trans | 60.8 | 121.2 | 154.9 | -57.9 | -106.4 | -178.6 | 177.1 | 0 | 118.4 | | |
| 500 | G | 30.1 | Very low | 33.8 | Very low | 71 Ų | 71 | 144.7 Ų | 144.7 | 73% | 0.732 | 78% | 0.781 | S | S | * | * | | | trans | 164.7 | 113.5 | 152.2 | 0 | 0 | 0 | 0 | 0 | 115.7 | | |
| 501 | C | 30.3 | Very low | 33.5 | Very low | 132 Ų | 132 | 151 Ų | 151 | 89% | 0.892 | 79% | 0.79 | S | S | * | * | | | trans | 64.3 | 152.7 | 159.9 | -55.2 | 0 | 0 | 0 | 0 | 117.7 | | |
| 502 | S | 32.9 | Very low | 33.1 | Very low | 100 Ų | 100 | 147.1 Ų | 147.1 | 70% | 0.699 | 78% | 0.784 | S | S | * | * | | | cis | -162.5 | 130.4 | -19.1 | 43.9 | 0 | 0 | 0 | 0 | 106.8 | | |
| 503 | Q | 30.8 | Very low | 32.3 | Very low | 164 Ų | 164 | 148.6 Ų | 148.6 | 77% | 0.766 | 79% | 0.794 | S | S | * | * | | | | 60.8 | 110.6 | 101.2 | -160.7 | -159.9 | -56.5 | 0 | 0 | 114.6 | | |
| 504 | D | 31.2 | Very low | 32.4 | Very low | 132 Ų | 132 | 143.2 Ų | 143.2 | 71% | 0.706 | 79% | 0.789 | S | S | * | * | | | | 177.7 | 170.2 | 125.3 | -84 | -18.3 | 0 | 0 | 0 | 110 | | |
| 505 | D | 35.1 | Very low | 32.9 | Very low | 148 Ų | 148 | 143.8 Ų | 143.8 | 79% | 0.791 | 80% | 0.795 | S | S | * | * | | | trans | -93.9 | 158.4 | -156.6 | -60.1 | -88.8 | 0 | 0 | 0 | 117.2 | | |
| 506 | E | 36.3 | Very low | 32.4 | Very low | 195 Ų | 195 | 138.2 Ų | 138.2 | 91% | 0.911 | 79% | 0.79 | S | S | * | * | | | | -177.1 | 160.5 | 106.2 | -95.4 | -162 | 146 | 0 | 0 | 112.8 | | |
| 507 | C | 28.4 | Very low | 32 | Very low | 122 Ų | 122 | 146 Ų | 146 | 82% | 0.824 | 80% | 0.802 | S | S | * | * | | | trans | -147.1 | 124 | -172.8 | 176.6 | 0 | 0 | 0 | 0 | 113.2 | | |
| 508 | I | 29.6 | Very low | 31.6 | Very low | 169 Ų | 169 | 145.1 Ų | 145.1 | 87% | 0.867 | 81% | 0.805 | S | S | * | * | | | trans | -169.7 | 147.2 | 169.6 | -97.4 | 140.4 | 0 | 0 | 0 | 107.6 | | |
| 509 | S | 26.8 | Very low | 31.2 | Very low | 86 Ų | 86 | 143.5 Ų | 143.5 | 60% | 0.601 | 81% | 0.806 | S | S | * | * | | | cis | -170 | 136.9 | -26.4 | -173.9 | 0 | 0 | 0 | 0 | 108.7 | | |
| 510 | L | 31.2 | Very low | 31 | Very low | 158 Ų | 158 | 138.9 Ų | 138.9 | 83% | 0.827 | 80% | 0.795 | S | S | * | * | | | trans | 44.5 | 130.2 | 158.2 | -58.9 | 168.5 | 0 | 0 | 0 | 118.9 | | |
| 511 | R | 26.5 | Very low | 30.9 | Very low | 234 Ų | 234 | 141.7 Ų | 141.7 | 88% | 0.883 | 80% | 0.798 | S | S | * | * | | | | -177.7 | 141.7 | 56.5 | -144.2 | -177.1 | -168 | -160.5 | 4.5 | 113.1 | | |
| 512 | S | 27.2 | Very low | 30.8 | Very low | 106 Ų | 106 | 140.1 Ų | 140.1 | 74% | 0.741 | 78% | 0.784 | S | S | * | * | | | trans | 41.8 | 144.2 | 141.1 | -158.6 | 0 | 0 | 0 | 0 | 124.5 | | |
| 513 | S | 27.7 | Very low | 30.7 | Very low | 120 Ų | 120 | 145.3 Ų | 145.3 | 84% | 0.839 | 79% | 0.789 | S | S | * | * | | | trans | 106.1 | 150.2 | 145.9 | 77.9 | 0 | 0 | 0 | 0 | 119.2 | | |
| 514 | S | 30.3 | Very low | 30.6 | Very low | 110 Ų | 110 | 143 Ų | 143 | 77% | 0.769 | 79% | 0.786 | S | S | * | * | | | trans | -112.6 | 172 | -164 | 54.6 | 0 | 0 | 0 | 0 | 111.7 | | |
| 515 | P | 45.3 | Very low | 30.5 | Very low | 120 Ų | 120 | 143.4 Ų | 143.4 | 78% | 0.779 | 79% | 0.786 | S | S | * | * | P | Polyproline II helix | trans | -85.8 | 150.5 | -150.3 | 33.1 | -36.6 | 0 | 0 | 0 | 115.4 | | |
| 516 | P | 33 | Very low | 30 | Very low | 127 Ų | 127 | 144.3 Ų | 144.3 | 83% | 0.825 | 79% | 0.786 | S | S | * | * | P | Polyproline II helix | trans | -83.5 | 148 | 170.2 | 34 | -33.7 | 0 | 0 | 0 | 112.8 | | |
| 517 | R | 29.5 | Very low | 29.6 | Very low | 245 Ų | 245 | 139.8 Ų | 139.8 | 93% | 0.925 | 78% | 0.776 | S | S | * | * | P | Polyproline II helix | trans | -77.9 | 152.7 | 163.9 | -71.2 | 166.9 | 158.9 | 155.5 | -9.9 | 110.6 | | |
| 518 | T | 29.1 | Very low | 29.6 | Very low | 148 Ų | 148 | 138.8 Ų | 138.8 | 91% | 0.908 | 77% | 0.77 | S | S | * | * | | | trans | -121.8 | 150.6 | 148.7 | 48 | 0 | 0 | 0 | 0 | 109.1 | | |
| 519 | T | 29.2 | Very low | 29.6 | Very low | 123 Ų | 123 | 137.7 Ų | 137.7 | 76% | 0.755 | 77% | 0.771 | S | S | * | * | | | trans | -125.3 | 129.6 | -166.1 | -163.2 | 0 | 0 | 0 | 0 | 114.1 | | |
| 520 | T | 30.1 | Very low | 29.7 | Very low | 106 Ų | 106 | 140 Ų | 140 | 65% | 0.65 | 78% | 0.781 | S | S | * | * | | | trans | 30.5 | 114.5 | 130.2 | -37.8 | 0 | 0 | 0 | 0 | 121 | V522 | T520-V522 HydrophobicContact CG2-CG2 3.84Š|
| 521 | T | 28.2 | Very low | 29.5 | Very low | 130 Ų | 130 | 137.7 Ų | 137.7 | 80% | 0.798 | 78% | 0.779 | S | S | * | * | | | | -172.3 | 127.8 | 128.1 | 32.3 | 0 | 0 | 0 | 0 | 107.5 | | |
| 522 | V | 28.5 | Very low | 29.7 | Very low | 100 Ų | 100 | 132.6 Ų | 132.6 | 61% | 0.606 | 78% | 0.779 | S | S | * | * | | | cis | 86.4 | 85.6 | 11.4 | -164.3 | 0 | 0 | 0 | 0 | 117.4 | T520 | T520-V522 HydrophobicContact CG2-CG2 3.84Š|
| 523 | R | 31.2 | Very low | 29.7 | Very low | 209 Ų | 209 | 132.7 Ų | 132.7 | 79% | 0.789 | 78% | 0.778 | S | S | * | * | | | | -172.6 | 140.6 | 120.9 | -90 | 158.2 | -164.6 | 91.5 | -10.5 | 107.5 | | |
| 524 | T | 27.6 | Very low | 29.7 | Very low | 115 Ų | 115 | 134 Ų | 134 | 71% | 0.706 | 78% | 0.775 | S | S | * | * | | | cis | 66.6 | 137.7 | 49.1 | -19.3 | 0 | 0 | 0 | 0 | 111 | | |
| 525 | I | 29.1 | Very low | 29.7 | Very low | 140 Ų | 140 | 133.6 Ų | 133.6 | 72% | 0.718 | 77% | 0.768 | S | S | * | * | | | cis | -158.6 | -179.8 | 30.2 | -23 | 167.5 | 0 | 0 | 0 | 111.5 | | |
| 526 | Q | 25.8 | Very low | 28.8 | Very low | 167 Ų | 167 | 134.8 Ų | 134.8 | 78% | 0.78 | 77% | 0.773 | S | S | * | * | | | trans | 76.8 | 149.4 | 155.5 | -71.4 | -175.1 | 42.8 | 0 | 0 | 119 | | |
| 527 | S | 27.2 | Very low | 28.7 | Very low | 100 Ų | 100 | 138.6 Ų | 138.6 | 70% | 0.699 | 77% | 0.772 | S | S | * | * | | | cis | -156.9 | 176.1 | -6.7 | -113.6 | 0 | 0 | 0 | 0 | 113.3 | | |
| 528 | S | 28.3 | Very low | 28.8 | Very low | 101 Ų | 101 | 136.7 Ų | 136.7 | 71% | 0.706 | 77% | 0.771 | S | S | * | * | | | trans | -74 | 162.8 | 179 | 55.6 | 0 | 0 | 0 | 0 | 115.6 | | |
| 529 | T | 29.2 | Very low | 29 | Very low | 146 Ų | 146 | 138.9 Ų | 138.9 | 90% | 0.896 | 77% | 0.768 | S | S | * | * | | | | -170.2 | 157.7 | 120.9 | 18.2 | 0 | 0 | 0 | 0 | 114.3 | | |
| 530 | V | 30.1 | Very low | 29.6 | Very low | 134 Ų | 134 | 138.7 Ų | 138.7 | 81% | 0.812 | 77% | 0.766 | S | S | * | * | | | trans | -77 | 147.3 | 179.7 | -173.2 | 0 | 0 | 0 | 0 | 111.4 | | |
| 531 | S | 25.9 | Very low | 30.4 | Very low | 111 Ų | 111 | 139 Ų | 139 | 78% | 0.776 | 77% | 0.77 | S | S | * | * | | | trans | 170.5 | 144.9 | 133.1 | -80 | 0 | 0 | 0 | 0 | 114.8 | | |
| 532 | S | 31.2 | Very low | 31.2 | Very low | 126 Ų | 126 | 138 Ų | 138 | 88% | 0.881 | 77% | 0.766 | S | S | * | * | | | trans | -92.5 | 119.3 | 169.9 | -54.8 | 0 | 0 | 0 | 0 | 111.1 | | |
| 533 | C | 26.6 | Very low | 31.7 | Very low | 108 Ų | 108 | 139.2 Ų | 139.2 | 73% | 0.73 | 78% | 0.776 | S | S | * | * | | | trans | -166.5 | 144 | 153.6 | 57 | 0 | 0 | 0 | 0 | 115 | | |
| 534 | I | 28.6 | Very low | 32.2 | Very low | 148 Ų | 148 | 135.5 Ų | 135.5 | 76% | 0.759 | 78% | 0.776 | S | S | * | * | | | trans | 62 | 112.5 | 137.8 | -66.8 | 171 | 0 | 0 | 0 | 119.7 | | |
| 535 | T | 29.1 | Very low | 32.9 | Very low | 102 Ų | 102 | 134.9 Ų | 134.9 | 63% | 0.626 | 77% | 0.774 | S | S | * | * | | | trans | 46.5 | 110.6 | 134.4 | -48.5 | 0 | 0 | 0 | 0 | 119.5 | Y537 | T535-Y537 HydrophobicContact CG2-CD2 3.85Å; T535-Y537 HydrophobicContact CG2-CE2 4.36Å; T535-Y537 PolarHBondContact O-N 3.06Å |
| 536 | T | 28.4 | Very low | 33.3 | Very low | 144 Ų | 144 | 134 Ų | 134 | 88% | 0.883 | 78% | 0.777 | S | S | * | * | | | trans | -65.4 | 76.7 | 156.9 | 38.4 | 0 | 0 | 0 | 0 | 111.9 | K538 | T536-K538 PolarHBondContact O-N 3.38Š|
| 537 | Y | 31 | Very low | 33.9 | Very low | 207 Ų | 207 | 137.2 Ų | 137.2 | 81% | 0.812 | 78% | 0.782 | S | S | * | * | | | trans | -59 | 111.4 | 161.9 | -110.3 | -84.2 | 0 | 0 | 0 | 107.9 | T535 K539 | T535-Y537 HydrophobicContact CG2-CD2 3.85Å; T535-Y537 HydrophobicContact CG2-CE2 4.36Å; T535-Y537 PolarHBondContact O-N 3.06Å; Y537-K539 PolarHBondContact O-N 3.1Å |
| 538 | K | 31 | Very low | 34.1 | Very low | 205 Ų | 205 | 138.6 Ų | 138.6 | 89% | 0.891 | 79% | 0.787 | S | S | * | * | | | trans | -75.1 | 73.3 | -176.3 | -155 | -175.5 | -172.4 | -173.4 | 0 | 110.5 | T536 T540 | T536-K538 PolarHBondContact O-N 3.38Å; K538-T540 PolarHBondContact O-N 3.27Å; K538-T540 VanDerWaalsContact O-N 3.13Å |
| 539 | K | 32.3 | Very low | 34.5 | Very low | 195 Ų | 195 | 139.7 Ų | 139.7 | 85% | 0.848 | 79% | 0.789 | S | S | * | * | | | trans | -65.3 | 109.2 | 173.9 | -171.4 | 173.1 | -175.5 | 176.3 | 0 | 108.4 | Y537 | Y537-K539 PolarHBondContact O-N 3.1Š|
| 540 | T | 43.2 | Very low | 34.8 | Very low | 118 Ų | 118 | 139.4 Ų | 139.4 | 72% | 0.724 | 79% | 0.788 | S | S | * | * | P | Polyproline II helix | trans | -58 | 139.3 | 174.6 | 31.3 | 0 | 0 | 0 | 0 | 110.4 | K538 | K538-T540 PolarHBondContact O-N 3.27Å; K538-T540 VanDerWaalsContact O-N 3.13Å |
| 541 | P | 46.6 | Very low | 35.6 | Very low | 113 Ų | 113 | 141.6 Ų | 141.6 | 73% | 0.734 | 79% | 0.786 | S | S | * | * | P | Polyproline II helix | trans | -66.1 | 145 | 174.7 | 28.8 | -34.1 | 0 | 0 | 0 | 109.9 | | |
| 542 | P | 43.9 | Very low | 36.4 | Very low | 108 Ų | 108 | 142.4 Ų | 142.4 | 70% | 0.701 | 79% | 0.789 | S | S | * | * | P | Polyproline II helix | trans | -66.5 | 146.5 | 174.2 | 29.3 | -34.5 | 0 | 0 | 0 | 110.5 | V544 | P542-V544 PolarHBondContact O-N 2.88Š|
| 543 | P | 40.4 | Very low | 36.5 | Very low | 127 Ų | 127 | 145.8 Ų | 145.8 | 83% | 0.825 | 79% | 0.788 | S | S | * | * | P | Polyproline II helix | trans | -63.9 | 126.1 | 176.4 | 26.9 | -33.8 | 0 | 0 | 0 | 110.3 | | |
| 544 | V | 39.9 | Very low | 36.8 | Very low | 131 Ų | 131 | 149 Ų | 149 | 79% | 0.794 | 80% | 0.796 | S | S | * | * | P | Polyproline II helix | trans | -78.9 | 127.1 | 178.4 | -179.9 | 0 | 0 | 0 | 0 | 109 | P542 | P542-V544 PolarHBondContact O-N 2.88Š|
| 545 | P | 42.6 | Very low | 36.9 | Very low | 102 Ų | 102 | 146.2 Ų | 146.2 | 66% | 0.662 | 79% | 0.79 | S | S | * | * | P | Polyproline II helix | trans | -67.7 | 143.4 | 178.1 | 27.8 | -34.6 | 0 | 0 | 0 | 111.2 | R547 | P545-R547 PolarHBondContact O-N 2.66Š|
| 546 | P | 39.1 | Very low | 37.1 | Very low | 121 Ų | 121 | 149.8 Ų | 149.8 | 79% | 0.786 | 80% | 0.803 | S | S | * | * | P | Polyproline II helix | trans | -66.2 | 124.7 | -177.4 | 26.4 | -34 | 0 | 0 | 0 | 111.4 | T548 | P546-T548 PolarHBondContact O-N 3.13Å; P546-T548 VanDerWaalsContact O-N 3.16Å |
| 547 | R | 37.4 | Very low | 37.3 | Very low | 235 Ų | 235 | 149.1 Ų | 149.1 | 89% | 0.887 | 80% | 0.799 | S | S | * | * | | | trans | -72.6 | 103.5 | 172.1 | -85 | -176.2 | 160.5 | 121.7 | -5.7 | 110.4 | P545 T549 | P545-R547 PolarHBondContact O-N 2.66Å; R547-T549 PolarHBondContact O-N 2.66Å |
| 548 | T | 31.4 | Very low | 37.6 | Very low | 128 Ų | 128 | 143.4 Ų | 143.4 | 79% | 0.785 | 80% | 0.795 | S | S | * | * | | | trans | -65 | 121.5 | 166.2 | 49 | 0 | 0 | 0 | 0 | 110.2 | P546 | P546-T548 PolarHBondContact O-N 3.13Å; P546-T548 VanDerWaalsContact O-N 3.16Å |
| 549 | T | 37.7 | Very low | 37.7 | Very low | 124 Ų | 124 | 142.6 Ų | 142.6 | 76% | 0.761 | 79% | 0.794 | S | S | * | * | | | trans | -95 | 110.4 | 174.8 | 56 | 0 | 0 | 0 | 0 | 110.1 | R547 K551 | R547-T549 PolarHBondContact O-N 2.66Å; T549-K551 PolarHBondContact O-N 2.77Å |
| 550 | T | 34.4 | Very low | 37.6 | Very low | 141 Ų | 141 | 138 Ų | 138 | 87% | 0.865 | 79% | 0.787 | S | S | * | * | | | trans | -78.1 | 105.4 | -176.1 | -42.7 | 0 | 0 | 0 | 0 | 110.9 | | |
| 551 | K | 46.5 | Very low | 37.3 | Very low | 180 Ų | 180 | 137.9 Ų | 137.9 | 78% | 0.783 | 79% | 0.79 | S | S | * | * | | | trans | -107.8 | 142.2 | 161.6 | -70.2 | -176.7 | 178 | 179.9 | 0 | 109.2 | T549 | T549-K551 PolarHBondContact O-N 2.77Š|
| 552 | P | 43.8 | Very low | 37.3 | Very low | 128 Ų | 128 | 138 Ų | 138 | 83% | 0.831 | 79% | 0.79 | S | S | * | * | | | trans | -71.2 | 158.1 | 179.6 | 29.4 | -34.6 | 0 | 0 | 0 | 112.9 | | |
| 553 | F | 33.3 | Very low | 37.2 | Very low | 196 Ų | 196 | 141.4 Ų | 141.4 | 86% | 0.86 | 80% | 0.796 | S | S | * | * | | | trans | -66.9 | 141.9 | -169.8 | -61.9 | -101 | 0 | 0 | 0 | 115.5 | | |
| 554 | I | 32.4 | Very low | 37.1 | Very low | 176 Ų | 176 | 140.6 Ų | 140.6 | 90% | 0.903 | 79% | 0.793 | S | S | * | * | | | | -134.7 | 144.9 | 120.7 | -58.8 | -172.4 | 0 | 0 | 0 | 106.8 | | |
| 555 | S | 30.3 | Very low | 36.9 | Very low | 89 Ų | 89 | 138.2 Ų | 138.2 | 62% | 0.622 | 79% | 0.787 | S | S | * | * | | | trans | -123.2 | 139.2 | -167.5 | 56.2 | 0 | 0 | 0 | 0 | 114.2 | | |
| 556 | I | 33.2 | Very low | 36.3 | Very low | 177 Ų | 177 | 141.6 Ų | 141.6 | 91% | 0.908 | 79% | 0.794 | S | S | * | * | | | trans | -135.4 | 142.4 | 157.7 | -61.7 | -176.9 | 0 | 0 | 0 | 108.2 | | |
| 557 | T | 33.6 | Very low | 35.9 | Very low | 130 Ų | 130 | 142.4 Ų | 142.4 | 80% | 0.798 | 79% | 0.792 | S | S | * | * | | | trans | -119.4 | 130.3 | -168.1 | 47.5 | 0 | 0 | 0 | 0 | 114.5 | | |
| 558 | A | 36.6 | Very low | 35.6 | Very low | 87 Ų | 87 | 135.3 Ų | 135.3 | 72% | 0.719 | 78% | 0.783 | S | S | * | * | | | trans | -152.7 | 123.1 | 149.4 | 0 | 0 | 0 | 0 | 0 | 106 | | |
| 559 | Q | 32.6 | Very low | 35.3 | Very low | 188 Ų | 188 | 139.2 Ų | 139.2 | 88% | 0.879 | 79% | 0.785 | S | S | * | * | | | | 61 | 124.5 | 71.5 | -66.7 | -172.5 | -43.1 | 0 | 0 | 113.1 | | |
| 560 | S | 30.1 | Very low | 34.9 | Very low | 99 Ų | 99 | 139.4 Ų | 139.4 | 69% | 0.692 | 78% | 0.779 | S | S | * | * | | | cis | -171.6 | 146.4 | -2.7 | 50.7 | 0 | 0 | 0 | 0 | 112.9 | | |
| 561 | S | 37.7 | Very low | 34.7 | Very low | 115 Ų | 115 | 139.4 Ų | 139.4 | 80% | 0.804 | 77% | 0.774 | S | S | * | * | | | trans | 57.1 | 152.3 | 152 | -49.6 | 0 | 0 | 0 | 0 | 118.7 | | |
| 562 | T | 46.8 | Very low | 33.7 | Very low | 117 Ų | 117 | 134.3 Ų | 134.3 | 72% | 0.718 | 77% | 0.772 | S | S | * | * | | | cis | -142.1 | 144.1 | 30.6 | 38.5 | 0 | 0 | 0 | 0 | 111.1 | | |
| 563 | E | 41.6 | Very low | 33.2 | Very low | 179 Ų | 179 | 137.7 Ų | 137.7 | 84% | 0.836 | 78% | 0.777 | S | S | * | * | | | | 71.3 | 133.8 | 91.7 | -141.7 | 179.5 | 112.1 | 0 | 0 | 113.6 | | |
| 564 | S | 37.8 | Very low | 32.9 | Very low | 110 Ų | 110 | 131.3 Ų | 131.3 | 77% | 0.769 | 77% | 0.766 | S | S | * | * | | | cis | -146.9 | 178.5 | 22.8 | -159.2 | 0 | 0 | 0 | 0 | 114.7 | | |
| 565 | A | 36 | Very low | 33 | Very low | 80 Ų | 80 | 129.9 Ų | 129.9 | 66% | 0.661 | 76% | 0.756 | S | S | * | * | | | trans | -74.7 | 162.3 | 176.1 | 0 | 0 | 0 | 0 | 0 | 112.9 | | |
| 566 | Q | 30.5 | Very low | 33 | Very low | 174 Ų | 174 | 136.4 Ų | 136.4 | 81% | 0.813 | 77% | 0.767 | S | S | * | * | | | cis | 85.7 | 126.9 | 34 | -117.4 | -178 | -8.4 | 0 | 0 | 116.4 | | |
| 567 | D | 30.6 | Very low | 32.8 | Very low | 137 Ų | 137 | 131.1 Ų | 131.1 | 73% | 0.733 | 76% | 0.755 | S | S | * | * | | | trans | 63.3 | 110.7 | 154.4 | -66.6 | 1.8 | 0 | 0 | 0 | 125.1 | | |
| 568 | A | 31.4 | Very low | 32.6 | Very low | 86 Ų | 86 | 132.8 Ų | 132.8 | 71% | 0.711 | 76% | 0.759 | S | S | * | * | | | | 84 | 178.5 | 118.5 | 0 | 0 | 0 | 0 | 0 | 122.1 | | |
| 569 | Y | 25 | Very low | 32.5 | Very low | 210 Ų | 210 | 135.7 Ų | 135.7 | 82% | 0.824 | 76% | 0.762 | S | S | * | * | | | trans | 75.1 | 141.1 | 178.2 | -82.4 | -117.1 | 0 | 0 | 0 | 117.7 | | |
| 570 | M | 29.4 | Very low | 32.4 | Very low | 129 Ų | 129 | 134 Ų | 134 | 64% | 0.635 | 76% | 0.757 | S | S | * | * | | | cis | -164 | 179.2 | -21.1 | -121.6 | -43.5 | -178.8 | 0 | 0 | 111.4 | | |
| 571 | D | 29.4 | Very low | 32.4 | Very low | 141 Ų | 141 | 134 Ų | 134 | 75% | 0.754 | 76% | 0.757 | S | S | * | * | | | trans | 11.9 | 132.8 | 153.8 | -78.7 | -51.6 | 0 | 0 | 0 | 122.2 | | |
| 572 | G | 26.4 | Very low | 31.9 | Very low | 73 Ų | 73 | 137.5 Ų | 137.5 | 75% | 0.753 | 76% | 0.761 | S | S | * | * | | | | 91.7 | 132.5 | 100.4 | 0 | 0 | 0 | 0 | 0 | 120.1 | | |
| 573 | H | 33.1 | Very low | 31 | Very low | 198 Ų | 198 | 137.8 Ų | 137.8 | 92% | 0.917 | 77% | 0.768 | S | S | * | * | | | trans | -63.7 | 156.5 | 162.6 | -104.8 | -31.8 | 0 | 0 | 0 | 111.9 | | |
| 574 | G | 27.5 | Very low | 30.4 | Very low | 62 Ų | 62 | 131.9 Ų | 131.9 | 64% | 0.639 | 76% | 0.755 | S | S | * | * | | | cis | 150.9 | -164.1 | 2.1 | 0 | 0 | 0 | 0 | 0 | 112.4 | | |
| 575 | Q | 32.5 | Very low | 30.1 | Very low | 147 Ų | 147 | 134.9 Ų | 134.9 | 69% | 0.687 | 76% | 0.761 | S | S | * | * | | | trans | -155 | 124.5 | 165.8 | -89.8 | -130.6 | 2 | 0 | 0 | 112.2 | | |
| 576 | R | 32.1 | Very low | 29.7 | Very low | 226 Ų | 226 | 135.7 Ų | 135.7 | 85% | 0.853 | 76% | 0.762 | S | S | * | * | | | trans | 64.8 | 150.1 | 163.8 | -49.2 | 173.7 | -156.4 | -119.9 | -0.4 | 115.7 | | |
| 577 | G | 28.8 | Very low | 29.6 | Very low | 65 Ų | 65 | 135.2 Ų | 135.2 | 67% | 0.67 | 77% | 0.765 | S | S | * | * | | | cis | 178.4 | 146.8 | -9 | 0 | 0 | 0 | 0 | 0 | 112.4 | | |
| 578 | D | 28.5 | Very low | 29.6 | Very low | 165 Ų | 165 | 134.5 Ų | 134.5 | 88% | 0.882 | 77% | 0.771 | S | S | * | * | | | trans | 65.1 | 162.5 | 167.5 | -56.3 | -37.6 | 0 | 0 | 0 | 121.2 | | |
| 579 | I | 35 | Very low | 30 | Very low | 149 Ų | 149 | 137.5 Ų | 137.5 | 76% | 0.764 | 78% | 0.78 | S | S | * | * | | | trans | 86.9 | 94.1 | 158.4 | -47.1 | -170.1 | 0 | 0 | 0 | 120.4 | | |
| 580 | I | 30.6 | Very low | 30.5 | Very low | 151 Ų | 151 | 135.3 Ų | 135.3 | 77% | 0.774 | 78% | 0.778 | S | S | * | * | | | trans | 73.3 | 113.2 | 133.3 | -62.5 | 178.1 | 0 | 0 | 0 | 122.7 | | |
| 581 | S | 29.4 | Very low | 30.8 | Very low | 100 Ų | 100 | 134.8 Ų | 134.8 | 70% | 0.699 | 79% | 0.786 | S | S | * | * | | | trans | 60.6 | 127.3 | 135.3 | -63.4 | 0 | 0 | 0 | 0 | 126.7 | | |
| 582 | Q | 27.7 | Very low | 31.4 | Very low | 188 Ų | 188 | 134.7 Ų | 134.7 | 88% | 0.879 | 79% | 0.785 | S | S | * | * | | | trans | 78.8 | 143.2 | 136.3 | -73.7 | -168.9 | 11.6 | 0 | 0 | 122.7 | | |
| 583 | S | 28 | Very low | 32.4 | Very low | 124 Ų | 124 | 135 Ų | 135 | 87% | 0.867 | 77% | 0.77 | S | S | * | * | | | trans | 63.9 | 136.3 | 175.1 | -141.4 | 0 | 0 | 0 | 0 | 117.1 | | |
| 584 | G | 27.9 | Very low | 32.8 | Very low | 55 Ų | 55 | 130.1 Ų | 130.1 | 57% | 0.567 | 76% | 0.758 | S | S | * | * | | | cis | 128 | 108.9 | -11.2 | 0 | 0 | 0 | 0 | 0 | 113.7 | | |
| 585 | L | 32.9 | Very low | 33.9 | Very low | 172 Ų | 172 | 134.1 Ų | 134.1 | 90% | 0.901 | 76% | 0.762 | S | S | * | * | | | trans | 66.4 | 153.2 | 171 | -46.7 | 175.7 | 0 | 0 | 0 | 115.8 | | |
| 586 | S | 27.3 | Very low | 34.8 | Very low | 97 Ų | 97 | 133.9 Ų | 133.9 | 68% | 0.678 | 76% | 0.758 | S | S | * | * | | | cis | -168.2 | 117 | -29.7 | -96.8 | 0 | 0 | 0 | 0 | 107.9 | | |
| 587 | N | 28.7 | Very low | 36.2 | Very low | 165 Ų | 165 | 126.3 Ų | 126.3 | 88% | 0.882 | 74% | 0.744 | S | S | * | * | | | trans | -112.8 | 95.7 | 177.7 | -72.1 | 10.2 | 0 | 0 | 0 | 110.6 | | |
| 588 | S | 30.7 | Very low | 37.6 | Very low | 121 Ų | 121 | 128.4 Ų | 128.4 | 85% | 0.846 | 74% | 0.74 | S | S | * | * | | | trans | -153 | 128.8 | 165.7 | -77.6 | 0 | 0 | 0 | 0 | 110.5 | E590 | S588-E590 PolarHBondContact O-N 3Š|
| 589 | T | 38.3 | Very low | 39.2 | Very low | 149 Ų | 149 | 124.5 Ų | 124.5 | 91% | 0.914 | 72% | 0.722 | S | S | * | * | | | trans | -52.1 | 114.4 | -177.7 | 48.3 | 0 | 0 | 0 | 0 | 113.6 | | |
| 590 | E | 36.2 | Very low | 40.6 | Very low | 165 Ų | 165 | 120 Ų | 120 | 77% | 0.771 | 71% | 0.706 | S | S | * | * | | | trans | -94.5 | 134.4 | 160.1 | -175.1 | 170.4 | 106.4 | 0 | 0 | 109.5 | S588 | S588-E590 PolarHBondContact O-N 3Š|
| 591 | S | 36 | Very low | 42.3 | Very low | 117 Ų | 117 | 115.6 Ų | 115.6 | 82% | 0.818 | 69% | 0.693 | S | S | * | * | | | trans | -93 | 114.7 | 171.9 | -170.6 | 0 | 0 | 0 | 0 | 108.7 | D593 | S591-D593 PolarHBondContact O-N 2.95Å; S591-D593 VanDerWaalsContact O-N 3.09Å |
| 592 | L | 40.9 | Very low | 44.1 | Very low | 139 Ų | 139 | 115.1 Ų | 115.1 | 73% | 0.728 | 68% | 0.682 | S | S | * | * | | | trans | -73 | 105 | -177.8 | -71.3 | 177.8 | 0 | 0 | 0 | 111 | S594 | L592-S594 PolarHBondContact O-N 2.96Š|
| 593 | D | 48.1 | Very low | 45.8 | Very low | 80 Ų | 80 | 112.7 Ų | 112.7 | 43% | 0.428 | 67% | 0.67 | S | S | . | * | | | trans | -72.6 | 87.7 | 171.6 | -175.2 | -7.4 | 0 | 0 | 0 | 110 | S591 M595 K596 A597 | S591-D593 PolarHBondContact O-N 2.95Å; S591-D593 VanDerWaalsContact O-N 3.09Å; D593-M595 PolarHBondContact O-N 2.64Å; D593-M595 PolarHBondContact OD1-N 3.49Å; D593-K596 HydrophobicContact CB-CG 4.49Å; D593-K596 PolarHBondContact O-N 3.41Å; D593-K596 IonicContact OD2-NZ 2.62Å; D593-K596 PolarHBondContact OD2-NZ 2.81Å; D593-A597 PolarHBondContact O-N 3.17Å |
| 594 | S | 41.4 | Very low | 47.3 | Very low | 96 Ų | 96 | 109.5 Ų | 109.5 | 67% | 0.671 | 65% | 0.651 | S | S | * | * | H | α-helix | trans | -50.5 | -26.8 | -175.3 | -53.9 | 0 | 0 | 0 | 0 | 114.2 | L592 L598 | L592-S594 PolarHBondContact O-N 2.96Å; S594-L598 WeakPolarHBondContact O-CB 3.04Å; S594-L598 PolarHBondContact O-N 3.02Å |
| 595 | M | 49.6 | Very low | 48.5 | Very low | 145 Ų | 145 | 109.4 Ų | 109.4 | 71% | 0.714 | 65% | 0.646 | S | S | * | * | H | α-helix | trans | -70 | -41.4 | -180 | -155 | 173.2 | -63.2 | 0 | 0 | 111.5 | D593 L598 T599 | D593-M595 PolarHBondContact O-N 2.64Å; D593-M595 PolarHBondContact OD1-N 3.49Å; M595-L598 PolarHBondContact O-N 2.87Å; M595-T599 PolarHBondContact O-N 3.26Å; M595-T599 PolarHBondContact O-OG1 2.83Å; M595-T599 VanDerWaalsContact O-OG1 3.13Å |
| 596 | K | 52.8 | Low | 49.1 | Very low | 142 Ų | 142 | 106.3 Ų | 106.3 | 62% | 0.617 | 63% | 0.63 | S | S | * | * | H | α-helix | trans | -69.8 | -37.4 | 178 | -66.8 | -170.9 | 178 | 94.5 | 0 | 112.5 | D593 L598 T599 A600 | D593-K596 HydrophobicContact CB-CG 4.49Å; D593-K596 PolarHBondContact O-N 3.41Å; D593-K596 IonicContact OD2-NZ 2.62Å; D593-K596 PolarHBondContact OD2-NZ 2.81Å; K596-L598 VanDerWaalsContact C-N 3.33Å; K596-T599 PolarHBondContact O-N 3.06Å; K596-A600 WeakPolarHBondContact O-CB 3.43Å; K596-A600 PolarHBondContact O-N 3.32Å |
| 597 | A | 61 | Low | 50.1 | Low | 67 Ų | 67 | 105.4 Ų | 105.4 | 55% | 0.554 | 63% | 0.628 | S | S | * | * | H | α-helix | trans | -62.9 | -40.4 | 174.6 | 0 | 0 | 0 | 0 | 0 | 111.7 | D593 A601 | D593-A597 PolarHBondContact O-N 3.17Å; A597-A601 WeakPolarHBondContact O-CB 3.3Å; A597-A601 PolarHBondContact O-N 3.08Å |
| 598 | L | 58.2 | Low | 51.1 | Low | 110 Ų | 110 | 105.6 Ų | 105.6 | 58% | 0.576 | 62% | 0.624 | S | S | * | * | H | α-helix | trans | -66.5 | -45.9 | 175.6 | -177.8 | 59.6 | 0 | 0 | 0 | 112.1 | S594 M595 K596 A600 A601 I602 | S594-L598 WeakPolarHBondContact O-CB 3.04Å; S594-L598 PolarHBondContact O-N 3.02Å; M595-L598 PolarHBondContact O-N 2.87Å; K596-L598 VanDerWaalsContact C-N 3.33Å; L598-A600 PolarHBondContact O-N 3.23Å; L598-A601 PolarHBondContact O-N 2.77Å; L598-I602 HydrophobicContact CD1-CD1 3.99Å; L598-I602 HydrophobicContact CD1-CG1 4.41Å; L598-I602 HydrophobicContact CG-CD1 3.97Å; L598-I602 WeakPolarHBondContact O-CG1 3.4Å; L598-I602 PolarHBondContact O-N 3.43Å |
| 599 | T | 63.2 | Low | 51.9 | Low | 82 Ų | 82 | 105.7 Ų | 105.7 | 50% | 0.503 | 61% | 0.614 | S | S | . | * | H | α-helix | trans | -59.1 | -47.8 | 175.8 | -58.9 | 0 | 0 | 0 | 0 | 111.6 | M595 K596 A601 I602 E603 | M595-T599 PolarHBondContact O-N 3.26Å; M595-T599 PolarHBondContact O-OG1 2.83Å; M595-T599 VanDerWaalsContact O-OG1 3.13Å; K596-T599 PolarHBondContact O-N 3.06Å; T599-A601 VanDerWaalsContact C-N 3.32Å; T599-A601 PolarHBondContact O-N 3.43Å; T599-I602 PolarHBondContact O-N 2.91Å; T599-E603 WeakPolarHBondContact O-CB 3.46Å; T599-E603 PolarHBondContact O-N 3.23Å |
| 600 | A | 63.2 | Low | 52.3 | Low | 54 Ų | 54 | 107 Ų | 107 | 45% | 0.446 | 61% | 0.609 | S | S | . | * | H | α-helix | trans | -63.9 | -34.7 | 179.2 | 0 | 0 | 0 | 0 | 0 | 112.9 | K596 L598 A604 | K596-A600 WeakPolarHBondContact O-CB 3.43Å; K596-A600 PolarHBondContact O-N 3.32Å; L598-A600 PolarHBondContact O-N 3.23Å; A600-A604 VanDerWaalsContact O-CB 3.24Å; A600-A604 WeakPolarHBondContact O-CB 3.29Å; A600-A604 PolarHBondContact O-N 2.93Å |
| 601 | A | 66.9 | Low | 52.1 | Low | 60 Ų | 60 | 102.4 Ų | 102.4 | 50% | 0.496 | 61% | 0.605 | S | S | . | * | H | α-helix | trans | -67.8 | -39.6 | 174.5 | 0 | 0 | 0 | 0 | 0 | 112.5 | A597 L598 T599 A605 | A597-A601 WeakPolarHBondContact O-CB 3.3Å; A597-A601 PolarHBondContact O-N 3.08Å; L598-A601 PolarHBondContact O-N 2.77Å; T599-A601 VanDerWaalsContact C-N 3.32Å; T599-A601 PolarHBondContact O-N 3.43Å; A601-A605 WeakPolarHBondContact O-CB 3.3Å; A601-A605 PolarHBondContact O-N 3.29Å |
| 602 | I | 67.2 | Low | 52 | Low | 90 Ų | 90 | 103.1 Ų | 103.1 | 46% | 0.462 | 61% | 0.608 | S | S | . | * | H | α-helix | trans | -68.7 | -41.3 | 176 | -67.7 | 166.1 | 0 | 0 | 0 | 110.8 | L598 T599 A605 N606 | L598-I602 HydrophobicContact CD1-CD1 3.99Å; L598-I602 HydrophobicContact CD1-CG1 4.41Å; L598-I602 HydrophobicContact CG-CD1 3.97Å; L598-I602 WeakPolarHBondContact O-CG1 3.4Å; L598-I602 PolarHBondContact O-N 3.43Å; T599-I602 PolarHBondContact O-N 2.91Å; I602-A605 PolarHBondContact O-N 2.95Å; I602-N606 PolarHBondContact O-N 3.48Å; I602-N606 PolarHBondContact O-ND2 3.08Å |
| 603 | E | 62.7 | Low | 51.9 | Low | 136 Ų | 136 | 101.6 Ų | 101.6 | 64% | 0.636 | 62% | 0.615 | S | S | * | * | H | α-helix | trans | -63.9 | -44.2 | 176.3 | -169.4 | 170.5 | -167.6 | 0 | 0 | 111.6 | T599 A605 N606 A607 | T599-E603 WeakPolarHBondContact O-CB 3.46Å; T599-E603 PolarHBondContact O-N 3.23Å; E603-A605 VanDerWaalsContact C-N 3.33Å; E603-A605 PolarHBondContact O-N 3.03Å; E603-N606 PolarHBondContact O-N 3.32Å; E603-A607 WeakPolarHBondContact O-CB 3.23Å; E603-A607 PolarHBondContact O-N 2.99Å |
| 604 | A | 59.4 | Low | 51.3 | Low | 57 Ų | 57 | 103.6 Ų | 103.6 | 47% | 0.471 | 64% | 0.635 | S | S | . | * | H | α-helix | trans | -65.6 | -30.6 | 174.7 | 0 | 0 | 0 | 0 | 0 | 113.7 | A600 | A600-A604 VanDerWaalsContact O-CB 3.24Å; A600-A604 WeakPolarHBondContact O-CB 3.29Å; A600-A604 PolarHBondContact O-N 2.93Å |
| 605 | A | 54.2 | Low | 50.8 | Low | 54 Ų | 54 | 107.7 Ų | 107.7 | 45% | 0.446 | 64% | 0.644 | S | S | . | * | H | α-helix | trans | -72.3 | -44.8 | 173.5 | 0 | 0 | 0 | 0 | 0 | 111.8 | A601 I602 E603 A607 Q608 | A601-A605 WeakPolarHBondContact O-CB 3.3Å; A601-A605 PolarHBondContact O-N 3.29Å; I602-A605 PolarHBondContact O-N 2.95Å; E603-A605 VanDerWaalsContact C-N 3.33Å; E603-A605 PolarHBondContact O-N 3.03Å; A605-A607 VanDerWaalsContact C-N 3.28Å; A605-A607 PolarHBondContact O-N 3.4Å; A605-Q608 PolarHBondContact O-N 3.16Å; A605-Q608 VanDerWaalsContact O-N 3.16Å |
| 606 | N | 45.8 | Very low | 49.8 | Very low | 106 Ų | 106 | 109.3 Ų | 109.3 | 57% | 0.567 | 65% | 0.649 | S | S | * | * | H | α-helix | trans | -63 | -34.6 | 176.9 | -73.9 | -29.5 | 0 | 0 | 0 | 112.2 | I602 E603 Q608 I609 | I602-N606 PolarHBondContact O-N 3.48Å; I602-N606 PolarHBondContact O-ND2 3.08Å; E603-N606 PolarHBondContact O-N 3.32Å; N606-Q608 PolarHBondContact O-N 3.24Å; N606-Q608 VanDerWaalsContact O-N 3.11Å; N606-I609 PolarHBondContact O-N 2.97Å |
| 607 | A | 48.1 | Very low | 48.7 | Very low | 78 Ų | 78 | 108.4 Ų | 108.4 | 65% | 0.645 | 66% | 0.655 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -62.5 | -13.2 | 175.9 | 0 | 0 | 0 | 0 | 0 | 114.7 | E603 A605 | E603-A607 WeakPolarHBondContact O-CB 3.23Å; E603-A607 PolarHBondContact O-N 2.99Å; A605-A607 VanDerWaalsContact C-N 3.28Å; A605-A607 PolarHBondContact O-N 3.4Å |
| 608 | Q | 50.1 | Low | 47.1 | Very low | 169 Ų | 169 | 108.5 Ų | 108.5 | 79% | 0.79 | 66% | 0.662 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -92.4 | -5.6 | 178.4 | -63.9 | -172.1 | 19.4 | 0 | 0 | 114.4 | A605 N606 | A605-Q608 PolarHBondContact O-N 3.16Å; A605-Q608 VanDerWaalsContact O-N 3.16Å; N606-Q608 PolarHBondContact O-N 3.24Å; N606-Q608 VanDerWaalsContact O-N 3.11Å |
| 609 | I | 47 | Very low | 45.7 | Very low | 124 Ų | 124 | 110.3 Ų | 110.3 | 64% | 0.636 | 67% | 0.673 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -96.6 | -20.4 | -172.4 | -63.1 | -179.1 | 0 | 0 | 0 | 113.1 | N606 | N606-I609 PolarHBondContact O-N 2.97Š|
| 610 | H | 46.2 | Very low | 44.1 | Very low | 177 Ų | 177 | 113.4 Ų | 113.4 | 82% | 0.819 | 69% | 0.686 | S | S | * | * | | | trans | -135.7 | 97.2 | 175.3 | -79.3 | -67 | 0 | 0 | 0 | 113.7 | | |
| 611 | G | 31.3 | Very low | 42.5 | Very low | 67 Ų | 67 | 117.6 Ų | 117.6 | 69% | 0.691 | 71% | 0.706 | S | S | * | * | | | trans | -117.7 | 142.9 | 159 | 0 | 0 | 0 | 0 | 0 | 110.1 | | |
| 612 | P | 35.8 | Very low | 40.7 | Very low | 133 Ų | 133 | 118.5 Ų | 118.5 | 86% | 0.864 | 71% | 0.714 | S | S | * | * | | | trans | -79.6 | 148.4 | -167.5 | 31.2 | -36 | 0 | 0 | 0 | 113.7 | | |
| 613 | A | 38.7 | Very low | 38.8 | Very low | 106 Ų | 106 | 120.2 Ų | 120.2 | 88% | 0.876 | 73% | 0.729 | S | S | * | * | | | trans | -82.4 | 131.6 | 167.9 | 0 | 0 | 0 | 0 | 0 | 110.7 | | |
| 614 | S | 34 | Very low | 37.2 | Very low | 122 Ų | 122 | 119.3 Ų | 119.3 | 85% | 0.853 | 73% | 0.733 | S | S | * | * | | | trans | -145.3 | 156.7 | 164.3 | -164.7 | 0 | 0 | 0 | 0 | 111.7 | | |
| 615 | Q | 32.5 | Very low | 35.7 | Very low | 183 Ų | 183 | 122.8 Ų | 122.8 | 86% | 0.855 | 75% | 0.748 | S | S | * | * | | | trans | -82.8 | 157.3 | -167.4 | -55.3 | 157.1 | 4.6 | 0 | 0 | 111.3 | | |
| 616 | H | 27.6 | Very low | 34.5 | Very low | 178 Ų | 178 | 125.7 Ų | 125.7 | 82% | 0.824 | 76% | 0.76 | S | S | * | * | | | | 178 | 155.3 | 114.9 | -165 | -111.7 | 0 | 0 | 0 | 113.6 | | |
| 617 | V | 30.4 | Very low | 33.8 | Very low | 123 Ų | 123 | 126.7 Ų | 126.7 | 75% | 0.745 | 77% | 0.77 | S | S | * | * | | | trans | -45.4 | 151.7 | 175.8 | 177.1 | 0 | 0 | 0 | 0 | 116.6 | | |
| 618 | G | 27.7 | Very low | 33.1 | Very low | 69 Ų | 69 | 128.4 Ų | 128.4 | 71% | 0.711 | 77% | 0.773 | S | S | * | * | | | trans | 169.7 | 124.3 | 151.6 | 0 | 0 | 0 | 0 | 0 | 116.8 | | |
| 619 | N | 27.8 | Very low | 32.1 | Very low | 148 Ų | 148 | 125.7 Ų | 125.7 | 79% | 0.791 | 77% | 0.768 | S | S | * | * | | | trans | -105.8 | 143.5 | 177 | -73.7 | -26.4 | 0 | 0 | 0 | 113.3 | | |
| 620 | N | 30.3 | Very low | 31.4 | Very low | 148 Ų | 148 | 126.9 Ų | 126.9 | 79% | 0.791 | 77% | 0.774 | S | S | * | * | | | trans | 68.1 | 166.8 | 144.9 | -64.9 | -7.7 | 0 | 0 | 0 | 122.2 | | |
| 621 | T | 28.5 | Very low | 30.7 | Very low | 141 Ų | 141 | 122.4 Ų | 122.4 | 87% | 0.865 | 77% | 0.768 | S | S | * | * | | | trans | 91.4 | 126 | 159.7 | -40.7 | 0 | 0 | 0 | 0 | 114.8 | | |
| 622 | A | 30.4 | Very low | 30.6 | Very low | 80 Ų | 80 | 125.3 Ų | 125.3 | 66% | 0.661 | 77% | 0.772 | S | S | * | * | | | cis | -144.7 | -161.5 | -7.3 | 0 | 0 | 0 | 0 | 0 | 109 | | |
| 623 | T | 27.4 | Very low | 30.4 | Very low | 125 Ų | 125 | 126.6 Ų | 126.6 | 77% | 0.767 | 78% | 0.777 | S | S | * | * | | | cis | -167.1 | 134.7 | 31 | -28.1 | 0 | 0 | 0 | 0 | 112.8 | | |
| 624 | V | 28.3 | Very low | 29.9 | Very low | 118 Ų | 118 | 125.8 Ų | 125.8 | 72% | 0.715 | 77% | 0.77 | S | S | * | * | | | trans | 27 | 135.6 | 135 | -164.1 | 0 | 0 | 0 | 0 | 118.7 | | |
| 625 | T | 27 | Very low | 29.6 | Very low | 130 Ų | 130 | 126.4 Ų | 126.4 | 80% | 0.798 | 77% | 0.769 | S | S | * | * | | | | -167.7 | 166 | 79.4 | -47 | 0 | 0 | 0 | 0 | 114.5 | | |
| 626 | T | 30 | Very low | 29.4 | Very low | 114 Ų | 114 | 126.1 Ų | 126.1 | 70% | 0.699 | 77% | 0.767 | S | S | * | * | | | trans | -107.1 | 163.4 | -162.6 | 49.7 | 0 | 0 | 0 | 0 | 117.1 | | |
| 627 | T | 30.3 | Very low | 29.4 | Very low | 127 Ų | 127 | 122.8 Ų | 122.8 | 78% | 0.779 | 76% | 0.756 | S | S | * | * | | | trans | 178.1 | 114.3 | 142.9 | -74.6 | 0 | 0 | 0 | 0 | 107.4 | | |
| 628 | T | 32.8 | Very low | 29.4 | Very low | 114 Ų | 114 | 126.3 Ų | 126.3 | 70% | 0.699 | 76% | 0.756 | S | S | * | * | | | | 74.5 | 123.4 | 62.3 | -46.7 | 0 | 0 | 0 | 0 | 112 | | |
| 629 | T | 29.5 | Very low | 29.5 | Very low | 112 Ų | 112 | 131.8 Ų | 131.8 | 69% | 0.687 | 76% | 0.76 | S | S | * | * | | | | -176.1 | 127.1 | 83.7 | -54 | 0 | 0 | 0 | 0 | 113.6 | | |
| 630 | I | 33.5 | Very low | 29.7 | Very low | 150 Ų | 150 | 134.4 Ų | 134.4 | 77% | 0.769 | 76% | 0.764 | S | S | * | * | | | trans | 41.1 | 111.9 | 143.3 | -54.9 | 174.1 | 0 | 0 | 0 | 119.4 | | |
| 631 | A | 30.9 | Very low | 29.5 | Very low | 82 Ų | 82 | 134 Ų | 134 | 68% | 0.678 | 76% | 0.762 | S | S | * | * | | | | 75.4 | 150.6 | 80.5 | 0 | 0 | 0 | 0 | 0 | 115.6 | | |
| 632 | T | 29.2 | Very low | 29.5 | Very low | 129 Ų | 129 | 133.8 Ų | 133.8 | 79% | 0.791 | 75% | 0.751 | S | S | * | * | | | cis | -170.1 | 144.7 | -1.2 | 12.4 | 0 | 0 | 0 | 0 | 109.6 | | |
| 633 | V | 31 | Very low | 29.5 | Very low | 159 Ų | 159 | 137.1 Ų | 137.1 | 96% | 0.964 | 75% | 0.751 | S | S | * | * | | | trans | -167.3 | 162.9 | 141.6 | -100.9 | 0 | 0 | 0 | 0 | 113.8 | | |
| 634 | A | 28.2 | Very low | 29.8 | Very low | 89 Ų | 89 | 138.2 Ų | 138.2 | 74% | 0.736 | 75% | 0.745 | S | S | * | * | | | trans | -69.2 | 162.1 | -168.5 | 0 | 0 | 0 | 0 | 0 | 120.2 | | |
| 635 | V | 28.7 | Very low | 30.4 | Very low | 135 Ų | 135 | 141.3 Ų | 141.3 | 82% | 0.818 | 75% | 0.749 | S | S | * | * | | | trans | 83.8 | 114.6 | 140.3 | 162.7 | 0 | 0 | 0 | 0 | 122.1 | | |
| 636 | E | 27.9 | Very low | 30.4 | Very low | 177 Ų | 177 | 141.3 Ų | 141.3 | 83% | 0.827 | 74% | 0.744 | S | S | * | * | | | trans | 58.2 | 131 | 146.1 | -67 | -138.1 | 123.6 | 0 | 0 | 126.5 | | |
| 637 | D | 28.4 | Very low | 30.4 | Very low | 109 Ų | 109 | 146 Ų | 146 | 58% | 0.583 | 75% | 0.749 | S | S | * | * | | | trans | 51.7 | 112.8 | 136.1 | -141.4 | 22 | 0 | 0 | 0 | 118.5 | | |
| 638 | R | 29.6 | Very low | 30.5 | Very low | 196 Ų | 196 | 145.4 Ų | 145.4 | 74% | 0.74 | 75% | 0.749 | S | S | * | * | | | | -163.4 | 154.2 | 59.5 | -91.9 | -173.8 | 171.6 | 160.3 | 15.2 | 116 | | |
| 639 | K | 29.2 | Very low | 30.4 | Very low | 184 Ų | 184 | 147.9 Ų | 147.9 | 80% | 0.8 | 76% | 0.757 | S | S | * | * | | | trans | 50.9 | 94.4 | 153 | -64.3 | 176 | -178.7 | -178.8 | 0 | 116.7 | | |
| 640 | K | 33.1 | Very low | 30.4 | Very low | 203 Ų | 203 | 146.8 Ų | 146.8 | 88% | 0.883 | 75% | 0.754 | S | S | * | * | | | | 74.8 | 109.1 | 67.5 | -175.3 | -172.9 | 175.3 | -179.8 | 0 | 114.5 | | |
| 641 | D | 25.8 | Very low | 30.5 | Very low | 139 Ų | 139 | 148.2 Ų | 148.2 | 74% | 0.743 | 76% | 0.761 | S | S | * | * | | | trans | -154.2 | 178.8 | 130.9 | -143.2 | -28.9 | 0 | 0 | 0 | 111.3 | | |
| 642 | H | 28.2 | Very low | 30.3 | Very low | 138 Ų | 138 | 147.8 Ų | 147.8 | 64% | 0.639 | 76% | 0.764 | S | S | * | * | | | trans | 90.3 | 112.6 | 166.1 | -66.6 | -67.9 | 0 | 0 | 0 | 122.2 | | |
| 643 | F | 29.5 | Very low | 31 | Very low | 149 Ų | 149 | 149.8 Ų | 149.8 | 65% | 0.654 | 77% | 0.768 | S | S | * | * | | | | 82.9 | 112.4 | 125.4 | -72.1 | -31.2 | 0 | 0 | 0 | 124.4 | | |
| 644 | K | 34.8 | Very low | 30.7 | Very low | 148 Ų | 148 | 149.9 Ų | 149.9 | 64% | 0.643 | 76% | 0.759 | S | S | * | * | | | | 72.6 | 125.6 | 118.8 | -73.8 | 168 | -179.8 | 158.3 | 0 | 121.7 | | |
| 645 | K | 40.9 | Very low | 31.1 | Very low | 183 Ų | 183 | 152.1 Ų | 152.1 | 80% | 0.796 | 76% | 0.763 | S | S | * | * | | | trans | 69.4 | 121.2 | 134.7 | -68.3 | -176.8 | 174.6 | -169 | 0 | 119.7 | | |
| 646 | N | 26.3 | Very low | 31.3 | Very low | 130 Ų | 130 | 152.1 Ų | 152.1 | 70% | 0.695 | 76% | 0.758 | S | S | * | * | | | trans | -154.4 | 155.8 | 147.9 | -76.5 | -64.2 | 0 | 0 | 0 | 106.3 | | |
| 647 | R | 30.9 | Very low | 31.6 | Very low | 214 Ų | 214 | 147.5 Ų | 147.5 | 81% | 0.808 | 76% | 0.758 | S | S | * | * | | | cis | -154 | 179.1 | -17 | -112.2 | -179.9 | -51.8 | -114.4 | 16.7 | 107.8 | | |
| 648 | C | 32.2 | Very low | 31.7 | Very low | 114 Ų | 114 | 147 Ų | 147 | 77% | 0.77 | 77% | 0.769 | S | S | * | * | | | trans | -94.1 | 173.5 | -176.5 | -55.8 | 0 | 0 | 0 | 0 | 113.3 | | |
| 649 | L | 29.8 | Very low | 31.8 | Very low | 166 Ų | 166 | 147.2 Ų | 147.2 | 87% | 0.869 | 78% | 0.779 | S | S | * | * | | | trans | 74.6 | 156.6 | 164.7 | -50.2 | 177.1 | 0 | 0 | 0 | 116.8 | | |
| 650 | S | 29.9 | Very low | 31.8 | Very low | 89 Ų | 89 | 147.7 Ų | 147.7 | 62% | 0.622 | 78% | 0.783 | S | S | * | * | | | cis | -174.1 | 137.6 | -36.3 | 55 | 0 | 0 | 0 | 0 | 110.4 | | |
| 651 | I | 35.6 | Very low | 31.7 | Very low | 179 Ų | 179 | 143.3 Ų | 143.3 | 92% | 0.918 | 78% | 0.779 | S | S | * | * | | | trans | 65.8 | 133.8 | 165 | -60.8 | 169.6 | 0 | 0 | 0 | 116.6 | | |
| 652 | G | 26.6 | Very low | 31.8 | Very low | 73 Ų | 73 | 142 Ų | 142 | 75% | 0.753 | 78% | 0.776 | S | S | * | * | | | trans | 162.9 | 107.5 | 170.7 | 0 | 0 | 0 | 0 | 0 | 110.5 | | |
| 653 | I | 45.3 | Very low | 31.9 | Very low | 171 Ų | 171 | 144.9 Ų | 144.9 | 88% | 0.877 | 79% | 0.786 | S | S | * | * | | | trans | -103.9 | 119.7 | 177.9 | -61.3 | 174 | 0 | 0 | 0 | 108.4 | | |
| 654 | Q | 24.6 | Very low | 31.7 | Very low | 162 Ų | 162 | 143.4 Ų | 143.4 | 76% | 0.757 | 80% | 0.795 | S | S | * | * | | | trans | -150.7 | 137.6 | 161 | -165.9 | 166.3 | -25.9 | 0 | 0 | 108.8 | D656 | Q654-D656 PolarHBondContact NE2-OD2 3.48Š|
| 655 | V | 36 | Very low | 31.5 | Very low | 136 Ų | 136 | 139.8 Ų | 139.8 | 82% | 0.824 | 80% | 0.8 | S | S | * | * | | | trans | -134.2 | 110.6 | 176.7 | 178.2 | 0 | 0 | 0 | 0 | 107.1 | | |
| 656 | D | 32.2 | Very low | 31.1 | Very low | 134 Ų | 134 | 139.5 Ų | 139.5 | 72% | 0.717 | 80% | 0.801 | S | S | * | * | | | trans | -111.8 | 150.1 | 170 | -79.3 | -65.4 | 0 | 0 | 0 | 108.7 | Q654 | Q654-D656 PolarHBondContact NE2-OD2 3.48Š|
| 657 | G | 35 | Very low | 31.3 | Very low | 80 Ų | 80 | 139.2 Ų | 139.2 | 83% | 0.825 | 80% | 0.8 | S | S | * | * | | | trans | -161.4 | 133.5 | -178.4 | 0 | 0 | 0 | 0 | 0 | 114.1 | | |
| 658 | A | 31.3 | Very low | 31.3 | Very low | 99 Ų | 99 | 138.9 Ų | 138.9 | 82% | 0.818 | 80% | 0.804 | S | S | * | * | | | trans | -168.8 | 144.9 | -179.4 | 0 | 0 | 0 | 0 | 0 | 108.2 | | |
| 659 | E | 30 | Very low | 31 | Very low | 201 Ų | 201 | 137.3 Ų | 137.3 | 94% | 0.939 | 80% | 0.799 | S | S | * | * | | | cis | -131.6 | -173.9 | -7.2 | -63.1 | -169.7 | 91.9 | 0 | 0 | 109.8 | | |
| 660 | E | 30.4 | Very low | 30.9 | Very low | 193 Ų | 193 | 136 Ų | 136 | 90% | 0.902 | 80% | 0.799 | S | S | * | * | | | trans | -132.9 | 133.6 | -176.3 | 178.7 | -176.6 | -144.7 | 0 | 0 | 112.6 | | |
| 661 | S | 31 | Very low | 30.8 | Very low | 112 Ų | 112 | 137.2 Ų | 137.2 | 78% | 0.783 | 81% | 0.807 | S | S | * | * | | | trans | -169.3 | 144.8 | 154.2 | 59 | 0 | 0 | 0 | 0 | 109.8 | | |
| 662 | T | 27 | Very low | 30.7 | Very low | 112 Ų | 112 | 137.8 Ų | 137.8 | 69% | 0.687 | 80% | 0.802 | S | S | * | * | S | Bend | cis | -137.9 | 146.4 | 14.7 | 62.1 | 0 | 0 | 0 | 0 | 113 | | |
| 663 | K | 30.2 | Very low | 30.7 | Very low | 197 Ų | 197 | 144.4 Ų | 144.4 | 86% | 0.857 | 81% | 0.811 | S | S | * | * | S | Bend | trans | 66.2 | 134.7 | 162.8 | -57.1 | 166.6 | -175.6 | 175.7 | 0 | 117.7 | | |
| 664 | S | 26.5 | Very low | 29.9 | Very low | 118 Ų | 118 | 144.5 Ų | 144.5 | 83% | 0.825 | 81% | 0.808 | S | S | * | * | | | cis | -174.6 | 132.4 | -16.9 | 45.3 | 0 | 0 | 0 | 0 | 108 | | |
| 665 | G | 30.9 | Very low | 30.1 | Very low | 73 Ų | 73 | 141 Ų | 141 | 75% | 0.753 | 80% | 0.801 | S | S | * | * | | | cis | -177.2 | -172.8 | -4.7 | 0 | 0 | 0 | 0 | 0 | 111.5 | | |
| 666 | E | 31.7 | Very low | 29.7 | Very low | 176 Ų | 176 | 141.8 Ų | 141.8 | 82% | 0.822 | 80% | 0.799 | S | S | * | * | | | trans | 74.5 | 87.9 | 171.6 | -55.2 | -144.3 | 86.6 | 0 | 0 | 119.6 | | |
| 667 | N | 31.1 | Very low | 29.4 | Very low | 125 Ų | 125 | 138.5 Ų | 138.5 | 67% | 0.668 | 80% | 0.796 | S | S | * | * | | | | 84.4 | 95.1 | 122 | -68.3 | -52.7 | 0 | 0 | 0 | 122 | | |
| 668 | K | 29.3 | Very low | 29.2 | Very low | 207 Ų | 207 | 140.1 Ų | 140.1 | 90% | 0.9 | 79% | 0.79 | S | S | * | * | | | | 80.1 | 155.1 | 129.6 | -89.3 | 177.8 | 174.4 | 173.4 | 0 | 120.5 | | |
| 669 | A | 26.5 | Very low | 29.2 | Very low | 81 Ų | 81 | 143.3 Ų | 143.3 | 67% | 0.669 | 79% | 0.788 | S | S | * | * | | | trans | -125.6 | 170.9 | -173.2 | 0 | 0 | 0 | 0 | 0 | 112.1 | | |
| 670 | T | 27.3 | Very low | 29.4 | Very low | 139 Ų | 139 | 138.6 Ų | 138.6 | 85% | 0.853 | 77% | 0.773 | S | S | * | * | | | trans | 51.2 | 114.5 | 159.4 | 56.8 | 0 | 0 | 0 | 0 | 119.2 | | |
| 671 | S | 29.1 | Very low | 29.7 | Very low | 114 Ų | 114 | 137 Ų | 137 | 80% | 0.797 | 77% | 0.765 | S | S | * | * | | | | -152.4 | 159.4 | 110.7 | -164.3 | 0 | 0 | 0 | 0 | 110.7 | | |
| 672 | K | 32 | Very low | 29.6 | Very low | 190 Ų | 190 | 138.3 Ų | 138.3 | 83% | 0.826 | 76% | 0.759 | S | S | * | * | | | trans | -87.3 | 143.2 | 174.5 | -65.3 | 176.2 | 180 | 176 | 0 | 109.9 | | |
| 673 | F | 27.4 | Very low | 29.7 | Very low | 213 Ų | 213 | 140.6 Ų | 140.6 | 93% | 0.934 | 76% | 0.762 | S | S | * | * | | | trans | -123.6 | 159.2 | 145.4 | -88.3 | -80.1 | 0 | 0 | 0 | 110.4 | | |
| 674 | Q | 28.8 | Very low | 29.8 | Very low | 173 Ų | 173 | 138.4 Ų | 138.4 | 81% | 0.808 | 75% | 0.753 | S | S | * | * | | | trans | -121.4 | 162.2 | -170.3 | 170.3 | 175.7 | -21 | 0 | 0 | 109.3 | | |
| 675 | S | 27.8 | Very low | 29.8 | Very low | 87 Ų | 87 | 138 Ų | 138 | 61% | 0.608 | 75% | 0.749 | S | S | * | * | | | trans | 70 | 142.8 | 160.2 | 53.7 | 0 | 0 | 0 | 0 | 119.1 | | |
| 676 | I | 28.3 | Very low | 29.7 | Very low | 154 Ų | 154 | 143.7 Ų | 143.7 | 79% | 0.79 | 75% | 0.753 | S | S | * | * | | | trans | 68.1 | 129.8 | 169.6 | -51.4 | 133.4 | 0 | 0 | 0 | 112.4 | | |
| 677 | G | 26.5 | Very low | 29.6 | Very low | 64 Ų | 64 | 144.7 Ų | 144.7 | 66% | 0.66 | 75% | 0.749 | S | S | * | * | | | cis | 112.4 | 164.5 | 11.1 | 0 | 0 | 0 | 0 | 0 | 111.1 | | |
| 678 | V | 30.5 | Very low | 29.6 | Very low | 115 Ų | 115 | 147.9 Ų | 147.9 | 70% | 0.697 | 75% | 0.752 | S | S | * | * | | | trans | 68.3 | 108.5 | 166 | -177.3 | 0 | 0 | 0 | 0 | 116.7 | | |
| 679 | Q | 31 | Very low | 29.6 | Very low | 165 Ų | 165 | 147 Ų | 147 | 77% | 0.771 | 75% | 0.748 | S | S | * | * | | | trans | 67.8 | 175.7 | 148.4 | -131.4 | 163 | -36.7 | 0 | 0 | 113.2 | | |
| 680 | V | 34.6 | Very low | 29.8 | Very low | 103 Ų | 103 | 148.2 Ų | 148.2 | 62% | 0.624 | 75% | 0.748 | S | S | * | * | | | cis | -146 | 129.1 | 19.7 | 168.9 | 0 | 0 | 0 | 0 | 105.2 | | |
| 681 | E | 35.8 | Very low | 30 | Very low | 158 Ų | 158 | 152.4 Ų | 152.4 | 74% | 0.738 | 75% | 0.748 | S | S | * | * | | | | 64.3 | -174.8 | 92.7 | -135.1 | -175.9 | 141.6 | 0 | 0 | 114.8 | | |
| 682 | E | 30 | Very low | 30.1 | Very low | 140 Ų | 140 | 151.4 Ų | 151.4 | 65% | 0.654 | 74% | 0.741 | S | S | * | * | | | trans | 64.7 | 107.1 | -172.1 | -55.7 | -147.9 | 105.9 | 0 | 0 | 114.4 | K684 | E682-K684 IonicContact OE1-NZ 2.59Å; E682-K684 PolarHBondContact OE1-NZ 3.37Å |
| 683 | E | 29.5 | Very low | 30 | Very low | 160 Ų | 160 | 149.2 Ų | 149.2 | 75% | 0.748 | 74% | 0.738 | S | S | * | * | | | | 52 | 113.7 | 50.6 | -59.1 | -153.9 | 143.5 | 0 | 0 | 115.7 | | |
| 684 | K | 30.8 | Very low | 30.2 | Very low | 151 Ų | 151 | 143.9 Ų | 143.9 | 66% | 0.657 | 73% | 0.727 | S | S | * | * | | | trans | 147.1 | 91.4 | 139.3 | -78.2 | 142.4 | -151.1 | 166.8 | 0 | 108.6 | E682 | E682-K684 IonicContact OE1-NZ 2.59Å; E682-K684 PolarHBondContact OE1-NZ 3.37Å |
| 685 | C | 27.8 | Very low | 30.3 | Very low | 110 Ų | 110 | 141.3 Ų | 141.3 | 74% | 0.743 | 72% | 0.723 | S | S | * | * | | | | 52.3 | 108.4 | 66.5 | -158 | 0 | 0 | 0 | 0 | 113.2 | | |
| 686 | F | 28.7 | Very low | 30.6 | Very low | 192 Ų | 192 | 142.8 Ų | 142.8 | 84% | 0.842 | 73% | 0.729 | S | S | * | * | | | | -175.1 | 126.6 | 122.1 | -112.1 | -70.1 | 0 | 0 | 0 | 113.4 | | |
| 687 | R | 29.4 | Very low | 30.8 | Very low | 197 Ų | 197 | 141.3 Ų | 141.3 | 74% | 0.743 | 73% | 0.727 | S | S | * | * | | | | 178.4 | 114.2 | 125.3 | -100.2 | -177.4 | -173.4 | -155.8 | 4.3 | 113.2 | | |
| 688 | R | 31.3 | Very low | 31 | Very low | 192 Ų | 192 | 142.5 Ų | 142.5 | 73% | 0.725 | 73% | 0.731 | S | S | * | * | | | trans | 66.8 | 149.6 | 142.1 | -54.3 | 179.9 | -179.7 | 174.8 | -3.4 | 117.7 | | |
| 689 | F | 28.6 | Very low | 30.9 | Very low | 189 Ų | 189 | 143.7 Ų | 143.7 | 83% | 0.829 | 74% | 0.738 | S | S | * | * | | | cis | -145.1 | -170.8 | -14.6 | -141.8 | -113 | 0 | 0 | 0 | 109.9 | | |
| 690 | T | 31.7 | Very low | 30.9 | Very low | 107 Ų | 107 | 145.1 Ų | 145.1 | 66% | 0.656 | 75% | 0.745 | S | S | * | * | | | trans | -104.5 | 161.5 | -157.3 | 54.5 | 0 | 0 | 0 | 0 | 116.9 | | |
| 691 | R | 31 | Very low | 30.6 | Very low | 227 Ų | 227 | 144.7 Ų | 144.7 | 86% | 0.857 | 75% | 0.752 | S | S | * | * | | | trans | 93.1 | 112.5 | 134.8 | -136.1 | 177 | -166.1 | -92.1 | 5 | 119.6 | | |
| 692 | S | 31.8 | Very low | 30.4 | Very low | 92 Ų | 92 | 144.3 Ų | 144.3 | 64% | 0.643 | 76% | 0.755 | S | S | * | * | | | | 148 | 143.9 | 116.5 | -59.9 | 0 | 0 | 0 | 0 | 114.9 | | |
| 693 | N | 28.9 | Very low | 30.5 | Very low | 144 Ų | 144 | 145 Ų | 145 | 77% | 0.77 | 76% | 0.762 | S | S | * | * | | | trans | 16.1 | 142.2 | 155.9 | -53.3 | 9.5 | 0 | 0 | 0 | 121.4 | | |
| 694 | S | 31.5 | Very low | 30.7 | Very low | 102 Ų | 102 | 143.8 Ų | 143.8 | 71% | 0.713 | 76% | 0.761 | S | S | * | * | | | cis | 78.7 | 158.5 | 28.4 | 89.4 | 0 | 0 | 0 | 0 | 116.7 | | |
| 695 | V | 31.5 | Very low | 30.6 | Very low | 118 Ų | 118 | 145.7 Ų | 145.7 | 72% | 0.715 | 77% | 0.769 | S | S | * | * | | | trans | 92.6 | 105.5 | -168.6 | 178.6 | 0 | 0 | 0 | 0 | 111.8 | | |
| 696 | T | 32.7 | Very low | 30.7 | Very low | 119 Ų | 119 | 147.4 Ų | 147.4 | 73% | 0.73 | 77% | 0.766 | S | S | * | * | | | | 66.6 | 147 | 66 | 68 | 0 | 0 | 0 | 0 | 113.6 | | |
| 697 | T | 32.7 | Very low | 30.8 | Very low | 122 Ų | 122 | 145.1 Ų | 145.1 | 75% | 0.748 | 76% | 0.758 | S | S | * | * | | | cis | -142.8 | 153.1 | 33.2 | 46.6 | 0 | 0 | 0 | 0 | 110.8 | | |
| 698 | A | 31 | Very low | 30.8 | Very low | 90 Ų | 90 | 141.3 Ų | 141.3 | 74% | 0.744 | 75% | 0.753 | S | S | * | * | | | | 61.2 | 103.4 | 62.1 | 0 | 0 | 0 | 0 | 0 | 116.1 | | |
| 699 | V | 29.4 | Very low | 30.8 | Very low | 139 Ų | 139 | 140.3 Ų | 140.3 | 84% | 0.842 | 75% | 0.754 | S | S | * | * | | | trans | -146.5 | 140.8 | 147.3 | 174.9 | 0 | 0 | 0 | 0 | 107.3 | | |
| 700 | Q | 30.7 | Very low | 30.8 | Very low | 196 Ų | 196 | 138.5 Ų | 138.5 | 92% | 0.916 | 75% | 0.748 | S | S | * | * | | | trans | -125 | 129.6 | 162 | -172.2 | 177.6 | 4.9 | 0 | 0 | 106.9 | | |
| 701 | A | 28.8 | Very low | 30.7 | Very low | 94 Ų | 94 | 140 Ų | 140 | 78% | 0.777 | 75% | 0.751 | S | S | * | * | | | trans | -141.3 | 153.8 | 175.4 | 0 | 0 | 0 | 0 | 0 | 108.3 | | |
| 702 | D | 31.4 | Very low | 30.7 | Very low | 150 Ų | 150 | 137.1 Ų | 137.1 | 80% | 0.802 | 75% | 0.751 | S | S | * | * | | | trans | -133.4 | 170.9 | -164.9 | -164.5 | 7.1 | 0 | 0 | 0 | 110.1 | | |
| 703 | L | 32.3 | Very low | 30.5 | Very low | 154 Ų | 154 | 139.5 Ų | 139.5 | 81% | 0.806 | 76% | 0.756 | S | S | * | * | | | trans | 79.1 | 151.4 | 171.1 | -62.5 | 161.2 | 0 | 0 | 0 | 119.5 | | |
| 704 | D | 32.4 | Very low | 31.6 | Very low | 135 Ų | 135 | 137.5 Ų | 137.5 | 72% | 0.722 | 75% | 0.751 | S | S | * | * | | | trans | -99 | -179.4 | -169.2 | -56.4 | -88.8 | 0 | 0 | 0 | 115.1 | | |
| 705 | F | 29.3 | Very low | 31.3 | Very low | 190 Ų | 190 | 141.5 Ų | 141.5 | 83% | 0.833 | 76% | 0.758 | S | S | * | * | | | trans | 100.1 | 130.8 | 153.2 | -68.7 | -74.9 | 0 | 0 | 0 | 122 | | |
| 706 | H | 30.3 | Very low | 31.2 | Very low | 147 Ų | 147 | 144 Ų | 144 | 68% | 0.681 | 76% | 0.762 | S | S | * | * | | | trans | 69.9 | 114.6 | 148.3 | -102.8 | -90.8 | 0 | 0 | 0 | 123 | | |
| 707 | E | 30.8 | Very low | 31 | Very low | 144 Ų | 144 | 145.2 Ų | 145.2 | 67% | 0.673 | 76% | 0.764 | S | S | * | * | | | trans | 56.5 | 130.7 | 130.2 | -86 | -172.8 | -158 | 0 | 0 | 124.8 | | |
| 708 | N | 28.3 | Very low | 30.8 | Very low | 116 Ų | 116 | 145.2 Ų | 145.2 | 62% | 0.62 | 76% | 0.76 | S | S | * | * | | | trans | 85.4 | 129.8 | 130.5 | -82.3 | -40.6 | 0 | 0 | 0 | 123.3 | | |
| 709 | F | 30.9 | Very low | 30.6 | Very low | 171 Ų | 171 | 146.4 Ų | 146.4 | 75% | 0.75 | 76% | 0.758 | S | S | * | * | | | trans | 59.3 | 107 | 155.9 | -73.2 | -74.8 | 0 | 0 | 0 | 123.5 | | |
| 710 | E | 30.3 | Very low | 30.4 | Very low | 152 Ų | 152 | 145.7 Ų | 145.7 | 71% | 0.71 | 76% | 0.758 | S | S | * | * | | | | 37 | 118.2 | 126.4 | -69 | -166.3 | 130.9 | 0 | 0 | 123.5 | | |
| 711 | I | 29 | Very low | 30.1 | Very low | 139 Ų | 139 | 141.9 Ų | 141.9 | 71% | 0.713 | 75% | 0.752 | S | S | * | * | | | trans | 59 | 112.1 | 134.1 | -40.3 | 162.7 | 0 | 0 | 0 | 118.9 | | |
| 712 | I | 31.6 | Very low | 30 | Very low | 166 Ų | 166 | 140.7 Ų | 140.7 | 85% | 0.851 | 75% | 0.749 | S | S | * | * | | | | -176.3 | 151.4 | 116.1 | -94.9 | 172.6 | 0 | 0 | 0 | 110.1 | | |
| 713 | D | 26.8 | Very low | 29.9 | Very low | 141 Ų | 141 | 141.2 Ų | 141.2 | 75% | 0.754 | 75% | 0.747 | S | S | * | * | | | trans | -102 | -176.3 | -175.8 | -161.1 | 32.7 | 0 | 0 | 0 | 111.2 | | |
| 714 | P | 51 | Low | 29.7 | Very low | 103 Ų | 103 | 141.5 Ų | 141.5 | 67% | 0.669 | 75% | 0.746 | S | S | * | * | | | | -106 | 178.3 | -98.3 | 37.2 | -21.8 | 0 | 0 | 0 | 113.8 | | |
| 715 | Q | 26.3 | Very low | 29.4 | Very low | 186 Ų | 186 | 139.1 Ų | 139.1 | 87% | 0.869 | 74% | 0.74 | S | S | * | * | | | | -174.3 | 155.1 | 129.6 | -167.7 | 157.1 | -4.6 | 0 | 0 | 112.5 | | |
| 716 | E | 30 | Very low | 29.3 | Very low | 170 Ų | 170 | 139.7 Ų | 139.7 | 79% | 0.794 | 74% | 0.737 | S | S | * | * | | | trans | -69.2 | 168.7 | 174.1 | -51.4 | 157.7 | 132.6 | 0 | 0 | 111.5 | | |
| 717 | D | 27.7 | Very low | 29.2 | Very low | 144 Ų | 144 | 137.6 Ų | 137.6 | 77% | 0.77 | 73% | 0.727 | S | S | * | * | | | cis | -166.6 | 171.7 | 24.3 | -164 | 7.3 | 0 | 0 | 0 | 113.2 | | |
| 718 | N | 27.7 | Very low | 29.1 | Very low | 123 Ų | 123 | 140 Ų | 140 | 66% | 0.658 | 73% | 0.732 | S | S | * | * | | | trans | 96 | 134.9 | 138.6 | -146.6 | 9 | 0 | 0 | 0 | 124.4 | | |
| 719 | T | 26.6 | Very low | 28.9 | Very low | 114 Ų | 114 | 139.1 Ų | 139.1 | 70% | 0.699 | 73% | 0.734 | S | S | * | * | | | trans | 74.4 | 94.1 | 151.6 | 28 | 0 | 0 | 0 | 0 | 125.5 | | |
| 720 | C | 26.2 | Very low | 28.8 | Very low | 125 Ų | 125 | 141.1 Ų | 141.1 | 85% | 0.845 | 74% | 0.737 | S | S | * | * | | | | 47.4 | 127.2 | 113.2 | -166 | 0 | 0 | 0 | 0 | 124 | | |
| 721 | S | 25.1 | Very low | 28.7 | Very low | 115 Ų | 115 | 139.7 Ų | 139.7 | 80% | 0.804 | 73% | 0.734 | S | S | * | * | | | | 179.9 | 126.5 | 127.2 | -174 | 0 | 0 | 0 | 0 | 115.9 | | |
| 722 | G | 25.9 | Very low | 28.5 | Very low | 69 Ų | 69 | 137.6 Ų | 137.6 | 71% | 0.711 | 74% | 0.737 | S | S | * | * | | | trans | 71.1 | 163.7 | 151.5 | 0 | 0 | 0 | 0 | 0 | 120.8 | | |
| 723 | Q | 28.5 | Very low | 28.4 | Very low | 161 Ų | 161 | 134.7 Ų | 134.7 | 75% | 0.752 | 73% | 0.732 | S | S | * | * | | | cis | -164.6 | 114 | -19.5 | -149.8 | -174.5 | -80.8 | 0 | 0 | 113.1 | | |
| 724 | M | 28.2 | Very low | 28.4 | Very low | 161 Ų | 161 | 134.2 Ų | 134.2 | 79% | 0.793 | 73% | 0.734 | S | S | * | * | | | trans | 54.5 | -178.7 | 163.2 | 69.4 | 173.5 | 65.1 | 0 | 0 | 117 | | |
| 725 | S | 27.3 | Very low | 27.2 | Very low | 84 Ų | 84 | 134.4 Ų | 134.4 | 59% | 0.587 | 74% | 0.738 | S | S | * | * | | | cis | -161.8 | 167.3 | -11.9 | -107 | 0 | 0 | 0 | 0 | 105.6 | | |
| 726 | R | 26.8 | Very low | 27.5 | Very low | 203 Ų | 203 | 131.4 Ų | 131.4 | 77% | 0.766 | 73% | 0.733 | S | S | * | * | | | cis | -180 | 164.3 | -11 | -101 | -178.4 | -163.6 | -105.1 | 14.3 | 107.2 | | |
| 727 | Q | 29.1 | Very low | 27.5 | Very low | 103 Ų | 103 | 129.7 Ų | 129.7 | 48% | 0.481 | 73% | 0.733 | S | S | . | * | | | cis | -175.2 | 155.8 | -26.8 | -139.4 | 171.8 | -5 | 0 | 0 | 110.3 | | |
| 728 | Y | 27.8 | Very low | 27.5 | Very low | 195 Ų | 195 | 128.7 Ų | 128.7 | 77% | 0.765 | 74% | 0.738 | S | S | * | * | | | trans | 69.3 | 157.7 | 158.2 | -63.4 | -44.6 | 0 | 0 | 0 | 120.1 | | |
| 729 | S | 24.6 | Very low | 27.6 | Very low | 97 Ų | 97 | 130 Ų | 130 | 68% | 0.678 | 74% | 0.743 | S | S | * | * | | | cis | -174.6 | 161.4 | -21.8 | -175.6 | 0 | 0 | 0 | 0 | 111.7 | | |
| 730 | R | 27.9 | Very low | 27.7 | Very low | 213 Ų | 213 | 133.4 Ų | 133.4 | 80% | 0.804 | 75% | 0.751 | S | S | * | * | | | | 113.5 | 108 | 129.7 | -140.8 | 172.4 | -169.2 | 176 | 0.7 | 123.2 | | |
| 731 | D | 28 | Very low | 27.8 | Very low | 121 Ų | 121 | 131.3 Ų | 131.3 | 65% | 0.647 | 75% | 0.75 | S | S | * | * | | | trans | 36.3 | 123.2 | 131.2 | -32.7 | -26.1 | 0 | 0 | 0 | 124.7 | | |
| 732 | A | 26.3 | Very low | 28.1 | Very low | 95 Ų | 95 | 131.8 Ų | 131.8 | 79% | 0.785 | 75% | 0.754 | S | S | * | * | | | | 81.8 | 156.6 | 118 | 0 | 0 | 0 | 0 | 0 | 124.8 | | |
| 733 | S | 27.7 | Very low | 28.3 | Very low | 105 Ų | 105 | 131.7 Ų | 131.7 | 73% | 0.734 | 75% | 0.753 | S | S | * | * | | | trans | 69.1 | 120.8 | 166.7 | -58.5 | 0 | 0 | 0 | 0 | 117.7 | | |
| 734 | T | 27.2 | Very low | 28.3 | Very low | 131 Ų | 131 | 132 Ų | 132 | 80% | 0.804 | 76% | 0.76 | S | S | * | * | | | | 63.8 | 101.3 | 52.3 | 74.3 | 0 | 0 | 0 | 0 | 115.7 | | |
| 735 | S | 26.8 | Very low | 28.4 | Very low | 108 Ų | 108 | 132 Ų | 132 | 76% | 0.755 | 76% | 0.758 | S | S | * | * | | | | 174.8 | 168 | 113.5 | -146.1 | 0 | 0 | 0 | 0 | 115.4 | | |
| 736 | T | 31.4 | Very low | 28.2 | Very low | 122 Ų | 122 | 139.3 Ų | 139.3 | 75% | 0.748 | 77% | 0.774 | S | S | * | * | | | trans | 52 | 105.5 | 156.2 | 51.7 | 0 | 0 | 0 | 0 | 123 | | |
| 737 | V | 29.8 | Very low | 28.3 | Very low | 134 Ų | 134 | 137.7 Ų | 137.7 | 81% | 0.812 | 78% | 0.775 | S | S | * | * | | | | 29.3 | 126.2 | 117.3 | -178.9 | 0 | 0 | 0 | 0 | 119.8 | | |
| 738 | S | 29 | Very low | 28.2 | Very low | 123 Ų | 123 | 136.6 Ų | 136.6 | 86% | 0.86 | 78% | 0.783 | S | S | * | * | | | trans | -161.1 | 169.7 | 139.8 | -89.7 | 0 | 0 | 0 | 0 | 113.5 | | |
| 739 | I | 28.9 | Very low | 28.4 | Very low | 151 Ų | 151 | 133.4 Ų | 133.4 | 77% | 0.774 | 79% | 0.788 | S | S | * | * | | | trans | -97.2 | 161.6 | -154.2 | -40.1 | 168.2 | 0 | 0 | 0 | 113 | | |
| 740 | Q | 29.3 | Very low | 28.5 | Very low | 186 Ų | 186 | 132.7 Ų | 132.7 | 87% | 0.869 | 79% | 0.788 | S | S | * | * | | | trans | 88.4 | 115.4 | 147.9 | -142.7 | 156.3 | -47.9 | 0 | 0 | 116.8 | | |
| 741 | G | 28 | Very low | 28.5 | Very low | 80 Ų | 80 | 129.2 Ų | 129.2 | 83% | 0.825 | 79% | 0.79 | S | S | * | * | | | trans | -105.4 | 173.9 | -172.8 | 0 | 0 | 0 | 0 | 0 | 115.3 | | |
| 742 | S | 32.4 | Very low | 28.9 | Very low | 125 Ų | 125 | 130.8 Ų | 130.8 | 87% | 0.874 | 80% | 0.799 | S | S | * | * | | | trans | -162.2 | 153.2 | 165.1 | 59.7 | 0 | 0 | 0 | 0 | 111 | | |
| 743 | G | 29.3 | Very low | 29 | Very low | 68 Ų | 68 | 133.4 Ų | 133.4 | 70% | 0.701 | 80% | 0.799 | S | S | * | * | | | trans | 72.3 | 72.5 | 143.6 | 0 | 0 | 0 | 0 | 0 | 119.9 | H745 | G743-H745 PolarHBondContact O-N 3.47Š|
| 744 | N | 28.9 | Very low | 29.5 | Very low | 167 Ų | 167 | 135.1 Ų | 135.1 | 89% | 0.893 | 80% | 0.8 | S | S | * | * | | | trans | 9.6 | 93.4 | 140.4 | -54.5 | -2.7 | 0 | 0 | 0 | 118.5 | | |
| 745 | H | 29.3 | Very low | 29.6 | Very low | 161 Ų | 161 | 137.3 Ų | 137.3 | 75% | 0.745 | 80% | 0.799 | S | S | * | * | | | trans | -155.4 | 118.9 | 144.9 | -146.5 | 70.3 | 0 | 0 | 0 | 111.8 | G743 | G743-H745 PolarHBondContact O-N 3.47Š|
| 746 | Y | 24.7 | Very low | 30.3 | Very low | 238 Ų | 238 | 139.1 Ų | 139.1 | 93% | 0.933 | 80% | 0.8 | S | S | * | * | | | trans | -139.5 | 128.8 | 164.8 | -81.5 | -72.8 | 0 | 0 | 0 | 109.5 | | |
| 747 | H | 28.4 | Very low | 30.5 | Very low | 168 Ų | 168 | 138 Ų | 138 | 78% | 0.778 | 79% | 0.793 | S | S | * | * | | | trans | -133.6 | 156.6 | 170.9 | -145.6 | -75.5 | 0 | 0 | 0 | 107 | | |
| 748 | A | 27.4 | Very low | 31.1 | Very low | 80 Ų | 80 | 139.2 Ų | 139.2 | 66% | 0.661 | 80% | 0.796 | S | S | * | * | | | trans | 72.6 | 111.6 | 177.7 | 0 | 0 | 0 | 0 | 0 | 117.6 | | |
| 749 | C | 30.6 | Very low | 31.5 | Very low | 128 Ų | 128 | 142.7 Ų | 142.7 | 87% | 0.865 | 80% | 0.795 | S | S | * | * | | | | 36.6 | 129.2 | 127.3 | -45 | 0 | 0 | 0 | 0 | 120.3 | | |
| 750 | A | 27.4 | Very low | 32 | Very low | 83 Ų | 83 | 139.2 Ų | 139.2 | 69% | 0.686 | 78% | 0.779 | S | S | * | * | | | | -176 | 171.9 | 95.7 | 0 | 0 | 0 | 0 | 0 | 112.8 | | |
| 751 | V | 28.6 | Very low | 32.7 | Very low | 139 Ų | 139 | 135.5 Ų | 135.5 | 84% | 0.842 | 77% | 0.77 | S | S | * | * | | | trans | 65 | 154 | 160.7 | -61.4 | 0 | 0 | 0 | 0 | 120.4 | | |
| 752 | D | 34.9 | Very low | 33.5 | Very low | 154 Ų | 154 | 134.4 Ų | 134.4 | 82% | 0.824 | 75% | 0.75 | S | S | * | * | | | trans | -84.9 | 164.3 | -165.2 | -41.6 | -106.3 | 0 | 0 | 0 | 113.4 | | |
| 753 | D | 30.2 | Very low | 33.9 | Very low | 150 Ų | 150 | 134.8 Ų | 134.8 | 80% | 0.802 | 74% | 0.741 | S | S | * | * | | | trans | -143.5 | 140.3 | 145.2 | -139.9 | -22.8 | 0 | 0 | 0 | 109.4 | | |
| 754 | D | 37.7 | Very low | 34.5 | Very low | 141 Ų | 141 | 138.2 Ų | 138.2 | 75% | 0.754 | 74% | 0.743 | S | S | * | * | | | trans | -100.6 | 117 | -166.6 | -177 | 26 | 0 | 0 | 0 | 110.9 | | |
| 755 | F | 29.8 | Very low | 35.2 | Very low | 177 Ų | 177 | 135.1 Ų | 135.1 | 78% | 0.776 | 73% | 0.732 | S | S | * | * | | | trans | -136.9 | 79.5 | 178.9 | -92.5 | -78.6 | 0 | 0 | 0 | 112.2 | | |
| 756 | D | 40 | Very low | 36.1 | Very low | 146 Ų | 146 | 131.5 Ų | 131.5 | 78% | 0.781 | 72% | 0.722 | S | S | * | * | | | trans | -62.2 | 125.2 | 162 | -172.2 | 15.8 | 0 | 0 | 0 | 110.8 | | |
| 757 | T | 35.7 | Very low | 36.9 | Very low | 98 Ų | 98 | 125 Ų | 125 | 60% | 0.601 | 71% | 0.709 | S | S | * | * | | | trans | -162.2 | 131.6 | 170.1 | -64.7 | 0 | 0 | 0 | 0 | 108.9 | F759 | T757-F759 PolarHBondContact O-N 3.09Š|
| 758 | D | 43.7 | Very low | 37.4 | Very low | 161 Ų | 161 | 123.3 Ų | 123.3 | 86% | 0.861 | 71% | 0.706 | S | S | * | * | | | trans | -52.6 | 101.7 | -173.4 | -58.7 | -88.9 | 0 | 0 | 0 | 114.5 | | |
| 759 | F | 36.2 | Very low | 38.6 | Very low | 195 Ų | 195 | 124.3 Ų | 124.3 | 86% | 0.855 | 71% | 0.705 | S | S | * | * | | | trans | -95.1 | 106.9 | 167.2 | -102.8 | -91.1 | 0 | 0 | 0 | 110.4 | T757 P761 | T757-F759 PolarHBondContact O-N 3.09Å; F759-P761 VanDerWaalsContact O-CD 3.28Å; F759-P761 WeakPolarHBondContact O-CD 3.49Å |
| 760 | D | 40.4 | Very low | 39.8 | Very low | 79 Ų | 79 | 127.4 Ų | 127.4 | 42% | 0.422 | 70% | 0.699 | S | S | . | * | | | trans | -73.7 | 112.6 | 174.4 | -177.8 | -6.5 | 0 | 0 | 0 | 110.7 | S762 I763 | D760-S762 PolarHBondContact O-N 2.91Å; D760-S762 VanDerWaalsContact OD1-CB 3.24Å; D760-S762 WeakPolarHBondContact OD1-CB 3.41Å; D760-S762 PolarHBondContact OD1-N 2.99Å; D760-S762 PolarHBondContact OD1-OG 2.77Å; D760-S762 PolarHBondContact OD2-OG 2.67Å; D760-S762 VanDerWaalsContact OD2-OG 3.13Å; D760-I763 HydrophobicContact CB-CD1 4.22Å |
| 761 | P | 42.9 | Very low | 40.2 | Very low | 107 Ų | 107 | 128.8 Ų | 128.8 | 70% | 0.695 | 69% | 0.694 | S | S | * | * | G | 310 helix | trans | -72.4 | -11.4 | -178.9 | 31.5 | -36.1 | 0 | 0 | 0 | 113.2 | F759 I763 | F759-P761 VanDerWaalsContact O-CD 3.28Å; F759-P761 WeakPolarHBondContact O-CD 3.49Å; P761-I763 PolarHBondContact O-N 2.98Å |
| 762 | S | 44.7 | Very low | 40.6 | Very low | 57 Ų | 57 | 129.6 Ų | 129.6 | 40% | 0.399 | 69% | 0.693 | S | S | . | * | G | 310 helix | trans | -76.7 | -6.3 | -175.3 | 74 | 0 | 0 | 0 | 0 | 114.7 | D760 | D760-S762 PolarHBondContact O-N 2.91Å; D760-S762 VanDerWaalsContact OD1-CB 3.24Å; D760-S762 WeakPolarHBondContact OD1-CB 3.41Å; D760-S762 PolarHBondContact OD1-N 2.99Å; D760-S762 PolarHBondContact OD1-OG 2.77Å; D760-S762 PolarHBondContact OD2-OG 2.67Å; D760-S762 VanDerWaalsContact OD2-OG 3.13Å |
| 763 | I | 42.1 | Very low | 40.7 | Very low | 133 Ų | 133 | 127.1 Ų | 127.1 | 68% | 0.682 | 69% | 0.689 | S | S | * | * | G | 310 helix | trans | -95.7 | -10 | -175.9 | -57.3 | 178.3 | 0 | 0 | 0 | 112.4 | D760 P761 | D760-I763 HydrophobicContact CB-CD1 4.22Å; P761-I763 PolarHBondContact O-N 2.98Å |
| 764 | L | 40.6 | Very low | 41 | Very low | 141 Ų | 141 | 126.5 Ų | 126.5 | 74% | 0.738 | 68% | 0.684 | S | S | * | * | P | Polyproline II helix | trans | -69.1 | 129.7 | 178.5 | -67.5 | 178.1 | 0 | 0 | 0 | 111.7 | | |
| 765 | P | 45.2 | Very low | 41.3 | Very low | 102 Ų | 102 | 126.4 Ų | 126.4 | 66% | 0.662 | 69% | 0.688 | S | S | * | * | P | Polyproline II helix | trans | -64.2 | 154.5 | 164.7 | 30.2 | -34.2 | 0 | 0 | 0 | 109.7 | | |
| 766 | P | 46.8 | Very low | 41.6 | Very low | 84 Ų | 84 | 125.8 Ų | 125.8 | 55% | 0.545 | 69% | 0.688 | S | S | . | * | P | Polyproline II helix | trans | -57.2 | 135.7 | 174.2 | 25.8 | -34.2 | 0 | 0 | 0 | 109.7 | D768 | P766-D768 PolarHBondContact O-N 3.09Š|
| 767 | P | 42.7 | Very low | 41.2 | Very low | 103 Ų | 103 | 124.4 Ų | 124.4 | 67% | 0.669 | 68% | 0.68 | S | S | * | * | P | Polyproline II helix | trans | -64.6 | 123.8 | -173.9 | 24.9 | -33.7 | 0 | 0 | 0 | 110.9 | | |
| 768 | D | 37.1 | Very low | 41.5 | Very low | 132 Ų | 132 | 125.2 Ų | 125.2 | 71% | 0.706 | 69% | 0.688 | S | S | * | * | P | Polyproline II helix | trans | -62.3 | 130.2 | 176.8 | -115.8 | -38.5 | 0 | 0 | 0 | 109.4 | P766 W770 | P766-D768 PolarHBondContact O-N 3.09Å; D768-W770 PolarHBondContact O-N 3.17Å |
| 769 | P | 53.7 | Low | 41.4 | Very low | 100 Ų | 100 | 124.3 Ų | 124.3 | 65% | 0.649 | 68% | 0.682 | S | S | * | * | S | Bend | trans | -73.4 | 28.3 | -165.2 | -22.7 | 35.9 | 0 | 0 | 0 | 117.8 | | |
| 770 | W | 56.2 | Low | 41.5 | Very low | 193 Ų | 193 | 123 Ų | 123 | 73% | 0.731 | 68% | 0.678 | S | S | * | * | | | trans | -153.3 | 152.9 | -172.3 | 64.7 | -47.2 | 0 | 0 | 0 | 115.4 | D768 | D768-W770 PolarHBondContact O-N 3.17Š|
| 771 | I | 35.1 | Very low | 41.5 | Very low | 112 Ų | 112 | 121.9 Ų | 121.9 | 57% | 0.574 | 68% | 0.68 | S | S | * | * | | | trans | 81.1 | 71.6 | 174.4 | -41.2 | -177.9 | 0 | 0 | 0 | 116.1 | S773 | I771-S773 WeakPolarHBondContact CG2-OG 3.49Š|
| 772 | D | 37.1 | Very low | 41.4 | Very low | 156 Ų | 156 | 123.2 Ų | 123.2 | 83% | 0.834 | 69% | 0.686 | S | S | * | * | | | trans | -74.4 | 104.2 | 132.5 | -88.3 | -45.8 | 0 | 0 | 0 | 107.9 | | |
| 773 | S | 37.7 | Very low | 41.1 | Very low | 103 Ų | 103 | 128.4 Ų | 128.4 | 72% | 0.72 | 70% | 0.704 | S | S | * | * | | | trans | -98.4 | 77.3 | 167.8 | -88.6 | 0 | 0 | 0 | 0 | 109.9 | I771 | I771-S773 WeakPolarHBondContact CG2-OG 3.49Š|
| 774 | I | 35.2 | Very low | 41 | Very low | 137 Ų | 137 | 132 Ų | 132 | 70% | 0.703 | 71% | 0.709 | S | S | * | * | | | trans | -74.6 | 124.8 | 167.4 | -44.1 | 179.5 | 0 | 0 | 0 | 108 | E776 | I774-E776 HydrophobicContact CG2-CG 4.28Å; I774-E776 PolarHBondContact O-N 3.12Å; I774-E776 VanDerWaalsContact O-N 3.17Å |
| 775 | T | 43.6 | Very low | 40.9 | Very low | 138 Ų | 138 | 129 Ų | 129 | 85% | 0.847 | 70% | 0.7 | S | S | * | * | | | trans | -77.8 | 94.3 | 179.8 | -52.9 | 0 | 0 | 0 | 0 | 110.1 | | |
| 776 | E | 36.3 | Very low | 41.2 | Very low | 164 Ų | 164 | 130.7 Ų | 130.7 | 77% | 0.766 | 71% | 0.708 | S | S | * | * | | | trans | -135.3 | 163.9 | 179.2 | -85.6 | -59.2 | 161.1 | 0 | 0 | 114.4 | I774 | I774-E776 HydrophobicContact CG2-CG 4.28Å; I774-E776 PolarHBondContact O-N 3.12Å; I774-E776 VanDerWaalsContact O-N 3.17Å |
| 777 | D | 33 | Very low | 41.6 | Very low | 117 Ų | 117 | 131.3 Ų | 131.3 | 63% | 0.626 | 71% | 0.713 | S | S | * | * | | | trans | -65.8 | 144.4 | -150.7 | -145.2 | 16.2 | 0 | 0 | 0 | 115.9 | L779 | D777-L779 PolarHBondContact O-N 2.79Š|
| 778 | P | 40.8 | Very low | 43 | Very low | 116 Ų | 116 | 130.2 Ų | 130.2 | 75% | 0.753 | 71% | 0.706 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -66.8 | 7.8 | -172.3 | -24.6 | 36.5 | 0 | 0 | 0 | 118.4 | | |
| 779 | L | 41.3 | Very low | 45.1 | Very low | 142 Ų | 142 | 131.2 Ų | 131.2 | 74% | 0.743 | 70% | 0.7 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -93.3 | -29.5 | -168.2 | -82.5 | 158.3 | 0 | 0 | 0 | 115 | D777 A781 | D777-L779 PolarHBondContact O-N 2.79Å; L779-A781 VanDerWaalsContact C-N 3.28Å; L779-A781 PolarHBondContact O-N 2.96Å |
| 780 | E | 39.4 | Very low | 46.7 | Very low | 166 Ų | 166 | 128.4 Ų | 128.4 | 78% | 0.776 | 68% | 0.68 | S | S | * | * | | | trans | -90.7 | 41.6 | -178.4 | -80.1 | -60.3 | 152.1 | 0 | 0 | 114.2 | V782 | E780-V782 PolarHBondContact O-N 2.65Å; E780-V782 VanDerWaalsContact O-N 3.12Å |
| 781 | A | 39.7 | Very low | 48.5 | Very low | 56 Ų | 56 | 119.2 Ų | 119.2 | 46% | 0.463 | 65% | 0.645 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -74.2 | 3.4 | -177.8 | 0 | 0 | 0 | 0 | 0 | 115 | L779 | L779-A781 VanDerWaalsContact C-N 3.28Å; L779-A781 PolarHBondContact O-N 2.96Å |
| 782 | V | 41.4 | Very low | 51.3 | Low | 135 Ų | 135 | 119.3 Ų | 119.3 | 82% | 0.818 | 64% | 0.642 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -103.9 | 0.9 | -167.4 | -174.6 | 0 | 0 | 0 | 0 | 113.6 | E780 | E780-V782 PolarHBondContact O-N 2.65Å; E780-V782 VanDerWaalsContact O-N 3.12Å |
| 783 | Q | 38.9 | Very low | 54.1 | Low | 167 Ų | 167 | 115.1 Ų | 115.1 | 78% | 0.78 | 62% | 0.615 | S | S | * | * | | | trans | -137 | 63 | 166.3 | -129.4 | 171.5 | 75 | 0 | 0 | 114 | S785 | Q783-S785 PolarHBondContact O-N 2.76Š|
| 784 | R | 38.4 | Very low | 56.8 | Low | 209 Ų | 209 | 110.3 Ų | 110.3 | 79% | 0.789 | 58% | 0.581 | S | S | * | * | | | trans | -68.6 | 74.7 | 153.6 | -71.6 | -172.3 | -176 | 79.4 | 1.9 | 109.6 | V786 | R784-V786 PolarHBondContact O-N 2.84Š|
| 785 | S | 39.5 | Very low | 59.8 | Low | 78 Ų | 78 | 105.7 Ų | 105.7 | 55% | 0.545 | 56% | 0.558 | S | S | . | * | | | trans | -57.6 | 123.3 | 160.4 | 46.3 | 0 | 0 | 0 | 0 | 107.6 | Q783 C787 | Q783-S785 PolarHBondContact O-N 2.76Å; S785-C787 PolarHBondContact O-N 3.09Å |
| 786 | V | 52.2 | Low | 62.3 | Low | 137 Ų | 137 | 107.2 Ų | 107.2 | 83% | 0.83 | 55% | 0.553 | S | S | * | * | | | trans | -64.1 | 107.3 | 159.7 | 175.4 | 0 | 0 | 0 | 0 | 104.5 | R784 P788 | R784-V786 PolarHBondContact O-N 2.84Å; V786-P788 VanDerWaalsContact O-CD 3.27Å; V786-P788 WeakPolarHBondContact O-CD 3.38Å |
| 787 | C | 54.7 | Low | 65.1 | Low | 97 Ų | 97 | 101.8 Ų | 101.8 | 66% | 0.655 | 53% | 0.529 | S | S | * | . | | | trans | -47.8 | 115.7 | -179.1 | -66 | 0 | 0 | 0 | 0 | 108.7 | S785 R789 | S785-C787 PolarHBondContact O-N 3.09Å; C787-R789 PolarHBondContact O-N 3.44Å |
| 788 | P | 71 | Confident | 68.2 | Low | 80 Ų | 80 | 96.2 Ų | 96.2 | 52% | 0.519 | 50% | 0.499 | S | S | . | . | | | trans | -56.3 | 139.5 | -178.7 | -26.4 | 35.7 | 0 | 0 | 0 | 109.6 | V786 D790 | V786-P788 VanDerWaalsContact O-CD 3.27Å; V786-P788 WeakPolarHBondContact O-CD 3.38Å; P788-D790 HydrophobicContact CB-CB 4.28Å; P788-D790 PolarHBondContact O-N 3.32Å |
| 789 | R | 81.7 | Confident | 70.9 | Confident | 152 Ų | 152 | 94.1 Ų | 94.1 | 57% | 0.574 | 48% | 0.479 | S | S | * | . | | | trans | -75.9 | 69.6 | 164.2 | -67.5 | -167.8 | -179.7 | -159 | 0.3 | 108.2 | C787 W793 F794 S865 | C787-R789 PolarHBondContact O-N 3.44Å; R789-W793 HydrophobicContact CB-CD2 4.46Å; R789-W793 HydrophobicContact CB-CE3 4.1Å; R789-W793 HydrophobicContact CG-CD2 4Å; R789-W793 HydrophobicContact CG-CE3 3.9Å; R789-W793 HydrophobicContact CG-CG 4.48Å; R789-W793 HydrophobicContact CG-CZ3 4.28Å; R789-F794 HydrophobicContact CB-CE2 3.92Å; R789-F794 HydrophobicContact CB-CZ 4.33Å; R789-F794 WeakPolarHBondContact O-CE2 3.38Å; R789-S865 WeakPolarHBondContact O-CB 3.38Å; R789-S865 PolarHBondContact O-OG 3.26Å |
| 790 | D | 87.8 | Confident | 73.5 | Confident | 42 Ų | 42 | 89.2 Ų | 89.2 | 23% | 0.225 | 46% | 0.459 | C | S | . | . | | | trans | -89.2 | 179.8 | 175.1 | 64.6 | 16.4 | 0 | 0 | 0 | 110.6 | P788 H792 W793 F794 L855 | P788-D790 HydrophobicContact CB-CB 4.28Å; P788-D790 PolarHBondContact O-N 3.32Å; D790-H792 PolarHBondContact O-N 3.3Å; D790-H792 WeakPolarHBondContact OD1-CA 3.36Å; D790-H792 WeakPolarHBondContact OD1-CB 3.28Å; D790-H792 PolarHBondContact OD1-N 3.5Å; D790-H792 IonicContact OD2-CD2 3.47Å; D790-W793 PolarHBondContact O-N 3.11Å; D790-W793 VanDerWaalsContact O-N 3.15Å; D790-W793 PolarHBondContact OD1-N 3.07Å; D790-F794 VanDerWaalsContact O-CD2 3.27Å; D790-F794 WeakPolarHBondContact O-CD2 3.48Å; D790-F794 PolarHBondContact O-N 3.4Å; D790-F794 VanDerWaalsContact O-N 3.12Å; D790-L855 HydrophobicContact CB-CD2 4.41Å |
| 791 | G | 92.8 | Very high | 76.2 | Confident | 0 Ų | 0 | 82.2 Ų | 82.2 | 0% | 0 | 43% | 0.426 | C | S | . | . | H | α-helix | trans | -55.8 | -29.8 | 175.5 | 0 | 0 | 0 | 0 | 0 | 113.5 | F794 L795 N854 | G791-F794 PolarHBondContact O-N 2.94Å; G791-L795 WeakPolarHBondContact O-CB 3.38Å; G791-L795 WeakPolarHBondContact O-CD1 3.35Å; G791-L795 WeakPolarHBondContact O-CG 3.34Å; G791-L795 PolarHBondContact O-N 2.76Å; G791-N854 PolarHBondContact N-OD1 2.84Å |
| 792 | H | 94.8 | Very high | 79 | Confident | 113 Ų | 113 | 82.1 Ų | 82.1 | 52% | 0.523 | 41% | 0.414 | S | S | . | . | H | α-helix | trans | -68.8 | -40.4 | 177.6 | -66.4 | -62 | 0 | 0 | 0 | 111.7 | D790 K796 L855 | D790-H792 PolarHBondContact O-N 3.3Å; D790-H792 WeakPolarHBondContact OD1-CA 3.36Å; D790-H792 WeakPolarHBondContact OD1-CB 3.28Å; D790-H792 PolarHBondContact OD1-N 3.5Å; D790-H792 IonicContact OD2-CD2 3.47Å; H792-K796 WeakPolarHBondContact O-CG 3.39Å; H792-K796 PolarHBondContact O-N 2.89Å; H792-L855 WeakPolarHBondContact CD2-CD2 3.49Å; H792-L855 WeakPolarHBondContact ND1-CD1 3.36Å |
| 793 | W | 94.9 | Very high | 81.6 | Confident | 69 Ų | 69 | 79.7 Ų | 79.7 | 26% | 0.261 | 40% | 0.396 | S | S | . | . | H | α-helix | trans | -63.1 | -48.3 | 174.1 | -173.2 | 81.2 | 0 | 0 | 0 | 111.4 | R789 D790 L795 K796 L797 | R789-W793 HydrophobicContact CB-CD2 4.46Å; R789-W793 HydrophobicContact CB-CE3 4.1Å; R789-W793 HydrophobicContact CG-CD2 4Å; R789-W793 HydrophobicContact CG-CE3 3.9Å; R789-W793 HydrophobicContact CG-CG 4.48Å; R789-W793 HydrophobicContact CG-CZ3 4.28Å; D790-W793 PolarHBondContact O-N 3.11Å; D790-W793 VanDerWaalsContact O-N 3.15Å; D790-W793 PolarHBondContact OD1-N 3.07Å; W793-L795 PolarHBondContact O-N 3.02Å; W793-K796 PolarHBondContact O-N 2.88Å; W793-L797 HydrophobicContact CH2-CD2 3.57Å; W793-L797 HydrophobicContact CZ2-CD2 4.22Å; W793-L797 HydrophobicContact CZ3-CD2 3.78Å; W793-L797 PolarHBondContact O-N 2.96Å |
| 794 | F | 96.4 | Very high | 84.4 | Confident | 2 Ų | 2 | 75 Ų | 75 | 1% | 0.009 | 37% | 0.371 | C | S | . | . | H | α-helix | trans | -67.2 | -34.9 | 179.8 | -77.1 | -70.7 | 0 | 0 | 0 | 113.3 | R789 D790 G791 L797 L798 F847 C851 L868 A869 W872 | R789-F794 HydrophobicContact CB-CE2 3.92Å; R789-F794 HydrophobicContact CB-CZ 4.33Å; R789-F794 WeakPolarHBondContact O-CE2 3.38Å; D790-F794 VanDerWaalsContact O-CD2 3.27Å; D790-F794 WeakPolarHBondContact O-CD2 3.48Å; D790-F794 PolarHBondContact O-N 3.4Å; D790-F794 VanDerWaalsContact O-N 3.12Å; G791-F794 PolarHBondContact O-N 2.94Å; F794-L797 PolarHBondContact O-N 3.13Å; F794-L798 WeakPolarHBondContact O-CB 3.43Å; F794-L798 PolarHBondContact O-N 3.13Å; F794-F847 HydrophobicContact CB-CE1 3.87Å; F794-F847 HydrophobicContact CB-CZ 3.89Å; F794-F847 HydrophobicContact CD1-CE1 4.06Å; F794-F847 AromaticContact CD1-CZ 3.62Å; F794-F847 HydrophobicContact CD1-CZ 3.62Å; F794-F847 HydrophobicContact CE1-CZ 4.31Å; F794-F847 HydrophobicContact CG-CE1 4.28Å; F794-F847 AromaticContact CG-CZ 3.86Å; F794-F847 HydrophobicContact CG-CZ 3.86Å; F794-C851 VanDerWaalsContact CB-SG 3.52Å; F794-L868 HydrophobicContact CD2-CB 3.62Å; F794-L868 HydrophobicContact CD2-CD1 3.61Å; F794-L868 HydrophobicContact CD2-CG 4.29Å; F794-L868 HydrophobicContact CE2-CB 3.5Å; F794-L868 HydrophobicContact CE2-CD1 4.2Å; F794-L868 HydrophobicContact CG-CB 4.25Å; F794-L868 HydrophobicContact CG-CD1 4.34Å; F794-L868 HydrophobicContact CZ-CB 4.05Å; F794-A869 HydrophobicContact CZ-CB 4Å; F794-W872 HydrophobicContact CD1-CB 4.04Å; F794-W872 HydrophobicContact CD1-CD2 4.4Å; F794-W872 HydrophobicContact CD1-CG 4.13Å; F794-W872 HydrophobicContact CE1-CB 3.62Å; F794-W872 AromaticContact CE1-CG 3.86Å; F794-W872 HydrophobicContact CE1-CG 3.86Å |
| 795 | L | 96.5 | Very high | 87.2 | Confident | 40 Ų | 40 | 65 Ų | 65 | 21% | 0.209 | 33% | 0.334 | C | S | . | . | H | α-helix | trans | -63.5 | -43 | 174.8 | -77 | 167.7 | 0 | 0 | 0 | 112.2 | G791 W793 Q799 R848 C851 L855 | G791-L795 WeakPolarHBondContact O-CB 3.38Å; G791-L795 WeakPolarHBondContact O-CD1 3.35Å; G791-L795 WeakPolarHBondContact O-CG 3.34Å; G791-L795 PolarHBondContact O-N 2.76Å; W793-L795 PolarHBondContact O-N 3.02Å; L795-Q799 WeakPolarHBondContact O-CB 3.47Å; L795-Q799 PolarHBondContact O-N 3.48Å; L795-R848 HydrophobicContact CD2-CB 4.3Å; L795-R848 HydrophobicContact CD2-CG 3.29Å; L795-C851 HydrophobicContact CD1-CB 4.29Å; L795-C851 HydrophobicContact CD2-CB 3.87Å; L795-C851 HydrophobicContact CG-CB 3.69Å; L795-L855 HydrophobicContact CD1-CD1 3.88Å |
| 796 | K | 96.3 | Very high | 90 | Very high | 170 Ų | 170 | 65.3 Ų | 65.3 | 74% | 0.739 | 33% | 0.326 | S | S | * | . | H | α-helix | trans | -62.5 | -45.1 | 175.8 | -74.1 | -177.2 | 175.9 | -171.7 | 0 | 111.6 | H792 W793 Q799 A800 | H792-K796 WeakPolarHBondContact O-CG 3.39Å; H792-K796 PolarHBondContact O-N 2.89Å; W793-K796 PolarHBondContact O-N 2.88Å; K796-Q799 PolarHBondContact O-N 3.15Å; K796-A800 PolarHBondContact O-N 3.2Å; K796-A800 VanDerWaalsContact O-N 3.11Å |
| 797 | L | 96.1 | Very high | 92.1 | Very high | 50 Ų | 50 | 60 Ų | 60 | 26% | 0.262 | 30% | 0.3 | S | S | . | . | H | α-helix | trans | -66.2 | -42.6 | 179.5 | -173.6 | 62 | 0 | 0 | 0 | 112.1 | W793 F794 Q799 A800 E801 W872 | W793-L797 HydrophobicContact CH2-CD2 3.57Å; W793-L797 HydrophobicContact CZ2-CD2 4.22Å; W793-L797 HydrophobicContact CZ3-CD2 3.78Å; W793-L797 PolarHBondContact O-N 2.96Å; F794-L797 PolarHBondContact O-N 3.13Å; L797-Q799 VanDerWaalsContact C-N 3.28Å; L797-Q799 PolarHBondContact O-N 3.34Å; L797-A800 PolarHBondContact O-N 3.07Å; L797-E801 WeakPolarHBondContact O-CB 3.35Å; L797-E801 PolarHBondContact O-N 3.37Å; L797-E801 VanDerWaalsContact O-N 3.08Å; L797-W872 HydrophobicContact CD1-CZ2 4.37Å; L797-W872 HydrophobicContact CD2-CD2 4.19Å; L797-W872 VanDerWaalsContact CD2-CE2 3.49Å; L797-W872 HydrophobicContact CD2-CH2 4.09Å; L797-W872 HydrophobicContact CD2-CZ2 3.44Å; L797-W872 VanDerWaalsContact CD2-CZ2 3.44Å; L797-W872 HydrophobicContact CG-CH2 3.75Å; L797-W872 HydrophobicContact CG-CZ2 3.52Å; L797-W872 HydrophobicContact CG-CZ3 4.48Å |
| 798 | L | 97.2 | Very high | 94.2 | Very high | 0 Ų | 0 | 57 Ų | 57 | 0% | 0 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -61.5 | -34.8 | 174.3 | -178.7 | 68.7 | 0 | 0 | 0 | 112.8 | F794 R802 F844 F847 R848 W872 L875 | F794-L798 WeakPolarHBondContact O-CB 3.43Å; F794-L798 PolarHBondContact O-N 3.13Å; L798-R802 PolarHBondContact O-N 3.1Å; L798-F844 HydrophobicContact CD1-CB 3.79Å; L798-F844 HydrophobicContact CD1-CD1 4.26Å; L798-F844 HydrophobicContact CD1-CD2 3.32Å; L798-F844 HydrophobicContact CD1-CE2 3.84Å; L798-F844 HydrophobicContact CD1-CG 3.54Å; L798-F844 HydrophobicContact CD1-CZ 4.48Å; L798-F844 HydrophobicContact CG-CB 4.46Å; L798-F844 HydrophobicContact CG-CD2 4.08Å; L798-F847 HydrophobicContact CB-CD1 4.39Å; L798-F847 HydrophobicContact CD1-CD1 3.91Å; L798-F847 HydrophobicContact CD2-CD1 3.96Å; L798-F847 HydrophobicContact CG-CD1 4.29Å; L798-R848 HydrophobicContact CD2-CB 3.68Å; L798-R848 HydrophobicContact CD2-CG 4.04Å; L798-W872 HydrophobicContact CB-CZ3 4.26Å; L798-W872 HydrophobicContact CD1-CZ3 4.05Å; L798-L875 HydrophobicContact CD1-CD2 3.81Å |
| 799 | Q | 96.9 | Very high | 95.4 | Very high | 71 Ų | 71 | 53.4 Ų | 53.4 | 33% | 0.332 | 25% | 0.251 | S | S | . | . | H | α-helix | trans | -69.1 | -53.7 | 177.9 | -174.9 | 56.6 | 48.8 | 0 | 0 | 110.6 | L795 K796 L797 E801 R802 D803 | L795-Q799 WeakPolarHBondContact O-CB 3.47Å; L795-Q799 PolarHBondContact O-N 3.48Å; K796-Q799 PolarHBondContact O-N 3.15Å; L797-Q799 VanDerWaalsContact C-N 3.28Å; L797-Q799 PolarHBondContact O-N 3.34Å; Q799-E801 PolarHBondContact O-N 3.01Å; Q799-R802 WeakPolarHBondContact O-CA 3.4Å; Q799-R802 WeakPolarHBondContact O-CB 3.41Å; Q799-R802 PolarHBondContact O-N 3.41Å; Q799-R802 VanDerWaalsContact OE1-CZ 3.24Å; Q799-D803 PolarHBondContact NE2-OD1 3.3Å; Q799-D803 PolarHBondContact NE2-OD2 2.88Å; Q799-D803 VanDerWaalsContact O-CG 3.27Å; Q799-D803 PolarHBondContact O-N 2.83Å; Q799-D803 VanDerWaalsContact O-OD2 3.07Å |
| 800 | A | 96.6 | Very high | 96.2 | Very high | 39 Ų | 39 | 50.7 Ų | 50.7 | 32% | 0.322 | 25% | 0.245 | S | C | . | . | H | α-helix | trans | -56 | -38.5 | 177.6 | 0 | 0 | 0 | 0 | 0 | 112.8 | K796 L797 D803 R804 | K796-A800 PolarHBondContact O-N 3.2Å; K796-A800 VanDerWaalsContact O-N 3.11Å; L797-A800 PolarHBondContact O-N 3.07Å; A800-D803 PolarHBondContact O-N 3.42Å; A800-R804 WeakPolarHBondContact O-CB 3.45Å; A800-R804 PolarHBondContact O-N 3.28Å |
| 801 | E | 96.8 | Very high | 96.6 | Very high | 19 Ų | 19 | 49.8 Ų | 49.8 | 9% | 0.089 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -73.4 | -28.5 | 176.6 | -171.3 | 56.6 | -120.1 | 0 | 0 | 113.2 | L797 Q799 R804 M805 F844 W872 I879 | L797-E801 WeakPolarHBondContact O-CB 3.35Å; L797-E801 PolarHBondContact O-N 3.37Å; L797-E801 VanDerWaalsContact O-N 3.08Å; Q799-E801 PolarHBondContact O-N 3.01Å; E801-R804 VanDerWaalsContact CD-NH2 3.35Å; E801-R804 IonicContact OE1-CZ 3.22Å; E801-R804 IonicContact OE1-NE 2.89Å; E801-R804 PolarHBondContact OE1-NE 3.38Å; E801-R804 IonicContact OE1-NH2 3.92Å; E801-R804 PolarHBondContact OE1-NH2 2.76Å; E801-R804 IonicContact OE2-CZ 3.57Å; E801-R804 IonicContact OE2-NE 3.3Å; E801-R804 PolarHBondContact OE2-NE 2.87Å; E801-R804 IonicContact OE2-NH2 3.78Å; E801-R804 PolarHBondContact OE2-NH2 2.87Å; E801-M805 WeakPolarHBondContact O-CB 3.45Å; E801-M805 PolarHBondContact O-N 2.73Å; E801-F844 HydrophobicContact CB-CE2 4.25Å; E801-F844 HydrophobicContact CG-CE2 4.14Å; E801-F844 HydrophobicContact CG-CZ 3.93Å; E801-W872 HydrophobicContact CB-CH2 4.22Å; E801-W872 HydrophobicContact CG-CH2 4.4Å; E801-I879 HydrophobicContact CG-CD1 3.6Å; E801-I879 HydrophobicContact CG-CG1 4.19Å; E801-I879 HydrophobicContact CG-CG2 4.16Å; E801-I879 VanDerWaalsContact OE1-CG2 3.28Å; E801-I879 WeakPolarHBondContact OE1-CG2 3.36Å |
| 802 | R | 97.3 | Very high | 96.7 | Very high | 55 Ų | 55 | 49.8 Ų | 49.8 | 21% | 0.208 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -66.6 | -50.5 | 170.5 | -168.9 | -170.2 | -52.5 | 127.2 | 26.7 | 109.7 | L798 Q799 R804 M805 E806 M840 F844 | L798-R802 PolarHBondContact O-N 3.1Å; Q799-R802 WeakPolarHBondContact O-CA 3.4Å; Q799-R802 WeakPolarHBondContact O-CB 3.41Å; Q799-R802 PolarHBondContact O-N 3.41Å; Q799-R802 VanDerWaalsContact OE1-CZ 3.24Å; R802-R804 VanDerWaalsContact C-N 3.28Å; R802-R804 PolarHBondContact O-N 3.17Å; R802-M805 PolarHBondContact O-N 2.84Å; R802-M805 VanDerWaalsContact O-N 3.15Å; R802-E806 VanDerWaalsContact O-CB 3.28Å; R802-E806 WeakPolarHBondContact O-CB 3.44Å; R802-E806 PolarHBondContact O-N 3.15Å; R802-M840 HydrophobicContact CB-SD 4.48Å; R802-M840 HydrophobicContact CG-CG 4.27Å; R802-M840 HydrophobicContact CG-SD 3.58Å; R802-M840 VanDerWaalsContact CG-SD 3.58Å; R802-F844 HydrophobicContact CB-CD2 3.99Å; R802-F844 HydrophobicContact CB-CE2 4.1Å; R802-F844 HydrophobicContact CG-CD2 4.39Å |
| 803 | D | 97.6 | Very high | 96.7 | Very high | 84 Ų | 84 | 47.4 Ų | 47.4 | 45% | 0.449 | 23% | 0.229 | S | C | . | . | H | α-helix | trans | -62.6 | -38.6 | -174.6 | -58.7 | -34 | 0 | 0 | 0 | 110.9 | Q799 A800 G807 | Q799-D803 PolarHBondContact NE2-OD1 3.3Å; Q799-D803 PolarHBondContact NE2-OD2 2.88Å; Q799-D803 VanDerWaalsContact O-CG 3.27Å; Q799-D803 PolarHBondContact O-N 2.83Å; Q799-D803 VanDerWaalsContact O-OD2 3.07Å; A800-D803 PolarHBondContact O-N 3.42Å; D803-G807 PolarHBondContact O-N 3.16Å |
| 804 | R | 97.3 | Very high | 96.8 | Very high | 68 Ų | 68 | 48.4 Ų | 48.4 | 26% | 0.257 | 23% | 0.232 | S | C | . | . | H | α-helix | trans | -59.2 | -52.5 | 171.3 | -171.2 | 178.4 | 80.9 | 120.8 | -0.3 | 112.7 | A800 E801 R802 G807 W808 | A800-R804 WeakPolarHBondContact O-CB 3.45Å; A800-R804 PolarHBondContact O-N 3.28Å; E801-R804 VanDerWaalsContact CD-NH2 3.35Å; E801-R804 IonicContact OE1-CZ 3.22Å; E801-R804 IonicContact OE1-NE 2.89Å; E801-R804 PolarHBondContact OE1-NE 3.38Å; E801-R804 IonicContact OE1-NH2 3.92Å; E801-R804 PolarHBondContact OE1-NH2 2.76Å; E801-R804 IonicContact OE2-CZ 3.57Å; E801-R804 IonicContact OE2-NE 3.3Å; E801-R804 PolarHBondContact OE2-NE 2.87Å; E801-R804 IonicContact OE2-NH2 3.78Å; E801-R804 PolarHBondContact OE2-NH2 2.87Å; R802-R804 VanDerWaalsContact C-N 3.28Å; R802-R804 PolarHBondContact O-N 3.17Å; R804-G807 PolarHBondContact O-N 2.96Å; R804-W808 HydrophobicContact CG-CZ2 4.31Å; R804-W808 PolarHBondContact O-N 2.79Å; R804-W808 VanDerWaalsContact O-N 3.13Å |
| 805 | M | 97.4 | Very high | 96.6 | Very high | 0 Ų | 0 | 49 Ų | 49 | 0% | 0 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -75 | -27.9 | -176.1 | 178.8 | 162.7 | 39.2 | 0 | 0 | 112.9 | E801 R802 W808 C809 A836 L839 M840 F844 I879 I882 | E801-M805 WeakPolarHBondContact O-CB 3.45Å; E801-M805 PolarHBondContact O-N 2.73Å; R802-M805 PolarHBondContact O-N 2.84Å; R802-M805 VanDerWaalsContact O-N 3.15Å; M805-W808 HydrophobicContact CB-CE3 4.38Å; M805-W808 HydrophobicContact CG-CE3 4.48Å; M805-C809 PolarHBondContact O-N 3.02Å; M805-C809 VanDerWaalsContact O-N 3.07Å; M805-C809 PolarHBondContact O-SG 3.2Å; M805-A836 HydrophobicContact CG-CB 3.71Å; M805-A836 HydrophobicContact SD-CB 3.69Å; M805-L839 HydrophobicContact CE-CD2 4.29Å; M805-M840 HydrophobicContact CB-SD 4.18Å; M805-M840 HydrophobicContact CE-CG 3.72Å; M805-M840 HydrophobicContact CE-SD 4.14Å; M805-M840 HydrophobicContact CG-CE 4.26Å; M805-M840 HydrophobicContact CG-SD 4.12Å; M805-F844 HydrophobicContact CE-CE1 3.61Å; M805-F844 HydrophobicContact CE-CE2 3.91Å; M805-F844 HydrophobicContact CE-CZ 3.2Å; M805-I879 HydrophobicContact CE-CG1 4.33Å; M805-I882 HydrophobicContact SD-CD1 4.41Å; M805-I882 HydrophobicContact SD-CG2 3.84Å |
| 806 | E | 97.8 | Very high | 96.3 | Very high | 83 Ų | 83 | 49.6 Ų | 49.6 | 39% | 0.388 | 24% | 0.237 | S | C | . | . | H | α-helix | trans | -70.9 | -40.5 | 170.9 | -169.1 | 169.7 | 158.2 | 0 | 0 | 111.1 | R802 W808 C809 Q810 M840 | R802-E806 VanDerWaalsContact O-CB 3.28Å; R802-E806 WeakPolarHBondContact O-CB 3.44Å; R802-E806 PolarHBondContact O-N 3.15Å; E806-W808 VanDerWaalsContact C-N 3.33Å; E806-W808 PolarHBondContact O-N 2.67Å; E806-C809 WeakPolarHBondContact O-CB 3.42Å; E806-C809 PolarHBondContact O-N 3.28Å; E806-C809 VanDerWaalsContact O-N 3.13Å; E806-Q810 WeakPolarHBondContact O-CG 3.43Å; E806-Q810 PolarHBondContact O-N 3.25Å; E806-Q810 PolarHBondContact OE1-NE2 3.02Å; E806-M840 HydrophobicContact CB-CE 4.3Å; E806-M840 HydrophobicContact CB-SD 4.33Å |
| 807 | G | 97.3 | Very high | 96.1 | Very high | 27 Ų | 27 | 49.3 Ų | 49.3 | 28% | 0.278 | 23% | 0.231 | S | C | . | . | H | α-helix | trans | -56.8 | -43.4 | 170.5 | 0 | 0 | 0 | 0 | 0 | 112.9 | D803 R804 Q810 Q811 | D803-G807 PolarHBondContact O-N 3.16Å; R804-G807 PolarHBondContact O-N 2.96Å; G807-Q810 PolarHBondContact O-N 2.93Å; G807-Q811 WeakPolarHBondContact O-CB 3.44Å; G807-Q811 PolarHBondContact O-N 2.61Å |
| 808 | W | 97.3 | Very high | 95.8 | Very high | 34 Ų | 34 | 53 Ų | 53 | 13% | 0.129 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -62.5 | -41.1 | 172.7 | -67.5 | -19.1 | 0 | 0 | 0 | 113.4 | R804 M805 E806 Q811 M812 S883 F886 | R804-W808 HydrophobicContact CG-CZ2 4.31Å; R804-W808 PolarHBondContact O-N 2.79Å; R804-W808 VanDerWaalsContact O-N 3.13Å; M805-W808 HydrophobicContact CB-CE3 4.38Å; M805-W808 HydrophobicContact CG-CE3 4.48Å; E806-W808 VanDerWaalsContact C-N 3.33Å; E806-W808 PolarHBondContact O-N 2.67Å; W808-Q811 PolarHBondContact O-N 2.85Å; W808-M812 PolarHBondContact O-N 2.99Å; W808-S883 WeakPolarHBondContact CH2-OG 3.15Å; W808-F886 HydrophobicContact CB-CD1 3.85Å; W808-F886 HydrophobicContact CB-CD2 4.13Å; W808-F886 HydrophobicContact CB-CE1 3.78Å; W808-F886 HydrophobicContact CB-CE2 4.05Å; W808-F886 HydrophobicContact CB-CG 4.03Å; W808-F886 HydrophobicContact CB-CZ 3.88Å; W808-F886 HydrophobicContact CD2-CB 4.4Å; W808-F886 HydrophobicContact CD2-CD2 4.14Å; W808-F886 HydrophobicContact CD2-CG 4.26Å; W808-F886 HydrophobicContact CE3-CB 4.3Å; W808-F886 AromaticContact CE3-CD2 3.48Å; W808-F886 HydrophobicContact CE3-CD2 3.48Å; W808-F886 VanDerWaalsContact CE3-CD2 3.48Å; W808-F886 AromaticContact CE3-CE2 3.97Å; W808-F886 HydrophobicContact CE3-CE2 3.97Å; W808-F886 HydrophobicContact CE3-CG 4.02Å; W808-F886 HydrophobicContact CG-CD2 4.47Å; W808-F886 HydrophobicContact CG-CG 4.34Å; W808-F886 HydrophobicContact CZ3-CD2 4.11Å; W808-F886 WeakPolarHBondContact O-CE1 3.5Å |
| 809 | C | 97.8 | Very high | 95.1 | Very high | 3 Ų | 3 | 55.7 Ų | 55.7 | 2% | 0.02 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -59.8 | -53.4 | 173.8 | -71.9 | 0 | 0 | 0 | 0 | 111.1 | M805 E806 Q811 M812 E813 V833 A836 | M805-C809 PolarHBondContact O-N 3.02Å; M805-C809 VanDerWaalsContact O-N 3.07Å; M805-C809 PolarHBondContact O-SG 3.2Å; E806-C809 WeakPolarHBondContact O-CB 3.42Å; E806-C809 PolarHBondContact O-N 3.28Å; E806-C809 VanDerWaalsContact O-N 3.13Å; C809-Q811 VanDerWaalsContact C-N 3.28Å; C809-Q811 PolarHBondContact O-N 3.39Å; C809-M812 PolarHBondContact O-N 2.65Å; C809-E813 WeakPolarHBondContact O-CB 3.41Å; C809-E813 WeakPolarHBondContact O-CG 3.38Å; C809-E813 PolarHBondContact O-N 3.39Å; C809-V833 HydrophobicContact CB-CG1 4.14Å; C809-A836 VanDerWaalsContact SG-CB 3.52Å |
| 810 | Q | 97.3 | Very high | 94.7 | Very high | 95 Ų | 95 | 60.7 Ų | 60.7 | 44% | 0.444 | 29% | 0.29 | S | S | . | . | H | α-helix | trans | -59.9 | -38 | -179.7 | -68 | -179.4 | 20.9 | 0 | 0 | 111.9 | E806 G807 R814 | E806-Q810 WeakPolarHBondContact O-CG 3.43Å; E806-Q810 PolarHBondContact O-N 3.25Å; E806-Q810 PolarHBondContact OE1-NE2 3.02Å; G807-Q810 PolarHBondContact O-N 2.93Å; Q810-R814 VanDerWaalsContact O-CB 3.29Å; Q810-R814 WeakPolarHBondContact O-CB 3.28Å; Q810-R814 PolarHBondContact O-N 3.27Å |
| 811 | Q | 95.9 | Very high | 94.3 | Very high | 23 Ų | 23 | 59.7 Ų | 59.7 | 11% | 0.107 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -63.4 | -53.1 | 174.7 | -173.2 | 65.9 | 37.4 | 0 | 0 | 111.4 | G807 W808 C809 E813 R814 E815 | G807-Q811 WeakPolarHBondContact O-CB 3.44Å; G807-Q811 PolarHBondContact O-N 2.61Å; W808-Q811 PolarHBondContact O-N 2.85Å; C809-Q811 VanDerWaalsContact C-N 3.28Å; C809-Q811 PolarHBondContact O-N 3.39Å; Q811-E813 PolarHBondContact O-N 2.9Å; Q811-R814 WeakPolarHBondContact O-CA 3.35Å; Q811-R814 VanDerWaalsContact O-CB 3.3Å; Q811-R814 WeakPolarHBondContact O-CB 3.46Å; Q811-R814 PolarHBondContact O-N 3.11Å; Q811-R814 VanDerWaalsContact O-N 3.08Å; Q811-E815 PolarHBondContact NE2-OE1 2.71Å; Q811-E815 WeakPolarHBondContact O-CG 3.42Å; Q811-E815 PolarHBondContact O-N 3.48Å |
| 812 | M | 95.7 | Very high | 94 | Very high | 0 Ų | 0 | 62 Ų | 62 | 0% | 0 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -68.9 | -33.8 | -177.4 | -67.2 | -63 | 102 | 0 | 0 | 113 | W808 C809 R814 E815 E816 I829 V833 F886 L889 W897 | W808-M812 PolarHBondContact O-N 2.99Å; C809-M812 PolarHBondContact O-N 2.65Å; M812-R814 VanDerWaalsContact C-N 3.28Å; M812-R814 PolarHBondContact O-N 3.3Å; M812-E815 HydrophobicContact CE-CG 3.86Å; M812-E815 PolarHBondContact O-N 3.4Å; M812-E816 PolarHBondContact O-N 3.5Å; M812-I829 HydrophobicContact CB-CG2 4.02Å; M812-V833 HydrophobicContact CB-CG2 3.93Å; M812-F886 HydrophobicContact CB-CE1 4.23Å; M812-F886 HydrophobicContact CG-CD1 3.66Å; M812-F886 HydrophobicContact CG-CE1 3.65Å; M812-L889 HydrophobicContact CG-CD1 4.11Å; M812-L889 HydrophobicContact SD-CB 3.68Å; M812-L889 HydrophobicContact SD-CD1 4.08Å; M812-L889 HydrophobicContact SD-CG 4.42Å; M812-W897 HydrophobicContact SD-CH2 4.37Å |
| 813 | E | 95.5 | Very high | 93.7 | Very high | 64 Ų | 64 | 65.1 Ų | 65.1 | 30% | 0.299 | 31% | 0.313 | S | S | . | . | H | α-helix | trans | -66.2 | -29.7 | 169.9 | -72.8 | -178.2 | 178.3 | 0 | 0 | 112.5 | C809 Q811 R817 V833 Q837 | C809-E813 WeakPolarHBondContact O-CB 3.41Å; C809-E813 WeakPolarHBondContact O-CG 3.38Å; C809-E813 PolarHBondContact O-N 3.39Å; Q811-E813 PolarHBondContact O-N 2.9Å; E813-R817 VanDerWaalsContact O-CZ 3.31Å; E813-R817 PolarHBondContact O-N 3.17Å; E813-R817 PolarHBondContact O-NE 3.23Å; E813-R817 VanDerWaalsContact O-NE 3.16Å; E813-R817 PolarHBondContact O-NH2 2.88Å; E813-V833 HydrophobicContact CG-CG1 3.94Å; E813-V833 HydrophobicContact CG-CG2 4.45Å; E813-V833 WeakPolarHBondContact OE1-CG1 3.36Å; E813-Q837 PolarHBondContact OE1-NE2 3.42Å |
| 814 | R | 95.1 | Very high | 93.5 | Very high | 90 Ų | 90 | 66.2 Ų | 66.2 | 34% | 0.34 | 32% | 0.319 | S | S | . | . | H | α-helix | trans | -68.7 | -45.8 | 171 | -165.6 | -172.4 | -54.8 | 117.6 | 0.8 | 110.3 | Q810 Q811 M812 E816 R817 E818 | Q810-R814 VanDerWaalsContact O-CB 3.29Å; Q810-R814 WeakPolarHBondContact O-CB 3.28Å; Q810-R814 PolarHBondContact O-N 3.27Å; Q811-R814 WeakPolarHBondContact O-CA 3.35Å; Q811-R814 VanDerWaalsContact O-CB 3.3Å; Q811-R814 WeakPolarHBondContact O-CB 3.46Å; Q811-R814 PolarHBondContact O-N 3.11Å; Q811-R814 VanDerWaalsContact O-N 3.08Å; M812-R814 VanDerWaalsContact C-N 3.28Å; M812-R814 PolarHBondContact O-N 3.3Å; R814-E816 VanDerWaalsContact C-N 3.33Å; R814-E816 PolarHBondContact O-N 2.94Å; R814-R817 PolarHBondContact O-N 3.08Å; R814-R817 VanDerWaalsContact O-N 3.09Å; R814-E818 VanDerWaalsContact CD-OE1 3.28Å; R814-E818 WeakPolarHBondContact CD-OE1 3.41Å; R814-E818 HydrophobicContact CG-CG 4.27Å; R814-E818 WeakPolarHBondContact CG-OE1 3.4Å; R814-E818 WeakPolarHBondContact O-CB 3.43Å; R814-E818 PolarHBondContact O-N 3.21Å |
| 815 | E | 92.3 | Very high | 93.3 | Very high | 13 Ų | 13 | 63.1 Ų | 63.1 | 6% | 0.061 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -58.7 | -41.1 | 175.4 | -56.8 | -58.3 | 152.5 | 0 | 0 | 112.6 | Q811 M812 R817 N819 K893 W897 | Q811-E815 PolarHBondContact NE2-OE1 2.71Å; Q811-E815 WeakPolarHBondContact O-CG 3.42Å; Q811-E815 PolarHBondContact O-N 3.48Å; M812-E815 HydrophobicContact CE-CG 3.86Å; M812-E815 PolarHBondContact O-N 3.4Å; E815-R817 VanDerWaalsContact C-N 3.32Å; E815-R817 PolarHBondContact O-N 3.23Å; E815-N819 WeakPolarHBondContact CA-ND2 3.31Å; E815-N819 VanDerWaalsContact O-CB 3.31Å; E815-N819 WeakPolarHBondContact O-CB 3.35Å; E815-N819 PolarHBondContact O-N 3.03Å; E815-N819 PolarHBondContact O-ND2 2.99Å; E815-N819 PolarHBondContact OE2-ND2 2.8Å; E815-K893 HydrophobicContact CG-CD 4.42Å; E815-K893 VanDerWaalsContact OE1-CE 3.3Å; E815-K893 WeakPolarHBondContact OE1-CE 3.47Å; E815-K893 IonicContact OE1-NZ 2.66Å; E815-K893 PolarHBondContact OE1-NZ 3.18Å; E815-K893 IonicContact OE2-NZ 3.85Å; E815-W897 HydrophobicContact CB-CH2 3.93Å; E815-W897 HydrophobicContact CB-CZ2 3.63Å; E815-W897 HydrophobicContact CG-CH2 3.92Å; E815-W897 HydrophobicContact CG-CZ2 3.63Å |
| 816 | E | 91.7 | Very high | 93.1 | Very high | 53 Ų | 53 | 64 Ų | 64 | 25% | 0.248 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -64.4 | -31.2 | 175.6 | 163 | 159.9 | -157.8 | 0 | 0 | 113 | M812 R814 L826 I829 R830 | M812-E816 PolarHBondContact O-N 3.5Å; R814-E816 VanDerWaalsContact C-N 3.33Å; R814-E816 PolarHBondContact O-N 2.94Å; E816-L826 HydrophobicContact CB-CD2 3.98Å; E816-L826 HydrophobicContact CG-CD2 3.64Å; E816-I829 HydrophobicContact CB-CD1 4.39Å; E816-I829 HydrophobicContact CB-CG2 4.25Å; E816-R830 IonicContact OE1-CZ 3.92Å; E816-R830 IonicContact OE1-NE 2.73Å; E816-R830 PolarHBondContact OE1-NE 3.45Å; E816-R830 IonicContact OE1-NH2 3.87Å; E816-R830 PolarHBondContact OE1-NH2 3.17Å; E816-R830 IonicContact OE2-NE 2.76Å |
| 817 | R | 90.4 | Very high | 93 | Very high | 165 Ų | 165 | 61.4 Ų | 61.4 | 62% | 0.623 | 31% | 0.307 | S | S | * | . | H | α-helix | trans | -84.2 | -32.6 | 177.6 | -79.3 | -179.8 | -80.5 | 100.4 | -3.3 | 113.9 | E813 R814 E815 | E813-R817 VanDerWaalsContact O-CZ 3.31Å; E813-R817 PolarHBondContact O-N 3.17Å; E813-R817 PolarHBondContact O-NE 3.23Å; E813-R817 VanDerWaalsContact O-NE 3.16Å; E813-R817 PolarHBondContact O-NH2 2.88Å; R814-R817 PolarHBondContact O-N 3.08Å; R814-R817 VanDerWaalsContact O-N 3.09Å; E815-R817 VanDerWaalsContact C-N 3.32Å; E815-R817 PolarHBondContact O-N 3.23Å |
| 818 | E | 89.7 | Confident | 92.9 | Very high | 128 Ų | 128 | 63.3 Ų | 63.3 | 60% | 0.598 | 31% | 0.308 | S | S | * | . | H | α-helix | trans | -94.9 | -28.2 | -173.2 | -71.2 | 170.7 | -168 | 0 | 0 | 113.1 | R814 | R814-E818 VanDerWaalsContact CD-OE1 3.28Å; R814-E818 WeakPolarHBondContact CD-OE1 3.41Å; R814-E818 HydrophobicContact CG-CG 4.27Å; R814-E818 WeakPolarHBondContact CG-OE1 3.4Å; R814-E818 WeakPolarHBondContact O-CB 3.43Å; R814-E818 PolarHBondContact O-N 3.21Å |
| 819 | N | 84.1 | Confident | 92.9 | Very high | 56 Ų | 56 | 61.7 Ų | 61.7 | 30% | 0.299 | 30% | 0.302 | S | S | . | . | S | Bend | trans | -105.6 | 139.1 | 178 | -55.5 | -95.8 | 0 | 0 | 0 | 111.2 | E815 L821 | E815-N819 WeakPolarHBondContact CA-ND2 3.31Å; E815-N819 VanDerWaalsContact O-CB 3.31Å; E815-N819 WeakPolarHBondContact O-CB 3.35Å; E815-N819 PolarHBondContact O-N 3.03Å; E815-N819 PolarHBondContact O-ND2 2.99Å; E815-N819 PolarHBondContact OE2-ND2 2.8Å; N819-L821 VanDerWaalsContact C-N 3.3Å; N819-L821 HydrophobicContact CB-CD1 4.45Å; N819-L821 HydrophobicContact CB-CD2 3.45Å; N819-L821 VanDerWaalsContact CB-CD2 3.45Å; N819-L821 HydrophobicContact CB-CG 3.72Å; N819-L821 PolarHBondContact O-N 2.94Å |
| 820 | N | 87.4 | Confident | 92.8 | Very high | 175 Ų | 175 | 67.1 Ų | 67.1 | 94% | 0.936 | 32% | 0.322 | S | S | * | . | | | trans | -80.7 | 79.2 | 169.2 | -75.9 | -99.7 | 0 | 0 | 0 | 109.6 | | |
| 821 | L | 89.3 | Confident | 92.8 | Very high | 18 Ų | 18 | 66.8 Ų | 66.8 | 9% | 0.094 | 33% | 0.327 | C | S | . | . | | | trans | -79.8 | 152.9 | -173.6 | -58.7 | 179.7 | 0 | 0 | 0 | 113.2 | N819 I825 L826 I829 W897 | N819-L821 VanDerWaalsContact C-N 3.3Å; N819-L821 HydrophobicContact CB-CD1 4.45Å; N819-L821 HydrophobicContact CB-CD2 3.45Å; N819-L821 VanDerWaalsContact CB-CD2 3.45Å; N819-L821 HydrophobicContact CB-CG 3.72Å; N819-L821 PolarHBondContact O-N 2.94Å; L821-I825 HydrophobicContact CD1-CG2 4.12Å; L821-L826 HydrophobicContact CB-CD2 3.8Å; L821-L826 HydrophobicContact CB-CG 3.93Å; L821-L826 HydrophobicContact CD1-CD2 4.13Å; L821-L826 HydrophobicContact CG-CD2 4.39Å; L821-I829 HydrophobicContact CD1-CD1 3.4Å; L821-I829 VanDerWaalsContact CD1-CD1 3.4Å; L821-W897 HydrophobicContact CD1-CD2 4.42Å; L821-W897 HydrophobicContact CD1-CE3 4.47Å; L821-W897 HydrophobicContact CD1-CZ2 4.5Å; L821-W897 HydrophobicContact CD2-CB 3.79Å; L821-W897 VanDerWaalsContact CD2-CD1 3.44Å; L821-W897 HydrophobicContact CD2-CD2 3.47Å; L821-W897 VanDerWaalsContact CD2-CD2 3.47Å; L821-W897 HydrophobicContact CD2-CE3 4.15Å; L821-W897 HydrophobicContact CD2-CG 3.29Å |
| 822 | P | 89.5 | Confident | 92.9 | Very high | 69 Ų | 69 | 65.7 Ų | 65.7 | 45% | 0.448 | 32% | 0.322 | S | S | . | . | | | trans | -60.9 | 145.1 | 168.5 | -20.6 | 32.5 | 0 | 0 | 0 | 112.1 | D824 I825 L826 | P822-D824 PolarHBondContact O-N 3.05Å; P822-D824 VanDerWaalsContact O-N 3.17Å; P822-I825 HydrophobicContact CG-CD1 4.33Å; P822-I825 WeakPolarHBondContact O-CA 3.16Å; P822-I825 PolarHBondContact O-N 2.85Å; P822-L826 PolarHBondContact O-N 3.05Å |
| 823 | E | 91.9 | Very high | 93 | Very high | 119 Ų | 119 | 66 Ų | 66 | 56% | 0.556 | 32% | 0.324 | S | S | * | . | H | α-helix | trans | -58.3 | -32.5 | -178.3 | -169 | 61.5 | -147 | 0 | 0 | 112.9 | I825 L826 G827 R830 | E823-I825 PolarHBondContact O-N 2.74Å; E823-L826 PolarHBondContact O-N 2.85Å; E823-G827 PolarHBondContact O-N 3.19Å; E823-R830 IonicContact OE1-CZ 2.69Å; E823-R830 IonicContact OE1-NH1 3.16Å; E823-R830 PolarHBondContact OE1-NH1 2.84Å; E823-R830 IonicContact OE2-NH1 3.89Å |
| 824 | D | 92.1 | Very high | 93.1 | Very high | 107 Ų | 107 | 64.5 Ų | 64.5 | 57% | 0.572 | 33% | 0.325 | S | S | * | . | H | α-helix | trans | -58.5 | -35.9 | 173 | -66.3 | -2.4 | 0 | 0 | 0 | 112.7 | P822 K828 | P822-D824 PolarHBondContact O-N 3.05Å; P822-D824 VanDerWaalsContact O-N 3.17Å; D824-K828 WeakPolarHBondContact O-CG 3.45Å; D824-K828 PolarHBondContact O-N 3Å |
| 825 | I | 93.2 | Very high | 93.2 | Very high | 3 Ų | 3 | 61.5 Ų | 61.5 | 2% | 0.015 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -84.1 | -39.4 | -179.2 | -62.9 | -173.7 | 0 | 0 | 0 | 110.1 | L821 P822 E823 G827 K828 I829 W897 | L821-I825 HydrophobicContact CD1-CG2 4.12Å; P822-I825 HydrophobicContact CG-CD1 4.33Å; P822-I825 WeakPolarHBondContact O-CA 3.16Å; P822-I825 PolarHBondContact O-N 2.85Å; E823-I825 PolarHBondContact O-N 2.74Å; I825-G827 VanDerWaalsContact C-N 3.27Å; I825-G827 PolarHBondContact O-N 3.06Å; I825-K828 PolarHBondContact O-N 3.44Å; I825-K828 VanDerWaalsContact O-N 3.1Å; I825-I829 HydrophobicContact CG2-CD1 4.18Å; I825-I829 WeakPolarHBondContact O-CG1 3.37Å; I825-I829 PolarHBondContact O-N 2.92Å; I825-W897 HydrophobicContact CD1-CB 4.16Å; I825-W897 HydrophobicContact CD1-CE3 4.39Å; I825-W897 WeakPolarHBondContact CD1-O 3.49Å; I825-W897 HydrophobicContact CG2-CE3 3.68Å; I825-W897 HydrophobicContact CG2-CZ3 3.9Å |
| 826 | L | 93.9 | Very high | 93.5 | Very high | 19 Ų | 19 | 60.9 Ų | 60.9 | 10% | 0.099 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -57.7 | -42.2 | 169.3 | -64.2 | 175.2 | 0 | 0 | 0 | 111.1 | E816 L821 P822 E823 K828 I829 R830 | E816-L826 HydrophobicContact CB-CD2 3.98Å; E816-L826 HydrophobicContact CG-CD2 3.64Å; L821-L826 HydrophobicContact CB-CD2 3.8Å; L821-L826 HydrophobicContact CB-CG 3.93Å; L821-L826 HydrophobicContact CD1-CD2 4.13Å; L821-L826 HydrophobicContact CG-CD2 4.39Å; P822-L826 PolarHBondContact O-N 3.05Å; E823-L826 PolarHBondContact O-N 2.85Å; L826-K828 PolarHBondContact O-N 3.32Å; L826-I829 PolarHBondContact O-N 2.66Å; L826-R830 WeakPolarHBondContact O-CB 3.48Å; L826-R830 WeakPolarHBondContact O-CG 3.41Å; L826-R830 PolarHBondContact O-N 3.21Å |
| 827 | G | 95.3 | Very high | 93.8 | Very high | 28 Ų | 28 | 62.2 Ų | 62.2 | 29% | 0.289 | 32% | 0.321 | S | S | . | . | H | α-helix | trans | -59.4 | -41.3 | 172.8 | 0 | 0 | 0 | 0 | 0 | 112.9 | E823 I825 T831 | E823-G827 PolarHBondContact O-N 3.19Å; I825-G827 VanDerWaalsContact C-N 3.27Å; I825-G827 PolarHBondContact O-N 3.06Å; G827-T831 WeakPolarHBondContact O-CB 3.41Å; G827-T831 PolarHBondContact O-N 2.89Å; G827-T831 PolarHBondContact O-OG1 3.28Å |
| 828 | K | 95.5 | Very high | 94.2 | Very high | 68 Ų | 68 | 58.8 Ų | 58.8 | 30% | 0.296 | 32% | 0.315 | S | S | . | . | H | α-helix | trans | -67.7 | -44.1 | 173.9 | -72.6 | 178.6 | -174.8 | -169.3 | 0 | 112.6 | D824 I825 L826 T831 A832 E888 L889 L892 | D824-K828 WeakPolarHBondContact O-CG 3.45Å; D824-K828 PolarHBondContact O-N 3Å; I825-K828 PolarHBondContact O-N 3.44Å; I825-K828 VanDerWaalsContact O-N 3.1Å; L826-K828 PolarHBondContact O-N 3.32Å; K828-T831 PolarHBondContact O-N 2.87Å; K828-A832 WeakPolarHBondContact O-CB 3.47Å; K828-A832 PolarHBondContact O-N 2.76Å; K828-E888 WeakPolarHBondContact CE-OE1 3.38Å; K828-E888 IonicContact NZ-OE1 2.85Å; K828-E888 PolarHBondContact NZ-OE1 2.8Å; K828-L889 HydrophobicContact CB-CD2 3.78Å; K828-L892 HydrophobicContact CD-CD1 4.01Å |
| 829 | I | 96.4 | Very high | 94.6 | Very high | 0 Ų | 0 | 53.6 Ų | 53.6 | 0% | 0 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -57.1 | -58.3 | 175.6 | -72.3 | 170.9 | 0 | 0 | 0 | 109.9 | M812 E816 L821 I825 L826 T831 A832 V833 L889 W897 | M812-I829 HydrophobicContact CB-CG2 4.02Å; E816-I829 HydrophobicContact CB-CD1 4.39Å; E816-I829 HydrophobicContact CB-CG2 4.25Å; L821-I829 HydrophobicContact CD1-CD1 3.4Å; L821-I829 VanDerWaalsContact CD1-CD1 3.4Å; I825-I829 HydrophobicContact CG2-CD1 4.18Å; I825-I829 WeakPolarHBondContact O-CG1 3.37Å; I825-I829 PolarHBondContact O-N 2.92Å; L826-I829 PolarHBondContact O-N 2.66Å; I829-T831 PolarHBondContact O-N 2.74Å; I829-A832 PolarHBondContact O-N 2.77Å; I829-V833 HydrophobicContact CG2-CG2 4.06Å; I829-V833 WeakPolarHBondContact O-CB 3.21Å; I829-V833 VanDerWaalsContact O-CG2 3.31Å; I829-V833 WeakPolarHBondContact O-CG2 3.37Å; I829-V833 PolarHBondContact O-N 3.4Å; I829-L889 HydrophobicContact CG1-CD1 4.04Å; I829-L889 HydrophobicContact CG1-CD2 3.65Å; I829-L889 HydrophobicContact CG1-CG 4.47Å; I829-W897 HydrophobicContact CD1-CH2 4.48Å; I829-W897 HydrophobicContact CD1-CZ3 4.48Å |
| 830 | R | 96.4 | Very high | 95.2 | Very high | 116 Ų | 116 | 52 Ų | 52 | 44% | 0.438 | 28% | 0.282 | S | S | . | . | H | α-helix | trans | -57.7 | -34 | 178.7 | -64.8 | 167.4 | -169.5 | 154.4 | 5 | 112.5 | E816 E823 L826 G834 | E816-R830 IonicContact OE1-CZ 3.92Å; E816-R830 IonicContact OE1-NE 2.73Å; E816-R830 PolarHBondContact OE1-NE 3.45Å; E816-R830 IonicContact OE1-NH2 3.87Å; E816-R830 PolarHBondContact OE1-NH2 3.17Å; E816-R830 IonicContact OE2-NE 2.76Å; E823-R830 IonicContact OE1-CZ 2.69Å; E823-R830 IonicContact OE1-NH1 3.16Å; E823-R830 PolarHBondContact OE1-NH1 2.84Å; E823-R830 IonicContact OE2-NH1 3.89Å; L826-R830 WeakPolarHBondContact O-CB 3.48Å; L826-R830 WeakPolarHBondContact O-CG 3.41Å; L826-R830 PolarHBondContact O-N 3.21Å; R830-G834 WeakPolarHBondContact O-CA 3.27Å; R830-G834 PolarHBondContact O-N 3.15Å |
| 831 | T | 97.6 | Very high | 95.6 | Very high | 88 Ų | 88 | 47.1 Ų | 47.1 | 54% | 0.54 | 27% | 0.266 | S | S | . | . | H | α-helix | trans | -74.6 | -34.1 | 176.3 | -61.9 | 0 | 0 | 0 | 0 | 113.4 | G827 K828 I829 S835 | G827-T831 WeakPolarHBondContact O-CB 3.41Å; G827-T831 PolarHBondContact O-N 2.89Å; G827-T831 PolarHBondContact O-OG1 3.28Å; K828-T831 PolarHBondContact O-N 2.87Å; I829-T831 PolarHBondContact O-N 2.74Å; T831-S835 VanDerWaalsContact O-CB 3.29Å; T831-S835 WeakPolarHBondContact O-CB 3.39Å; T831-S835 PolarHBondContact O-N 3.45Å; T831-S835 PolarHBondContact O-OG 2.84Å |
| 832 | A | 97.8 | Very high | 96 | Very high | 1 Ų | 1 | 51 Ų | 51 | 1% | 0.008 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -72.5 | -60.6 | 174.4 | 0 | 0 | 0 | 0 | 0 | 110.1 | K828 I829 G834 S835 A836 K885 F886 L889 | K828-A832 WeakPolarHBondContact O-CB 3.47Å; K828-A832 PolarHBondContact O-N 2.76Å; I829-A832 PolarHBondContact O-N 2.77Å; A832-G834 PolarHBondContact O-N 3.13Å; A832-S835 PolarHBondContact O-N 2.78Å; A832-S835 PolarHBondContact O-OG 3.04Å; A832-A836 PolarHBondContact O-N 2.84Å; A832-K885 HydrophobicContact CB-CB 3.85Å; A832-K885 HydrophobicContact CB-CD 4.23Å; A832-F886 HydrophobicContact CB-CE1 4.31Å; A832-F886 HydrophobicContact CB-CZ 4.36Å; A832-L889 HydrophobicContact CB-CD1 3.59Å |
| 833 | V | 98 | Very high | 96.3 | Very high | 6 Ų | 6 | 52.5 Ų | 52.5 | 4% | 0.036 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -54.4 | -51.3 | 179.3 | 175.1 | 0 | 0 | 0 | 0 | 111.3 | C809 M812 E813 I829 S835 A836 Q837 F886 | C809-V833 HydrophobicContact CB-CG1 4.14Å; M812-V833 HydrophobicContact CB-CG2 3.93Å; E813-V833 HydrophobicContact CG-CG1 3.94Å; E813-V833 HydrophobicContact CG-CG2 4.45Å; E813-V833 WeakPolarHBondContact OE1-CG1 3.36Å; I829-V833 HydrophobicContact CG2-CG2 4.06Å; I829-V833 WeakPolarHBondContact O-CB 3.21Å; I829-V833 VanDerWaalsContact O-CG2 3.31Å; I829-V833 WeakPolarHBondContact O-CG2 3.37Å; I829-V833 PolarHBondContact O-N 3.4Å; V833-S835 VanDerWaalsContact C-N 3.27Å; V833-S835 PolarHBondContact O-N 3.21Å; V833-A836 WeakPolarHBondContact O-CB 3.33Å; V833-A836 PolarHBondContact O-N 3.31Å; V833-A836 VanDerWaalsContact O-N 3.1Å; V833-Q837 HydrophobicContact CG1-CG 4.31Å; V833-Q837 WeakPolarHBondContact O-CB 3.42Å; V833-Q837 WeakPolarHBondContact O-CG 3.27Å; V833-Q837 PolarHBondContact O-N 2.78Å; V833-F886 HydrophobicContact CG2-CE1 4.16Å; V833-F886 HydrophobicContact CG2-CZ 4.32Å |
| 834 | G | 97.8 | Very high | 96.6 | Very high | 32 Ų | 32 | 46.9 Ų | 46.9 | 33% | 0.33 | 26% | 0.257 | S | S | . | . | H | α-helix | trans | -62.3 | -32.5 | 178.5 | 0 | 0 | 0 | 0 | 0 | 113.2 | R830 A832 L838 | R830-G834 WeakPolarHBondContact O-CA 3.27Å; R830-G834 PolarHBondContact O-N 3.15Å; A832-G834 PolarHBondContact O-N 3.13Å; G834-L838 WeakPolarHBondContact O-CB 3.19Å; G834-L838 PolarHBondContact O-N 3.32Å |
| 835 | S | 97.8 | Very high | 96.8 | Very high | 27 Ų | 27 | 47 Ų | 47 | 19% | 0.189 | 25% | 0.25 | C | C | . | . | H | α-helix | trans | -75.2 | -33.2 | 174.2 | 71.6 | 0 | 0 | 0 | 0 | 113.4 | T831 A832 V833 L839 I882 K885 | T831-S835 VanDerWaalsContact O-CB 3.29Å; T831-S835 WeakPolarHBondContact O-CB 3.39Å; T831-S835 PolarHBondContact O-N 3.45Å; T831-S835 PolarHBondContact O-OG 2.84Å; A832-S835 PolarHBondContact O-N 2.78Å; A832-S835 PolarHBondContact O-OG 3.04Å; V833-S835 VanDerWaalsContact C-N 3.27Å; V833-S835 PolarHBondContact O-N 3.21Å; S835-L839 WeakPolarHBondContact O-CB 3.49Å; S835-L839 PolarHBondContact O-N 3.38Å; S835-I882 WeakPolarHBondContact O-CD1 3.33Å; S835-K885 VanDerWaalsContact CB-NZ 3.35Å; S835-K885 PolarHBondContact OG-NZ 2.96Å |
| 836 | A | 98.1 | Very high | 96.9 | Very high | 0 Ų | 0 | 50.8 Ų | 50.8 | 0% | 0 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -68.3 | -51.4 | 175.2 | 0 | 0 | 0 | 0 | 0 | 111.3 | M805 C809 A832 V833 L838 L839 M840 I882 F886 | M805-A836 HydrophobicContact CG-CB 3.71Å; M805-A836 HydrophobicContact SD-CB 3.69Å; C809-A836 VanDerWaalsContact SG-CB 3.52Å; A832-A836 PolarHBondContact O-N 2.84Å; V833-A836 WeakPolarHBondContact O-CB 3.33Å; V833-A836 PolarHBondContact O-N 3.31Å; V833-A836 VanDerWaalsContact O-N 3.1Å; A836-L838 VanDerWaalsContact C-N 3.3Å; A836-L838 PolarHBondContact O-N 3.38Å; A836-L839 PolarHBondContact O-N 2.93Å; A836-L839 VanDerWaalsContact O-N 3.12Å; A836-M840 WeakPolarHBondContact O-CG 3.36Å; A836-M840 PolarHBondContact O-N 2.81Å; A836-I882 HydrophobicContact CB-CG2 3.87Å; A836-F886 HydrophobicContact CB-CE2 3.9Å; A836-F886 HydrophobicContact CB-CZ 4.12Å |
| 837 | Q | 97.8 | Very high | 97.1 | Very high | 82 Ų | 82 | 50.2 Ų | 50.2 | 38% | 0.383 | 26% | 0.264 | S | S | . | . | H | α-helix | trans | -57.4 | -41.4 | 174.1 | -71.5 | 170.9 | -10.6 | 0 | 0 | 111.6 | E813 V833 M840 A841 | E813-Q837 PolarHBondContact OE1-NE2 3.42Å; V833-Q837 HydrophobicContact CG1-CG 4.31Å; V833-Q837 WeakPolarHBondContact O-CB 3.42Å; V833-Q837 WeakPolarHBondContact O-CG 3.27Å; V833-Q837 PolarHBondContact O-N 2.78Å; Q837-M840 HydrophobicContact CG-CE 4.49Å; Q837-M840 PolarHBondContact O-N 3.12Å; Q837-A841 WeakPolarHBondContact O-CB 3.46Å; Q837-A841 PolarHBondContact O-N 3.2Å |
| 838 | L | 97.9 | Very high | 97.2 | Very high | 93 Ų | 93 | 51.7 Ų | 51.7 | 49% | 0.487 | 26% | 0.261 | S | S | . | . | H | α-helix | trans | -65.5 | -40.6 | 175.2 | -171.4 | 68.1 | 0 | 0 | 0 | 112.5 | G834 A836 Q842 | G834-L838 WeakPolarHBondContact O-CB 3.19Å; G834-L838 PolarHBondContact O-N 3.32Å; A836-L838 VanDerWaalsContact C-N 3.3Å; A836-L838 PolarHBondContact O-N 3.38Å; L838-Q842 HydrophobicContact CD1-CG 4.07Å; L838-Q842 WeakPolarHBondContact O-CB 3.37Å; L838-Q842 PolarHBondContact O-N 2.91Å |
| 839 | L | 97.8 | Very high | 97.2 | Very high | 19 Ų | 19 | 52 Ų | 52 | 10% | 0.099 | 26% | 0.263 | C | S | . | . | I | π-helix | trans | -65 | -41.4 | 176.7 | -167.1 | 71.5 | 0 | 0 | 0 | 111.1 | M805 S835 A836 K843 F844 L875 I879 I882 | M805-L839 HydrophobicContact CE-CD2 4.29Å; S835-L839 WeakPolarHBondContact O-CB 3.49Å; S835-L839 PolarHBondContact O-N 3.38Å; A836-L839 PolarHBondContact O-N 2.93Å; A836-L839 VanDerWaalsContact O-N 3.12Å; L839-K843 HydrophobicContact CD1-CB 3.71Å; L839-K843 HydrophobicContact CD1-CG 3.81Å; L839-K843 HydrophobicContact CG-CB 4.26Å; L839-K843 WeakPolarHBondContact O-CA 3.42Å; L839-K843 WeakPolarHBondContact O-CB 3.24Å; L839-K843 PolarHBondContact O-N 3.01Å; L839-F844 HydrophobicContact CD2-CE1 3.86Å; L839-F844 HydrophobicContact CG-CD1 4.18Å; L839-F844 HydrophobicContact CG-CE1 3.94Å; L839-F844 WeakPolarHBondContact O-CD1 3.05Å; L839-F844 PolarHBondContact O-N 2.91Å; L839-L875 HydrophobicContact CD1-CD1 4.17Å; L839-L875 HydrophobicContact CD2-CD1 4.39Å; L839-L875 HydrophobicContact CG-CD1 4.27Å; L839-I879 HydrophobicContact CD2-CG1 3.97Å; L839-I882 HydrophobicContact CB-CD1 3.91Å; L839-I882 HydrophobicContact CD2-CD1 3.71Å; L839-I882 HydrophobicContact CG-CD1 4.37Å |
| 840 | M | 97.8 | Very high | 97.2 | Very high | 23 Ų | 23 | 53.6 Ų | 53.6 | 11% | 0.113 | 27% | 0.272 | C | S | . | . | I | π-helix | trans | -67.7 | -48.7 | 176.2 | -66 | -173.7 | -67.2 | 0 | 0 | 111.9 | R802 M805 E806 A836 Q837 Q842 F844 Y845 | R802-M840 HydrophobicContact CB-SD 4.48Å; R802-M840 HydrophobicContact CG-CG 4.27Å; R802-M840 HydrophobicContact CG-SD 3.58Å; R802-M840 VanDerWaalsContact CG-SD 3.58Å; M805-M840 HydrophobicContact CB-SD 4.18Å; M805-M840 HydrophobicContact CE-CG 3.72Å; M805-M840 HydrophobicContact CE-SD 4.14Å; M805-M840 HydrophobicContact CG-CE 4.26Å; M805-M840 HydrophobicContact CG-SD 4.12Å; E806-M840 HydrophobicContact CB-CE 4.3Å; E806-M840 HydrophobicContact CB-SD 4.33Å; A836-M840 WeakPolarHBondContact O-CG 3.36Å; A836-M840 PolarHBondContact O-N 2.81Å; Q837-M840 HydrophobicContact CG-CE 4.49Å; Q837-M840 PolarHBondContact O-N 3.12Å; M840-Q842 VanDerWaalsContact C-N 3.31Å; M840-Q842 PolarHBondContact O-N 3.48Å; M840-F844 HydrophobicContact CB-CG 4.49Å; M840-F844 HydrophobicContact CG-CD1 4.42Å; M840-F844 HydrophobicContact CG-CD2 4.21Å; M840-F844 HydrophobicContact CG-CE2 4.37Å; M840-F844 HydrophobicContact CG-CG 4.26Å; M840-F844 WeakPolarHBondContact O-CB 3.36Å; M840-Y845 PolarHBondContact O-N 3.15Å |
| 841 | A | 96.5 | Very high | 97.1 | Very high | 71 Ų | 71 | 48.1 Ų | 48.1 | 59% | 0.587 | 25% | 0.251 | S | S | * | . | I | π-helix | trans | -65.4 | -29.8 | -178.6 | 0 | 0 | 0 | 0 | 0 | 113.7 | Q837 Y845 | Q837-A841 WeakPolarHBondContact O-CB 3.46Å; Q837-A841 PolarHBondContact O-N 3.2Å; A841-Y845 WeakPolarHBondContact O-CB 3.2Å |
| 842 | Q | 96.2 | Very high | 97 | Very high | 101 Ų | 101 | 48.2 Ų | 48.2 | 47% | 0.472 | 25% | 0.246 | S | C | . | . | I | π-helix | trans | -106.2 | -56.8 | -178.5 | -61.8 | -170.3 | -10.3 | 0 | 0 | 113.5 | L838 M840 Q846 | L838-Q842 HydrophobicContact CD1-CG 4.07Å; L838-Q842 WeakPolarHBondContact O-CB 3.37Å; L838-Q842 PolarHBondContact O-N 2.91Å; M840-Q842 VanDerWaalsContact C-N 3.31Å; M840-Q842 PolarHBondContact O-N 3.48Å; Q842-Q846 WeakPolarHBondContact O-CB 3.33Å; Q842-Q846 VanDerWaalsContact O-CD 3.27Å; Q842-Q846 WeakPolarHBondContact O-CG 3.5Å; Q842-Q846 PolarHBondContact O-N 2.89Å |
| 843 | K | 96.6 | Very high | 96.9 | Very high | 100 Ų | 100 | 52.3 Ų | 52.3 | 44% | 0.435 | 27% | 0.265 | S | S | . | . | I | π-helix | trans | -86.2 | -37 | -168.9 | -72.4 | -73.1 | 166.1 | -159.7 | 0 | 113.2 | L839 Y845 Q846 F847 L875 | L839-K843 HydrophobicContact CD1-CB 3.71Å; L839-K843 HydrophobicContact CD1-CG 3.81Å; L839-K843 HydrophobicContact CG-CB 4.26Å; L839-K843 WeakPolarHBondContact O-CA 3.42Å; L839-K843 WeakPolarHBondContact O-CB 3.24Å; L839-K843 PolarHBondContact O-N 3.01Å; K843-Y845 VanDerWaalsContact C-N 3.32Å; K843-Q846 PolarHBondContact O-N 3.32Å; K843-F847 WeakPolarHBondContact O-CB 3.46Å; K843-F847 PolarHBondContact O-N 2.9Å; K843-L875 HydrophobicContact CB-CD1 3.68Å |
| 844 | F | 97.6 | Very high | 96.7 | Very high | 1 Ų | 1 | 52.4 Ų | 52.4 | 0% | 0.004 | 27% | 0.265 | C | S | . | . | I | π-helix | trans | -68.6 | -39.4 | 172.3 | -71.9 | 40.4 | 0 | 0 | 0 | 109.6 | L798 E801 R802 M805 L839 M840 F847 R848 L875 I879 | L798-F844 HydrophobicContact CD1-CB 3.79Å; L798-F844 HydrophobicContact CD1-CD1 4.26Å; L798-F844 HydrophobicContact CD1-CD2 3.32Å; L798-F844 HydrophobicContact CD1-CE2 3.84Å; L798-F844 HydrophobicContact CD1-CG 3.54Å; L798-F844 HydrophobicContact CD1-CZ 4.48Å; L798-F844 HydrophobicContact CG-CB 4.46Å; L798-F844 HydrophobicContact CG-CD2 4.08Å; E801-F844 HydrophobicContact CB-CE2 4.25Å; E801-F844 HydrophobicContact CG-CE2 4.14Å; E801-F844 HydrophobicContact CG-CZ 3.93Å; R802-F844 HydrophobicContact CB-CD2 3.99Å; R802-F844 HydrophobicContact CB-CE2 4.1Å; R802-F844 HydrophobicContact CG-CD2 4.39Å; M805-F844 HydrophobicContact CE-CE1 3.61Å; M805-F844 HydrophobicContact CE-CE2 3.91Å; M805-F844 HydrophobicContact CE-CZ 3.2Å; L839-F844 HydrophobicContact CD2-CE1 3.86Å; L839-F844 HydrophobicContact CG-CD1 4.18Å; L839-F844 HydrophobicContact CG-CE1 3.94Å; L839-F844 WeakPolarHBondContact O-CD1 3.05Å; L839-F844 PolarHBondContact O-N 2.91Å; M840-F844 HydrophobicContact CB-CG 4.49Å; M840-F844 HydrophobicContact CG-CD1 4.42Å; M840-F844 HydrophobicContact CG-CD2 4.21Å; M840-F844 HydrophobicContact CG-CE2 4.37Å; M840-F844 HydrophobicContact CG-CG 4.26Å; M840-F844 WeakPolarHBondContact O-CB 3.36Å; F844-F847 PolarHBondContact O-N 2.8Å; F844-R848 WeakPolarHBondContact O-CB 3.39Å; F844-R848 PolarHBondContact O-N 3.37Å; F844-L875 HydrophobicContact CD1-CD1 3.87Å; F844-L875 HydrophobicContact CD1-CD2 4.06Å; F844-L875 HydrophobicContact CD1-CG 4.34Å; F844-L875 HydrophobicContact CE1-CD1 3.8Å; F844-L875 HydrophobicContact CE1-CD2 4.08Å; F844-L875 HydrophobicContact CE1-CG 4.04Å; F844-I879 HydrophobicContact CE1-CD1 4.05Å; F844-I879 HydrophobicContact CE1-CG1 3.98Å; F844-I879 HydrophobicContact CZ-CD1 3.77Å; F844-I879 HydrophobicContact CZ-CG1 3.85Å |
| 845 | Y | 96.5 | Very high | 96.4 | Very high | 108 Ų | 108 | 53 Ų | 53 | 42% | 0.424 | 26% | 0.26 | S | S | . | . | H | α-helix | trans | -56.8 | -53.3 | 172.8 | -173.3 | -83.4 | 0 | 0 | 0 | 112.1 | M840 A841 K843 F847 R848 E849 | M840-Y845 PolarHBondContact O-N 3.15Å; A841-Y845 WeakPolarHBondContact O-CB 3.2Å; K843-Y845 VanDerWaalsContact C-N 3.32Å; Y845-F847 PolarHBondContact O-N 2.98Å; Y845-R848 VanDerWaalsContact CE2-NH2 3.33Å; Y845-R848 WeakPolarHBondContact O-CB 3.4Å; Y845-R848 PolarHBondContact O-N 2.82Å; Y845-E849 HydrophobicContact CE1-CG 4.02Å; Y845-E849 WeakPolarHBondContact CE1-OE1 3.33Å; Y845-E849 WeakPolarHBondContact CE1-OE2 3.31Å; Y845-E849 PolarHBondContact O-N 3.12Å; Y845-E849 VanDerWaalsContact O-N 3.13Å; Y845-E849 PolarHBondContact OH-OE1 2.97Å |
| 846 | Q | 96.3 | Very high | 96.1 | Very high | 83 Ų | 83 | 55.1 Ų | 55.1 | 39% | 0.388 | 27% | 0.27 | S | S | . | . | H | α-helix | trans | -58.6 | -42 | 176.1 | -76.4 | 162.6 | 19.3 | 0 | 0 | 113.1 | Q842 K843 E849 L850 | Q842-Q846 WeakPolarHBondContact O-CB 3.33Å; Q842-Q846 VanDerWaalsContact O-CD 3.27Å; Q842-Q846 WeakPolarHBondContact O-CG 3.5Å; Q842-Q846 PolarHBondContact O-N 2.89Å; K843-Q846 PolarHBondContact O-N 3.32Å; Q846-E849 PolarHBondContact O-N 3.43Å; Q846-L850 WeakPolarHBondContact O-CG 3.41Å; Q846-L850 PolarHBondContact O-N 3.36Å; Q846-L850 VanDerWaalsContact O-N 3.11Å |
| 847 | F | 97.5 | Very high | 95.6 | Very high | 7 Ų | 7 | 59.5 Ų | 59.5 | 3% | 0.031 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -70.5 | -34 | -179.9 | -172.9 | -111.2 | 0 | 0 | 0 | 112.5 | F794 L798 K843 F844 Y845 L850 C851 L868 F871 W872 L875 | F794-F847 HydrophobicContact CB-CE1 3.87Å; F794-F847 HydrophobicContact CB-CZ 3.89Å; F794-F847 HydrophobicContact CD1-CE1 4.06Å; F794-F847 AromaticContact CD1-CZ 3.62Å; F794-F847 HydrophobicContact CD1-CZ 3.62Å; F794-F847 HydrophobicContact CE1-CZ 4.31Å; F794-F847 HydrophobicContact CG-CE1 4.28Å; F794-F847 AromaticContact CG-CZ 3.86Å; F794-F847 HydrophobicContact CG-CZ 3.86Å; L798-F847 HydrophobicContact CB-CD1 4.39Å; L798-F847 HydrophobicContact CD1-CD1 3.91Å; L798-F847 HydrophobicContact CD2-CD1 3.96Å; L798-F847 HydrophobicContact CG-CD1 4.29Å; K843-F847 WeakPolarHBondContact O-CB 3.46Å; K843-F847 PolarHBondContact O-N 2.9Å; F844-F847 PolarHBondContact O-N 2.8Å; Y845-F847 PolarHBondContact O-N 2.98Å; F847-L850 PolarHBondContact O-N 3.1Å; F847-C851 PolarHBondContact O-N 3.27Å; F847-C851 PolarHBondContact O-SG 3.29Å; F847-L868 HydrophobicContact CE2-CB 4.31Å; F847-L868 HydrophobicContact CE2-CD2 4.01Å; F847-L868 WeakPolarHBondContact CE2-O 3.43Å; F847-L868 HydrophobicContact CZ-CB 4.41Å; F847-L868 HydrophobicContact CZ-CD2 4.49Å; F847-F871 HydrophobicContact CD2-CB 3.74Å; F847-F871 HydrophobicContact CE2-CB 3.72Å; F847-W872 HydrophobicContact CD1-CE3 4.05Å; F847-W872 HydrophobicContact CD1-CZ3 4.45Å; F847-W872 HydrophobicContact CE1-CD2 4.47Å; F847-W872 AromaticContact CE1-CE3 3.51Å; F847-W872 HydrophobicContact CE1-CE3 3.51Å; F847-W872 HydrophobicContact CE1-CZ3 4.17Å; F847-W872 HydrophobicContact CE2-CB 4.3Å; F847-W872 HydrophobicContact CZ-CB 3.89Å; F847-W872 HydrophobicContact CZ-CE3 4.02Å; F847-L875 HydrophobicContact CB-CD2 4.12Å; F847-L875 HydrophobicContact CD1-CD2 4.13Å; F847-L875 HydrophobicContact CG-CD2 4.17Å |
| 848 | R | 96.9 | Very high | 95.3 | Very high | 59 Ų | 59 | 61.5 Ų | 61.5 | 22% | 0.223 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -62.5 | -46.7 | 174 | -157.6 | -165.2 | 63.3 | -100.3 | -15.8 | 111.1 | L795 L798 F844 Y845 L850 C851 E852 | L795-R848 HydrophobicContact CD2-CB 4.3Å; L795-R848 HydrophobicContact CD2-CG 3.29Å; L798-R848 HydrophobicContact CD2-CB 3.68Å; L798-R848 HydrophobicContact CD2-CG 4.04Å; F844-R848 WeakPolarHBondContact O-CB 3.39Å; F844-R848 PolarHBondContact O-N 3.37Å; Y845-R848 VanDerWaalsContact CE2-NH2 3.33Å; Y845-R848 WeakPolarHBondContact O-CB 3.4Å; Y845-R848 PolarHBondContact O-N 2.82Å; R848-L850 PolarHBondContact O-N 3.03Å; R848-C851 WeakPolarHBondContact O-CB 3.49Å; R848-C851 PolarHBondContact O-N 2.85Å; R848-C851 VanDerWaalsContact O-N 3.12Å; R848-E852 WeakPolarHBondContact CD-OE1 3.19Å; R848-E852 VanDerWaalsContact CG-OE1 3.31Å; R848-E852 WeakPolarHBondContact CG-OE1 3.19Å; R848-E852 IonicContact CZ-OE1 3.42Å; R848-E852 IonicContact NE-OE1 3.31Å; R848-E852 PolarHBondContact NE-OE1 3.17Å; R848-E852 WeakPolarHBondContact O-CG 3.37Å; R848-E852 PolarHBondContact O-N 3.07Å |
| 849 | E | 96.3 | Very high | 94.8 | Very high | 74 Ų | 74 | 57.6 Ų | 57.6 | 35% | 0.346 | 29% | 0.293 | S | S | . | . | H | α-helix | trans | -59.4 | -44.9 | 175.1 | -70.5 | -179.8 | 145.3 | 0 | 0 | 111.8 | Y845 Q846 C851 E852 E853 | Y845-E849 HydrophobicContact CE1-CG 4.02Å; Y845-E849 WeakPolarHBondContact CE1-OE1 3.33Å; Y845-E849 WeakPolarHBondContact CE1-OE2 3.31Å; Y845-E849 PolarHBondContact O-N 3.12Å; Y845-E849 VanDerWaalsContact O-N 3.13Å; Y845-E849 PolarHBondContact OH-OE1 2.97Å; Q846-E849 PolarHBondContact O-N 3.43Å; E849-C851 VanDerWaalsContact C-N 3.27Å; E849-C851 PolarHBondContact O-N 2.84Å; E849-E852 PolarHBondContact O-N 3.31Å; E849-E852 VanDerWaalsContact O-N 3.15Å; E849-E853 WeakPolarHBondContact O-CB 3.41Å; E849-E853 WeakPolarHBondContact O-CG 3.29Å; E849-E853 PolarHBondContact O-N 3.26Å |
| 850 | L | 95.8 | Very high | 93.8 | Very high | 35 Ų | 35 | 65 Ų | 65 | 18% | 0.183 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -60.4 | -34.7 | 174.8 | -71 | 169.3 | 0 | 0 | 0 | 112.9 | Q846 F847 R848 N854 P863 L868 F871 | Q846-L850 WeakPolarHBondContact O-CG 3.41Å; Q846-L850 PolarHBondContact O-N 3.36Å; Q846-L850 VanDerWaalsContact O-N 3.11Å; F847-L850 PolarHBondContact O-N 3.1Å; R848-L850 PolarHBondContact O-N 3.03Å; L850-N854 WeakPolarHBondContact O-CB 3.06Å; L850-N854 PolarHBondContact O-N 3.39Å; L850-P863 HydrophobicContact CD2-CB 4.45Å; L850-P863 HydrophobicContact CD2-CG 3.76Å; L850-L868 HydrophobicContact CB-CD2 3.87Å; L850-F871 HydrophobicContact CD1-CD1 4.13Å; L850-F871 HydrophobicContact CD1-CD2 3.81Å; L850-F871 HydrophobicContact CD1-CE1 4.15Å; L850-F871 HydrophobicContact CD1-CE2 3.84Å; L850-F871 HydrophobicContact CD1-CG 3.96Å; L850-F871 HydrophobicContact CD1-CZ 4.02Å |
| 851 | C | 95.6 | Very high | 93.1 | Very high | 0 Ų | 0 | 69.8 Ų | 69.8 | 0% | 0 | 36% | 0.359 | C | S | . | . | H | α-helix | trans | -71 | -40.2 | 174.7 | -64.6 | 0 | 0 | 0 | 0 | 112 | F794 L795 F847 R848 E849 N854 L855 L868 | F794-C851 VanDerWaalsContact CB-SG 3.52Å; L795-C851 HydrophobicContact CD1-CB 4.29Å; L795-C851 HydrophobicContact CD2-CB 3.87Å; L795-C851 HydrophobicContact CG-CB 3.69Å; F847-C851 PolarHBondContact O-N 3.27Å; F847-C851 PolarHBondContact O-SG 3.29Å; R848-C851 WeakPolarHBondContact O-CB 3.49Å; R848-C851 PolarHBondContact O-N 2.85Å; R848-C851 VanDerWaalsContact O-N 3.12Å; E849-C851 VanDerWaalsContact C-N 3.27Å; E849-C851 PolarHBondContact O-N 2.84Å; C851-N854 WeakPolarHBondContact O-CB 3.41Å; C851-N854 PolarHBondContact O-N 3.33Å; C851-L855 WeakPolarHBondContact O-CG 3.28Å; C851-L855 PolarHBondContact O-N 3.12Å; C851-L855 VanDerWaalsContact O-N 3.12Å; C851-L868 HydrophobicContact CB-CD1 4.48Å |
| 852 | E | 94.8 | Very high | 92.8 | Very high | 90 Ų | 90 | 72 Ų | 72 | 42% | 0.421 | 35% | 0.352 | S | S | . | . | H | α-helix | trans | -64.6 | -40.2 | 174.5 | -68.1 | 164.9 | -153.9 | 0 | 0 | 111 | R848 E849 L855 N856 | R848-E852 WeakPolarHBondContact CD-OE1 3.19Å; R848-E852 VanDerWaalsContact CG-OE1 3.31Å; R848-E852 WeakPolarHBondContact CG-OE1 3.19Å; R848-E852 IonicContact CZ-OE1 3.42Å; R848-E852 IonicContact NE-OE1 3.31Å; R848-E852 PolarHBondContact NE-OE1 3.17Å; R848-E852 WeakPolarHBondContact O-CG 3.37Å; R848-E852 PolarHBondContact O-N 3.07Å; E849-E852 PolarHBondContact O-N 3.31Å; E849-E852 VanDerWaalsContact O-N 3.15Å; E852-L855 PolarHBondContact O-N 3.41Å; E852-N856 PolarHBondContact O-N 3.41Å |
| 853 | E | 94.6 | Very high | 92.6 | Very high | 87 Ų | 87 | 67.9 Ų | 67.9 | 41% | 0.407 | 33% | 0.334 | S | S | . | . | H | α-helix | trans | -65 | -39.3 | 171.4 | -73.3 | -178 | 168 | 0 | 0 | 112.9 | E849 L855 N856 A859 P863 | E849-E853 WeakPolarHBondContact O-CB 3.41Å; E849-E853 WeakPolarHBondContact O-CG 3.29Å; E849-E853 PolarHBondContact O-N 3.26Å; E853-L855 PolarHBondContact O-N 3.36Å; E853-N856 PolarHBondContact O-N 2.83Å; E853-A859 HydrophobicContact CB-CB 4.29Å; E853-A859 WeakPolarHBondContact O-CB 3.49Å; E853-P863 HydrophobicContact CB-CG 3.93Å |
| 854 | N | 93.8 | Very high | 92.5 | Very high | 9 Ų | 9 | 66.5 Ų | 66.5 | 5% | 0.048 | 33% | 0.334 | C | S | . | . | H | α-helix | trans | -61.6 | -32.1 | 173.5 | 171.4 | -99.9 | 0 | 0 | 0 | 112.1 | G791 L850 C851 R862 P863 S865 L868 | G791-N854 PolarHBondContact N-OD1 2.84Å; L850-N854 WeakPolarHBondContact O-CB 3.06Å; L850-N854 PolarHBondContact O-N 3.39Å; C851-N854 WeakPolarHBondContact O-CB 3.41Å; C851-N854 PolarHBondContact O-N 3.33Å; N854-R862 PolarHBondContact O-NE 3.19Å; N854-R862 PolarHBondContact O-NH2 3.18Å; N854-P863 HydrophobicContact CB-CB 4.46Å; N854-P863 PolarHBondContact ND2-O 3.46Å; N854-S865 PolarHBondContact ND2-N 3.03Å; N854-L868 HydrophobicContact CB-CD1 3.64Å; N854-L868 HydrophobicContact CB-CD2 4.49Å; N854-L868 HydrophobicContact CB-CG 4.21Å |
| 855 | L | 92.3 | Very high | 92.2 | Very high | 44 Ų | 44 | 68.8 Ų | 68.8 | 23% | 0.23 | 35% | 0.35 | C | S | . | . | H | α-helix | trans | -79.5 | -33.2 | 177 | -66.4 | 170.9 | 0 | 0 | 0 | 112.4 | D790 H792 L795 C851 E852 E853 P857 | D790-L855 HydrophobicContact CB-CD2 4.41Å; H792-L855 WeakPolarHBondContact CD2-CD2 3.49Å; H792-L855 WeakPolarHBondContact ND1-CD1 3.36Å; L795-L855 HydrophobicContact CD1-CD1 3.88Å; C851-L855 WeakPolarHBondContact O-CG 3.28Å; C851-L855 PolarHBondContact O-N 3.12Å; C851-L855 VanDerWaalsContact O-N 3.12Å; E852-L855 PolarHBondContact O-N 3.41Å; E853-L855 PolarHBondContact O-N 3.36Å; L855-P857 WeakPolarHBondContact O-CD 3.33Å |
| 856 | N | 91.8 | Very high | 92.1 | Very high | 72 Ų | 72 | 71.4 Ų | 71.4 | 39% | 0.385 | 37% | 0.366 | S | S | . | . | | | trans | -68.2 | 115.5 | 178.1 | -175.5 | -3.6 | 0 | 0 | 0 | 111.8 | E852 E853 N858 A859 | E852-N856 PolarHBondContact O-N 3.41Å; E853-N856 PolarHBondContact O-N 2.83Å; N856-N858 PolarHBondContact O-N 3.33Å; N856-N858 WeakPolarHBondContact OD1-CB 3.42Å; N856-N858 PolarHBondContact OD1-N 3.49Å; N856-N858 PolarHBondContact OD1-ND2 2.9Å; N856-A859 HydrophobicContact CB-CB 4.29Å; N856-A859 PolarHBondContact O-N 3.33Å |
| 857 | P | 87.6 | Confident | 92 | Very high | 91 Ų | 91 | 71.1 Ų | 71.1 | 59% | 0.591 | 37% | 0.367 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67.4 | -16.8 | 179.3 | 28.8 | -35.2 | 0 | 0 | 0 | 113.6 | L855 | L855-P857 WeakPolarHBondContact O-CD 3.33Š|
| 858 | N | 91 | Very high | 91.9 | Very high | 124 Ų | 124 | 70.8 Ų | 70.8 | 66% | 0.663 | 37% | 0.366 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -97.4 | 3 | -177 | -49.5 | -67.5 | 0 | 0 | 0 | 113.6 | N856 | N856-N858 PolarHBondContact O-N 3.33Å; N856-N858 WeakPolarHBondContact OD1-CB 3.42Å; N856-N858 PolarHBondContact OD1-N 3.49Å; N856-N858 PolarHBondContact OD1-ND2 2.9Å |
| 859 | A | 86.8 | Confident | 91.9 | Very high | 12 Ų | 12 | 69.5 Ų | 69.5 | 10% | 0.099 | 37% | 0.368 | C | S | . | . | | | trans | -70.9 | 135 | 179 | 0 | 0 | 0 | 0 | 0 | 111.6 | E853 N856 R862 | E853-A859 HydrophobicContact CB-CB 4.29Å; E853-A859 WeakPolarHBondContact O-CB 3.49Å; N856-A859 HydrophobicContact CB-CB 4.29Å; N856-A859 PolarHBondContact O-N 3.33Å; A859-R862 HydrophobicContact CB-CB 4.17Å; A859-R862 HydrophobicContact CB-CG 4.33Å; A859-R862 WeakPolarHBondContact O-CB 3.45Å; A859-R862 PolarHBondContact O-N 2.99Å |
| 860 | H | 77.3 | Confident | 91.9 | Very high | 175 Ų | 175 | 67.9 Ų | 67.9 | 81% | 0.81 | 37% | 0.371 | S | S | * | . | S | Bend | trans | -140.3 | 110.3 | -177.7 | -71.1 | -17 | 0 | 0 | 0 | 111.3 | | |
| 861 | P | 84.1 | Confident | 91.9 | Very high | 122 Ų | 122 | 71.3 Ų | 71.3 | 79% | 0.792 | 39% | 0.385 | S | S | * | . | S | Bend | cis | -67.6 | 140.6 | -7.9 | 30.9 | -34.9 | 0 | 0 | 0 | 111.5 | | |
| 862 | R | 90.1 | Very high | 92 | Very high | 119 Ų | 119 | 72.2 Ų | 72.2 | 45% | 0.449 | 39% | 0.388 | S | S | . | . | P | Polyproline II helix | trans | -80.5 | 122.7 | 171.4 | -174.4 | 170.6 | 176.1 | -172.1 | 1.3 | 108.9 | N854 A859 T864 | N854-R862 PolarHBondContact O-NE 3.19Å; N854-R862 PolarHBondContact O-NH2 3.18Å; A859-R862 HydrophobicContact CB-CB 4.17Å; A859-R862 HydrophobicContact CB-CG 4.33Å; A859-R862 WeakPolarHBondContact O-CB 3.45Å; A859-R862 PolarHBondContact O-N 2.99Å; R862-T864 PolarHBondContact O-N 3.08Å |
| 863 | P | 92.3 | Very high | 92.1 | Very high | 14 Ų | 14 | 72.8 Ų | 72.8 | 9% | 0.091 | 39% | 0.394 | C | S | . | . | P | Polyproline II helix | trans | -58.6 | 134.2 | 170.8 | -21.8 | 33.2 | 0 | 0 | 0 | 109.9 | L850 E853 N854 L868 | L850-P863 HydrophobicContact CD2-CB 4.45Å; L850-P863 HydrophobicContact CD2-CG 3.76Å; E853-P863 HydrophobicContact CB-CG 3.93Å; N854-P863 HydrophobicContact CB-CB 4.46Å; N854-P863 PolarHBondContact ND2-O 3.46Å; P863-L868 HydrophobicContact CB-CD2 4.43Å |
| 864 | T | 92.7 | Very high | 92.1 | Very high | 71 Ų | 71 | 74.8 Ų | 74.8 | 44% | 0.436 | 41% | 0.405 | S | S | . | . | P | Polyproline II helix | trans | -83.9 | 162.7 | 175 | 72.5 | 0 | 0 | 0 | 0 | 111.1 | R862 Q866 D867 L868 | R862-T864 PolarHBondContact O-N 3.08Å; T864-Q866 PolarHBondContact O-N 3.12Å; T864-Q866 VanDerWaalsContact O-N 3.13Å; T864-Q866 PolarHBondContact OG1-N 2.79Å; T864-D867 WeakPolarHBondContact CA-OD2 3.34Å; T864-D867 VanDerWaalsContact CB-OD2 3.25Å; T864-D867 WeakPolarHBondContact CB-OD2 3.49Å; T864-D867 WeakPolarHBondContact CG2-OD2 3.33Å; T864-D867 PolarHBondContact N-OD2 2.92Å; T864-D867 PolarHBondContact O-N 2.82Å; T864-D867 VanDerWaalsContact OG1-CG 3.27Å; T864-D867 PolarHBondContact OG1-N 2.97Å; T864-D867 VanDerWaalsContact OG1-N 3.14Å; T864-D867 PolarHBondContact OG1-OD2 3.3Å; T864-L868 PolarHBondContact O-N 2.82Å |
| 865 | S | 92.9 | Very high | 92.3 | Very high | 48 Ų | 48 | 74.8 Ų | 74.8 | 34% | 0.336 | 41% | 0.405 | S | S | . | . | H | α-helix | trans | -54.5 | -27.4 | 170 | -70.2 | 0 | 0 | 0 | 0 | 113.7 | R789 N854 A869 | R789-S865 WeakPolarHBondContact O-CB 3.38Å; R789-S865 PolarHBondContact O-OG 3.26Å; N854-S865 PolarHBondContact ND2-N 3.03Å; S865-A869 PolarHBondContact O-N 3.36Å; S865-A869 VanDerWaalsContact O-N 3.12Å |
| 866 | Q | 93.8 | Very high | 92.6 | Very high | 163 Ų | 163 | 76 Ų | 76 | 76% | 0.762 | 41% | 0.41 | S | S | * | . | H | α-helix | trans | -81.7 | -33.6 | 177.6 | -173.5 | 169.4 | -13.2 | 0 | 0 | 112.1 | T864 A869 G870 | T864-Q866 PolarHBondContact O-N 3.12Å; T864-Q866 VanDerWaalsContact O-N 3.13Å; T864-Q866 PolarHBondContact OG1-N 2.79Å; Q866-A869 PolarHBondContact O-N 3.14Å; Q866-G870 PolarHBondContact O-N 3.01Å |
| 867 | D | 94.9 | Very high | 92.8 | Very high | 77 Ų | 77 | 77.4 Ų | 77.4 | 41% | 0.412 | 42% | 0.416 | S | S | . | . | H | α-helix | trans | -64.2 | -43.9 | 169.9 | -57.2 | -60.3 | 0 | 0 | 0 | 110.3 | T864 A869 G870 F871 | T864-D867 WeakPolarHBondContact CA-OD2 3.34Å; T864-D867 VanDerWaalsContact CB-OD2 3.25Å; T864-D867 WeakPolarHBondContact CB-OD2 3.49Å; T864-D867 WeakPolarHBondContact CG2-OD2 3.33Å; T864-D867 PolarHBondContact N-OD2 2.92Å; T864-D867 PolarHBondContact O-N 2.82Å; T864-D867 VanDerWaalsContact OG1-CG 3.27Å; T864-D867 PolarHBondContact OG1-N 2.97Å; T864-D867 VanDerWaalsContact OG1-N 3.14Å; T864-D867 PolarHBondContact OG1-OD2 3.3Å; D867-A869 VanDerWaalsContact C-N 3.32Å; D867-A869 PolarHBondContact O-N 3.31Å; D867-G870 PolarHBondContact O-N 3.47Å; D867-F871 VanDerWaalsContact O-CD2 3.3Å; D867-F871 WeakPolarHBondContact O-CD2 3.42Å; D867-F871 PolarHBondContact O-N 3.15Å |
| 868 | L | 95.7 | Very high | 93.2 | Very high | 0 Ų | 0 | 75.2 Ų | 75.2 | 0% | 0 | 40% | 0.403 | C | S | . | . | H | α-helix | trans | -58.5 | -42.2 | 173.8 | -67.3 | -171.5 | 0 | 0 | 0 | 112.2 | F794 F847 L850 C851 N854 P863 T864 F871 W872 | F794-L868 HydrophobicContact CD2-CB 3.62Å; F794-L868 HydrophobicContact CD2-CD1 3.61Å; F794-L868 HydrophobicContact CD2-CG 4.29Å; F794-L868 HydrophobicContact CE2-CB 3.5Å; F794-L868 HydrophobicContact CE2-CD1 4.2Å; F794-L868 HydrophobicContact CG-CB 4.25Å; F794-L868 HydrophobicContact CG-CD1 4.34Å; F794-L868 HydrophobicContact CZ-CB 4.05Å; F847-L868 HydrophobicContact CE2-CB 4.31Å; F847-L868 HydrophobicContact CE2-CD2 4.01Å; F847-L868 WeakPolarHBondContact CE2-O 3.43Å; F847-L868 HydrophobicContact CZ-CB 4.41Å; F847-L868 HydrophobicContact CZ-CD2 4.49Å; L850-L868 HydrophobicContact CB-CD2 3.87Å; C851-L868 HydrophobicContact CB-CD1 4.48Å; N854-L868 HydrophobicContact CB-CD1 3.64Å; N854-L868 HydrophobicContact CB-CD2 4.49Å; N854-L868 HydrophobicContact CB-CG 4.21Å; P863-L868 HydrophobicContact CB-CD2 4.43Å; T864-L868 PolarHBondContact O-N 2.82Å; L868-F871 PolarHBondContact O-N 3.32Å; L868-W872 VanDerWaalsContact O-CB 3.28Å; L868-W872 WeakPolarHBondContact O-CB 3.49Å; L868-W872 PolarHBondContact O-N 2.91Å |
| 869 | A | 95.4 | Very high | 93.5 | Very high | 33 Ų | 33 | 69.4 Ų | 69.4 | 27% | 0.273 | 37% | 0.372 | S | S | . | . | H | α-helix | trans | -60.4 | -46.7 | 174.5 | 0 | 0 | 0 | 0 | 0 | 112 | F794 S865 Q866 D867 F871 W872 D873 | F794-A869 HydrophobicContact CZ-CB 4Å; S865-A869 PolarHBondContact O-N 3.36Å; S865-A869 VanDerWaalsContact O-N 3.12Å; Q866-A869 PolarHBondContact O-N 3.14Å; D867-A869 VanDerWaalsContact C-N 3.32Å; D867-A869 PolarHBondContact O-N 3.31Å; A869-F871 PolarHBondContact O-N 3.12Å; A869-W872 WeakPolarHBondContact O-CB 3.37Å; A869-W872 PolarHBondContact O-N 3.11Å; A869-D873 PolarHBondContact O-N 3.49Å |
| 870 | G | 95.9 | Very high | 94 | Very high | 39 Ų | 39 | 73.5 Ų | 73.5 | 40% | 0.402 | 39% | 0.389 | S | S | . | . | H | α-helix | trans | -65.1 | -36.1 | 177.9 | 0 | 0 | 0 | 0 | 0 | 114 | Q866 D867 M874 | Q866-G870 PolarHBondContact O-N 3.01Å; D867-G870 PolarHBondContact O-N 3.47Å; G870-M874 WeakPolarHBondContact O-CG 3.41Å; G870-M874 PolarHBondContact O-N 2.92Å |
| 871 | F | 96.2 | Very high | 95 | Very high | 108 Ų | 108 | 69.5 Ų | 69.5 | 47% | 0.474 | 37% | 0.374 | S | S | . | . | H | α-helix | trans | -69.2 | -37.2 | 171.4 | -86.2 | -71.7 | 0 | 0 | 0 | 112.3 | F847 L850 D867 L868 A869 M874 L875 | F847-F871 HydrophobicContact CD2-CB 3.74Å; F847-F871 HydrophobicContact CE2-CB 3.72Å; L850-F871 HydrophobicContact CD1-CD1 4.13Å; L850-F871 HydrophobicContact CD1-CD2 3.81Å; L850-F871 HydrophobicContact CD1-CE1 4.15Å; L850-F871 HydrophobicContact CD1-CE2 3.84Å; L850-F871 HydrophobicContact CD1-CG 3.96Å; L850-F871 HydrophobicContact CD1-CZ 4.02Å; D867-F871 VanDerWaalsContact O-CD2 3.3Å; D867-F871 WeakPolarHBondContact O-CD2 3.42Å; D867-F871 PolarHBondContact O-N 3.15Å; L868-F871 PolarHBondContact O-N 3.32Å; A869-F871 PolarHBondContact O-N 3.12Å; F871-M874 PolarHBondContact O-N 3.4Å; F871-L875 WeakPolarHBondContact O-CB 3.35Å; F871-L875 PolarHBondContact O-N 3.39Å |
| 872 | W | 97.3 | Very high | 95.6 | Very high | 19 Ų | 19 | 64.1 Ų | 64.1 | 7% | 0.072 | 34% | 0.338 | C | S | . | . | H | α-helix | trans | -65.4 | -45.9 | 176.1 | 179.9 | -98.9 | 0 | 0 | 0 | 111.9 | F794 L797 L798 E801 F847 L868 A869 M874 L875 Q876 I879 | F794-W872 HydrophobicContact CD1-CB 4.04Å; F794-W872 HydrophobicContact CD1-CD2 4.4Å; F794-W872 HydrophobicContact CD1-CG 4.13Å; F794-W872 HydrophobicContact CE1-CB 3.62Å; F794-W872 AromaticContact CE1-CG 3.86Å; F794-W872 HydrophobicContact CE1-CG 3.86Å; L797-W872 HydrophobicContact CD1-CZ2 4.37Å; L797-W872 HydrophobicContact CD2-CD2 4.19Å; L797-W872 VanDerWaalsContact CD2-CE2 3.49Å; L797-W872 HydrophobicContact CD2-CH2 4.09Å; L797-W872 HydrophobicContact CD2-CZ2 3.44Å; L797-W872 VanDerWaalsContact CD2-CZ2 3.44Å; L797-W872 HydrophobicContact CG-CH2 3.75Å; L797-W872 HydrophobicContact CG-CZ2 3.52Å; L797-W872 HydrophobicContact CG-CZ3 4.48Å; L798-W872 HydrophobicContact CB-CZ3 4.26Å; L798-W872 HydrophobicContact CD1-CZ3 4.05Å; E801-W872 HydrophobicContact CB-CH2 4.22Å; E801-W872 HydrophobicContact CG-CH2 4.4Å; F847-W872 HydrophobicContact CD1-CE3 4.05Å; F847-W872 HydrophobicContact CD1-CZ3 4.45Å; F847-W872 HydrophobicContact CE1-CD2 4.47Å; F847-W872 AromaticContact CE1-CE3 3.51Å; F847-W872 HydrophobicContact CE1-CE3 3.51Å; F847-W872 HydrophobicContact CE1-CZ3 4.17Å; F847-W872 HydrophobicContact CE2-CB 4.3Å; F847-W872 HydrophobicContact CZ-CB 3.89Å; F847-W872 HydrophobicContact CZ-CE3 4.02Å; L868-W872 VanDerWaalsContact O-CB 3.28Å; L868-W872 WeakPolarHBondContact O-CB 3.49Å; L868-W872 PolarHBondContact O-N 2.91Å; A869-W872 WeakPolarHBondContact O-CB 3.37Å; A869-W872 PolarHBondContact O-N 3.11Å; W872-M874 VanDerWaalsContact C-N 3.28Å; W872-M874 PolarHBondContact O-N 3.5Å; W872-L875 HydrophobicContact CE3-CD2 4.07Å; W872-L875 HydrophobicContact CZ3-CD2 3.98Å; W872-L875 CarbonylContact O-C 3.52Å; W872-L875 WeakPolarHBondContact O-CA 3.4Å; W872-L875 WeakPolarHBondContact O-CB 3.33Å; W872-L875 PolarHBondContact O-N 3.26Å; W872-Q876 WeakPolarHBondContact O-CB 3.02Å; W872-Q876 PolarHBondContact O-N 3Å; W872-I879 HydrophobicContact CH2-CD1 4.43Å |
| 873 | D | 96.9 | Very high | 96 | Very high | 102 Ų | 102 | 59.4 Ų | 59.4 | 55% | 0.545 | 32% | 0.324 | S | S | . | . | H | α-helix | trans | -60.2 | -40.1 | 178.1 | -66.9 | -18.7 | 0 | 0 | 0 | 111.5 | A869 L875 Q876 L877 | A869-D873 PolarHBondContact O-N 3.49Å; D873-L875 VanDerWaalsContact C-N 3.34Å; D873-Q876 PolarHBondContact O-N 2.7Å; D873-L877 WeakPolarHBondContact O-CG 3.25Å; D873-L877 PolarHBondContact O-N 3.31Å; D873-L877 VanDerWaalsContact O-N 3.15Å |
| 874 | M | 96.1 | Very high | 96.2 | Very high | 128 Ų | 128 | 63.7 Ų | 63.7 | 63% | 0.631 | 34% | 0.344 | S | S | * | . | H | α-helix | trans | -65.6 | -33.5 | 172.8 | -75.2 | -74.6 | -67.1 | 0 | 0 | 113.2 | G870 F871 W872 S878 | G870-M874 WeakPolarHBondContact O-CG 3.41Å; G870-M874 PolarHBondContact O-N 2.92Å; F871-M874 PolarHBondContact O-N 3.4Å; W872-M874 VanDerWaalsContact C-N 3.28Å; W872-M874 PolarHBondContact O-N 3.5Å; M874-S878 PolarHBondContact O-OG 3.13Å; M874-S878 VanDerWaalsContact O-OG 3.08Å |
| 875 | L | 97.3 | Very high | 96.4 | Very high | 9 Ų | 9 | 63 Ų | 63 | 5% | 0.047 | 34% | 0.335 | C | S | . | . | H | α-helix | trans | -72 | -41.5 | 174.8 | -169.3 | 58 | 0 | 0 | 0 | 110.9 | L798 L839 K843 F844 F847 F871 W872 D873 L877 S878 I879 | L798-L875 HydrophobicContact CD1-CD2 3.81Å; L839-L875 HydrophobicContact CD1-CD1 4.17Å; L839-L875 HydrophobicContact CD2-CD1 4.39Å; L839-L875 HydrophobicContact CG-CD1 4.27Å; K843-L875 HydrophobicContact CB-CD1 3.68Å; F844-L875 HydrophobicContact CD1-CD1 3.87Å; F844-L875 HydrophobicContact CD1-CD2 4.06Å; F844-L875 HydrophobicContact CD1-CG 4.34Å; F844-L875 HydrophobicContact CE1-CD1 3.8Å; F844-L875 HydrophobicContact CE1-CD2 4.08Å; F844-L875 HydrophobicContact CE1-CG 4.04Å; F847-L875 HydrophobicContact CB-CD2 4.12Å; F847-L875 HydrophobicContact CD1-CD2 4.13Å; F847-L875 HydrophobicContact CG-CD2 4.17Å; F871-L875 WeakPolarHBondContact O-CB 3.35Å; F871-L875 PolarHBondContact O-N 3.39Å; W872-L875 HydrophobicContact CE3-CD2 4.07Å; W872-L875 HydrophobicContact CZ3-CD2 3.98Å; W872-L875 CarbonylContact O-C 3.52Å; W872-L875 WeakPolarHBondContact O-CA 3.4Å; W872-L875 WeakPolarHBondContact O-CB 3.33Å; W872-L875 PolarHBondContact O-N 3.26Å; D873-L875 VanDerWaalsContact C-N 3.34Å; L875-L877 PolarHBondContact O-N 3.13Å; L875-S878 CarbonylContact O-C 3.55Å; L875-S878 WeakPolarHBondContact O-CA 3.16Å; L875-S878 VanDerWaalsContact O-CB 3.24Å; L875-S878 WeakPolarHBondContact O-CB 3.36Å; L875-S878 PolarHBondContact O-N 3.48Å; L875-I879 HydrophobicContact CG-CD1 3.91Å; L875-I879 WeakPolarHBondContact O-CD1 3.39Å; L875-I879 WeakPolarHBondContact O-CG1 3.3Å; L875-I879 PolarHBondContact O-N 3.04Å |
| 876 | Q | 97.4 | Very high | 96.6 | Very high | 71 Ų | 71 | 60.8 Ų | 60.8 | 33% | 0.332 | 32% | 0.319 | S | S | . | . | H | α-helix | trans | -63.7 | -39.5 | -179.1 | -158.1 | 68.5 | -2.6 | 0 | 0 | 112.1 | W872 D873 S878 I879 E880 | W872-Q876 WeakPolarHBondContact O-CB 3.02Å; W872-Q876 PolarHBondContact O-N 3Å; D873-Q876 PolarHBondContact O-N 2.7Å; Q876-S878 PolarHBondContact O-N 3.17Å; Q876-I879 PolarHBondContact O-N 3.24Å; Q876-I879 VanDerWaalsContact OE1-CD1 3.32Å; Q876-E880 WeakPolarHBondContact O-CB 3.4Å; Q876-E880 PolarHBondContact O-N 3.46Å |
| 877 | L | 96.8 | Very high | 96.8 | Very high | 101 Ų | 101 | 56.1 Ų | 56.1 | 53% | 0.529 | 30% | 0.299 | S | S | . | . | H | α-helix | trans | -60.2 | -31.9 | 170.1 | -71.2 | 170.8 | 0 | 0 | 0 | 112.8 | D873 L875 N881 | D873-L877 WeakPolarHBondContact O-CG 3.25Å; D873-L877 PolarHBondContact O-N 3.31Å; D873-L877 VanDerWaalsContact O-N 3.15Å; L875-L877 PolarHBondContact O-N 3.13Å; L877-N881 WeakPolarHBondContact O-CB 3.38Å; L877-N881 PolarHBondContact O-N 2.88Å |
| 878 | S | 96.9 | Very high | 96.8 | Very high | 45 Ų | 45 | 56.4 Ų | 56.4 | 32% | 0.315 | 30% | 0.298 | S | S | . | . | H | α-helix | trans | -76.8 | -37 | 176.9 | -54.1 | 0 | 0 | 0 | 0 | 111.7 | M874 L875 Q876 I882 | M874-S878 PolarHBondContact O-OG 3.13Å; M874-S878 VanDerWaalsContact O-OG 3.08Å; L875-S878 CarbonylContact O-C 3.55Å; L875-S878 WeakPolarHBondContact O-CA 3.16Å; L875-S878 VanDerWaalsContact O-CB 3.24Å; L875-S878 WeakPolarHBondContact O-CB 3.36Å; L875-S878 PolarHBondContact O-N 3.48Å; Q876-S878 PolarHBondContact O-N 3.17Å; S878-I882 WeakPolarHBondContact O-CG1 3.2Å; S878-I882 PolarHBondContact O-N 2.74Å |
| 879 | I | 97.4 | Very high | 96.8 | Very high | 2 Ų | 2 | 56.5 Ų | 56.5 | 1% | 0.01 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -65.5 | -48.5 | 174.1 | -69.8 | 153.8 | 0 | 0 | 0 | 110.9 | E801 M805 L839 F844 W872 L875 Q876 N881 I882 S883 | E801-I879 HydrophobicContact CG-CD1 3.6Å; E801-I879 HydrophobicContact CG-CG1 4.19Å; E801-I879 HydrophobicContact CG-CG2 4.16Å; E801-I879 VanDerWaalsContact OE1-CG2 3.28Å; E801-I879 WeakPolarHBondContact OE1-CG2 3.36Å; M805-I879 HydrophobicContact CE-CG1 4.33Å; L839-I879 HydrophobicContact CD2-CG1 3.97Å; F844-I879 HydrophobicContact CE1-CD1 4.05Å; F844-I879 HydrophobicContact CE1-CG1 3.98Å; F844-I879 HydrophobicContact CZ-CD1 3.77Å; F844-I879 HydrophobicContact CZ-CG1 3.85Å; W872-I879 HydrophobicContact CH2-CD1 4.43Å; L875-I879 HydrophobicContact CG-CD1 3.91Å; L875-I879 WeakPolarHBondContact O-CD1 3.39Å; L875-I879 WeakPolarHBondContact O-CG1 3.3Å; L875-I879 PolarHBondContact O-N 3.04Å; Q876-I879 PolarHBondContact O-N 3.24Å; Q876-I879 VanDerWaalsContact OE1-CD1 3.32Å; I879-N881 VanDerWaalsContact C-N 3.32Å; I879-N881 PolarHBondContact O-N 3.07Å; I879-I882 CarbonylContact O-C 3.53Å; I879-I882 WeakPolarHBondContact O-CA 3.44Å; I879-I882 PolarHBondContact O-N 2.6Å; I879-S883 PolarHBondContact O-N 2.97Å |
| 880 | E | 97.4 | Very high | 96.8 | Very high | 98 Ų | 98 | 58 Ų | 58 | 46% | 0.458 | 30% | 0.3 | S | S | . | . | H | α-helix | trans | -60 | -41.6 | 179.2 | -174.1 | 176 | -153.1 | 0 | 0 | 111.5 | Q876 I882 S883 M884 | Q876-E880 WeakPolarHBondContact O-CB 3.4Å; Q876-E880 PolarHBondContact O-N 3.46Å; E880-I882 PolarHBondContact O-N 3.14Å; E880-S883 WeakPolarHBondContact O-CB 3.35Å; E880-S883 PolarHBondContact O-N 3.2Å; E880-M884 PolarHBondContact O-N 3.02Å |
| 881 | N | 97 | Very high | 96.7 | Very high | 91 Ų | 91 | 62.5 Ų | 62.5 | 49% | 0.487 | 31% | 0.31 | S | S | . | . | H | α-helix | trans | -65.5 | -18.5 | 173.4 | 177.9 | 76.2 | 0 | 0 | 0 | 114.2 | L877 I879 M884 | L877-N881 WeakPolarHBondContact O-CB 3.38Å; L877-N881 PolarHBondContact O-N 2.88Å; I879-N881 VanDerWaalsContact C-N 3.32Å; I879-N881 PolarHBondContact O-N 3.07Å; N881-M884 HydrophobicContact CB-CE 4.4Å |
| 882 | I | 97.7 | Very high | 96.5 | Very high | 8 Ų | 8 | 58 Ų | 58 | 4% | 0.041 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -92.6 | -37.6 | 173.1 | -69.3 | 176.7 | 0 | 0 | 0 | 110.9 | M805 S835 A836 L839 S878 I879 E880 M884 K885 F886 | M805-I882 HydrophobicContact SD-CD1 4.41Å; M805-I882 HydrophobicContact SD-CG2 3.84Å; S835-I882 WeakPolarHBondContact O-CD1 3.33Å; A836-I882 HydrophobicContact CB-CG2 3.87Å; L839-I882 HydrophobicContact CB-CD1 3.91Å; L839-I882 HydrophobicContact CD2-CD1 3.71Å; L839-I882 HydrophobicContact CG-CD1 4.37Å; S878-I882 WeakPolarHBondContact O-CG1 3.2Å; S878-I882 PolarHBondContact O-N 2.74Å; I879-I882 CarbonylContact O-C 3.53Å; I879-I882 WeakPolarHBondContact O-CA 3.44Å; I879-I882 PolarHBondContact O-N 2.6Å; E880-I882 PolarHBondContact O-N 3.14Å; I882-M884 VanDerWaalsContact C-N 3.31Å; I882-M884 PolarHBondContact O-N 3.35Å; I882-K885 WeakPolarHBondContact O-CB 3.36Å; I882-K885 PolarHBondContact O-N 3.17Å; I882-F886 HydrophobicContact CG2-CD2 3.82Å; I882-F886 HydrophobicContact CG2-CE2 3.59Å; I882-F886 WeakPolarHBondContact O-CD2 3.31Å; I882-F886 PolarHBondContact O-N 2.71Å; I882-F886 VanDerWaalsContact O-N 3.17Å |
| 883 | S | 97.6 | Very high | 96.2 | Very high | 21 Ų | 21 | 60.9 Ų | 60.9 | 15% | 0.147 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -49.6 | -53.3 | 168.7 | -168.8 | 0 | 0 | 0 | 0 | 110.1 | W808 I879 E880 K885 F886 D887 | W808-S883 WeakPolarHBondContact CH2-OG 3.15Å; I879-S883 PolarHBondContact O-N 2.97Å; E880-S883 WeakPolarHBondContact O-CB 3.35Å; E880-S883 PolarHBondContact O-N 3.2Å; S883-K885 PolarHBondContact O-N 3.43Å; S883-F886 CarbonylContact O-C 3.38Å; S883-F886 WeakPolarHBondContact O-CA 3.22Å; S883-F886 PolarHBondContact O-N 2.78Å; S883-D887 PolarHBondContact O-N 3.47Å; S883-D887 PolarHBondContact OG-OD2 3.31Å |
| 884 | M | 97.4 | Very high | 95.9 | Very high | 104 Ų | 104 | 59.9 Ų | 59.9 | 51% | 0.512 | 31% | 0.31 | S | S | . | . | H | α-helix | trans | -53.8 | -29.3 | 179.5 | -73 | -169.3 | -72.5 | 0 | 0 | 114.3 | E880 N881 I882 E888 | E880-M884 PolarHBondContact O-N 3.02Å; N881-M884 HydrophobicContact CB-CE 4.4Å; I882-M884 VanDerWaalsContact C-N 3.31Å; I882-M884 PolarHBondContact O-N 3.35Å; M884-E888 PolarHBondContact O-N 3.43Å; M884-E888 VanDerWaalsContact O-N 3.09Å |
| 885 | K | 96.9 | Very high | 95.6 | Very high | 57 Ų | 57 | 56.3 Ų | 56.3 | 25% | 0.248 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -76.4 | -42.6 | 174.7 | -57 | 178.3 | -175.1 | 179.4 | 0 | 112 | A832 S835 I882 S883 D887 E888 L889 | A832-K885 HydrophobicContact CB-CB 3.85Å; A832-K885 HydrophobicContact CB-CD 4.23Å; S835-K885 VanDerWaalsContact CB-NZ 3.35Å; S835-K885 PolarHBondContact OG-NZ 2.96Å; I882-K885 WeakPolarHBondContact O-CB 3.36Å; I882-K885 PolarHBondContact O-N 3.17Å; S883-K885 PolarHBondContact O-N 3.43Å; K885-D887 VanDerWaalsContact C-N 3.31Å; K885-E888 WeakPolarHBondContact O-CB 3.34Å; K885-E888 PolarHBondContact O-N 3Å; K885-L889 WeakPolarHBondContact O-CG 3.39Å; K885-L889 PolarHBondContact O-N 3.36Å |
| 886 | F | 97.4 | Very high | 95.2 | Very high | 0 Ų | 0 | 62 Ų | 62 | 0% | 0 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -64.9 | -37.9 | 173.2 | -75.4 | -69.7 | 0 | 0 | 0 | 110.9 | W808 M812 A832 V833 A836 I882 S883 E888 L889 H890 | W808-F886 HydrophobicContact CB-CD1 3.85Å; W808-F886 HydrophobicContact CB-CD2 4.13Å; W808-F886 HydrophobicContact CB-CE1 3.78Å; W808-F886 HydrophobicContact CB-CE2 4.05Å; W808-F886 HydrophobicContact CB-CG 4.03Å; W808-F886 HydrophobicContact CB-CZ 3.88Å; W808-F886 HydrophobicContact CD2-CB 4.4Å; W808-F886 HydrophobicContact CD2-CD2 4.14Å; W808-F886 HydrophobicContact CD2-CG 4.26Å; W808-F886 HydrophobicContact CE3-CB 4.3Å; W808-F886 AromaticContact CE3-CD2 3.48Å; W808-F886 HydrophobicContact CE3-CD2 3.48Å; W808-F886 VanDerWaalsContact CE3-CD2 3.48Å; W808-F886 AromaticContact CE3-CE2 3.97Å; W808-F886 HydrophobicContact CE3-CE2 3.97Å; W808-F886 HydrophobicContact CE3-CG 4.02Å; W808-F886 HydrophobicContact CG-CD2 4.47Å; W808-F886 HydrophobicContact CG-CG 4.34Å; W808-F886 HydrophobicContact CZ3-CD2 4.11Å; W808-F886 WeakPolarHBondContact O-CE1 3.5Å; M812-F886 HydrophobicContact CB-CE1 4.23Å; M812-F886 HydrophobicContact CG-CD1 3.66Å; M812-F886 HydrophobicContact CG-CE1 3.65Å; A832-F886 HydrophobicContact CB-CE1 4.31Å; A832-F886 HydrophobicContact CB-CZ 4.36Å; V833-F886 HydrophobicContact CG2-CE1 4.16Å; V833-F886 HydrophobicContact CG2-CZ 4.32Å; A836-F886 HydrophobicContact CB-CE2 3.9Å; A836-F886 HydrophobicContact CB-CZ 4.12Å; I882-F886 HydrophobicContact CG2-CD2 3.82Å; I882-F886 HydrophobicContact CG2-CE2 3.59Å; I882-F886 WeakPolarHBondContact O-CD2 3.31Å; I882-F886 PolarHBondContact O-N 2.71Å; I882-F886 VanDerWaalsContact O-N 3.17Å; S883-F886 CarbonylContact O-C 3.38Å; S883-F886 WeakPolarHBondContact O-CA 3.22Å; S883-F886 PolarHBondContact O-N 2.78Å; F886-E888 VanDerWaalsContact C-N 3.34Å; F886-E888 PolarHBondContact O-N 2.94Å; F886-L889 HydrophobicContact CD1-CD1 4.34Å; F886-L889 CarbonylContact O-C 3.56Å; F886-L889 WeakPolarHBondContact O-CB 3.48Å; F886-L889 PolarHBondContact O-N 2.69Å; F886-L889 VanDerWaalsContact O-N 3.11Å; F886-H890 WeakPolarHBondContact O-CB 3.5Å; F886-H890 PolarHBondContact O-N 3.08Å; F886-H890 PolarHBondContact O-ND1 3.15Å |
| 887 | D | 96.8 | Very high | 94.8 | Very high | 65 Ų | 65 | 60.1 Ų | 60.1 | 35% | 0.348 | 31% | 0.314 | S | S | . | . | H | α-helix | trans | -62.8 | -37.4 | 174 | -62.5 | -43.7 | 0 | 0 | 0 | 111.9 | S883 K885 Q891 | S883-D887 PolarHBondContact O-N 3.47Å; S883-D887 PolarHBondContact OG-OD2 3.31Å; K885-D887 VanDerWaalsContact C-N 3.31Å; D887-Q891 WeakPolarHBondContact O-CB 3.4Å; D887-Q891 VanDerWaalsContact O-CG 3.3Å; D887-Q891 WeakPolarHBondContact O-CG 3.07Å; D887-Q891 PolarHBondContact O-N 3.24Å; D887-Q891 PolarHBondContact O-NE2 3.16Å |
| 888 | E | 95.7 | Very high | 94 | Very high | 84 Ų | 84 | 62 Ų | 62 | 39% | 0.393 | 32% | 0.318 | S | S | . | . | H | α-helix | trans | -63.5 | -44 | 169.6 | -166.9 | -169.4 | 160 | 0 | 0 | 111.7 | K828 M884 K885 F886 Q891 L892 | K828-E888 WeakPolarHBondContact CE-OE1 3.38Å; K828-E888 IonicContact NZ-OE1 2.85Å; K828-E888 PolarHBondContact NZ-OE1 2.8Å; M884-E888 PolarHBondContact O-N 3.43Å; M884-E888 VanDerWaalsContact O-N 3.09Å; K885-E888 WeakPolarHBondContact O-CB 3.34Å; K885-E888 PolarHBondContact O-N 3Å; F886-E888 VanDerWaalsContact C-N 3.34Å; F886-E888 PolarHBondContact O-N 2.94Å; E888-Q891 PolarHBondContact O-N 3.35Å; E888-L892 HydrophobicContact CG-CD1 4.45Å; E888-L892 WeakPolarHBondContact O-CG 3.38Å; E888-L892 PolarHBondContact O-N 3.39Å |
| 889 | L | 95.4 | Very high | 92.8 | Very high | 2 Ų | 2 | 65 Ų | 65 | 1% | 0.01 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -66.4 | -39.3 | 178 | -69.9 | 170.4 | 0 | 0 | 0 | 112.8 | M812 K828 I829 A832 K885 F886 Q891 L892 K893 | M812-L889 HydrophobicContact CG-CD1 4.11Å; M812-L889 HydrophobicContact SD-CB 3.68Å; M812-L889 HydrophobicContact SD-CD1 4.08Å; M812-L889 HydrophobicContact SD-CG 4.42Å; K828-L889 HydrophobicContact CB-CD2 3.78Å; I829-L889 HydrophobicContact CG1-CD1 4.04Å; I829-L889 HydrophobicContact CG1-CD2 3.65Å; I829-L889 HydrophobicContact CG1-CG 4.47Å; A832-L889 HydrophobicContact CB-CD1 3.59Å; K885-L889 WeakPolarHBondContact O-CG 3.39Å; K885-L889 PolarHBondContact O-N 3.36Å; F886-L889 HydrophobicContact CD1-CD1 4.34Å; F886-L889 CarbonylContact O-C 3.56Å; F886-L889 WeakPolarHBondContact O-CB 3.48Å; F886-L889 PolarHBondContact O-N 2.69Å; F886-L889 VanDerWaalsContact O-N 3.11Å; L889-Q891 VanDerWaalsContact C-N 3.35Å; L889-L892 HydrophobicContact CD2-CD1 4.36Å; L889-L892 PolarHBondContact O-N 3.28Å; L889-K893 PolarHBondContact O-N 3.11Å |
| 890 | H | 95.1 | Very high | 90.8 | Very high | 63 Ų | 63 | 71.7 Ų | 71.7 | 29% | 0.292 | 36% | 0.359 | S | S | . | . | H | α-helix | trans | -64.5 | -38.2 | 173.9 | -66.5 | 136.1 | 0 | 0 | 0 | 111.6 | F886 K893 A894 | F886-H890 WeakPolarHBondContact O-CB 3.5Å; F886-H890 PolarHBondContact O-N 3.08Å; F886-H890 PolarHBondContact O-ND1 3.15Å; H890-K893 PolarHBondContact O-N 3.39Å; H890-A894 WeakPolarHBondContact O-CB 3.35Å; H890-A894 PolarHBondContact O-N 3.14Å |
| 891 | Q | 94.3 | Very high | 88.5 | Confident | 135 Ų | 135 | 73.2 Ų | 73.2 | 63% | 0.631 | 37% | 0.371 | S | S | * | . | H | α-helix | trans | -65 | -40.4 | 171.4 | -75.6 | 167.3 | 91.3 | 0 | 0 | 112.2 | D887 E888 L889 A894 N895 | D887-Q891 WeakPolarHBondContact O-CB 3.4Å; D887-Q891 VanDerWaalsContact O-CG 3.3Å; D887-Q891 WeakPolarHBondContact O-CG 3.07Å; D887-Q891 PolarHBondContact O-N 3.24Å; D887-Q891 PolarHBondContact O-NE2 3.16Å; E888-Q891 PolarHBondContact O-N 3.35Å; L889-Q891 VanDerWaalsContact C-N 3.35Å; Q891-A894 PolarHBondContact O-N 3.32Å; Q891-N895 WeakPolarHBondContact O-CB 3.02Å; Q891-N895 PolarHBondContact O-N 3.19Å |
| 892 | L | 91.8 | Very high | 86.4 | Confident | 12 Ų | 12 | 74.6 Ų | 74.6 | 6% | 0.063 | 39% | 0.385 | C | S | . | . | H | α-helix | trans | -64.6 | -42.6 | 174.3 | -71 | 167.8 | 0 | 0 | 0 | 111.7 | K828 E888 L889 N895 N896 W897 | K828-L892 HydrophobicContact CD-CD1 4.01Å; E888-L892 HydrophobicContact CG-CD1 4.45Å; E888-L892 WeakPolarHBondContact O-CG 3.38Å; E888-L892 PolarHBondContact O-N 3.39Å; L889-L892 HydrophobicContact CD2-CD1 4.36Å; L889-L892 PolarHBondContact O-N 3.28Å; L892-N895 CarbonylContact O-C 3.54Å; L892-N895 PolarHBondContact O-N 3.19Å; L892-N896 PolarHBondContact O-N 3.29Å; L892-W897 HydrophobicContact CB-CE3 4.14Å; L892-W897 HydrophobicContact CB-CZ3 4.36Å; L892-W897 VanDerWaalsContact O-CA 3.3Å; L892-W897 WeakPolarHBondContact O-CA 3.4Å; L892-W897 PolarHBondContact O-N 2.8Å |
| 893 | K | 90.1 | Very high | 83.9 | Confident | 81 Ų | 81 | 82.6 Ų | 82.6 | 35% | 0.352 | 42% | 0.422 | S | S | . | . | H | α-helix | trans | -58.6 | -48.3 | 172.9 | -175.7 | 176.8 | 173.7 | -179.1 | 0 | 111.3 | E815 L889 H890 N895 N896 W897 | E815-K893 HydrophobicContact CG-CD 4.42Å; E815-K893 VanDerWaalsContact OE1-CE 3.3Å; E815-K893 WeakPolarHBondContact OE1-CE 3.47Å; E815-K893 IonicContact OE1-NZ 2.66Å; E815-K893 PolarHBondContact OE1-NZ 3.18Å; E815-K893 IonicContact OE2-NZ 3.85Å; L889-K893 PolarHBondContact O-N 3.11Å; H890-K893 PolarHBondContact O-N 3.39Å; K893-N895 PolarHBondContact O-N 2.72Å; K893-N896 WeakPolarHBondContact O-CA 3.3Å; K893-N896 PolarHBondContact O-N 3.43Å; K893-W897 HydrophobicContact CB-CD2 4.45Å; K893-W897 HydrophobicContact CB-CE3 4.39Å; K893-W897 HydrophobicContact CB-CH2 3.65Å; K893-W897 HydrophobicContact CB-CZ2 3.66Å; K893-W897 HydrophobicContact CB-CZ3 4.02Å; K893-W897 HydrophobicContact CD-CH2 4.42Å; K893-W897 HydrophobicContact CD-CZ2 4.01Å; K893-W897 HydrophobicContact CG-CH2 4.12Å; K893-W897 HydrophobicContact CG-CZ2 3.63Å |
| 894 | A | 91.3 | Very high | 81.3 | Confident | 80 Ų | 80 | 88 Ų | 88 | 66% | 0.661 | 45% | 0.449 | S | S | * | . | H | α-helix | trans | -60.1 | -34 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112.5 | H890 Q891 N896 | H890-A894 WeakPolarHBondContact O-CB 3.35Å; H890-A894 PolarHBondContact O-N 3.14Å; Q891-A894 PolarHBondContact O-N 3.32Å; A894-N896 PolarHBondContact O-N 2.83Å; A894-N896 PolarHBondContact O-ND2 3.37Å |
| 895 | N | 90.9 | Very high | 78.6 | Confident | 53 Ų | 53 | 92.7 Ų | 92.7 | 28% | 0.283 | 47% | 0.467 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -82.5 | 22 | 172.2 | -159.8 | 36.1 | 0 | 0 | 0 | 113.8 | Q891 L892 K893 W897 K898 | Q891-N895 WeakPolarHBondContact O-CB 3.02Å; Q891-N895 PolarHBondContact O-N 3.19Å; L892-N895 CarbonylContact O-C 3.54Å; L892-N895 PolarHBondContact O-N 3.19Å; K893-N895 PolarHBondContact O-N 2.72Å; N895-W897 VanDerWaalsContact C-N 3.3Å; N895-W897 PolarHBondContact O-N 2.96Å; N895-K898 PolarHBondContact ND2-O 2.85Å; N895-K898 WeakPolarHBondContact O-CB 3.28Å; N895-K898 PolarHBondContact O-N 3.41Å; N895-K898 VanDerWaalsContact O-N 3.1Å |
| 896 | N | 88.3 | Confident | 76 | Confident | 129 Ų | 129 | 98.9 Ų | 98.9 | 69% | 0.69 | 49% | 0.494 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 55.1 | 42.7 | 179.4 | -66.2 | -111.9 | 0 | 0 | 0 | 112.7 | L892 K893 A894 K898 | L892-N896 PolarHBondContact O-N 3.29Å; K893-N896 WeakPolarHBondContact O-CA 3.3Å; K893-N896 PolarHBondContact O-N 3.43Å; A894-N896 PolarHBondContact O-N 2.83Å; A894-N896 PolarHBondContact O-ND2 3.37Å; N896-K898 PolarHBondContact O-N 3.48Å |
| 897 | W | 89.1 | Confident | 73.4 | Confident | 31 Ų | 31 | 106.5 Ų | 106.5 | 12% | 0.117 | 53% | 0.529 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 56.7 | 20 | -177.2 | -53.9 | 113.7 | 0 | 0 | 0 | 114.9 | M812 E815 L821 I825 I829 L892 K893 N895 | M812-W897 HydrophobicContact SD-CH2 4.37Å; E815-W897 HydrophobicContact CB-CH2 3.93Å; E815-W897 HydrophobicContact CB-CZ2 3.63Å; E815-W897 HydrophobicContact CG-CH2 3.92Å; E815-W897 HydrophobicContact CG-CZ2 3.63Å; L821-W897 HydrophobicContact CD1-CD2 4.42Å; L821-W897 HydrophobicContact CD1-CE3 4.47Å; L821-W897 HydrophobicContact CD1-CZ2 4.5Å; L821-W897 HydrophobicContact CD2-CB 3.79Å; L821-W897 VanDerWaalsContact CD2-CD1 3.44Å; L821-W897 HydrophobicContact CD2-CD2 3.47Å; L821-W897 VanDerWaalsContact CD2-CD2 3.47Å; L821-W897 HydrophobicContact CD2-CE3 4.15Å; L821-W897 HydrophobicContact CD2-CG 3.29Å; I825-W897 HydrophobicContact CD1-CB 4.16Å; I825-W897 HydrophobicContact CD1-CE3 4.39Å; I825-W897 WeakPolarHBondContact CD1-O 3.49Å; I825-W897 HydrophobicContact CG2-CE3 3.68Å; I825-W897 HydrophobicContact CG2-CZ3 3.9Å; I829-W897 HydrophobicContact CD1-CH2 4.48Å; I829-W897 HydrophobicContact CD1-CZ3 4.48Å; L892-W897 HydrophobicContact CB-CE3 4.14Å; L892-W897 HydrophobicContact CB-CZ3 4.36Å; L892-W897 VanDerWaalsContact O-CA 3.3Å; L892-W897 WeakPolarHBondContact O-CA 3.4Å; L892-W897 PolarHBondContact O-N 2.8Å; K893-W897 HydrophobicContact CB-CD2 4.45Å; K893-W897 HydrophobicContact CB-CE3 4.39Å; K893-W897 HydrophobicContact CB-CH2 3.65Å; K893-W897 HydrophobicContact CB-CZ2 3.66Å; K893-W897 HydrophobicContact CB-CZ3 4.02Å; K893-W897 HydrophobicContact CD-CH2 4.42Å; K893-W897 HydrophobicContact CD-CZ2 4.01Å; K893-W897 HydrophobicContact CG-CH2 4.12Å; K893-W897 HydrophobicContact CG-CZ2 3.63Å; N895-W897 VanDerWaalsContact C-N 3.3Å; N895-W897 PolarHBondContact O-N 2.96Å |
| 898 | K | 80.3 | Confident | 71 | Confident | 142 Ų | 142 | 114.9 Ų | 114.9 | 62% | 0.617 | 56% | 0.556 | S | S | * | * | | | trans | -84.7 | 127.6 | 167.6 | -63.8 | 173.9 | -174.8 | 173.7 | 0 | 107.7 | N895 N896 M900 | N895-K898 PolarHBondContact ND2-O 2.85Å; N895-K898 WeakPolarHBondContact O-CB 3.28Å; N895-K898 PolarHBondContact O-N 3.41Å; N895-K898 VanDerWaalsContact O-N 3.1Å; N896-K898 PolarHBondContact O-N 3.48Å; K898-M900 PolarHBondContact O-N 3.12Å |
| 899 | Q | 70.9 | Confident | 68.4 | Low | 108 Ų | 108 | 121.1 Ų | 121.1 | 51% | 0.505 | 58% | 0.576 | S | S | . | * | | | trans | -54.8 | 124.4 | 164.4 | -155.5 | 171.2 | 108.5 | 0 | 0 | 106.9 | D901 | Q899-D901 PolarHBondContact O-N 3.46Å; Q899-D901 VanDerWaalsContact O-N 3.08Å |
| 900 | M | 56.5 | Low | 66.4 | Low | 141 Ų | 141 | 127.2 Ų | 127.2 | 70% | 0.695 | 61% | 0.613 | S | S | * | * | | | trans | -64.1 | 113.1 | 162.2 | -95.5 | -167.8 | 172.7 | 0 | 0 | 105.7 | K898 | K898-M900 PolarHBondContact O-N 3.12Š|
| 901 | D | 48.8 | Very low | 64.1 | Low | 131 Ų | 131 | 129.4 Ų | 129.4 | 70% | 0.701 | 63% | 0.632 | S | S | * | * | | | trans | -44.9 | 139.5 | 150.2 | -88.5 | -54.9 | 0 | 0 | 0 | 107.3 | Q899 H903 | Q899-D901 PolarHBondContact O-N 3.46Å; Q899-D901 VanDerWaalsContact O-N 3.08Å; D901-H903 PolarHBondContact O-N 3.43Å |
| 902 | P | 52 | Low | 62.1 | Low | 120 Ų | 120 | 128.2 Ų | 128.2 | 78% | 0.779 | 64% | 0.637 | S | S | * | * | | | trans | -69.2 | 71.6 | 171.8 | 30 | -34.3 | 0 | 0 | 0 | 108.7 | D904 | P902-D904 PolarHBondContact O-N 2.96Å; P902-D904 VanDerWaalsContact O-N 3.09Å |
| 903 | H | 44.8 | Very low | 60.2 | Low | 175 Ų | 175 | 133.6 Ų | 133.6 | 81% | 0.81 | 67% | 0.672 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -54.1 | 115.1 | -163.1 | -163 | -21.9 | 0 | 0 | 0 | 108.1 | D901 K905 | D901-H903 PolarHBondContact O-N 3.43Å; H903-K905 PolarHBondContact O-N 3.36Å |
| 904 | D | 43.1 | Very low | 58.3 | Low | 135 Ų | 135 | 136 Ų | 136 | 72% | 0.722 | 69% | 0.694 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -25.3 | 104.3 | -158.8 | -85.5 | -57.3 | 0 | 0 | 0 | 112.1 | P902 K906 | P902-D904 PolarHBondContact O-N 2.96Å; P902-D904 VanDerWaalsContact O-N 3.09Å; D904-K906 HydrophobicContact CB-CG 4.48Å; D904-K906 PolarHBondContact O-N 3.37Å |
| 905 | K | 41.9 | Very low | 56.3 | Low | 203 Ų | 203 | 137.5 Ų | 137.5 | 88% | 0.883 | 70% | 0.696 | S | S | * | * | | | trans | -58.4 | 90.2 | 151.2 | -78.2 | -177.3 | -179.1 | 174.5 | 0 | 104.1 | H903 E907 | H903-K905 PolarHBondContact O-N 3.36Å; K905-E907 PolarHBondContact O-N 2.98Å |
| 906 | K | 42.2 | Very low | 54.3 | Low | 187 Ų | 187 | 144.8 Ų | 144.8 | 81% | 0.813 | 73% | 0.725 | S | S | * | * | | | trans | -56.6 | 91.5 | 167.5 | -83.2 | 178.6 | 177.1 | 168.1 | 0 | 104.4 | D904 R908 | D904-K906 HydrophobicContact CB-CG 4.48Å; D904-K906 PolarHBondContact O-N 3.37Å; K906-R908 WeakPolarHBondContact O-CA 3.15Å; K906-R908 PolarHBondContact O-N 3.1Å |
| 907 | E | 42.8 | Very low | 51.9 | Low | 159 Ų | 159 | 148 Ų | 148 | 74% | 0.743 | 73% | 0.734 | S | S | * | * | | | trans | -33.7 | 112.3 | 165.8 | 174.6 | -167.1 | -135.6 | 0 | 0 | 104.9 | K905 R909 | K905-E907 PolarHBondContact O-N 2.98Å; E907-R909 WeakPolarHBondContact O-CA 3.34Å; E907-R909 PolarHBondContact O-N 3.28Å |
| 908 | R | 45.3 | Very low | 49.4 | Very low | 241 Ų | 241 | 152.7 Ų | 152.7 | 91% | 0.909 | 77% | 0.768 | S | S | * | * | | | trans | -65.4 | 86.5 | -162.6 | -179.3 | -169.9 | 179.9 | -165.5 | 2.1 | 107.2 | K906 V910 | K906-R908 WeakPolarHBondContact O-CA 3.15Å; K906-R908 PolarHBondContact O-N 3.1Å; R908-V910 PolarHBondContact O-N 2.85Å |
| 909 | R | 42.3 | Very low | 47.7 | Very low | 216 Ų | 216 | 151.4 Ų | 151.4 | 82% | 0.815 | 78% | 0.777 | S | S | * | * | | | trans | -56.5 | 115.9 | -156.6 | -90.7 | -165 | 174.1 | -172.6 | 1 | 108.1 | E907 | E907-R909 WeakPolarHBondContact O-CA 3.34Å; E907-R909 PolarHBondContact O-N 3.28Å |
| 910 | V | 53.5 | Low | 46 | Very low | 129 Ų | 129 | 156.5 Ų | 156.5 | 78% | 0.782 | 80% | 0.797 | S | S | * | * | P | Polyproline II helix | trans | -49.3 | 126.4 | 169 | -179.7 | 0 | 0 | 0 | 0 | 106.1 | R908 | R908-V910 PolarHBondContact O-N 2.85Š|
| 911 | P | 45.3 | Very low | 44.8 | Very low | 109 Ų | 109 | 153.2 Ų | 153.2 | 71% | 0.708 | 80% | 0.799 | S | S | * | * | P | Polyproline II helix | trans | -50.8 | 130.6 | -174 | -30.7 | 36 | 0 | 0 | 0 | 110.8 | | |
| 912 | P | 52.7 | Low | 44 | Very low | 111 Ų | 111 | 156.5 Ų | 156.5 | 72% | 0.721 | 81% | 0.81 | S | S | * | * | P | Polyproline II helix | trans | -61 | 133.6 | -171.8 | 23.9 | -33.6 | 0 | 0 | 0 | 110.1 | V914 | P912-V914 PolarHBondContact O-N 3.34Å; P912-V914 VanDerWaalsContact O-N 3.16Å |
| 913 | P | 51.9 | Low | 43.2 | Very low | 125 Ų | 125 | 156.8 Ų | 156.8 | 81% | 0.812 | 81% | 0.81 | S | S | * | * | P | Polyproline II helix | trans | -54.6 | 123.3 | -179.8 | -27.9 | 35.1 | 0 | 0 | 0 | 111.5 | P915 | P913-P915 WeakPolarHBondContact O-CD 3.5Š|
| 914 | V | 51 | Low | 43 | Very low | 132 Ų | 132 | 153.5 Ų | 153.5 | 80% | 0.8 | 80% | 0.804 | S | S | * | * | P | Polyproline II helix | trans | -56.6 | 124.3 | -172.9 | -177.8 | 0 | 0 | 0 | 0 | 110.3 | P912 K916 | P912-V914 PolarHBondContact O-N 3.34Å; P912-V914 VanDerWaalsContact O-N 3.16Å; V914-K916 PolarHBondContact O-N 3.33Å |
| 915 | P | 49.9 | Very low | 42.9 | Very low | 111 Ų | 111 | 154.5 Ų | 154.5 | 72% | 0.721 | 81% | 0.808 | S | S | * | * | P | Polyproline II helix | trans | -59.9 | 122.3 | 177.5 | -25.3 | 34.9 | 0 | 0 | 0 | 111.5 | P913 K917 | P913-P915 WeakPolarHBondContact O-CD 3.5Å; P915-K917 PolarHBondContact O-N 2.86Å; P915-K917 VanDerWaalsContact O-N 3.15Å |
| 916 | K | 47.2 | Very low | 42.6 | Very low | 205 Ų | 205 | 152.4 Ų | 152.4 | 89% | 0.891 | 81% | 0.805 | S | S | * | * | P | Polyproline II helix | trans | -61.1 | 116.9 | 172.7 | -67 | -177.4 | 179.2 | -179.9 | 0 | 109 | V914 | V914-K916 PolarHBondContact O-N 3.33Š|
| 917 | K | 39 | Very low | 42.6 | Very low | 198 Ų | 198 | 153.8 Ų | 153.8 | 86% | 0.861 | 81% | 0.806 | S | S | * | * | P | Polyproline II helix | trans | -60.2 | 143.4 | 173.5 | -75.6 | -177 | 176.5 | 178 | 0 | 110.1 | P915 | P915-K917 PolarHBondContact O-N 2.86Å; P915-K917 VanDerWaalsContact O-N 3.15Å |
| 918 | P | 37.1 | Very low | 42.5 | Very low | 128 Ų | 128 | 153 Ų | 153 | 83% | 0.831 | 80% | 0.802 | S | S | * | * | P | Polyproline II helix | trans | -70.9 | 143.7 | -179.8 | 30 | -35.2 | 0 | 0 | 0 | 111.4 | | |
| 919 | S | 42.9 | Very low | 42.5 | Very low | 116 Ų | 116 | 153 Ų | 153 | 81% | 0.811 | 80% | 0.802 | S | S | * | * | P | Polyproline II helix | trans | -86.2 | 133.5 | 168.9 | 49.8 | 0 | 0 | 0 | 0 | 111.1 | | |
| 920 | K | 35 | Very low | 42.7 | Very low | 214 Ų | 214 | 147.2 Ų | 147.2 | 93% | 0.93 | 79% | 0.794 | S | S | * | * | | | trans | -168.6 | 125.6 | 159.1 | -111.5 | 166.3 | -175.4 | 179.1 | 0 | 107.9 | | |
| 921 | G | 32.9 | Very low | 42.5 | Very low | 72 Ų | 72 | 148.7 Ų | 148.7 | 74% | 0.742 | 80% | 0.797 | S | S | * | * | | | trans | 167.7 | 7.8 | -177.1 | 0 | 0 | 0 | 0 | 0 | 121.3 | | |
| 922 | Q | 31.3 | Very low | 42.5 | Very low | 200 Ų | 200 | 150.7 Ų | 150.7 | 94% | 0.935 | 80% | 0.797 | S | S | * | * | | | trans | 176.5 | 155.9 | 140.5 | -101.4 | 171.7 | 4.8 | 0 | 0 | 114.8 | | |
| 923 | V | 34.9 | Very low | 42.4 | Very low | 127 Ų | 127 | 149.2 Ų | 149.2 | 77% | 0.77 | 79% | 0.789 | S | S | * | * | | | trans | -144.4 | 138.7 | 168.7 | 167.8 | 0 | 0 | 0 | 0 | 102.5 | | |
| 924 | P | 41.1 | Very low | 42.5 | Very low | 106 Ų | 106 | 146.9 Ų | 146.9 | 69% | 0.688 | 78% | 0.776 | S | S | * | * | | | cis | -131.4 | 153.8 | 37.1 | 20.3 | 4.6 | 0 | 0 | 0 | 118.3 | | |
| 925 | L | 40.1 | Very low | 42.9 | Very low | 155 Ų | 155 | 147.2 Ų | 147.2 | 81% | 0.812 | 77% | 0.769 | S | S | * | * | | | | 34.9 | 117.8 | 129.5 | -47.7 | 167 | 0 | 0 | 0 | 119.2 | | |
| 926 | I | 35.8 | Very low | 43.4 | Very low | 160 Ų | 160 | 151.3 Ų | 151.3 | 82% | 0.821 | 77% | 0.77 | S | S | * | * | | | | 174.4 | 116.3 | 107 | -88.4 | 162.7 | 0 | 0 | 0 | 111.3 | | |
| 927 | R | 43.1 | Very low | 44.5 | Very low | 216 Ų | 216 | 148.5 Ų | 148.5 | 82% | 0.815 | 76% | 0.76 | S | S | * | * | | | trans | 66.1 | 170.1 | 148.1 | -129.7 | -179.1 | 166.9 | 106.2 | 1.9 | 121.6 | | |
| 928 | E | 40.2 | Very low | 46.1 | Very low | 142 Ų | 142 | 143 Ų | 143 | 66% | 0.664 | 74% | 0.737 | S | S | * | * | | | trans | 58.5 | 71.3 | 170.5 | -52.3 | -46.9 | 139.3 | 0 | 0 | 119.4 | | |
| 929 | R | 44.6 | Very low | 47.7 | Very low | 242 Ų | 242 | 139.6 Ų | 139.6 | 91% | 0.913 | 72% | 0.719 | S | S | * | * | | | trans | -142.9 | 98.8 | 150.7 | -68.1 | -166.7 | -167 | -178.2 | 4.8 | 111.6 | | |
| 930 | S | 47 | Very low | 49.2 | Very low | 94 Ų | 94 | 142.8 Ų | 142.8 | 66% | 0.657 | 71% | 0.714 | S | S | * | * | | | trans | -132.4 | -14.4 | 174.6 | -157.9 | 0 | 0 | 0 | 0 | 114.4 | | |
| 931 | L | 49.2 | Very low | 51.4 | Low | 159 Ų | 159 | 140.5 Ų | 140.5 | 83% | 0.832 | 70% | 0.704 | S | S | * | * | H | α-helix | trans | -84.4 | -28.2 | -169.8 | -74.4 | 162.2 | 0 | 0 | 0 | 114.9 | | |
| 932 | E | 45.1 | Very low | 53.6 | Low | 151 Ų | 151 | 144.1 Ų | 144.1 | 71% | 0.706 | 70% | 0.695 | S | S | * | * | H | α-helix | trans | -86.5 | -21.6 | -166 | -163.1 | 169 | -162.9 | 0 | 0 | 114.5 | | |
| 933 | S | 51.6 | Low | 55.9 | Low | 80 Ų | 80 | 140.6 Ų | 140.6 | 56% | 0.559 | 68% | 0.682 | S | S | * | * | H | α-helix | trans | -67.2 | -43.9 | 172.2 | 49.1 | 0 | 0 | 0 | 0 | 111.6 | R936 Q937 | S933-R936 PolarHBondContact O-N 3.41Å; S933-Q937 PolarHBondContact O-N 3.15Å; S933-Q937 VanDerWaalsContact O-N 3.15Å |
| 934 | S | 53.4 | Low | 57.8 | Low | 76 Ų | 76 | 140.5 Ų | 140.5 | 53% | 0.531 | 68% | 0.675 | S | S | . | * | H | α-helix | trans | -57.5 | -52.3 | -178.7 | -173.5 | 0 | 0 | 0 | 0 | 111.6 | R936 Q937 E938 | S934-R936 VanDerWaalsContact C-N 3.29Å; S934-R936 PolarHBondContact O-N 2.95Å; S934-Q937 PolarHBondContact O-N 3.26Å; S934-Q937 VanDerWaalsContact O-N 3.08Å; S934-E938 WeakPolarHBondContact O-CB 3.49Å; S934-E938 PolarHBondContact O-N 2.68Å |
| 935 | Q | 58.6 | Low | 59.5 | Low | 139 Ų | 139 | 138.1 Ų | 138.1 | 65% | 0.65 | 66% | 0.664 | S | S | * | * | H | α-helix | trans | -59.6 | -37.2 | -177.5 | -164.7 | 176.8 | 17 | 0 | 0 | 112.7 | A939 | Q935-A939 WeakPolarHBondContact O-CB 3.28Å; Q935-A939 PolarHBondContact O-N 3.46Å |
| 936 | R | 61.3 | Low | 61.1 | Low | 197 Ų | 197 | 133.6 Ų | 133.6 | 74% | 0.743 | 65% | 0.649 | S | S | * | * | H | α-helix | trans | -72.1 | -32.5 | 178.1 | -159.8 | 175.3 | -162.6 | 170.8 | 7.3 | 113 | S933 S934 R940 | S933-R936 PolarHBondContact O-N 3.41Å; S934-R936 VanDerWaalsContact C-N 3.29Å; S934-R936 PolarHBondContact O-N 2.95Å; R936-R940 PolarHBondContact O-N 3.25Å |
| 937 | Q | 69.5 | Low | 63 | Low | 146 Ų | 146 | 133.5 Ų | 133.5 | 68% | 0.682 | 64% | 0.643 | S | S | * | * | H | α-helix | trans | -80.1 | -35.5 | 177.6 | -160 | 162.5 | -1.4 | 0 | 0 | 111.3 | S933 S934 R940 K941 | S933-Q937 PolarHBondContact O-N 3.15Å; S933-Q937 VanDerWaalsContact O-N 3.15Å; S934-Q937 PolarHBondContact O-N 3.26Å; S934-Q937 VanDerWaalsContact O-N 3.08Å; Q937-R940 PolarHBondContact O-N 3.16Å; Q937-K941 PolarHBondContact O-N 3.01Å |
| 938 | E | 72.8 | Confident | 64.3 | Low | 84 Ų | 84 | 132.5 Ų | 132.5 | 39% | 0.393 | 64% | 0.639 | S | S | . | * | H | α-helix | trans | -67 | -40.3 | 172.4 | -159.7 | -166.1 | -162.2 | 0 | 0 | 111.8 | S934 R940 K941 R942 | S934-E938 WeakPolarHBondContact O-CB 3.49Å; S934-E938 PolarHBondContact O-N 2.68Å; E938-R940 VanDerWaalsContact C-N 3.33Å; E938-R940 PolarHBondContact O-N 3.2Å; E938-K941 CarbonylContact O-C 3.59Å; E938-K941 PolarHBondContact O-N 2.93Å; E938-K941 VanDerWaalsContact O-N 3.12Å; E938-R942 VanDerWaalsContact CD-CZ 3.41Å; E938-R942 PolarHBondContact O-N 3.42Å; E938-R942 IonicContact OE1-CZ 2.71Å; E938-R942 IonicContact OE1-NH1 3.23Å; E938-R942 PolarHBondContact OE1-NH1 3.43Å; E938-R942 IonicContact OE1-NH2 2.74Å; E938-R942 PolarHBondContact OE1-NH2 2.87Å; E938-R942 IonicContact OE2-CZ 3.4Å; E938-R942 IonicContact OE2-NH1 2.65Å; E938-R942 PolarHBondContact OE2-NH1 3.19Å; E938-R942 IonicContact OE2-NH2 2.72Å; E938-R942 PolarHBondContact OE2-NH2 3.25Å |
| 939 | A | 71.4 | Confident | 65.6 | Low | 55 Ų | 55 | 128.4 Ų | 128.4 | 46% | 0.455 | 63% | 0.629 | S | S | . | * | H | α-helix | trans | -58.7 | -42.5 | 172.1 | 0 | 0 | 0 | 0 | 0 | 112.2 | Q935 R942 L943 | Q935-A939 WeakPolarHBondContact O-CB 3.28Å; Q935-A939 PolarHBondContact O-N 3.46Å; A939-R942 PolarHBondContact O-N 3.45Å; A939-L943 PolarHBondContact O-N 3.23Å |
| 940 | R | 75.5 | Confident | 66.4 | Low | 183 Ų | 183 | 119.5 Ų | 119.5 | 69% | 0.691 | 61% | 0.608 | S | S | * | * | H | α-helix | trans | -63.7 | -39.7 | 172.6 | -75.2 | 177.4 | 167.2 | -172.7 | -5.7 | 112.2 | R936 Q937 E938 L943 M944 | R936-R940 PolarHBondContact O-N 3.25Å; Q937-R940 PolarHBondContact O-N 3.16Å; E938-R940 VanDerWaalsContact C-N 3.33Å; E938-R940 PolarHBondContact O-N 3.2Å; R940-L943 PolarHBondContact O-N 2.92Å; R940-M944 WeakPolarHBondContact O-CG 3.5Å; R940-M944 PolarHBondContact O-N 3.32Å; R940-M944 VanDerWaalsContact O-N 3.1Å |
| 941 | K | 79.6 | Confident | 67.1 | Low | 167 Ų | 167 | 117.9 Ų | 117.9 | 73% | 0.726 | 60% | 0.596 | S | S | * | * | H | α-helix | trans | -66.7 | -40.5 | 176.7 | -161.3 | 173 | -175.5 | 177.5 | 0 | 111.9 | Q937 E938 M944 A945 | Q937-K941 PolarHBondContact O-N 3.01Å; E938-K941 CarbonylContact O-C 3.59Å; E938-K941 PolarHBondContact O-N 2.93Å; E938-K941 VanDerWaalsContact O-N 3.12Å; K941-M944 PolarHBondContact O-N 3.04Å; K941-A945 WeakPolarHBondContact O-CB 3.33Å; K941-A945 PolarHBondContact O-N 3.41Å |
| 942 | R | 78.7 | Confident | 67.5 | Low | 148 Ų | 148 | 115.2 Ų | 115.2 | 56% | 0.558 | 59% | 0.586 | S | S | * | * | H | α-helix | trans | -61.3 | -44.7 | 172.4 | -75.2 | -170.4 | 178.6 | 93.3 | 14 | 111.9 | E938 A939 M944 A945 A946 | E938-R942 VanDerWaalsContact CD-CZ 3.41Å; E938-R942 PolarHBondContact O-N 3.42Å; E938-R942 IonicContact OE1-CZ 2.71Å; E938-R942 IonicContact OE1-NH1 3.23Å; E938-R942 PolarHBondContact OE1-NH1 3.43Å; E938-R942 IonicContact OE1-NH2 2.74Å; E938-R942 PolarHBondContact OE1-NH2 2.87Å; E938-R942 IonicContact OE2-CZ 3.4Å; E938-R942 IonicContact OE2-NH1 2.65Å; E938-R942 PolarHBondContact OE2-NH1 3.19Å; E938-R942 IonicContact OE2-NH2 2.72Å; E938-R942 PolarHBondContact OE2-NH2 3.25Å; A939-R942 PolarHBondContact O-N 3.45Å; R942-M944 PolarHBondContact O-N 3.36Å; R942-A945 PolarHBondContact O-N 2.9Å; R942-A946 WeakPolarHBondContact O-CB 3.5Å; R942-A946 PolarHBondContact O-N 3.2Å |
| 943 | L | 80.8 | Confident | 68.1 | Low | 126 Ų | 126 | 117.8 Ų | 117.8 | 66% | 0.66 | 59% | 0.589 | S | S | * | * | H | α-helix | trans | -61 | -44.4 | 177.8 | -176.5 | 62.8 | 0 | 0 | 0 | 112.1 | A939 R940 A946 K947 | A939-L943 PolarHBondContact O-N 3.23Å; R940-L943 PolarHBondContact O-N 2.92Å; L943-A946 PolarHBondContact O-N 3.29Å; L943-K947 WeakPolarHBondContact O-CB 3.42Å; L943-K947 PolarHBondContact O-N 3.47Å |
| 944 | M | 74.9 | Confident | 68.3 | Low | 124 Ų | 124 | 121.1 Ų | 121.1 | 61% | 0.611 | 60% | 0.596 | S | S | * | * | H | α-helix | trans | -68.5 | -35.2 | 177.1 | -66.6 | -66.7 | -81.2 | 0 | 0 | 112.6 | R940 K941 R942 R948 | R940-M944 WeakPolarHBondContact O-CG 3.5Å; R940-M944 PolarHBondContact O-N 3.32Å; R940-M944 VanDerWaalsContact O-N 3.1Å; K941-M944 PolarHBondContact O-N 3.04Å; R942-M944 PolarHBondContact O-N 3.36Å; M944-R948 PolarHBondContact O-N 2.95Å |
| 945 | A | 76.6 | Confident | 68.2 | Low | 57 Ų | 57 | 123 Ų | 123 | 47% | 0.471 | 60% | 0.601 | S | S | . | * | H | α-helix | trans | -67.3 | -43.9 | 173.8 | 0 | 0 | 0 | 0 | 0 | 112.1 | K941 R942 K947 R948 A949 | K941-A945 WeakPolarHBondContact O-CB 3.33Å; K941-A945 PolarHBondContact O-N 3.41Å; R942-A945 PolarHBondContact O-N 2.9Å; A945-K947 VanDerWaalsContact C-N 3.34Å; A945-K947 PolarHBondContact O-N 3.49Å; A945-R948 PolarHBondContact O-N 3.18Å; A945-A949 PolarHBondContact O-N 2.92Å |
| 946 | A | 74.4 | Confident | 67.9 | Low | 59 Ų | 59 | 120.6 Ų | 120.6 | 49% | 0.488 | 60% | 0.599 | S | S | . | * | H | α-helix | trans | -61 | -41.3 | 174.8 | 0 | 0 | 0 | 0 | 0 | 111.7 | R942 L943 R948 A949 A950 | R942-A946 WeakPolarHBondContact O-CB 3.5Å; R942-A946 PolarHBondContact O-N 3.2Å; L943-A946 PolarHBondContact O-N 3.29Å; A946-R948 VanDerWaalsContact C-N 3.34Å; A946-R948 PolarHBondContact O-N 3.37Å; A946-A949 PolarHBondContact O-N 2.87Å; A946-A950 PolarHBondContact O-N 3.47Å |
| 947 | K | 75.1 | Confident | 67.4 | Low | 159 Ų | 159 | 114.6 Ų | 114.6 | 69% | 0.691 | 59% | 0.591 | S | S | * | * | H | α-helix | trans | -61.9 | -38.4 | 176 | -169.4 | 170.6 | -177.5 | 176 | 0 | 112.7 | L943 A945 S951 | L943-K947 WeakPolarHBondContact O-CB 3.42Å; L943-K947 PolarHBondContact O-N 3.47Å; A945-K947 VanDerWaalsContact C-N 3.34Å; A945-K947 PolarHBondContact O-N 3.49Å; K947-S951 PolarHBondContact O-N 3.2Å |
| 948 | R | 70.6 | Confident | 66.4 | Low | 194 Ų | 194 | 110.6 Ų | 110.6 | 73% | 0.732 | 58% | 0.577 | S | S | * | * | H | α-helix | trans | -67.3 | -44.7 | 171.6 | -72.4 | -178.2 | -179.7 | 162.8 | -1 | 112.1 | M944 A945 A946 A950 S951 V952 | M944-R948 PolarHBondContact O-N 2.95Å; A945-R948 PolarHBondContact O-N 3.18Å; A946-R948 VanDerWaalsContact C-N 3.34Å; A946-R948 PolarHBondContact O-N 3.37Å; R948-A950 VanDerWaalsContact C-N 3.29Å; R948-A950 PolarHBondContact O-N 3.09Å; R948-S951 PolarHBondContact O-N 3.12Å; R948-V952 WeakPolarHBondContact O-CG2 3.42Å; R948-V952 PolarHBondContact O-N 3.12Å |
| 949 | A | 66.4 | Low | 65.3 | Low | 56 Ų | 56 | 115.6 Ų | 115.6 | 46% | 0.463 | 60% | 0.6 | S | S | . | * | H | α-helix | trans | -64.6 | -30.4 | -180 | 0 | 0 | 0 | 0 | 0 | 113.4 | A945 A946 | A945-A949 PolarHBondContact O-N 2.92Å; A946-A949 PolarHBondContact O-N 2.87Å |
| 950 | A | 62 | Low | 64.3 | Low | 56 Ų | 56 | 118 Ų | 118 | 46% | 0.463 | 61% | 0.614 | S | S | . | * | H | α-helix | trans | -69.6 | -47.4 | 171.5 | 0 | 0 | 0 | 0 | 0 | 111.8 | A946 R948 V952 R953 Q954 | A946-A950 PolarHBondContact O-N 3.47Å; R948-A950 VanDerWaalsContact C-N 3.29Å; R948-A950 PolarHBondContact O-N 3.09Å; A950-V952 PolarHBondContact O-N 2.84Å; A950-R953 WeakPolarHBondContact O-CB 3.41Å; A950-R953 PolarHBondContact O-N 2.94Å; A950-Q954 PolarHBondContact O-N 3.23Å |
| 951 | S | 61 | Low | 63 | Low | 60 Ų | 60 | 113.1 Ų | 113.1 | 42% | 0.42 | 61% | 0.613 | S | S | . | * | H | α-helix | trans | -58.8 | -43.3 | 177.4 | 170.4 | 0 | 0 | 0 | 0 | 112.5 | K947 R948 R953 Q954 N955 | K947-S951 PolarHBondContact O-N 3.2Å; R948-S951 PolarHBondContact O-N 3.12Å; S951-R953 PolarHBondContact O-N 3.02Å; S951-R953 VanDerWaalsContact O-N 3.12Å; S951-Q954 PolarHBondContact O-N 3.03Å; S951-N955 PolarHBondContact O-N 2.73Å; S951-N955 PolarHBondContact O-OD1 3.05Å |
| 952 | V | 58.7 | Low | 61.5 | Low | 102 Ų | 102 | 112.1 Ų | 112.1 | 62% | 0.618 | 61% | 0.611 | S | S | * | * | H | α-helix | trans | -59.3 | -25.8 | 176.4 | 171.7 | 0 | 0 | 0 | 0 | 112.8 | R948 A950 | R948-V952 WeakPolarHBondContact O-CG2 3.42Å; R948-V952 PolarHBondContact O-N 3.12Å; A950-V952 PolarHBondContact O-N 2.84Å |
| 953 | R | 57.8 | Low | 59.9 | Low | 205 Ų | 205 | 110.2 Ų | 110.2 | 77% | 0.774 | 62% | 0.62 | S | S | * | * | H | α-helix | trans | -84.8 | -15.7 | 177.3 | -70.3 | -179.1 | 178.3 | -139 | -1.8 | 114.6 | A950 S951 | A950-R953 WeakPolarHBondContact O-CB 3.41Å; A950-R953 PolarHBondContact O-N 2.94Å; S951-R953 PolarHBondContact O-N 3.02Å; S951-R953 VanDerWaalsContact O-N 3.12Å |
| 954 | Q | 54.7 | Low | 58.4 | Low | 150 Ų | 150 | 111.3 Ų | 111.3 | 70% | 0.701 | 63% | 0.625 | S | S | * | * | H | α-helix | trans | -84 | -43.2 | 170.6 | -70.6 | -171.4 | -82.6 | 0 | 0 | 110.7 | A950 S951 S956 A957 | A950-Q954 PolarHBondContact O-N 3.23Å; S951-Q954 PolarHBondContact O-N 3.03Å; Q954-S956 PolarHBondContact O-N 2.91Å; Q954-S956 VanDerWaalsContact O-N 3.12Å; Q954-A957 WeakPolarHBondContact O-CB 3.24Å; Q954-A957 PolarHBondContact O-N 2.82Å |
| 955 | N | 51.2 | Low | 57.1 | Low | 117 Ų | 117 | 114.6 Ų | 114.6 | 63% | 0.626 | 64% | 0.639 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -66 | -12.6 | -179 | -71.8 | 67.8 | 0 | 0 | 0 | 114.8 | S951 | S951-N955 PolarHBondContact O-N 2.73Å; S951-N955 PolarHBondContact O-OD1 3.05Å |
| 956 | S | 52 | Low | 55.6 | Low | 87 Ų | 87 | 119 Ų | 119 | 61% | 0.608 | 65% | 0.653 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -95.4 | 11.3 | 177.2 | 63.8 | 0 | 0 | 0 | 0 | 114 | Q954 | Q954-S956 PolarHBondContact O-N 2.91Å; Q954-S956 VanDerWaalsContact O-N 3.12Å |
| 957 | A | 51.5 | Low | 54.1 | Low | 71 Ų | 71 | 125.9 Ų | 125.9 | 59% | 0.587 | 67% | 0.668 | S | S | * | * | S | Bend | trans | -109 | -7.2 | -175.5 | 0 | 0 | 0 | 0 | 0 | 114.4 | Q954 | Q954-A957 WeakPolarHBondContact O-CB 3.24Å; Q954-A957 PolarHBondContact O-N 2.82Å |
| 958 | T | 49.4 | Very low | 52.7 | Low | 63 Ų | 63 | 125 Ų | 125 | 39% | 0.387 | 67% | 0.669 | S | S | . | * | S | Bend | trans | -111.6 | -16.5 | -172.3 | 59.2 | 0 | 0 | 0 | 0 | 114.3 | E476 S960 | E476-T958 VanDerWaalsContact OE1-CB 3.26Å; E476-T958 WeakPolarHBondContact OE1-CB 3.26Å; E476-T958 PolarHBondContact OE1-OG1 3.04Å; E476-T958 WeakPolarHBondContact OE2-CG2 3.42Å; T958-S960 PolarHBondContact O-N 3.06Å |
| 959 | E | 49 | Very low | 51.6 | Low | 188 Ų | 188 | 120.7 Ų | 120.7 | 88% | 0.879 | 67% | 0.666 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -71.8 | 4.7 | -175.6 | -151.2 | -174.5 | 156 | 0 | 0 | 115.3 | | |
| 960 | S | 50.3 | Low | 50.5 | Low | 105 Ų | 105 | 126.3 Ų | 126.3 | 73% | 0.734 | 68% | 0.683 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -121.3 | 7.9 | -170.7 | 57.6 | 0 | 0 | 0 | 0 | 115.7 | T958 | T958-S960 PolarHBondContact O-N 3.06Š|
| 961 | A | 48.7 | Very low | 49.5 | Very low | 82 Ų | 82 | 128 Ų | 128 | 68% | 0.678 | 70% | 0.697 | S | S | * | * | | | trans | -97.8 | -22.3 | -177.8 | 0 | 0 | 0 | 0 | 0 | 114.9 | S963 | A961-S963 PolarHBondContact O-N 3.45Š|
| 962 | E | 47.1 | Very low | 48.5 | Very low | 146 Ų | 146 | 132.6 Ų | 132.6 | 68% | 0.682 | 71% | 0.712 | S | S | * | * | | | trans | -89 | 68.9 | -169.1 | -167.8 | 158.4 | -151 | 0 | 0 | 113.1 | | |
| 963 | S | 45.9 | Very low | 47.9 | Very low | 107 Ų | 107 | 134.3 Ų | 134.3 | 75% | 0.748 | 72% | 0.723 | S | S | * | * | | | trans | -157.7 | 63 | 170.7 | 46.4 | 0 | 0 | 0 | 0 | 113.6 | A961 | A961-S963 PolarHBondContact O-N 3.45Š|
| 964 | I | 49.4 | Very low | 47.6 | Very low | 150 Ų | 150 | 134.1 Ų | 134.1 | 77% | 0.769 | 72% | 0.722 | S | S | * | * | | | trans | -125.5 | 111.8 | 169.2 | -58.6 | -178 | 0 | 0 | 0 | 110.2 | | |
| 965 | E | 47.5 | Very low | 46.9 | Very low | 193 Ų | 193 | 138.8 Ų | 138.8 | 90% | 0.902 | 75% | 0.751 | S | S | * | * | | | trans | -80.4 | 118.1 | 179 | -173.3 | 173.2 | -140.3 | 0 | 0 | 110.5 | Y967 | E965-Y967 PolarHBondContact O-N 3.48Š|
| 966 | I | 45.1 | Very low | 46.7 | Very low | 149 Ų | 149 | 139.9 Ų | 139.9 | 76% | 0.764 | 76% | 0.757 | S | S | * | * | | | trans | -91.6 | 104.5 | -175.9 | -58.6 | -179.9 | 0 | 0 | 0 | 110.6 | I968 | I966-I968 PolarHBondContact O-N 3.43Š|
| 967 | Y | 42.2 | Very low | 46.5 | Very low | 203 Ų | 203 | 142.7 Ų | 142.7 | 80% | 0.796 | 77% | 0.765 | S | S | * | * | P | Polyproline II helix | trans | -70 | 121.8 | 172.6 | -179.1 | -96.7 | 0 | 0 | 0 | 111.6 | E965 P969 | E965-Y967 PolarHBondContact O-N 3.48Å; Y967-P969 WeakPolarHBondContact O-CD 3.5Å |
| 968 | I | 46.1 | Very low | 46.2 | Very low | 141 Ų | 141 | 146.7 Ų | 146.7 | 72% | 0.723 | 78% | 0.775 | S | S | * | * | P | Polyproline II helix | trans | -88.1 | 121.4 | 175.7 | -58.4 | 176.1 | 0 | 0 | 0 | 109.1 | I966 E970 | I966-I968 PolarHBondContact O-N 3.43Å; I968-E970 PolarHBondContact O-N 3.1Å |
| 969 | P | 47.2 | Very low | 46 | Very low | 104 Ų | 104 | 151.6 Ų | 151.6 | 68% | 0.675 | 80% | 0.797 | S | S | * | * | P | Polyproline II helix | trans | -67.3 | 117.8 | 173.8 | -19.6 | 33.3 | 0 | 0 | 0 | 111.4 | Y967 A971 | Y967-P969 WeakPolarHBondContact O-CD 3.5Å; P969-A971 PolarHBondContact O-N 3.36Å |
| 970 | E | 43.3 | Very low | 45.8 | Very low | 173 Ų | 173 | 149.3 Ų | 149.3 | 81% | 0.808 | 79% | 0.792 | S | S | * | * | P | Polyproline II helix | trans | -67.1 | 125.6 | 177 | -172.2 | 175 | -136.3 | 0 | 0 | 110.8 | I968 Q972 | I968-E970 PolarHBondContact O-N 3.1Å; E970-Q972 PolarHBondContact O-N 3.25Å; E970-Q972 VanDerWaalsContact O-N 3.1Å |
| 971 | A | 40.6 | Very low | 45.5 | Very low | 91 Ų | 91 | 152.3 Ų | 152.3 | 75% | 0.752 | 80% | 0.796 | S | S | * | * | | | trans | -73.1 | 102.9 | 179.5 | 0 | 0 | 0 | 0 | 0 | 110.3 | P969 T973 | P969-A971 PolarHBondContact O-N 3.36Å; A971-T973 PolarHBondContact O-N 2.94Å |
| 972 | Q | 41.2 | Very low | 45.3 | Very low | 157 Ų | 157 | 157.3 Ų | 157.3 | 73% | 0.734 | 81% | 0.805 | S | S | * | * | | | trans | -64.8 | 101 | 179.3 | -77.8 | -168.9 | -14.7 | 0 | 0 | 112.2 | E970 R974 | E970-Q972 PolarHBondContact O-N 3.25Å; E970-Q972 VanDerWaalsContact O-N 3.1Å; Q972-R974 PolarHBondContact O-N 2.71Å |
| 973 | T | 46.6 | Very low | 45.1 | Very low | 139 Ų | 139 | 158.2 Ų | 158.2 | 85% | 0.853 | 81% | 0.814 | S | S | * | * | | | trans | -64.3 | 116.6 | 152.3 | 41 | 0 | 0 | 0 | 0 | 108.9 | A971 | A971-T973 PolarHBondContact O-N 2.94Š|
| 974 | R | 50.6 | Low | 45 | Very low | 200 Ų | 200 | 162.4 Ų | 162.4 | 76% | 0.755 | 82% | 0.82 | S | S | * | * | | | trans | -139.5 | 107.9 | 168.8 | -83.6 | -164.2 | 163.7 | -154.8 | -5 | 111.7 | Q972 | Q972-R974 PolarHBondContact O-N 2.71Š|
| 975 | L | 40.8 | Very low | 44.7 | Very low | 249 Ų | 249 | 163.5 Ų | 163.5 | 100% | 1.304 | 82% | 0.824 | S | S | * | * | | | trans | 63.2 | 0 | 162.5 | -62.6 | 162.5 | 0 | 0 | 0 | 114.8 | | |