| 1 | M | 41.2 | Very low | 42.5 | Very low | 223 Ų | 223 | 152.6 Ų | 152.6 | 100% | 1.099 | 82% | 0.817 | S | S | * | * | | | | 0 | 105.9 | 0 | -69.6 | 165 | 143.5 | 0 | 0 | 107.5 | | |
| 2 | H | 37.6 | Very low | 41.9 | Very low | 163 Ų | 163 | 144.9 Ų | 144.9 | 76% | 0.755 | 80% | 0.8 | S | S | * | * | | | cis | -142.9 | 179.6 | -2.1 | -83.8 | 107.5 | 0 | 0 | 0 | 110.2 | | |
| 3 | H | 47.3 | Very low | 41.5 | Very low | 153 Ų | 153 | 144.6 Ų | 144.6 | 71% | 0.708 | 81% | 0.805 | S | S | * | * | | | trans | -51.5 | 151.8 | -174.1 | -49.4 | -101.6 | 0 | 0 | 0 | 116.4 | | |
| 4 | Q | 41.7 | Very low | 41.1 | Very low | 195 Ų | 195 | 140.9 Ų | 140.9 | 91% | 0.911 | 80% | 0.803 | S | S | * | * | | | | -161.2 | 149.8 | 128.2 | -114.6 | 146.9 | 109.4 | 0 | 0 | 112.2 | | |
| 5 | D | 42 | Very low | 40.8 | Very low | 141 Ų | 141 | 139.7 Ų | 139.7 | 75% | 0.754 | 80% | 0.799 | S | S | * | * | | | trans | -96.9 | -164.6 | -177.6 | -59.9 | -95.5 | 0 | 0 | 0 | 112 | | |
| 6 | Y | 44 | Very low | 40.8 | Very low | 208 Ų | 208 | 144.9 Ų | 144.9 | 82% | 0.816 | 80% | 0.802 | S | S | * | * | | | trans | 90.2 | 95.4 | 168.7 | -85.4 | -105.6 | 0 | 0 | 0 | 120.4 | | |
| 7 | T | 39.5 | Very low | 40.5 | Very low | 132 Ų | 132 | 148.5 Ų | 148.5 | 81% | 0.81 | 81% | 0.807 | S | S | * | * | | | | 69.5 | 121.2 | 112.6 | -53.3 | 0 | 0 | 0 | 0 | 120.8 | | |
| 8 | G | 34.5 | Very low | 40.2 | Very low | 79 Ų | 79 | 144.9 Ų | 144.9 | 81% | 0.814 | 80% | 0.801 | S | S | * | * | | | trans | -179 | 104.7 | 166.4 | 0 | 0 | 0 | 0 | 0 | 115.6 | | |
| 9 | D | 33.3 | Very low | 39.8 | Very low | 160 Ų | 160 | 142 Ų | 142 | 86% | 0.856 | 80% | 0.798 | S | S | * | * | | | trans | -72.1 | -179.9 | 167.6 | -119.1 | -44.8 | 0 | 0 | 0 | 111.8 | | |
| 10 | P | 54.3 | Low | 39.6 | Very low | 106 Ų | 106 | 144.1 Ų | 144.1 | 69% | 0.688 | 80% | 0.798 | S | S | * | * | | | cis | -134.6 | -119.8 | -7.7 | 32.2 | -4.6 | 0 | 0 | 0 | 113.8 | | |
| 11 | P | 51.9 | Low | 39.6 | Very low | 119 Ų | 119 | 144.5 Ų | 144.5 | 77% | 0.773 | 79% | 0.794 | S | S | * | * | | | trans | -131.1 | -179.1 | -137 | 39.5 | -15.7 | 0 | 0 | 0 | 117.4 | | |
| 12 | G | 34.8 | Very low | 39.3 | Very low | 60 Ų | 60 | 142.6 Ų | 142.6 | 62% | 0.619 | 78% | 0.776 | S | S | * | * | | | trans | 83.5 | 114.8 | 133.5 | 0 | 0 | 0 | 0 | 0 | 121.9 | | |
| 13 | T | 37.7 | Very low | 39.1 | Very low | 141 Ų | 141 | 144.5 Ų | 144.5 | 87% | 0.865 | 78% | 0.776 | S | S | * | * | | | trans | 68.2 | 132.3 | 136.9 | 58.5 | 0 | 0 | 0 | 0 | 122.9 | | |
| 14 | A | 36.1 | Very low | 38.5 | Very low | 93 Ų | 93 | 148 Ų | 148 | 77% | 0.769 | 78% | 0.783 | S | S | * | * | | | trans | 70.4 | 151.3 | 161.1 | 0 | 0 | 0 | 0 | 0 | 116.6 | | |
| 15 | T | 36.7 | Very low | 38 | Very low | 122 Ų | 122 | 141.6 Ų | 141.6 | 75% | 0.748 | 77% | 0.77 | S | S | * | * | | | cis | -155 | 145.8 | 39 | -67 | 0 | 0 | 0 | 0 | 115.2 | | |
| 16 | R | 39.3 | Very low | 37.7 | Very low | 223 Ų | 223 | 140.4 Ų | 140.4 | 84% | 0.842 | 77% | 0.773 | S | S | * | * | | | trans | -18.5 | 148.3 | 161.5 | -37.2 | 168.8 | -161.8 | -140.4 | 2.9 | 119.5 | | |
| 17 | K | 37.2 | Very low | 37.2 | Very low | 207 Ų | 207 | 135.3 Ų | 135.3 | 90% | 0.9 | 77% | 0.767 | S | S | * | * | | | | 157.1 | 156.4 | 122.6 | -87.8 | 177.7 | 177.5 | 176.9 | 0 | 111 | | |
| 18 | A | 33.8 | Very low | 37 | Very low | 83 Ų | 83 | 134.7 Ų | 134.7 | 69% | 0.686 | 77% | 0.768 | S | S | * | * | | | cis | -169.7 | 160.8 | -19.9 | 0 | 0 | 0 | 0 | 0 | 111.1 | | |
| 19 | A | 32.6 | Very low | 36.9 | Very low | 90 Ų | 90 | 135.3 Ų | 135.3 | 74% | 0.744 | 77% | 0.766 | S | S | * | * | | | trans | 55.4 | 159.4 | 144 | 0 | 0 | 0 | 0 | 0 | 121.8 | | |
| 20 | F | 36.1 | Very low | 37.1 | Very low | 183 Ų | 183 | 133.6 Ų | 133.6 | 80% | 0.803 | 77% | 0.766 | S | S | * | * | | | cis | -177 | 169.4 | -41.2 | -120.2 | -64.6 | 0 | 0 | 0 | 107.7 | | |
| 21 | H | 40 | Very low | 35.9 | Very low | 154 Ų | 154 | 132 Ų | 132 | 71% | 0.713 | 77% | 0.77 | S | S | * | * | | | trans | 79.7 | 153.2 | 169.6 | -54.2 | -69.8 | 0 | 0 | 0 | 117.7 | | |
| 22 | Y | 34.8 | Very low | 35.1 | Very low | 183 Ų | 183 | 132.2 Ų | 132.2 | 72% | 0.718 | 77% | 0.773 | S | S | * | * | | | cis | -151.7 | 154.7 | 10.5 | -133.7 | -55.4 | 0 | 0 | 0 | 113.6 | | |
| 23 | R | 33.3 | Very low | 35.4 | Very low | 202 Ų | 202 | 135.7 Ų | 135.7 | 76% | 0.762 | 79% | 0.785 | S | S | * | * | | | trans | 79 | 148.1 | 152.9 | -98.6 | -172.3 | -104.2 | -101.6 | 2.5 | 117.7 | | |
| 24 | R | 36 | Very low | 35.1 | Very low | 226 Ų | 226 | 133.8 Ų | 133.8 | 85% | 0.853 | 78% | 0.778 | S | S | * | * | | | cis | -158.7 | 145 | -3.6 | -165.9 | -179.6 | -172.4 | -176 | 1.1 | 112.2 | | |
| 25 | G | 31.2 | Very low | 35 | Very low | 61 Ų | 61 | 133.8 Ų | 133.8 | 63% | 0.629 | 77% | 0.772 | S | S | * | * | | | trans | 89.7 | 122.2 | 164.7 | 0 | 0 | 0 | 0 | 0 | 114 | | |
| 26 | S | 34.9 | Very low | 34.7 | Very low | 117 Ų | 117 | 133 Ų | 133 | 82% | 0.818 | 77% | 0.772 | S | S | * | * | | | cis | 77.1 | 128.5 | 16.3 | -35.4 | 0 | 0 | 0 | 0 | 114.9 | | |
| 27 | S | 32.7 | Very low | 34.6 | Very low | 100 Ų | 100 | 129.3 Ų | 129.3 | 70% | 0.699 | 77% | 0.773 | S | S | * | * | | | cis | -174.4 | 145.1 | -1.9 | 40.8 | 0 | 0 | 0 | 0 | 114.5 | | |
| 28 | S | 35.5 | Very low | 34.3 | Very low | 119 Ų | 119 | 122.7 Ų | 122.7 | 83% | 0.832 | 76% | 0.764 | S | S | * | * | | | trans | 63.1 | 165.3 | 149.9 | 69.3 | 0 | 0 | 0 | 0 | 118.2 | | |
| 29 | A | 32.5 | Very low | 34.1 | Very low | 92 Ų | 92 | 122.5 Ų | 122.5 | 76% | 0.76 | 77% | 0.77 | S | S | * | * | | | cis | -146.7 | -177.3 | 7.9 | 0 | 0 | 0 | 0 | 0 | 112.6 | | |
| 30 | S | 38 | Very low | 34 | Very low | 124 Ų | 124 | 125 Ų | 125 | 87% | 0.867 | 77% | 0.771 | S | S | * | * | | | trans | -78 | 159.4 | 176.6 | 47.7 | 0 | 0 | 0 | 0 | 114.4 | | |
| 31 | G | 28.9 | Very low | 33.9 | Very low | 74 Ų | 74 | 123.3 Ų | 123.3 | 76% | 0.763 | 77% | 0.769 | S | S | * | * | | | trans | 169 | 116.3 | 162.1 | 0 | 0 | 0 | 0 | 0 | 115.3 | | |
| 32 | S | 34.2 | Very low | 33.4 | Very low | 122 Ų | 122 | 120 Ų | 120 | 85% | 0.853 | 76% | 0.764 | S | S | * | * | | | trans | -90.6 | 146.9 | 156.7 | -56.9 | 0 | 0 | 0 | 0 | 109.4 | | |
| 33 | P | 43.1 | Very low | 33.4 | Very low | 133 Ų | 133 | 120 Ų | 120 | 86% | 0.864 | 77% | 0.771 | S | S | * | * | | | | -137 | -164.6 | 126.4 | 39 | -27.7 | 0 | 0 | 0 | 112.4 | | |
| 34 | S | 31.3 | Very low | 33.2 | Very low | 101 Ų | 101 | 119.6 Ų | 119.6 | 71% | 0.706 | 78% | 0.777 | S | S | * | * | | | trans | -111.2 | 179.9 | -156.5 | 57.3 | 0 | 0 | 0 | 0 | 115.8 | | |
| 35 | S | 32.8 | Very low | 33 | Very low | 94 Ų | 94 | 113.7 Ų | 113.7 | 66% | 0.657 | 77% | 0.77 | S | S | * | * | | | trans | 76.1 | 103.3 | 136.9 | 55.1 | 0 | 0 | 0 | 0 | 121.7 | | |
| 36 | S | 31.6 | Very low | 33.5 | Very low | 106 Ų | 106 | 116.2 Ų | 116.2 | 74% | 0.741 | 78% | 0.776 | S | S | * | * | | | | 92.6 | 158.8 | 112.6 | 75.4 | 0 | 0 | 0 | 0 | 121.9 | | |
| 37 | V | 35.5 | Very low | 33.3 | Very low | 144 Ų | 144 | 115.7 Ų | 115.7 | 87% | 0.873 | 77% | 0.772 | S | S | * | * | | | trans | 74 | 134.5 | 174.1 | -167.1 | 0 | 0 | 0 | 0 | 115.4 | | |
| 38 | G | 31.4 | Very low | 34.1 | Very low | 69 Ų | 69 | 117 Ų | 117 | 71% | 0.711 | 78% | 0.778 | S | S | * | * | | | cis | 147.8 | 137.6 | -10.7 | 0 | 0 | 0 | 0 | 0 | 114.1 | | |
| 39 | G | 30.4 | Very low | 34 | Very low | 78 Ų | 78 | 116 Ų | 116 | 80% | 0.804 | 78% | 0.777 | S | S | * | * | | | trans | 77.9 | 129.8 | 177.9 | 0 | 0 | 0 | 0 | 0 | 114 | | |
| 40 | N | 30.5 | Very low | 33.8 | Very low | 144 Ų | 144 | 120.8 Ų | 120.8 | 77% | 0.77 | 78% | 0.784 | S | S | * | * | | | cis | 87 | 132.1 | 19.4 | -156.9 | 25.5 | 0 | 0 | 0 | 116.2 | | |
| 41 | L | 32.3 | Very low | 33.5 | Very low | 146 Ų | 146 | 119.8 Ų | 119.8 | 76% | 0.764 | 78% | 0.783 | S | S | * | * | | | trans | 67.6 | 150.8 | 177.6 | -47.8 | 179.6 | 0 | 0 | 0 | 115.5 | | |
| 42 | S | 31.4 | Very low | 33.6 | Very low | 86 Ų | 86 | 120.3 Ų | 120.3 | 60% | 0.601 | 79% | 0.789 | S | S | * | * | | | cis | -160.9 | 156.1 | -15.3 | -115.7 | 0 | 0 | 0 | 0 | 110.5 | | |
| 43 | E | 33.3 | Very low | 33.5 | Very low | 183 Ų | 183 | 120.2 Ų | 120.2 | 86% | 0.855 | 79% | 0.788 | S | S | * | * | | | trans | 40.7 | 171.5 | 146 | -90.5 | 154.5 | 105.7 | 0 | 0 | 125.8 | | |
| 44 | E | 30.3 | Very low | 33 | Very low | 192 Ų | 192 | 119.9 Ų | 119.9 | 90% | 0.897 | 79% | 0.788 | S | S | * | * | | | trans | 85.5 | 138.8 | 168.4 | -154.8 | 164.6 | 99.6 | 0 | 0 | 119.1 | | |
| 45 | S | 31.1 | Very low | 32.9 | Very low | 102 Ų | 102 | 120.7 Ų | 120.7 | 71% | 0.713 | 79% | 0.794 | S | S | * | * | | | trans | -142.7 | 138.1 | 174.7 | -173.7 | 0 | 0 | 0 | 0 | 108.5 | | |
| 46 | P | 42.1 | Very low | 33.2 | Very low | 115 Ų | 115 | 122.3 Ų | 122.3 | 75% | 0.747 | 80% | 0.803 | S | S | * | * | | | | -144.7 | 169.3 | 115 | 36.4 | -21.7 | 0 | 0 | 0 | 115.2 | | |
| 47 | S | 31.1 | Very low | 33.2 | Very low | 106 Ų | 106 | 121.5 Ų | 121.5 | 74% | 0.741 | 80% | 0.802 | S | S | * | * | | | trans | -101.8 | -173.7 | 165.5 | -56.2 | 0 | 0 | 0 | 0 | 109.6 | | |
| 48 | P | 49.4 | Very low | 33.1 | Very low | 126 Ų | 126 | 122.8 Ų | 122.8 | 82% | 0.818 | 80% | 0.803 | S | S | * | * | | | cis | -141 | 163.1 | -0.8 | 41.9 | -24.2 | 0 | 0 | 0 | 117.7 | | |
| 49 | A | 32.4 | Very low | 33.4 | Very low | 98 Ų | 98 | 128.1 Ų | 128.1 | 81% | 0.81 | 81% | 0.81 | S | S | * | * | | | trans | -179.2 | 132.1 | 149.5 | 0 | 0 | 0 | 0 | 0 | 107.4 | | |
| 50 | Q | 29.5 | Very low | 33.7 | Very low | 194 Ų | 194 | 129.1 Ų | 129.1 | 91% | 0.907 | 81% | 0.81 | S | S | * | * | | | cis | 92.8 | 133.4 | 39.2 | -156.7 | -172 | 63.4 | 0 | 0 | 114.7 | | |
| 51 | A | 31.9 | Very low | 34.1 | Very low | 103 Ų | 103 | 130.4 Ų | 130.4 | 85% | 0.851 | 82% | 0.816 | S | S | * | * | | | trans | 87.6 | 139.4 | 170 | 0 | 0 | 0 | 0 | 0 | 118.8 | | |
| 52 | G | 30.1 | Very low | 34.4 | Very low | 85 Ų | 85 | 127.5 Ų | 127.5 | 88% | 0.876 | 82% | 0.821 | S | S | * | * | | | trans | 135.7 | 103.2 | 177.9 | 0 | 0 | 0 | 0 | 0 | 112.9 | | |
| 53 | S | 32.1 | Very low | 34.8 | Very low | 120 Ų | 120 | 127.7 Ų | 127.7 | 84% | 0.839 | 83% | 0.828 | S | S | * | * | | | trans | -126.4 | 138.3 | -172.1 | 62.1 | 0 | 0 | 0 | 0 | 114.2 | | |
| 54 | S | 32.3 | Very low | 35.3 | Very low | 125 Ų | 125 | 127.9 Ų | 127.9 | 87% | 0.874 | 83% | 0.829 | S | S | * | * | | | trans | -146.4 | 118.3 | 159.3 | 43.4 | 0 | 0 | 0 | 0 | 112.1 | | |
| 55 | S | 30.3 | Very low | 35.8 | Very low | 119 Ų | 119 | 124.8 Ų | 124.8 | 83% | 0.832 | 82% | 0.823 | S | S | * | * | | | trans | -78.5 | 165.9 | 167.6 | -76.8 | 0 | 0 | 0 | 0 | 110.5 | | |
| 56 | P | 39.1 | Very low | 36.6 | Very low | 128 Ų | 128 | 127.2 Ų | 127.2 | 83% | 0.831 | 82% | 0.821 | S | S | * | * | | | cis | -138 | 179 | 33.7 | 41.5 | -22.1 | 0 | 0 | 0 | 118.1 | | |
| 57 | A | 30.4 | Very low | 36.8 | Very low | 88 Ų | 88 | 131.1 Ų | 131.1 | 73% | 0.727 | 83% | 0.826 | S | S | * | * | | | trans | -72.1 | 161 | -174.1 | 0 | 0 | 0 | 0 | 0 | 115 | | |
| 58 | L | 34.2 | Very low | 38 | Very low | 171 Ų | 171 | 135.3 Ų | 135.3 | 90% | 0.895 | 83% | 0.831 | S | S | * | * | | | | -151.6 | 164.2 | 115.8 | -107.5 | 171.5 | 0 | 0 | 0 | 111.1 | | |
| 59 | Q | 37.3 | Very low | 37.8 | Very low | 181 Ų | 181 | 134.7 Ų | 134.7 | 85% | 0.846 | 83% | 0.83 | S | S | * | * | | | trans | -97.5 | 146.2 | -172.3 | -62.6 | 164.9 | -25.7 | 0 | 0 | 112.1 | | |
| 60 | A | 36.7 | Very low | 39.2 | Very low | 99 Ų | 99 | 133.5 Ų | 133.5 | 82% | 0.818 | 83% | 0.827 | S | S | * | * | | | trans | -157 | 141.1 | 149.6 | 0 | 0 | 0 | 0 | 0 | 110.1 | | |
| 61 | L | 38 | Very low | 40.4 | Very low | 172 Ų | 172 | 132.5 Ų | 132.5 | 90% | 0.901 | 82% | 0.82 | S | S | * | * | P | Polyproline II helix | trans | -76.3 | 155.3 | 175 | -88 | 65.5 | 0 | 0 | 0 | 111 | A63 | L61-A63 PolarHBondContact O-N 3.39Š|
| 62 | G | 39.5 | Very low | 41.4 | Very low | 84 Ų | 84 | 135.8 Ų | 135.8 | 87% | 0.866 | 82% | 0.817 | S | S | * | * | P | Polyproline II helix | trans | -67.1 | 122.1 | -169.8 | 0 | 0 | 0 | 0 | 0 | 114.7 | | |
| 63 | A | 39.8 | Very low | 42.8 | Very low | 90 Ų | 90 | 136.6 Ų | 136.6 | 74% | 0.744 | 80% | 0.801 | S | S | * | * | P | Polyproline II helix | trans | -87.4 | 122.4 | 164.2 | 0 | 0 | 0 | 0 | 0 | 110.3 | L61 V65 | L61-A63 PolarHBondContact O-N 3.39Å; A63-V65 PolarHBondContact O-N 3.08Å; A63-V65 VanDerWaalsContact O-N 3.12Å |
| 64 | Q | 43.3 | Very low | 43.7 | Very low | 187 Ų | 187 | 136.8 Ų | 136.8 | 87% | 0.874 | 80% | 0.797 | S | S | * | * | | | trans | -69.5 | 104.4 | 171.4 | -75.8 | -70.9 | -9 | 0 | 0 | 109.8 | K66 | Q64-K66 VanDerWaalsContact C-N 3.25Å; Q64-K66 PolarHBondContact O-N 3.49Å |
| 65 | V | 40.3 | Very low | 44.6 | Very low | 128 Ų | 128 | 134.9 Ų | 134.9 | 78% | 0.776 | 78% | 0.783 | S | S | * | * | | | trans | -75.4 | 77.8 | 179.9 | -173.5 | 0 | 0 | 0 | 0 | 110.2 | A63 K67 | A63-V65 PolarHBondContact O-N 3.08Å; A63-V65 VanDerWaalsContact O-N 3.12Å; V65-K67 PolarHBondContact O-N 3.15Å |
| 66 | K | 48 | Very low | 45.7 | Very low | 152 Ų | 152 | 135.4 Ų | 135.4 | 66% | 0.661 | 78% | 0.781 | S | S | * | * | | | trans | -62.1 | 104.7 | 172.9 | -166.7 | -175.7 | -175.9 | -166.4 | 0 | 108.9 | Q64 K68 Y283 | Q64-K66 VanDerWaalsContact C-N 3.25Å; Q64-K66 PolarHBondContact O-N 3.49Å; K66-K68 PolarHBondContact O-N 3.26Å; K66-Y283 PolarHBondContact NZ-OH 3.47Å; K66-Y283 VanDerWaalsContact NZ-OH 3.1Å |
| 67 | K | 47.4 | Very low | 46.3 | Very low | 197 Ų | 197 | 135.2 Ų | 135.2 | 86% | 0.857 | 78% | 0.778 | S | S | * | * | | | trans | -60.2 | 108 | 179.2 | -75.1 | -178.2 | 176.4 | 177.2 | 0 | 110.1 | V65 S69 | V65-K67 PolarHBondContact O-N 3.15Å; K67-S69 PolarHBondContact O-N 3.47Å |
| 68 | K | 56.1 | Low | 47.3 | Very low | 195 Ų | 195 | 135.9 Ų | 135.9 | 85% | 0.848 | 78% | 0.777 | S | S | * | * | | | trans | -61.6 | 125.4 | 171 | 65.6 | 174.1 | -172.8 | -72.6 | 0 | 110.2 | K66 G70 | K66-K68 PolarHBondContact O-N 3.26Å; K68-G70 PolarHBondContact O-N 3.47Å |
| 69 | S | 45.4 | Very low | 47.8 | Very low | 113 Ų | 113 | 131.6 Ų | 131.6 | 79% | 0.79 | 77% | 0.767 | S | S | * | * | | | trans | -90.7 | 80.3 | 176.1 | -163.8 | 0 | 0 | 0 | 0 | 109.6 | K67 F71 | K67-S69 PolarHBondContact O-N 3.47Å; S69-F71 PolarHBondContact O-N 3.22Å |
| 70 | G | 60.4 | Low | 48.2 | Very low | 73 Ų | 73 | 131.2 Ų | 131.2 | 75% | 0.753 | 77% | 0.765 | S | S | * | * | | | trans | -72.5 | 119.5 | 174.4 | 0 | 0 | 0 | 0 | 0 | 110.6 | K68 | K68-G70 PolarHBondContact O-N 3.47Š|
| 71 | F | 55.7 | Low | 48.4 | Very low | 173 Ų | 173 | 133.2 Ų | 133.2 | 76% | 0.759 | 76% | 0.76 | S | S | * | * | | | trans | -97.6 | 148.9 | 166.2 | 62 | -89 | 0 | 0 | 0 | 110.1 | S69 I73 | S69-F71 PolarHBondContact O-N 3.22Å; F71-I73 HydrophobicContact CD2-CG1 4.29Å; F71-I73 HydrophobicContact CE2-CD1 4.38Å; F71-I73 HydrophobicContact CE2-CG1 4.06Å |
| 72 | Q | 52.1 | Low | 48.4 | Very low | 171 Ų | 171 | 132.3 Ų | 132.3 | 80% | 0.799 | 76% | 0.756 | S | S | * | * | | | trans | -107.9 | 120.5 | 180 | -176.1 | 168.6 | -13.6 | 0 | 0 | 109.7 | T74 | Q72-T74 PolarHBondContact O-N 2.85Š|
| 73 | I | 59.9 | Low | 48.4 | Very low | 103 Ų | 103 | 134.3 Ų | 134.3 | 53% | 0.528 | 75% | 0.752 | S | S | . | * | | | trans | -75.8 | 109 | 172.4 | -57.9 | 175.5 | 0 | 0 | 0 | 107.3 | F71 S75 V76 | F71-I73 HydrophobicContact CD2-CG1 4.29Å; F71-I73 HydrophobicContact CE2-CD1 4.38Å; F71-I73 HydrophobicContact CE2-CG1 4.06Å; I73-S75 WeakPolarHBondContact CG2-O 3.31Å; I73-V76 HydrophobicContact CG2-CG2 3.81Å |
| 74 | T | 51.4 | Low | 48.3 | Very low | 123 Ų | 123 | 135.9 Ų | 135.9 | 76% | 0.755 | 76% | 0.757 | S | S | * | * | | | trans | -83.5 | -23.2 | -175.4 | 45.9 | 0 | 0 | 0 | 0 | 113.6 | Q72 | Q72-T74 PolarHBondContact O-N 2.85Š|
| 75 | S | 50.8 | Low | 47.8 | Very low | 85 Ų | 85 | 130 Ų | 130 | 59% | 0.594 | 75% | 0.747 | S | S | * | * | | | trans | -155.5 | 150.9 | 178.8 | 53.6 | 0 | 0 | 0 | 0 | 110.9 | I73 | I73-S75 WeakPolarHBondContact CG2-O 3.31Š|
| 76 | V | 53.4 | Low | 48.1 | Very low | 130 Ų | 130 | 132 Ų | 132 | 79% | 0.788 | 75% | 0.753 | S | S | * | * | | | trans | -128.6 | 114.9 | 168.3 | 178.3 | 0 | 0 | 0 | 0 | 107.6 | I73 | I73-V76 HydrophobicContact CG2-CG2 3.81Š|
| 77 | T | 52.5 | Low | 47.6 | Very low | 125 Ų | 125 | 132.2 Ų | 132.2 | 77% | 0.767 | 76% | 0.761 | S | S | * | * | | | trans | -110.4 | 124.7 | 178.8 | -50.6 | 0 | 0 | 0 | 0 | 108.6 | A79 | T77-A79 PolarHBondContact O-N 3.28Š|
| 78 | S | 50.3 | Low | 47.2 | Very low | 101 Ų | 101 | 127 Ų | 127 | 71% | 0.706 | 75% | 0.75 | S | S | * | * | | | trans | -70.5 | 116.9 | 169 | 48.1 | 0 | 0 | 0 | 0 | 109.3 | Q80 | S78-Q80 PolarHBondContact O-N 3.27Å; S78-Q80 VanDerWaalsContact O-N 3.08Å |
| 79 | A | 44.8 | Very low | 46.7 | Very low | 81 Ų | 81 | 126.9 Ų | 126.9 | 67% | 0.669 | 76% | 0.757 | S | S | * | * | | | trans | -70.8 | 102.5 | 172.8 | 0 | 0 | 0 | 0 | 0 | 109.7 | T77 I81 | T77-A79 PolarHBondContact O-N 3.28Å; A79-I81 PolarHBondContact O-N 3.36Å |
| 80 | Q | 46.8 | Very low | 46.9 | Very low | 173 Ų | 173 | 124.4 Ų | 124.4 | 81% | 0.808 | 74% | 0.744 | S | S | * | * | | | trans | -68.8 | 119 | 163.1 | -73.3 | 176.2 | -63.8 | 0 | 0 | 107.7 | S78 N82 | S78-Q80 PolarHBondContact O-N 3.27Å; S78-Q80 VanDerWaalsContact O-N 3.08Å; Q80-N82 PolarHBondContact O-N 2.94Å |
| 81 | I | 41.1 | Very low | 46.1 | Very low | 142 Ų | 142 | 128 Ų | 128 | 73% | 0.728 | 75% | 0.746 | S | S | * | * | | | trans | -83.6 | 99.5 | 175.9 | -65.6 | 174.1 | 0 | 0 | 0 | 106.8 | A79 V83 | A79-I81 PolarHBondContact O-N 3.36Å; I81-V83 PolarHBondContact O-N 3.45Å |
| 82 | N | 36.9 | Very low | 45.9 | Very low | 152 Ų | 152 | 128.1 Ų | 128.1 | 81% | 0.813 | 76% | 0.755 | S | S | * | * | | | trans | -65.7 | 104.7 | 171.9 | -99.8 | 46.1 | 0 | 0 | 0 | 109.6 | Q80 | Q80-N82 PolarHBondContact O-N 2.94Š|
| 83 | V | 39.5 | Very low | 46 | Very low | 127 Ų | 127 | 125 Ų | 125 | 77% | 0.77 | 75% | 0.747 | S | S | * | * | | | trans | -82.4 | 140.7 | 156.4 | -178 | 0 | 0 | 0 | 0 | 107.2 | I81 | I81-V83 PolarHBondContact O-N 3.45Š|
| 84 | S | 37.6 | Very low | 45.8 | Very low | 123 Ų | 123 | 128.9 Ų | 128.9 | 86% | 0.86 | 76% | 0.763 | S | S | * | * | S | Bend | trans | -56.6 | 134.1 | -163.3 | -170.4 | 0 | 0 | 0 | 0 | 114.8 | | |
| 85 | G | 33.4 | Very low | 45.8 | Very low | 64 Ų | 64 | 128.8 Ų | 128.8 | 66% | 0.66 | 77% | 0.767 | S | S | * | * | | | trans | -173.9 | 99.7 | 170.8 | 0 | 0 | 0 | 0 | 0 | 110.9 | N87 | G85-N87 PolarHBondContact O-N 3.24Š|
| 86 | N | 45.7 | Very low | 45.9 | Very low | 170 Ų | 170 | 135 Ų | 135 | 91% | 0.909 | 78% | 0.779 | S | S | * | * | | | trans | -81.7 | 103.4 | 172.8 | -82.6 | -15.9 | 0 | 0 | 0 | 109.6 | | |
| 87 | N | 38.7 | Very low | 46.1 | Very low | 155 Ų | 155 | 135.3 Ų | 135.3 | 83% | 0.829 | 78% | 0.776 | S | S | * | * | | | trans | -149.5 | 164.6 | 150.9 | -154.5 | 13.6 | 0 | 0 | 0 | 112 | G85 | G85-N87 PolarHBondContact O-N 3.24Š|
| 88 | S | 38.4 | Very low | 46.1 | Very low | 87 Ų | 87 | 136.7 Ų | 136.7 | 61% | 0.608 | 78% | 0.779 | S | S | * | * | | | trans | -41.5 | 135.5 | -170 | -59.4 | 0 | 0 | 0 | 0 | 118 | A90 | S88-A90 PolarHBondContact O-N 3.05Š|
| 89 | L | 46.6 | Very low | 46.3 | Very low | 193 Ų | 193 | 138.7 Ų | 138.7 | 100% | 1.01 | 78% | 0.779 | S | S | * | * | S | Bend | trans | -86.5 | 62.1 | 148.4 | -176.6 | 64.1 | 0 | 0 | 0 | 108.6 | | |
| 90 | A | 48.5 | Very low | 46.8 | Very low | 61 Ų | 61 | 142.7 Ų | 142.7 | 50% | 0.504 | 79% | 0.789 | S | S | . | * | | | trans | -144.1 | 121.3 | 177.6 | 0 | 0 | 0 | 0 | 0 | 109.4 | S88 | S88-A90 PolarHBondContact O-N 3.05Š|
| 91 | D | 43.8 | Very low | 47.3 | Very low | 149 Ų | 149 | 142.4 Ų | 142.4 | 80% | 0.797 | 79% | 0.788 | S | S | * | * | | | trans | 50.4 | 96.5 | 159 | -56 | -76.9 | 0 | 0 | 0 | 118.4 | T93 | D91-T93 VanDerWaalsContact C-N 3.28Å; D91-T93 PolarHBondContact O-N 3.1Å |
| 92 | D | 51.8 | Low | 47.9 | Very low | 176 Ų | 176 | 139.8 Ų | 139.8 | 94% | 0.941 | 78% | 0.782 | S | S | * | * | | | trans | -63.7 | 78.5 | 159.3 | -87.7 | -68.7 | 0 | 0 | 0 | 111.2 | | |
| 93 | T | 54.1 | Low | 48.5 | Very low | 106 Ų | 106 | 141.2 Ų | 141.2 | 65% | 0.65 | 78% | 0.784 | S | S | * | * | | | trans | -155 | 152.8 | 162.4 | -35.4 | 0 | 0 | 0 | 0 | 112.6 | D91 | D91-T93 VanDerWaalsContact C-N 3.28Å; D91-T93 PolarHBondContact O-N 3.1Å |
| 94 | E | 56 | Low | 49.4 | Very low | 184 Ų | 184 | 141.3 Ų | 141.3 | 86% | 0.86 | 79% | 0.785 | S | S | * | * | | | trans | 51.3 | 76.7 | 157.8 | 69.5 | -159 | 96.3 | 0 | 0 | 120.8 | | |
| 95 | S | 52 | Low | 50.1 | Low | 120 Ų | 120 | 143.8 Ų | 143.8 | 84% | 0.839 | 78% | 0.783 | S | S | * | * | | | trans | -151.5 | 126.8 | 137.5 | -171.8 | 0 | 0 | 0 | 0 | 110.5 | | |
| 96 | Y | 52.5 | Low | 51 | Low | 215 Ų | 215 | 147 Ų | 147 | 84% | 0.843 | 79% | 0.785 | S | S | * | * | | | trans | -141.7 | 157.3 | 177.2 | -141.4 | -93.8 | 0 | 0 | 0 | 107.1 | | |
| 97 | D | 56.9 | Low | 51.1 | Low | 137 Ų | 137 | 147.2 Ų | 147.2 | 73% | 0.733 | 79% | 0.785 | S | S | * | * | | | trans | 68 | 162.4 | -178.6 | -61.6 | -70.1 | 0 | 0 | 0 | 116.9 | | |
| 98 | D | 53.2 | Low | 51.5 | Low | 154 Ų | 154 | 144.3 Ų | 144.3 | 82% | 0.824 | 78% | 0.777 | S | S | * | * | | | trans | 62.5 | 124.8 | -175.3 | -74.3 | -7.6 | 0 | 0 | 0 | 118.2 | | |
| 99 | M | 54.6 | Low | 51.7 | Low | 144 Ų | 144 | 146.2 Ų | 146.2 | 71% | 0.709 | 79% | 0.79 | S | S | * | * | | | cis | -141.8 | 155.8 | -8.3 | -94.4 | -155.4 | -63.2 | 0 | 0 | 112.2 | | |
| 100 | D | 55.6 | Low | 51.6 | Low | 164 Ų | 164 | 143.1 Ų | 143.1 | 88% | 0.877 | 79% | 0.785 | S | S | * | * | | | trans | -84.3 | 107.3 | 170 | -177 | 24.6 | 0 | 0 | 0 | 109.1 | | |
| 101 | E | 56.3 | Low | 51.7 | Low | 167 Ų | 167 | 149.8 Ų | 149.8 | 78% | 0.78 | 81% | 0.806 | S | S | * | * | | | trans | -141.4 | 127.9 | 179.9 | -149.7 | 162 | -136.8 | 0 | 0 | 111.7 | | |
| 102 | S | 54.5 | Low | 51.9 | Low | 88 Ų | 88 | 150.3 Ų | 150.3 | 62% | 0.615 | 81% | 0.805 | S | S | * | * | | | trans | -110.5 | 140 | -163.2 | 54.6 | 0 | 0 | 0 | 0 | 112.8 | | |
| 103 | H | 48 | Very low | 51.6 | Low | 181 Ų | 181 | 149.4 Ų | 149.4 | 84% | 0.838 | 80% | 0.799 | S | S | * | * | | | trans | -128.5 | 78 | 160.4 | -90.2 | -71.3 | 0 | 0 | 0 | 110.9 | | |
| 104 | T | 59.4 | Low | 50.8 | Low | 129 Ų | 129 | 150.6 Ų | 150.6 | 79% | 0.791 | 80% | 0.802 | S | S | * | * | | | trans | -87.2 | 92.2 | 158.3 | 51.1 | 0 | 0 | 0 | 0 | 109.1 | | |
| 105 | E | 51.9 | Low | 49.9 | Very low | 176 Ų | 176 | 148.8 Ų | 148.8 | 82% | 0.822 | 80% | 0.803 | S | S | * | * | | | trans | -124.6 | 108.2 | 159.1 | -71.1 | -157.5 | 114 | 0 | 0 | 110.2 | | |
| 106 | D | 52.7 | Low | 49.3 | Very low | 132 Ų | 132 | 147.8 Ų | 147.8 | 71% | 0.706 | 80% | 0.796 | S | S | * | * | | | trans | -61.5 | 148.8 | 165.6 | -152.9 | -50.3 | 0 | 0 | 0 | 109.5 | S108 | D106-S108 PolarHBondContact OD1-N 3.1Š|
| 107 | L | 47.2 | Very low | 48.6 | Very low | 173 Ų | 173 | 142 Ų | 142 | 91% | 0.906 | 79% | 0.792 | S | S | * | * | | | | -162.8 | 111 | 126.1 | -97.7 | -163.7 | 0 | 0 | 0 | 110.4 | | |
| 108 | S | 46.9 | Very low | 47.7 | Very low | 95 Ų | 95 | 140.3 Ų | 140.3 | 66% | 0.664 | 79% | 0.791 | S | S | * | * | | | trans | -60.6 | 145.4 | 167.7 | -66.7 | 0 | 0 | 0 | 0 | 112.8 | D106 | D106-S108 PolarHBondContact OD1-N 3.1Š|
| 109 | S | 42.7 | Very low | 47 | Very low | 127 Ų | 127 | 144 Ų | 144 | 89% | 0.888 | 79% | 0.794 | S | S | * | * | | | trans | -158 | 100.1 | 147.5 | -81.9 | 0 | 0 | 0 | 0 | 110.9 | | |
| 110 | S | 45.3 | Very low | 46.4 | Very low | 127 Ų | 127 | 142.6 Ų | 142.6 | 89% | 0.888 | 80% | 0.795 | S | S | * | * | | | trans | -99 | 126.3 | 162 | -62.6 | 0 | 0 | 0 | 0 | 107.9 | | |
| 111 | E | 50.1 | Low | 45.5 | Very low | 202 Ų | 202 | 139.6 Ų | 139.6 | 94% | 0.944 | 79% | 0.793 | S | S | * | * | | | trans | -141.9 | 137.9 | 161 | -169.7 | 146.3 | 77.8 | 0 | 0 | 110.1 | | |
| 112 | M | 47.3 | Very low | 44.3 | Very low | 159 Ų | 159 | 138.6 Ų | 138.6 | 78% | 0.783 | 79% | 0.793 | S | S | * | * | | | trans | -152.3 | 137.3 | -177.5 | -161.4 | -155.6 | -64.1 | 0 | 0 | 109.5 | | |
| 113 | L | 46.6 | Very low | 43.5 | Very low | 157 Ų | 157 | 140.9 Ų | 140.9 | 82% | 0.822 | 80% | 0.803 | S | S | * | * | | | trans | 84.2 | 143.8 | 167.5 | -49.4 | -177.7 | 0 | 0 | 0 | 119.7 | | |
| 114 | D | 37.1 | Very low | 42.8 | Very low | 132 Ų | 132 | 135.9 Ų | 135.9 | 71% | 0.706 | 80% | 0.801 | S | S | * | * | | | trans | 76.4 | 100.6 | 148.3 | -157 | 22 | 0 | 0 | 0 | 121.4 | S116 | D114-S116 PolarHBondContact OD1-N 3.29Å; D114-S116 VanDerWaalsContact OD1-N 3.15Å |
| 115 | V | 36.9 | Very low | 41.7 | Very low | 145 Ų | 145 | 136.4 Ų | 136.4 | 88% | 0.879 | 80% | 0.804 | S | S | * | * | | | trans | -133.2 | 115.2 | 130.1 | 179 | 0 | 0 | 0 | 0 | 109.1 | | |
| 116 | S | 39.8 | Very low | 41.3 | Very low | 100 Ų | 100 | 133.6 Ų | 133.6 | 70% | 0.699 | 80% | 0.801 | S | S | * | * | | | trans | -122.5 | 150.1 | 166 | -69.5 | 0 | 0 | 0 | 0 | 111.9 | D114 | D114-S116 PolarHBondContact OD1-N 3.29Å; D114-S116 VanDerWaalsContact OD1-N 3.15Å |
| 117 | A | 36.8 | Very low | 40.5 | Very low | 92 Ų | 92 | 135.8 Ų | 135.8 | 76% | 0.76 | 81% | 0.807 | S | S | * | * | | | trans | 72.2 | 145.1 | 174.2 | 0 | 0 | 0 | 0 | 0 | 116.9 | | |
| 118 | S | 38.5 | Very low | 39.9 | Very low | 102 Ų | 102 | 139.5 Ų | 139.5 | 71% | 0.713 | 81% | 0.809 | S | S | * | * | | | cis | -169.8 | 154.9 | -9.3 | -110.8 | 0 | 0 | 0 | 0 | 113.5 | | |
| 119 | R | 37.8 | Very low | 39.3 | Very low | 233 Ų | 233 | 140.2 Ų | 140.2 | 88% | 0.879 | 81% | 0.814 | S | S | * | * | | | trans | 71 | 161.4 | 151.2 | -76.5 | -176.1 | 168.2 | -150.8 | -2.7 | 119.7 | | |
| 120 | P | 42.2 | Very low | 39 | Very low | 114 Ų | 114 | 139.6 Ų | 139.6 | 74% | 0.74 | 81% | 0.809 | S | S | * | * | | | cis | -145.4 | 131.6 | -43.4 | 38.3 | -19.8 | 0 | 0 | 0 | 116.3 | | |
| 121 | A | 37 | Very low | 38.9 | Very low | 100 Ų | 100 | 139.1 Ų | 139.1 | 83% | 0.826 | 81% | 0.806 | S | S | * | * | | | trans | -171.6 | 108.1 | 151.4 | 0 | 0 | 0 | 0 | 0 | 107.4 | | |
| 122 | D | 31.3 | Very low | 38.4 | Very low | 147 Ų | 147 | 135.8 Ų | 135.8 | 79% | 0.786 | 80% | 0.795 | S | S | * | * | | | | 70.7 | 75.4 | 73.4 | -165.9 | 29.4 | 0 | 0 | 0 | 115.2 | | |
| 123 | T | 37.7 | Very low | 38.3 | Very low | 135 Ų | 135 | 136 Ų | 136 | 83% | 0.828 | 79% | 0.794 | S | S | * | * | | | | 170 | 138.3 | 120.9 | 32.8 | 0 | 0 | 0 | 0 | 111.7 | | |
| 124 | G | 33.3 | Very low | 38.2 | Very low | 77 Ų | 77 | 134.5 Ų | 134.5 | 79% | 0.794 | 79% | 0.792 | S | S | * | * | | | trans | 87.7 | 56 | 149.7 | 0 | 0 | 0 | 0 | 0 | 122 | | |
| 125 | V | 36.4 | Very low | 38.5 | Very low | 140 Ų | 140 | 135 Ų | 135 | 85% | 0.848 | 79% | 0.794 | S | S | * | * | | | trans | -8.8 | 143.4 | 137.8 | 179.4 | 0 | 0 | 0 | 0 | 117.2 | | |
| 126 | P | 44.5 | Very low | 38.6 | Very low | 117 Ų | 117 | 135.1 Ų | 135.1 | 76% | 0.76 | 79% | 0.789 | S | S | * | * | | | cis | -134.1 | -174.8 | -15.6 | 39.8 | -21.1 | 0 | 0 | 0 | 115.4 | | |
| 127 | E | 35.6 | Very low | 38.3 | Very low | 177 Ų | 177 | 135.5 Ų | 135.5 | 83% | 0.827 | 79% | 0.792 | S | S | * | * | | | trans | -59 | 157 | 171.3 | -47 | -178.5 | 99.4 | 0 | 0 | 115.5 | | |
| 128 | R | 34.7 | Very low | 38.4 | Very low | 252 Ų | 252 | 137 Ų | 137 | 95% | 0.951 | 79% | 0.787 | S | S | * | * | | | | -158 | 157 | 122.4 | -71.5 | -141.3 | 170.8 | -147.1 | -13.4 | 112.1 | | |
| 129 | S | 34.1 | Very low | 38.4 | Very low | 109 Ų | 109 | 140.9 Ų | 140.9 | 76% | 0.762 | 79% | 0.793 | S | S | * | * | | | trans | -90.8 | 152.1 | -175.7 | -41 | 0 | 0 | 0 | 0 | 114.5 | | |
| 130 | S | 36.5 | Very low | 38.1 | Very low | 114 Ų | 114 | 133 Ų | 133 | 80% | 0.797 | 78% | 0.783 | S | S | * | * | | | trans | 39.7 | 101.8 | 138.7 | 175.8 | 0 | 0 | 0 | 0 | 119.5 | | |
| 131 | S | 42.6 | Very low | 37.9 | Very low | 118 Ų | 118 | 134.1 Ų | 134.1 | 83% | 0.825 | 79% | 0.788 | S | S | * | * | | | trans | -157.4 | 157.2 | 138.9 | -48.5 | 0 | 0 | 0 | 0 | 112.5 | | |
| 132 | D | 39.8 | Very low | 37.6 | Very low | 132 Ų | 132 | 136.2 Ų | 136.2 | 71% | 0.706 | 79% | 0.786 | S | S | * | * | | | trans | -30.4 | 138 | 171.2 | -154.6 | -95.7 | 0 | 0 | 0 | 118.3 | T134 | D132-T134 PolarHBondContact OD1-OG1 2.86Å; D132-T134 VanDerWaalsContact OD1-OG1 3.08Å |
| 133 | E | 44 | Very low | 37.9 | Very low | 162 Ų | 162 | 135.2 Ų | 135.2 | 76% | 0.757 | 79% | 0.785 | S | S | * | * | | | trans | -129.5 | 97.5 | 163 | -78.3 | -138.3 | 104.6 | 0 | 0 | 111.9 | | |
| 134 | T | 46.1 | Very low | 38.2 | Very low | 127 Ų | 127 | 134.5 Ų | 134.5 | 78% | 0.779 | 78% | 0.783 | S | S | * | * | | | trans | -94.6 | 84 | 168.9 | 26.2 | 0 | 0 | 0 | 0 | 110.8 | D132 | D132-T134 PolarHBondContact OD1-OG1 2.86Å; D132-T134 VanDerWaalsContact OD1-OG1 3.08Å |
| 135 | L | 41.9 | Very low | 38.1 | Very low | 143 Ų | 143 | 134.1 Ų | 134.1 | 75% | 0.749 | 78% | 0.779 | S | S | * | * | | | trans | -97.4 | 129.5 | -178.7 | -73.1 | -177.6 | 0 | 0 | 0 | 115.1 | | |
| 136 | N | 39.5 | Very low | 37.9 | Very low | 147 Ų | 147 | 135.6 Ų | 135.6 | 79% | 0.786 | 78% | 0.781 | S | S | * | * | | | trans | -89.9 | 127.6 | 177.7 | 165.9 | 32.8 | 0 | 0 | 0 | 111.7 | | |
| 137 | S | 33.6 | Very low | 37.3 | Very low | 107 Ų | 107 | 136.4 Ų | 136.4 | 75% | 0.748 | 78% | 0.783 | S | S | * | * | | | trans | -173.4 | 145.3 | 166 | -87 | 0 | 0 | 0 | 0 | 111.2 | | |
| 138 | L | 38.3 | Very low | 37.4 | Very low | 125 Ų | 125 | 132.6 Ų | 132.6 | 65% | 0.654 | 78% | 0.776 | S | S | * | * | | | cis | -165.4 | 138.4 | -14.5 | -164.7 | 73.5 | 0 | 0 | 0 | 109.5 | | |
| 139 | H | 40.1 | Very low | 37.8 | Very low | 183 Ų | 183 | 125.7 Ų | 125.7 | 85% | 0.847 | 76% | 0.764 | S | S | * | * | | | trans | 61.5 | 158.5 | 175.1 | -56.8 | 129.6 | 0 | 0 | 0 | 116.9 | | |
| 140 | G | 31.7 | Very low | 37.5 | Very low | 66 Ų | 66 | 127.9 Ų | 127.9 | 68% | 0.68 | 77% | 0.767 | S | S | * | * | | | cis | 171 | 146.4 | -9.5 | 0 | 0 | 0 | 0 | 0 | 112.5 | | |
| 141 | V | 36.3 | Very low | 37.4 | Very low | 139 Ų | 139 | 130.7 Ų | 130.7 | 84% | 0.842 | 77% | 0.768 | S | S | * | * | | | trans | 11.3 | 127.3 | 164.4 | -64.5 | 0 | 0 | 0 | 0 | 120.4 | | |
| 142 | D | 30.9 | Very low | 37.6 | Very low | 144 Ų | 144 | 130.1 Ų | 130.1 | 77% | 0.77 | 76% | 0.761 | S | S | * | * | | | | -172.4 | 172.4 | 95.5 | -136.9 | -76.6 | 0 | 0 | 0 | 113 | | |
| 143 | T | 37.9 | Very low | 37.1 | Very low | 126 Ų | 126 | 131.7 Ų | 131.7 | 77% | 0.773 | 77% | 0.769 | S | S | * | * | | | trans | -165.3 | 119.1 | 177.8 | -66.6 | 0 | 0 | 0 | 0 | 109.3 | | |
| 144 | P | 44.3 | Very low | 36.5 | Very low | 120 Ų | 120 | 131.9 Ų | 131.9 | 78% | 0.779 | 77% | 0.77 | S | S | * | * | | | | -149.2 | 172.6 | 83.5 | 38.2 | -18.5 | 0 | 0 | 0 | 115.9 | | |
| 145 | G | 31 | Very low | 35.6 | Very low | 69 Ų | 69 | 131.7 Ų | 131.7 | 71% | 0.711 | 76% | 0.763 | S | S | * | * | | | trans | -91.2 | -165.6 | -178.4 | 0 | 0 | 0 | 0 | 0 | 115 | | |
| 146 | L | 32.9 | Very low | 35 | Very low | 170 Ų | 170 | 133.8 Ų | 133.8 | 89% | 0.89 | 77% | 0.769 | S | S | * | * | | | trans | -175.2 | 134.8 | 154.4 | -102.8 | 175.1 | 0 | 0 | 0 | 114 | | |
| 147 | V | 30.4 | Very low | 34.6 | Very low | 134 Ų | 134 | 133.7 Ų | 133.7 | 81% | 0.812 | 76% | 0.764 | S | S | * | * | | | trans | 60.3 | 147.3 | 145.5 | 89.1 | 0 | 0 | 0 | 0 | 123.2 | | |
| 148 | S | 38 | Very low | 34.4 | Very low | 97 Ų | 97 | 134.4 Ų | 134.4 | 68% | 0.678 | 76% | 0.763 | S | S | * | * | | | trans | -87.7 | 164.6 | 173.9 | 176.9 | 0 | 0 | 0 | 0 | 112.4 | | |
| 149 | P | 44.4 | Very low | 33.9 | Very low | 107 Ų | 107 | 132.8 Ų | 132.8 | 70% | 0.695 | 76% | 0.759 | S | S | * | * | | | | -148.9 | 152.3 | 114.3 | 37.5 | -21.6 | 0 | 0 | 0 | 117.8 | | |
| 150 | N | 27.3 | Very low | 33.5 | Very low | 155 Ų | 155 | 133.1 Ų | 133.1 | 83% | 0.829 | 76% | 0.76 | S | S | * | * | | | trans | 68.6 | 117.7 | 143.1 | -68.4 | -11.1 | 0 | 0 | 0 | 123.4 | | |
| 151 | E | 34.1 | Very low | 33.3 | Very low | 173 Ų | 173 | 133.1 Ų | 133.1 | 81% | 0.808 | 76% | 0.761 | S | S | * | * | | | trans | -67.1 | -179.7 | 140.5 | -114.4 | -153 | 83.2 | 0 | 0 | 111.5 | | |
| 152 | P | 46.5 | Very low | 33.1 | Very low | 106 Ų | 106 | 132.4 Ų | 132.4 | 69% | 0.688 | 76% | 0.762 | S | S | * | * | | | cis | -134.1 | 176 | 11.3 | 42.5 | -26.8 | 0 | 0 | 0 | 116.1 | | |
| 153 | L | 30.3 | Very low | 33.4 | Very low | 166 Ų | 166 | 130.5 Ų | 130.5 | 87% | 0.869 | 76% | 0.76 | S | S | * | * | | | trans | -163 | 134.1 | 139 | -111.4 | 174.8 | 0 | 0 | 0 | 113.1 | | |
| 154 | Q | 30 | Very low | 33.4 | Very low | 165 Ų | 165 | 132.8 Ų | 132.8 | 77% | 0.771 | 77% | 0.766 | S | S | * | * | | | trans | -86 | 178.4 | 163.9 | -48.5 | 177.3 | -21 | 0 | 0 | 109.1 | | |
| 155 | L | 28.2 | Very low | 33.1 | Very low | 124 Ų | 124 | 134.4 Ų | 134.4 | 65% | 0.649 | 77% | 0.774 | S | S | * | * | | | cis | -158.7 | 162.9 | 0.3 | -163.2 | 84.2 | 0 | 0 | 0 | 106.2 | | |
| 156 | H | 30.1 | Very low | 33.2 | Very low | 187 Ų | 187 | 138.5 Ų | 138.5 | 87% | 0.866 | 78% | 0.779 | S | S | * | * | | | | -170.8 | 158.7 | 122.3 | -108.6 | -80.3 | 0 | 0 | 0 | 111.4 | | |
| 157 | H | 29.5 | Very low | 33.1 | Very low | 145 Ų | 145 | 133.4 Ų | 133.4 | 67% | 0.671 | 77% | 0.768 | S | S | * | * | | | trans | -152.4 | 160.7 | -164.3 | 156.5 | -106 | 0 | 0 | 0 | 110 | T159 | H157-T159 PolarHBondContact CE1-OG1 2.9Å; H157-T159 PolarHBondContact NE2-OG1 2.87Å |
| 158 | V | 30.5 | Very low | 33.1 | Very low | 121 Ų | 121 | 132 Ų | 132 | 73% | 0.733 | 76% | 0.764 | S | S | * | * | | | trans | 136.8 | 146.2 | 152.2 | 163.9 | 0 | 0 | 0 | 0 | 112.7 | | |
| 159 | T | 28.6 | Very low | 32.9 | Very low | 92 Ų | 92 | 133.7 Ų | 133.7 | 56% | 0.564 | 77% | 0.77 | S | S | * | * | | | cis | -171.4 | 168 | -38.6 | -60.8 | 0 | 0 | 0 | 0 | 107.4 | H157 | H157-T159 PolarHBondContact CE1-OG1 2.9Å; H157-T159 PolarHBondContact NE2-OG1 2.87Å |
| 160 | Q | 30.1 | Very low | 32.5 | Very low | 189 Ų | 189 | 135.6 Ų | 135.6 | 88% | 0.883 | 77% | 0.77 | S | S | * | * | | | trans | 88.7 | 142.1 | 163.4 | -48.1 | -176.1 | 28.9 | 0 | 0 | 117.8 | | |
| 161 | G | 29 | Very low | 32.9 | Very low | 67 Ų | 67 | 134.5 Ų | 134.5 | 69% | 0.691 | 76% | 0.759 | S | S | * | * | | | cis | 170 | 156.1 | -12.8 | 0 | 0 | 0 | 0 | 0 | 117.1 | | |
| 162 | S | 32.2 | Very low | 32.7 | Very low | 123 Ų | 123 | 132.9 Ų | 132.9 | 86% | 0.86 | 75% | 0.751 | S | S | * | * | | | trans | 79.8 | 129.2 | 149.2 | -58.5 | 0 | 0 | 0 | 0 | 124.9 | | |
| 163 | S | 35.5 | Very low | 31.7 | Very low | 105 Ų | 105 | 137.4 Ų | 137.4 | 73% | 0.734 | 76% | 0.756 | S | S | * | * | | | trans | 84.5 | 97.6 | 135.3 | -63.3 | 0 | 0 | 0 | 0 | 125 | | |
| 164 | L | 38.2 | Very low | 31.7 | Very low | 173 Ų | 173 | 139 Ų | 139 | 91% | 0.906 | 75% | 0.752 | S | S | * | * | | | | 41.4 | 128.3 | 112.9 | -58.9 | 172.3 | 0 | 0 | 0 | 122.6 | | |
| 165 | V | 37.8 | Very low | 33.1 | Very low | 154 Ų | 154 | 135.6 Ų | 135.6 | 93% | 0.933 | 74% | 0.744 | S | S | * | * | | | trans | -152.7 | 169.4 | 139.9 | 77.1 | 0 | 0 | 0 | 0 | 111.2 | | |
| 166 | N | 32.9 | Very low | 33.4 | Very low | 155 Ų | 155 | 136.5 Ų | 136.5 | 83% | 0.829 | 75% | 0.745 | S | S | * | * | | | trans | -142.1 | 159.7 | -159.2 | 176.7 | 32.5 | 0 | 0 | 0 | 113.9 | | |
| 167 | G | 31.4 | Very low | 33.6 | Very low | 64 Ų | 64 | 134.9 Ų | 134.9 | 66% | 0.66 | 74% | 0.738 | S | S | * | * | | | trans | 132.1 | 112.3 | 171.4 | 0 | 0 | 0 | 0 | 0 | 112.8 | | |
| 168 | S | 30.1 | Very low | 33.8 | Very low | 105 Ų | 105 | 131.7 Ų | 131.7 | 73% | 0.734 | 74% | 0.736 | S | S | * | * | | | cis | 87.7 | 113.3 | 13.2 | -158.5 | 0 | 0 | 0 | 0 | 117.4 | | |
| 169 | V | 34.8 | Very low | 33.9 | Very low | 132 Ų | 132 | 133.4 Ų | 133.4 | 80% | 0.8 | 74% | 0.736 | S | S | * | * | | | trans | 167.1 | 107.7 | 157.3 | 143.4 | 0 | 0 | 0 | 0 | 107.2 | | |
| 170 | H | 36.1 | Very low | 34.1 | Very low | 147 Ų | 147 | 136 Ų | 136 | 68% | 0.681 | 74% | 0.742 | S | S | * | * | | | | 83.8 | 137.9 | 82.5 | -97.6 | -129.9 | 0 | 0 | 0 | 114.5 | | |
| 171 | H | 35.5 | Very low | 34.1 | Very low | 132 Ų | 132 | 134.1 Ų | 134.1 | 61% | 0.611 | 73% | 0.733 | S | S | * | * | | | cis | -171.7 | 161.6 | 0.3 | -147.4 | 34.9 | 0 | 0 | 0 | 115.1 | | |
| 172 | Q | 29.1 | Very low | 34.1 | Very low | 138 Ų | 138 | 138.8 Ų | 138.8 | 65% | 0.645 | 74% | 0.737 | S | S | * | * | | | trans | 71.4 | 158 | 157.1 | -49.8 | -163.1 | -31.8 | 0 | 0 | 121.1 | | |
| 173 | Y | 26.1 | Very low | 34.2 | Very low | 201 Ų | 201 | 137.6 Ų | 137.6 | 79% | 0.788 | 73% | 0.728 | S | S | * | * | | | cis | -142.4 | 157.3 | -1.4 | -134 | -66.5 | 0 | 0 | 0 | 111.2 | | |
| 174 | Y | 30.7 | Very low | 33.8 | Very low | 201 Ų | 201 | 139.1 Ų | 139.1 | 79% | 0.788 | 73% | 0.728 | S | S | * | * | | | trans | -98.7 | -175.9 | 172.7 | -132.2 | -132 | 0 | 0 | 0 | 110.7 | | |
| 175 | P | 59.5 | Low | 33.6 | Very low | 92 Ų | 92 | 138.5 Ų | 138.5 | 60% | 0.597 | 73% | 0.725 | S | S | * | * | | | cis | -133.4 | -157.6 | 15.5 | 44.1 | -22.8 | 0 | 0 | 0 | 113.9 | | |
| 176 | Q | 34.7 | Very low | 33.2 | Very low | 143 Ų | 143 | 136 Ų | 136 | 67% | 0.668 | 72% | 0.72 | S | S | * | * | | | cis | -157.5 | -172.6 | 2.9 | -141.8 | 143.9 | -80.8 | 0 | 0 | 107.1 | | |
| 177 | Q | 33.3 | Very low | 33.2 | Very low | 153 Ų | 153 | 136.6 Ų | 136.6 | 72% | 0.715 | 72% | 0.723 | S | S | * | * | | | cis | -162.6 | 150.2 | 5.2 | -171.6 | 157.4 | -84.1 | 0 | 0 | 111.5 | | |
| 178 | A | 32.8 | Very low | 33.9 | Very low | 78 Ų | 78 | 138.6 Ų | 138.6 | 65% | 0.645 | 72% | 0.724 | S | S | * | * | | | trans | 53.9 | 148 | 151 | 0 | 0 | 0 | 0 | 0 | 123.8 | | |
| 179 | H | 32.6 | Very low | 33.7 | Very low | 157 Ų | 157 | 139.8 Ų | 139.8 | 73% | 0.727 | 73% | 0.727 | S | S | * | * | | | cis | -174.5 | 161.1 | -30 | -119.2 | -53 | 0 | 0 | 0 | 111.9 | | |
| 180 | H | 33.3 | Very low | 33.6 | Very low | 148 Ų | 148 | 141.1 Ų | 141.1 | 69% | 0.685 | 73% | 0.729 | S | S | * | * | | | trans | 74 | 152.6 | 162.4 | -64.3 | 14.3 | 0 | 0 | 0 | 116.8 | | |
| 181 | H | 31.3 | Very low | 33.9 | Very low | 148 Ų | 148 | 139.6 Ų | 139.6 | 69% | 0.685 | 73% | 0.732 | S | S | * | * | | | cis | 158.3 | 155.1 | -16.1 | -80.9 | -28 | 0 | 0 | 0 | 104.9 | | |
| 182 | Q | 28.6 | Very low | 33.6 | Very low | 166 Ų | 166 | 139.9 Ų | 139.9 | 78% | 0.776 | 74% | 0.743 | S | S | * | * | | | cis | -176.5 | 138.2 | -9.1 | 162.5 | 179.2 | 29.5 | 0 | 0 | 110.3 | | |
| 183 | S | 33.1 | Very low | 33.7 | Very low | 98 Ų | 98 | 137.5 Ų | 137.5 | 69% | 0.685 | 75% | 0.747 | S | S | * | * | | | trans | 56.6 | 164.9 | 157.7 | -74.6 | 0 | 0 | 0 | 0 | 120.8 | | |
| 184 | D | 27.5 | Very low | 34.2 | Very low | 137 Ų | 137 | 134.2 Ų | 134.2 | 73% | 0.733 | 75% | 0.75 | S | S | * | * | | | cis | -148.3 | -165.2 | -5 | -137.3 | -94.8 | 0 | 0 | 0 | 114.1 | | |
| 185 | L | 34.9 | Very low | 34.1 | Very low | 159 Ų | 159 | 131.3 Ų | 131.3 | 83% | 0.832 | 75% | 0.753 | S | S | * | * | | | trans | -86.4 | 153.6 | -165.7 | -60.3 | 162.6 | 0 | 0 | 0 | 117.6 | | |
| 186 | A | 29.5 | Very low | 32.6 | Very low | 102 Ų | 102 | 130.9 Ų | 130.9 | 84% | 0.843 | 76% | 0.757 | S | S | * | * | | | trans | -178.7 | 142.6 | 130.8 | 0 | 0 | 0 | 0 | 0 | 115.5 | | |
| 187 | L | 32.4 | Very low | 32.3 | Very low | 167 Ų | 167 | 129.4 Ų | 129.4 | 87% | 0.874 | 76% | 0.762 | S | S | * | * | | | trans | -107.2 | 174.6 | 156.1 | -82.4 | 167.4 | 0 | 0 | 0 | 107.6 | | |
| 188 | P | 45.7 | Very low | 32 | Very low | 106 Ų | 106 | 127.1 Ų | 127.1 | 69% | 0.688 | 76% | 0.764 | S | S | * | * | | | cis | -149.7 | -168 | 22.4 | 43.5 | -21.5 | 0 | 0 | 0 | 117.9 | | |
| 189 | T | 26.6 | Very low | 31.9 | Very low | 131 Ų | 131 | 128.9 Ų | 128.9 | 80% | 0.804 | 77% | 0.771 | S | S | * | * | | | trans | 84.7 | 137.5 | 144.7 | -61.8 | 0 | 0 | 0 | 0 | 121.3 | | |
| 190 | L | 32.1 | Very low | 32.6 | Very low | 159 Ų | 159 | 127.6 Ų | 127.6 | 83% | 0.832 | 78% | 0.777 | S | S | * | * | | | trans | -82.5 | 161.4 | 174.9 | -55.3 | 167.3 | 0 | 0 | 0 | 111.7 | | |
| 191 | P | 42 | Very low | 32.4 | Very low | 115 Ų | 115 | 124.7 Ų | 124.7 | 75% | 0.747 | 78% | 0.779 | S | S | * | * | | | | -154.2 | 155.9 | 92.2 | 39.1 | -20.9 | 0 | 0 | 0 | 118 | | |
| 192 | V | 30.2 | Very low | 32.4 | Very low | 138 Ų | 138 | 125.9 Ų | 125.9 | 84% | 0.836 | 79% | 0.786 | S | S | * | * | | | trans | 47.9 | 128.7 | 137.9 | -179.5 | 0 | 0 | 0 | 0 | 120.9 | | |
| 193 | A | 29.8 | Very low | 32.4 | Very low | 89 Ų | 89 | 123.5 Ų | 123.5 | 74% | 0.736 | 78% | 0.783 | S | S | * | * | | | trans | -88 | 154 | 170.6 | 0 | 0 | 0 | 0 | 0 | 113.8 | | |
| 194 | P | 37.5 | Very low | 32.2 | Very low | 132 Ų | 132 | 126.7 Ų | 126.7 | 86% | 0.857 | 79% | 0.787 | S | S | * | * | | | trans | -105 | 161.9 | 155.2 | -6.1 | 26.7 | 0 | 0 | 0 | 114.2 | | |
| 195 | V | 28.8 | Very low | 32.3 | Very low | 139 Ų | 139 | 131.1 Ų | 131.1 | 84% | 0.842 | 79% | 0.793 | S | S | * | * | | | trans | -89.1 | 170.4 | -171.7 | 65.2 | 0 | 0 | 0 | 0 | 113.9 | | |
| 196 | A | 27.9 | Very low | 32.2 | Very low | 83 Ų | 83 | 128.4 Ų | 128.4 | 69% | 0.686 | 79% | 0.786 | S | S | * | * | | | trans | 87.8 | 108.9 | 150.1 | 0 | 0 | 0 | 0 | 0 | 121.4 | | |
| 197 | S | 27.5 | Very low | 32.3 | Very low | 112 Ų | 112 | 132 Ų | 132 | 78% | 0.783 | 79% | 0.79 | S | S | * | * | | | | 81.5 | 148.4 | 117.4 | -163.8 | 0 | 0 | 0 | 0 | 121.8 | | |
| 198 | S | 28.8 | Very low | 32.2 | Very low | 106 Ų | 106 | 129.6 Ų | 129.6 | 74% | 0.741 | 78% | 0.781 | S | S | * | * | | | trans | 97.1 | 100.1 | 150.8 | -36.5 | 0 | 0 | 0 | 0 | 118.2 | | |
| 199 | S | 29.7 | Very low | 31.5 | Very low | 115 Ų | 115 | 134.2 Ų | 134.2 | 80% | 0.804 | 79% | 0.787 | S | S | * | * | | | trans | -69.5 | 161.3 | 146.4 | -43.4 | 0 | 0 | 0 | 0 | 109.9 | | |
| 200 | P | 47.4 | Very low | 31.5 | Very low | 130 Ų | 130 | 135.8 Ų | 135.8 | 84% | 0.844 | 79% | 0.785 | S | S | * | * | | | | -143.3 | -176.8 | 86.8 | 37 | -19.7 | 0 | 0 | 0 | 114.3 | | |
| 201 | A | 29.3 | Very low | 31.3 | Very low | 87 Ų | 87 | 134.5 Ų | 134.5 | 72% | 0.719 | 78% | 0.779 | S | S | * | * | | | trans | -105.5 | 162.2 | -167.4 | 0 | 0 | 0 | 0 | 0 | 115.3 | | |
| 202 | M | 30.2 | Very low | 31.5 | Very low | 172 Ų | 172 | 134.6 Ų | 134.6 | 85% | 0.847 | 78% | 0.779 | S | S | * | * | | | trans | -139.5 | 125.4 | 158.8 | -59.4 | -67.5 | 172 | 0 | 0 | 105.5 | | |
| 203 | V | 29.8 | Very low | 31.3 | Very low | 117 Ų | 117 | 136.7 Ų | 136.7 | 71% | 0.709 | 78% | 0.777 | S | S | * | * | | | | 60.4 | 118.7 | 78.2 | 177.8 | 0 | 0 | 0 | 0 | 110.2 | | |
| 204 | Q | 27.8 | Very low | 32.1 | Very low | 165 Ų | 165 | 137.8 Ų | 137.8 | 77% | 0.771 | 78% | 0.777 | S | S | * | * | | | cis | -164.5 | 142.2 | 49.7 | -152.5 | 163.5 | 97.9 | 0 | 0 | 116 | | |
| 205 | R | 30.5 | Very low | 31.7 | Very low | 229 Ų | 229 | 136.5 Ų | 136.5 | 86% | 0.864 | 78% | 0.777 | S | S | * | * | | | trans | 41.1 | 151 | 153.2 | -82.2 | -171.7 | 162 | 125 | -1.2 | 124.8 | | |
| 206 | P | 33.5 | Very low | 31.5 | Very low | 103 Ų | 103 | 133 Ų | 133 | 67% | 0.669 | 77% | 0.77 | S | S | * | * | | | trans | -102.4 | 176.3 | 177.1 | 42.5 | -36.7 | 0 | 0 | 0 | 114.6 | | |
| 207 | L | 29.8 | Very low | 31.5 | Very low | 177 Ų | 177 | 134.2 Ų | 134.2 | 93% | 0.927 | 78% | 0.78 | S | S | * | * | | | trans | -118.4 | 168.2 | 152 | -70.1 | 176.5 | 0 | 0 | 0 | 110.2 | | |
| 208 | V | 31.2 | Very low | 31.6 | Very low | 116 Ų | 116 | 134.3 Ų | 134.3 | 70% | 0.703 | 78% | 0.78 | S | S | * | * | | | trans | -136.4 | 172.8 | -161.7 | -169.7 | 0 | 0 | 0 | 0 | 109.6 | | |
| 209 | Y | 30.1 | Very low | 31.8 | Very low | 203 Ų | 203 | 133.1 Ų | 133.1 | 80% | 0.796 | 78% | 0.777 | S | S | * | * | | | trans | 82.3 | 142.9 | 178.1 | -73.6 | -103.5 | 0 | 0 | 0 | 115.3 | | |
| 210 | E | 26.8 | Very low | 32.1 | Very low | 164 Ų | 164 | 133.4 Ų | 133.4 | 77% | 0.766 | 78% | 0.776 | S | S | * | * | | | cis | -146.3 | 167 | -4.7 | -155.7 | 175.6 | 127.5 | 0 | 0 | 111 | | |
| 211 | N | 29.3 | Very low | 31.2 | Very low | 132 Ų | 132 | 132 Ų | 132 | 71% | 0.706 | 78% | 0.776 | S | S | * | * | | | trans | -129.2 | 130.9 | 174.1 | 158.3 | 80.6 | 0 | 0 | 0 | 111.8 | | |
| 212 | P | 45.1 | Very low | 31.2 | Very low | 117 Ų | 117 | 134 Ų | 134 | 76% | 0.76 | 78% | 0.779 | S | S | * | * | | | trans | -118.6 | 121.3 | 159.6 | 33.6 | -20.6 | 0 | 0 | 0 | 114.1 | | |
| 213 | K | 27.4 | Very low | 31.1 | Very low | 182 Ų | 182 | 132.2 Ų | 132.2 | 79% | 0.791 | 77% | 0.773 | S | S | * | * | | | trans | -74.2 | 152.4 | 157 | -172.9 | 168 | 177.1 | 177.7 | 0 | 107.5 | | |
| 214 | P | 45.8 | Very low | 31.2 | Very low | 113 Ų | 113 | 133.7 Ų | 133.7 | 73% | 0.734 | 78% | 0.775 | S | S | * | * | | | | -159.3 | 179 | 54.8 | 44.7 | -22.7 | 0 | 0 | 0 | 120.8 | | |
| 215 | A | 28.1 | Very low | 31.4 | Very low | 104 Ų | 104 | 133.9 Ų | 133.9 | 86% | 0.86 | 78% | 0.776 | S | S | * | * | | | trans | 67.2 | 157.7 | 158.2 | 0 | 0 | 0 | 0 | 0 | 118.2 | | |
| 216 | G | 26.3 | Very low | 31.3 | Very low | 67 Ų | 67 | 130.6 Ų | 130.6 | 69% | 0.691 | 78% | 0.776 | S | S | * | * | | | cis | 162.3 | 147.2 | -11.5 | 0 | 0 | 0 | 0 | 0 | 113.6 | | |
| 217 | A | 28.2 | Very low | 31.2 | Very low | 108 Ų | 108 | 131.7 Ų | 131.7 | 89% | 0.893 | 78% | 0.78 | S | S | * | * | | | trans | 62.5 | 168 | -178.7 | 0 | 0 | 0 | 0 | 0 | 114.4 | | |
| 218 | S | 28.6 | Very low | 31.4 | Very low | 113 Ų | 113 | 130 Ų | 130 | 79% | 0.79 | 78% | 0.777 | S | S | * | * | | | cis | -147.8 | 157.2 | -11.5 | -168.4 | 0 | 0 | 0 | 0 | 109.4 | | |
| 219 | A | 33.4 | Very low | 31.4 | Very low | 82 Ų | 82 | 133.5 Ų | 133.5 | 68% | 0.678 | 78% | 0.783 | S | S | * | * | | | trans | -77.4 | 164.3 | 155.1 | 0 | 0 | 0 | 0 | 0 | 109.8 | | |
| 220 | P | 35.9 | Very low | 31.8 | Very low | 121 Ų | 121 | 129.7 Ų | 129.7 | 79% | 0.786 | 78% | 0.783 | S | S | * | * | | | | -139.3 | 164.6 | 84.4 | 38.9 | -26.1 | 0 | 0 | 0 | 114.6 | | |
| 221 | A | 28 | Very low | 31.8 | Very low | 101 Ų | 101 | 128.3 Ų | 128.3 | 84% | 0.835 | 79% | 0.79 | S | S | * | * | | | trans | -92.4 | 147.2 | 165.6 | 0 | 0 | 0 | 0 | 0 | 110.6 | | |
| 222 | T | 29.9 | Very low | 31.9 | Very low | 127 Ų | 127 | 128.7 Ų | 128.7 | 78% | 0.779 | 79% | 0.792 | S | S | * | * | | | trans | -122.1 | 126.2 | 170.7 | -53.7 | 0 | 0 | 0 | 0 | 109.8 | | |
| 223 | N | 27.5 | Very low | 31 | Very low | 136 Ų | 136 | 129.8 Ų | 129.8 | 73% | 0.727 | 80% | 0.796 | S | S | * | * | | | trans | -96.3 | 125.1 | 176.4 | 172.4 | -6.9 | 0 | 0 | 0 | 109.2 | | |
| 224 | I | 31.5 | Very low | 31.2 | Very low | 148 Ų | 148 | 125.9 Ų | 125.9 | 76% | 0.759 | 79% | 0.792 | S | S | * | * | | | trans | -132.2 | 115.7 | 161.5 | -62.8 | -176.7 | 0 | 0 | 0 | 108.9 | | |
| 225 | Q | 31.5 | Very low | 30.4 | Very low | 169 Ų | 169 | 125.4 Ų | 125.4 | 79% | 0.79 | 80% | 0.798 | S | S | * | * | | | trans | -81.3 | 136.3 | 158.5 | -66.2 | 173.1 | -25.7 | 0 | 0 | 109 | | |
| 226 | N | 29.7 | Very low | 30.5 | Very low | 160 Ų | 160 | 125.4 Ų | 125.4 | 86% | 0.856 | 80% | 0.797 | S | S | * | * | | | trans | -153.9 | 160 | 138.4 | -138.4 | -13.8 | 0 | 0 | 0 | 113.5 | | |
| 227 | V | 31.6 | Very low | 30.8 | Very low | 125 Ų | 125 | 125.5 Ų | 125.5 | 76% | 0.758 | 80% | 0.799 | S | S | * | * | | | trans | -104.3 | 124.7 | -170.9 | 172.9 | 0 | 0 | 0 | 0 | 111.8 | | |
| 228 | V | 33.3 | Very low | 30.9 | Very low | 143 Ų | 143 | 126.1 Ų | 126.1 | 87% | 0.867 | 80% | 0.796 | S | S | * | * | | | trans | -139.2 | 144.7 | 153 | -172.2 | 0 | 0 | 0 | 0 | 108.2 | | |
| 229 | K | 31.4 | Very low | 30.9 | Very low | 189 Ų | 189 | 128.3 Ų | 128.3 | 82% | 0.822 | 80% | 0.799 | S | S | * | * | | | trans | -111.9 | 157 | 176.4 | -98 | -174.7 | 175 | -178.5 | 0 | 111.4 | | |
| 230 | P | 37.5 | Very low | 30.7 | Very low | 123 Ų | 123 | 131.4 Ų | 131.4 | 80% | 0.799 | 81% | 0.81 | S | S | * | * | | | trans | -86.2 | 161.3 | -154.4 | 33.8 | -38.2 | 0 | 0 | 0 | 114.9 | | |
| 231 | C | 28.3 | Very low | 30.4 | Very low | 135 Ų | 135 | 132.1 Ų | 132.1 | 91% | 0.912 | 81% | 0.812 | S | S | * | * | | | trans | -99.6 | 140 | 158.3 | -67.1 | 0 | 0 | 0 | 0 | 109.5 | | |
| 232 | N | 29.7 | Very low | 30.5 | Very low | 139 Ų | 139 | 132.3 Ų | 132.3 | 74% | 0.743 | 81% | 0.814 | S | S | * | * | | | trans | -107.2 | 137.3 | -177.6 | -172.7 | 46.3 | 0 | 0 | 0 | 110.5 | S234 | N232-S234 PolarHBondContact ND2-OG 3.33Š|
| 233 | V | 28.1 | Very low | 30.5 | Very low | 141 Ų | 141 | 132.4 Ų | 132.4 | 86% | 0.855 | 82% | 0.819 | S | S | * | * | | | trans | -127 | 134.5 | 167.3 | -71 | 0 | 0 | 0 | 0 | 108.9 | | |
| 234 | S | 31.2 | Very low | 30.6 | Very low | 99 Ų | 99 | 129.4 Ų | 129.4 | 69% | 0.692 | 82% | 0.821 | S | S | * | * | | | trans | -139.1 | 125.1 | 179.9 | -54.5 | 0 | 0 | 0 | 0 | 108.4 | N232 | N232-S234 PolarHBondContact ND2-OG 3.33Š|
| 235 | A | 27.9 | Very low | 30.7 | Very low | 104 Ų | 104 | 131.6 Ų | 131.6 | 86% | 0.86 | 83% | 0.828 | S | S | * | * | | | trans | -91 | 174.1 | 175.3 | 0 | 0 | 0 | 0 | 0 | 110.9 | | |
| 236 | A | 31.7 | Very low | 30.6 | Very low | 103 Ų | 103 | 130.4 Ų | 130.4 | 85% | 0.851 | 83% | 0.832 | S | S | * | * | | | trans | -54.4 | 149.4 | -170.2 | 0 | 0 | 0 | 0 | 0 | 115.4 | | |
| 237 | G | 31 | Very low | 30.6 | Very low | 70 Ų | 70 | 127.5 Ų | 127.5 | 72% | 0.722 | 83% | 0.83 | S | S | * | * | | | trans | -91.9 | -170.6 | 162.7 | 0 | 0 | 0 | 0 | 0 | 112.3 | | |
| 238 | S | 30.4 | Very low | 30.6 | Very low | 121 Ų | 121 | 130.4 Ų | 130.4 | 85% | 0.846 | 84% | 0.835 | S | S | * | * | | | trans | -147.9 | 146.9 | 171.9 | -57.7 | 0 | 0 | 0 | 0 | 109.5 | | |
| 239 | D | 28.2 | Very low | 30.7 | Very low | 159 Ų | 159 | 128.8 Ų | 128.8 | 85% | 0.85 | 83% | 0.827 | S | S | * | * | | | trans | -82.5 | 149.5 | -166.7 | -54.2 | -86.9 | 0 | 0 | 0 | 114.9 | | |
| 240 | T | 29.3 | Very low | 30.7 | Very low | 146 Ų | 146 | 124.8 Ų | 124.8 | 90% | 0.896 | 82% | 0.823 | S | S | * | * | | | trans | -151.1 | 146.8 | 150 | -44.1 | 0 | 0 | 0 | 0 | 109.4 | | |
| 241 | T | 29.6 | Very low | 31 | Very low | 136 Ų | 136 | 127.3 Ų | 127.3 | 83% | 0.834 | 82% | 0.824 | S | S | * | * | | | trans | -117.9 | 148.1 | -167.5 | 42 | 0 | 0 | 0 | 0 | 113.8 | | |
| 242 | A | 31.1 | Very low | 31.5 | Very low | 106 Ų | 106 | 126 Ų | 126 | 88% | 0.876 | 82% | 0.817 | S | S | * | * | | | trans | -164.3 | 150.8 | 156.8 | 0 | 0 | 0 | 0 | 0 | 111.8 | | |
| 243 | S | 29.2 | Very low | 32.2 | Very low | 128 Ų | 128 | 128.6 Ų | 128.6 | 90% | 0.895 | 82% | 0.824 | S | S | * | * | | | trans | -75.3 | 156.7 | 172.9 | -49.1 | 0 | 0 | 0 | 0 | 111.6 | | |
| 244 | G | 29.6 | Very low | 32.8 | Very low | 73 Ų | 73 | 124.4 Ų | 124.4 | 75% | 0.753 | 80% | 0.804 | S | S | * | * | | | cis | -170.3 | -142.4 | 1.8 | 0 | 0 | 0 | 0 | 0 | 109.1 | | |
| 245 | Q | 33.4 | Very low | 33.3 | Very low | 195 Ų | 195 | 123.4 Ų | 123.4 | 91% | 0.911 | 80% | 0.802 | S | S | * | * | | | cis | -141.1 | -89.8 | -3 | -71.3 | -176.5 | -98.8 | 0 | 0 | 112.4 | | |
| 246 | V | 30.3 | Very low | 34.1 | Very low | 144 Ų | 144 | 125.2 Ų | 125.2 | 87% | 0.873 | 81% | 0.805 | S | S | * | * | | | trans | -145.7 | 129.2 | -163.6 | -180 | 0 | 0 | 0 | 0 | 114.7 | | |
| 247 | A | 30.7 | Very low | 34.9 | Very low | 98 Ų | 98 | 123.9 Ų | 123.9 | 81% | 0.81 | 80% | 0.801 | S | S | * | * | | | trans | -153.8 | 160 | 154 | 0 | 0 | 0 | 0 | 0 | 109.6 | | |
| 248 | Q | 30.3 | Very low | 36.7 | Very low | 186 Ų | 186 | 123.5 Ų | 123.5 | 87% | 0.869 | 79% | 0.788 | S | S | * | * | | | trans | -84.5 | 162.5 | -172.5 | -95.4 | -159.9 | 0.4 | 0 | 0 | 114.8 | | |
| 249 | P | 36.3 | Very low | 38.3 | Very low | 109 Ų | 109 | 129.3 Ų | 129.3 | 71% | 0.708 | 79% | 0.791 | S | S | * | * | | | trans | -91.2 | 137 | -146.8 | 33.6 | -36.4 | 0 | 0 | 0 | 115.6 | | |
| 250 | S | 31.1 | Very low | 39.9 | Very low | 105 Ų | 105 | 130.3 Ų | 130.3 | 73% | 0.734 | 79% | 0.788 | S | S | * | * | | | trans | -137.8 | 133.7 | 159.4 | 59.5 | 0 | 0 | 0 | 0 | 110.8 | | |
| 251 | H | 42.9 | Very low | 42.3 | Very low | 177 Ų | 177 | 133.1 Ų | 133.1 | 82% | 0.819 | 78% | 0.782 | S | S | * | * | | | trans | 39.7 | 100 | 171.5 | -67.3 | -90.2 | 0 | 0 | 0 | 119.1 | Q253 | H251-Q253 PolarHBondContact O-N 3.22Š|
| 252 | S | 39.5 | Very low | 44.3 | Very low | 108 Ų | 108 | 132.7 Ų | 132.7 | 76% | 0.755 | 78% | 0.779 | S | S | * | * | | | trans | -58.5 | 95.9 | 166.7 | -47.9 | 0 | 0 | 0 | 0 | 112.6 | A254 | S252-A254 PolarHBondContact O-N 3.43Š|
| 253 | Q | 44.7 | Very low | 46.2 | Very low | 193 Ų | 193 | 133 Ų | 133 | 90% | 0.902 | 77% | 0.77 | S | S | * | * | | | trans | -72.3 | 112.2 | 171.7 | -67.4 | -164.4 | 16.3 | 0 | 0 | 110.4 | H251 | H251-Q253 PolarHBondContact O-N 3.22Š|
| 254 | A | 40.5 | Very low | 48.3 | Very low | 52 Ų | 52 | 134.1 Ų | 134.1 | 43% | 0.43 | 76% | 0.759 | S | S | . | * | | | trans | -77.9 | 142.6 | 168.6 | 0 | 0 | 0 | 0 | 0 | 110.5 | S252 | S252-A254 PolarHBondContact O-N 3.43Š|
| 255 | A | 41.7 | Very low | 50.4 | Low | 78 Ų | 78 | 135.1 Ų | 135.1 | 65% | 0.645 | 75% | 0.746 | S | S | * | * | | | trans | -53.5 | 144.3 | 178.3 | 0 | 0 | 0 | 0 | 0 | 112.5 | G257 S258 | A255-G257 VanDerWaalsContact C-N 3.33Å; A255-G257 PolarHBondContact O-N 3.45Å; A255-S258 PolarHBondContact O-N 2.95Å |
| 256 | P | 44.9 | Very low | 51.9 | Low | 143 Ų | 143 | 132.7 Ų | 132.7 | 93% | 0.929 | 74% | 0.739 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -70.6 | 82 | -170.4 | 29.2 | -36.4 | 0 | 0 | 0 | 112.5 | | |
| 257 | G | 47.6 | Very low | 53.5 | Low | 75 Ų | 75 | 131.3 Ų | 131.3 | 77% | 0.773 | 73% | 0.732 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 169.9 | -25.4 | 178.6 | 0 | 0 | 0 | 0 | 0 | 114.4 | A255 R259 | A255-G257 VanDerWaalsContact C-N 3.33Å; A255-G257 PolarHBondContact O-N 3.45Å; G257-R259 PolarHBondContact O-N 3.04Å |
| 258 | S | 69.3 | Low | 54.6 | Low | 62 Ų | 62 | 134.1 Ų | 134.1 | 43% | 0.434 | 73% | 0.733 | S | S | . | * | | | trans | -74.9 | 124.3 | 178.7 | -174.7 | 0 | 0 | 0 | 0 | 112.3 | A255 F260 | A255-S258 PolarHBondContact O-N 2.95Å; S258-F260 VanDerWaalsContact C-N 3.27Å; S258-F260 PolarHBondContact OG-N 3.48Å; S258-F260 PolarHBondContact OG-O 3.39Å |
| 259 | R | 64.7 | Low | 55.6 | Low | 243 Ų | 243 | 129.7 Ų | 129.7 | 92% | 0.917 | 72% | 0.723 | S | S | * | * | S | Bend | trans | -76.7 | -12.7 | 164.6 | -78.3 | -165.9 | -69.6 | 177.9 | -3.3 | 113.3 | G257 | G257-R259 PolarHBondContact O-N 3.04Š|
| 260 | F | 61.8 | Low | 56.6 | Low | 179 Ų | 179 | 130.8 Ų | 130.8 | 79% | 0.785 | 72% | 0.718 | S | S | * | * | | | trans | -96.3 | 120.7 | 175.6 | -61.6 | -78 | 0 | 0 | 0 | 109.7 | S258 | S258-F260 VanDerWaalsContact C-N 3.27Å; S258-F260 PolarHBondContact OG-N 3.48Å; S258-F260 PolarHBondContact OG-O 3.39Å |
| 261 | R | 78.8 | Confident | 58.1 | Low | 205 Ų | 205 | 131.1 Ų | 131.1 | 77% | 0.774 | 72% | 0.718 | S | S | * | * | | | trans | -114.7 | 125.5 | 173.8 | -64.1 | -175.6 | 177.6 | -158.2 | -2.2 | 108.5 | V263 | R261-V263 PolarHBondContact O-N 2.94Š|
| 262 | V | 72.9 | Confident | 59.3 | Low | 128 Ų | 128 | 128 Ų | 128 | 78% | 0.776 | 70% | 0.702 | S | S | * | * | | | trans | -82.2 | 107.1 | 172.1 | -179.1 | 0 | 0 | 0 | 0 | 107.5 | | |
| 263 | V | 69.8 | Low | 60.6 | Low | 111 Ų | 111 | 131.8 Ų | 131.8 | 67% | 0.673 | 70% | 0.7 | S | S | * | * | P | Polyproline II helix | trans | -88.1 | 121.9 | 174 | -178.7 | 0 | 0 | 0 | 0 | 108.1 | R261 L265 | R261-V263 PolarHBondContact O-N 2.94Å; V263-L265 HydrophobicContact CG1-CD2 4.36Å |
| 264 | K | 74.4 | Confident | 61.7 | Low | 153 Ų | 153 | 133 Ų | 133 | 67% | 0.665 | 70% | 0.702 | S | S | * | * | P | Polyproline II helix | trans | -76.5 | 119.9 | 169.6 | -177.4 | 178.1 | 176.6 | -177.1 | 0 | 107.8 | | |
| 265 | L | 73.9 | Confident | 63.3 | Low | 93 Ų | 93 | 133 Ų | 133 | 49% | 0.487 | 71% | 0.707 | S | S | . | * | P | Polyproline II helix | trans | -88.1 | 140.1 | 174.6 | -61.7 | 176.9 | 0 | 0 | 0 | 109.9 | V263 T267 F272 | V263-L265 HydrophobicContact CG1-CD2 4.36Å; L265-T267 PolarHBondContact O-N 2.86Å; L265-T267 PolarHBondContact O-OG1 3.43Å; L265-F272 HydrophobicContact CB-CE2 4.04Å; L265-F272 HydrophobicContact CB-CZ 3.68Å; L265-F272 HydrophobicContact CD1-CE1 4.26Å; L265-F272 HydrophobicContact CD1-CE2 4.42Å; L265-F272 HydrophobicContact CD1-CZ 4.08Å |
| 266 | D | 64.9 | Low | 64.9 | Low | 144 Ų | 144 | 141 Ų | 141 | 77% | 0.77 | 72% | 0.721 | S | S | * | * | P | Polyproline II helix | trans | -64.5 | 120.7 | -177.5 | -62.5 | -60.4 | 0 | 0 | 0 | 111.4 | N268 | D266-N268 PolarHBondContact O-N 3.07Š|
| 267 | T | 63.5 | Low | 66.4 | Low | 116 Ų | 116 | 142.3 Ų | 142.3 | 71% | 0.712 | 71% | 0.708 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -86.8 | 37 | -164.5 | -34.6 | 0 | 0 | 0 | 0 | 112.1 | L265 | L265-T267 PolarHBondContact O-N 2.86Å; L265-T267 PolarHBondContact O-OG1 3.43Å |
| 268 | N | 52.3 | Low | 67.8 | Low | 156 Ų | 156 | 144.6 Ų | 144.6 | 83% | 0.834 | 71% | 0.707 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -92.2 | -13.5 | -167.8 | -167.4 | -113.9 | 0 | 0 | 0 | 114.6 | D266 | D266-N268 PolarHBondContact O-N 3.07Š|
| 269 | S | 52.1 | Low | 67.9 | Low | 94 Ų | 94 | 146.8 Ų | 146.8 | 66% | 0.657 | 72% | 0.721 | S | S | * | * | S | Bend | trans | -146.1 | 108.3 | -179.7 | 62.8 | 0 | 0 | 0 | 0 | 113.7 | | |
| 270 | E | 56.7 | Low | 68.1 | Low | 131 Ų | 131 | 139.6 Ų | 139.6 | 61% | 0.612 | 70% | 0.704 | S | S | * | * | S | Bend | trans | 56.5 | 150.3 | 179.8 | -70.6 | -157.6 | -177.3 | 0 | 0 | 118 | F272 R273 | E270-F272 PolarHBondContact O-N 2.9Å; E270-R273 IonicContact OE1-NH2 3.77Å; E270-R273 IonicContact OE2-CZ 3.56Å; E270-R273 IonicContact OE2-NE 3.37Å; E270-R273 PolarHBondContact OE2-NE 3.46Å; E270-R273 IonicContact OE2-NH2 2.84Å; E270-R273 PolarHBondContact OE2-NH2 3.18Å |
| 271 | P | 63.7 | Low | 68.2 | Low | 113 Ų | 113 | 137.7 Ų | 137.7 | 73% | 0.734 | 70% | 0.697 | S | S | * | * | | | trans | -63.6 | 123.6 | 165.8 | -18.3 | 31.8 | 0 | 0 | 0 | 111.1 | R273 | P271-R273 PolarHBondContact O-N 3.05Š|
| 272 | F | 66.9 | Low | 67 | Low | 110 Ų | 110 | 137.3 Ų | 137.3 | 48% | 0.482 | 70% | 0.697 | S | S | . | * | | | trans | -56.5 | 111.4 | -178.1 | -58.3 | -71.3 | 0 | 0 | 0 | 112.2 | L265 E270 W277 | L265-F272 HydrophobicContact CB-CE2 4.04Å; L265-F272 HydrophobicContact CB-CZ 3.68Å; L265-F272 HydrophobicContact CD1-CE1 4.26Å; L265-F272 HydrophobicContact CD1-CE2 4.42Å; L265-F272 HydrophobicContact CD1-CZ 4.08Å; E270-F272 PolarHBondContact O-N 2.9Å; F272-W277 HydrophobicContact CB-CH2 4.47Å; F272-W277 HydrophobicContact CB-CZ2 4.43Å; F272-W277 HydrophobicContact CD1-CH2 4.16Å |
| 273 | R | 66.8 | Low | 66.5 | Low | 188 Ų | 188 | 137.7 Ų | 137.7 | 71% | 0.709 | 69% | 0.686 | S | S | * | * | | | trans | -72.2 | 133.6 | -177 | -57.6 | -174.2 | -169.1 | -140.6 | 2.9 | 111 | E270 P271 G275 | E270-R273 IonicContact OE1-NH2 3.77Å; E270-R273 IonicContact OE2-CZ 3.56Å; E270-R273 IonicContact OE2-NE 3.37Å; E270-R273 PolarHBondContact OE2-NE 3.46Å; E270-R273 IonicContact OE2-NH2 2.84Å; E270-R273 PolarHBondContact OE2-NH2 3.18Å; P271-R273 PolarHBondContact O-N 3.05Å; R273-G275 PolarHBondContact O-N 3.35Å; R273-G275 VanDerWaalsContact O-N 3.11Å |
| 274 | K | 68.8 | Low | 65.1 | Low | 219 Ų | 219 | 141 Ų | 141 | 95% | 0.952 | 69% | 0.694 | S | S | * | * | S | Bend | trans | -61.9 | 110.9 | 173.1 | -177.9 | 179 | 180 | 177.8 | 0 | 109.8 | | |
| 275 | G | 73.8 | Confident | 63.8 | Low | 52 Ų | 52 | 142.1 Ų | 142.1 | 54% | 0.536 | 70% | 0.699 | S | S | . | * | | | trans | -158.1 | -173.1 | -174.7 | 0 | 0 | 0 | 0 | 0 | 113.7 | R273 W277 | R273-G275 PolarHBondContact O-N 3.35Å; R273-G275 VanDerWaalsContact O-N 3.11Å; G275-W277 VanDerWaalsContact O-CD1 3.28Å; G275-W277 PolarHBondContact O-N 3.05Å |
| 276 | R | 75.3 | Confident | 62.5 | Low | 247 Ų | 247 | 146.7 Ų | 146.7 | 93% | 0.932 | 72% | 0.718 | S | S | * | * | | | trans | -87 | 105.2 | 177.4 | -173.4 | -175.6 | -173.9 | -153.1 | 2.1 | 110 | | |
| 277 | W | 77.3 | Confident | 61.3 | Low | 170 Ų | 170 | 145.3 Ų | 145.3 | 64% | 0.644 | 71% | 0.714 | S | S | * | * | | | trans | -78.3 | 135.6 | 177.1 | -61.4 | 83.4 | 0 | 0 | 0 | 111.4 | F272 G275 | F272-W277 HydrophobicContact CB-CH2 4.47Å; F272-W277 HydrophobicContact CB-CZ2 4.43Å; F272-W277 HydrophobicContact CD1-CH2 4.16Å; G275-W277 VanDerWaalsContact O-CD1 3.28Å; G275-W277 PolarHBondContact O-N 3.05Å |
| 278 | T | 76.3 | Confident | 60.1 | Low | 123 Ų | 123 | 144.1 Ų | 144.1 | 76% | 0.755 | 72% | 0.716 | S | S | * | * | | | trans | -101 | 114.2 | 172.5 | -61.7 | 0 | 0 | 0 | 0 | 108.6 | | |
| 279 | C | 72.2 | Confident | 59.2 | Low | 108 Ų | 108 | 144.7 Ų | 144.7 | 73% | 0.73 | 71% | 0.713 | S | S | * | * | | | trans | -87.9 | 120.7 | 174.9 | -61.4 | 0 | 0 | 0 | 0 | 109.8 | | |
| 280 | T | 68.6 | Low | 58.3 | Low | 91 Ų | 91 | 146 Ų | 146 | 56% | 0.558 | 72% | 0.72 | S | S | * | * | | | trans | -98.7 | 124.7 | 172.3 | 30.3 | 0 | 0 | 0 | 0 | 110.6 | Y282 | T280-Y282 PolarHBondContact O-N 3.03Å; T280-Y282 VanDerWaalsContact O-N 3.12Å; T280-Y282 VanDerWaalsContact OG1-CE2 3.23Å; T280-Y282 WeakPolarHBondContact OG1-CE2 3.44Å |
| 281 | E | 62.4 | Low | 57.2 | Low | 139 Ų | 139 | 144.2 Ų | 144.2 | 65% | 0.65 | 73% | 0.727 | S | S | * | * | | | trans | -78.6 | 91.8 | 174 | -174.5 | 175.7 | -121.6 | 0 | 0 | 109.2 | Y283 | E281-Y283 HydrophobicContact CG-CD2 4.35Å; E281-Y283 HydrophobicContact CG-CE2 3.81Å; E281-Y283 PolarHBondContact O-N 3.22Å; E281-Y283 WeakPolarHBondContact OE2-CE2 3.35Å; E281-Y283 PolarHBondContact OE2-OH 3.45Å |
| 282 | Y | 55 | Low | 55.8 | Low | 197 Ų | 197 | 144.5 Ų | 144.5 | 77% | 0.773 | 73% | 0.729 | S | S | * | * | | | trans | -75 | 105.8 | 170.5 | -74.4 | -83 | 0 | 0 | 0 | 109.7 | T280 E284 | T280-Y282 PolarHBondContact O-N 3.03Å; T280-Y282 VanDerWaalsContact O-N 3.12Å; T280-Y282 VanDerWaalsContact OG1-CE2 3.23Å; T280-Y282 WeakPolarHBondContact OG1-CE2 3.44Å; Y282-E284 PolarHBondContact O-N 2.92Å |
| 283 | Y | 61.4 | Low | 54.8 | Low | 137 Ų | 137 | 144.9 Ų | 144.9 | 54% | 0.537 | 74% | 0.743 | S | S | . | * | | | trans | -70.5 | 114.9 | 159.4 | -70.5 | -80.4 | 0 | 0 | 0 | 108.2 | K66 E281 K285 | K66-Y283 PolarHBondContact NZ-OH 3.47Å; K66-Y283 VanDerWaalsContact NZ-OH 3.1Å; E281-Y283 HydrophobicContact CG-CD2 4.35Å; E281-Y283 HydrophobicContact CG-CE2 3.81Å; E281-Y283 PolarHBondContact O-N 3.22Å; E281-Y283 WeakPolarHBondContact OE2-CE2 3.35Å; E281-Y283 PolarHBondContact OE2-OH 3.45Å; Y283-K285 PolarHBondContact O-N 3.46Å |
| 284 | E | 40.5 | Very low | 53 | Low | 181 Ų | 181 | 145.2 Ų | 145.2 | 85% | 0.846 | 75% | 0.752 | S | S | * | * | | | trans | -66.3 | 83.6 | 166.7 | -172.7 | 169.5 | -151.9 | 0 | 0 | 108.6 | Y282 E286 | Y282-E284 PolarHBondContact O-N 2.92Å; E284-E286 PolarHBondContact O-N 2.77Å |
| 285 | K | 47.1 | Very low | 51.2 | Low | 176 Ų | 176 | 138.7 Ų | 138.7 | 77% | 0.765 | 74% | 0.739 | S | S | * | * | | | trans | -73.3 | 113 | 168.1 | -177.3 | -173.4 | 177.2 | -170.7 | 0 | 106.4 | Y283 V287 | Y283-K285 PolarHBondContact O-N 3.46Å; K285-V287 PolarHBondContact O-N 2.88Å |
| 286 | E | 46.8 | Very low | 49.2 | Very low | 189 Ų | 189 | 140.1 Ų | 140.1 | 88% | 0.883 | 75% | 0.746 | S | S | * | * | | | trans | -44.1 | 103.4 | 179.2 | -170.9 | 175.6 | -162.6 | 0 | 0 | 112.2 | E284 | E284-E286 PolarHBondContact O-N 2.77Š|
| 287 | V | 40.3 | Very low | 47.2 | Very low | 114 Ų | 114 | 139.5 Ų | 139.5 | 69% | 0.691 | 74% | 0.744 | S | S | * | * | | | trans | -141.7 | 122 | 172.1 | 176.7 | 0 | 0 | 0 | 0 | 105.3 | K285 | K285-V287 PolarHBondContact O-N 2.88Š|
| 288 | A | 38.1 | Very low | 45 | Very low | 92 Ų | 92 | 136.5 Ų | 136.5 | 76% | 0.76 | 75% | 0.745 | S | S | * | * | P | Polyproline II helix | trans | -60.9 | 143.3 | -175 | 0 | 0 | 0 | 0 | 0 | 111.9 | P290 | A288-P290 WeakPolarHBondContact O-CD 3.22Š|
| 289 | H | 32.2 | Very low | 43.2 | Very low | 167 Ų | 167 | 137.3 Ų | 137.3 | 77% | 0.773 | 74% | 0.743 | S | S | * | * | P | Polyproline II helix | trans | -65 | 125.1 | 179.8 | -74.6 | 45 | 0 | 0 | 0 | 111.5 | | |
| 290 | P | 33.8 | Very low | 41.3 | Very low | 122 Ų | 122 | 137.8 Ų | 137.8 | 79% | 0.792 | 74% | 0.738 | S | S | * | * | P | Polyproline II helix | trans | -87.7 | 137.3 | 161.9 | 33.9 | -29.7 | 0 | 0 | 0 | 110.9 | A288 | A288-P290 WeakPolarHBondContact O-CD 3.22Š|
| 291 | A | 33.3 | Very low | 39.6 | Very low | 93 Ų | 93 | 138.4 Ų | 138.4 | 77% | 0.769 | 74% | 0.741 | S | S | * | * | P | Polyproline II helix | trans | -83 | 162.5 | 169.3 | 0 | 0 | 0 | 0 | 0 | 111.3 | | |
| 292 | P | 36 | Very low | 38.3 | Very low | 120 Ų | 120 | 134.7 Ų | 134.7 | 78% | 0.779 | 74% | 0.735 | S | S | * | * | | | trans | -94.4 | -170 | -173.3 | 44.6 | -40.2 | 0 | 0 | 0 | 111.3 | | |
| 293 | P | 45.6 | Very low | 37.4 | Very low | 118 Ų | 118 | 130.9 Ų | 130.9 | 77% | 0.766 | 73% | 0.732 | S | S | * | * | | | | -136.4 | 144.4 | -88.3 | 37 | -18.5 | 0 | 0 | 0 | 115.7 | | |
| 294 | E | 28 | Very low | 35.8 | Very low | 195 Ų | 195 | 132.4 Ų | 132.4 | 91% | 0.911 | 74% | 0.744 | S | S | * | * | | | trans | -152.5 | 147.1 | 160.5 | -133.4 | -178.1 | 99.3 | 0 | 0 | 116.8 | | |
| 295 | A | 30.8 | Very low | 35.6 | Very low | 81 Ų | 81 | 127.9 Ų | 127.9 | 67% | 0.669 | 74% | 0.737 | S | S | * | * | | | trans | 46.7 | 97 | 153.7 | 0 | 0 | 0 | 0 | 0 | 123.6 | | |
| 296 | A | 32 | Very low | 34.8 | Very low | 83 Ų | 83 | 128.3 Ų | 128.3 | 69% | 0.686 | 74% | 0.742 | S | S | * | * | | | | 76.4 | 116.6 | 112 | 0 | 0 | 0 | 0 | 0 | 124.7 | | |
| 297 | R | 33.2 | Very low | 33.9 | Very low | 233 Ų | 233 | 122.4 Ų | 122.4 | 88% | 0.879 | 73% | 0.732 | S | S | * | * | | | trans | 74.2 | 151.5 | 130.8 | -65.8 | -175.2 | -175.9 | -161.7 | 2.6 | 120.5 | | |
| 298 | T | 30.6 | Very low | 33.5 | Very low | 108 Ų | 108 | 120.7 Ų | 120.7 | 66% | 0.663 | 74% | 0.737 | S | S | * | * | | | cis | -172.2 | 151.8 | -17.4 | 27 | 0 | 0 | 0 | 0 | 111.9 | | |
| 299 | I | 39.9 | Very low | 33.2 | Very low | 139 Ų | 139 | 124 Ų | 124 | 71% | 0.713 | 74% | 0.742 | S | S | * | * | | | trans | 71.3 | 144.1 | 142.9 | -71.8 | 165.1 | 0 | 0 | 0 | 116.6 | | |
| 300 | D | 31.2 | Very low | 33.2 | Very low | 119 Ų | 119 | 120.7 Ų | 120.7 | 64% | 0.636 | 74% | 0.743 | S | S | * | * | | | cis | -145.5 | -158.2 | 7.9 | -147.1 | 165.6 | 0 | 0 | 0 | 109.5 | | |
| 301 | V | 34.2 | Very low | 33 | Very low | 103 Ų | 103 | 117.9 Ų | 117.9 | 62% | 0.624 | 74% | 0.737 | S | S | * | * | | | cis | -161 | 178.5 | -8 | 71.7 | 0 | 0 | 0 | 0 | 105.9 | | |
| 302 | A | 34.6 | Very low | 33.5 | Very low | 62 Ų | 62 | 119.9 Ų | 119.9 | 51% | 0.512 | 74% | 0.742 | S | S | . | * | | | cis | -154.9 | -135.2 | 3.4 | 0 | 0 | 0 | 0 | 0 | 112.2 | | |
| 303 | V | 35.3 | Very low | 33.4 | Very low | 117 Ų | 117 | 119.4 Ų | 119.4 | 71% | 0.709 | 74% | 0.742 | S | S | * | * | | | | -150.8 | 176.4 | -105.3 | 158.5 | 0 | 0 | 0 | 0 | 111 | | |
| 304 | E | 28.6 | Very low | 32.9 | Very low | 169 Ų | 169 | 119.6 Ų | 119.6 | 79% | 0.79 | 74% | 0.743 | S | S | * | * | | | trans | 70.6 | 123.4 | -176.4 | -48 | -56.6 | 59.8 | 0 | 0 | 118.2 | | |
| 305 | A | 35.7 | Very low | 33 | Very low | 85 Ų | 85 | 115 Ų | 115 | 70% | 0.702 | 74% | 0.738 | S | S | * | * | | | cis | 95.9 | 149.2 | 32.5 | 0 | 0 | 0 | 0 | 0 | 113.3 | | |
| 306 | E | 29.7 | Very low | 33.4 | Very low | 185 Ų | 185 | 117.9 Ų | 117.9 | 86% | 0.864 | 75% | 0.747 | S | S | * | * | | | cis | -153.9 | 174.7 | 15.6 | -156 | -115.5 | 104.4 | 0 | 0 | 113.3 | | |
| 307 | G | 29.7 | Very low | 33.9 | Very low | 66 Ų | 66 | 119.6 Ų | 119.6 | 68% | 0.68 | 75% | 0.751 | S | S | * | * | | | trans | 84.9 | 123.6 | 166.6 | 0 | 0 | 0 | 0 | 0 | 117.4 | | |
| 308 | G | 31.5 | Very low | 33.5 | Very low | 77 Ų | 77 | 112.6 Ų | 112.6 | 79% | 0.794 | 74% | 0.743 | S | S | * | * | | | cis | 152.3 | 176 | 1.6 | 0 | 0 | 0 | 0 | 0 | 110 | | |
| 309 | N | 30.8 | Very low | 33.4 | Very low | 162 Ų | 162 | 114.9 Ų | 114.9 | 87% | 0.866 | 75% | 0.748 | S | S | * | * | | | cis | 179.1 | 137.8 | -20.7 | -178.2 | 21.5 | 0 | 0 | 0 | 106.4 | | |
| 310 | A | 32.5 | Very low | 32.8 | Very low | 97 Ų | 97 | 114.9 Ų | 114.9 | 80% | 0.802 | 75% | 0.749 | S | S | * | * | | | cis | -112.5 | -121.2 | -0.1 | 0 | 0 | 0 | 0 | 0 | 110.6 | | |
| 311 | G | 30.7 | Very low | 32.6 | Very low | 64 Ų | 64 | 116.8 Ų | 116.8 | 66% | 0.66 | 75% | 0.754 | S | S | * | * | | | cis | 153.5 | 170.5 | 0.4 | 0 | 0 | 0 | 0 | 0 | 111.3 | | |
| 312 | P | 43.4 | Very low | 32.8 | Very low | 134 Ų | 134 | 116.8 Ų | 116.8 | 87% | 0.87 | 76% | 0.756 | S | S | * | * | | | cis | -99.2 | 172.7 | -5.1 | 39.6 | -33.5 | 0 | 0 | 0 | 114.5 | | |
| 313 | S | 32.8 | Very low | 32.2 | Very low | 111 Ų | 111 | 124 Ų | 124 | 78% | 0.776 | 77% | 0.771 | S | S | * | * | | | trans | -91.2 | -169.7 | -170.1 | -34.9 | 0 | 0 | 0 | 0 | 113.2 | | |
| 314 | P | 36.3 | Very low | 31.9 | Very low | 122 Ų | 122 | 127 Ų | 127 | 79% | 0.792 | 78% | 0.777 | S | S | * | * | | | cis | -137.7 | 142.6 | -3.8 | 37.6 | -18.5 | 0 | 0 | 0 | 117.3 | | |
| 315 | A | 28.6 | Very low | 32.8 | Very low | 98 Ų | 98 | 123.1 Ų | 123.1 | 81% | 0.81 | 77% | 0.767 | S | S | * | * | | | trans | -161.4 | 50.5 | 168.7 | 0 | 0 | 0 | 0 | 0 | 115.7 | | |
| 316 | V | 39.4 | Very low | 32.6 | Very low | 142 Ų | 142 | 125 Ų | 125 | 86% | 0.861 | 77% | 0.772 | S | S | * | * | | | trans | -168.4 | 167.7 | 172.4 | -100.3 | 0 | 0 | 0 | 0 | 107.5 | | |
| 317 | P | 42.7 | Very low | 32.7 | Very low | 118 Ų | 118 | 121.6 Ų | 121.6 | 77% | 0.766 | 76% | 0.764 | S | S | * | * | | | cis | -140.1 | -154 | 20.4 | 41.5 | -19.8 | 0 | 0 | 0 | 114.7 | | |
| 318 | A | 26 | Very low | 32.8 | Very low | 86 Ų | 86 | 126.5 Ų | 126.5 | 71% | 0.711 | 77% | 0.769 | S | S | * | * | | | trans | 84.8 | 147.6 | 152.7 | 0 | 0 | 0 | 0 | 0 | 118.3 | | |
| 319 | M | 27.4 | Very low | 32.4 | Very low | 157 Ų | 157 | 128.5 Ų | 128.5 | 77% | 0.773 | 76% | 0.762 | S | S | * | * | | | cis | -166.7 | 147.5 | -13.7 | -111.4 | -75.4 | 161.5 | 0 | 0 | 109.7 | | |
| 320 | L | 27.5 | Very low | 32.1 | Very low | 138 Ų | 138 | 129.2 Ų | 129.2 | 72% | 0.723 | 76% | 0.758 | S | S | * | * | | | trans | 61.7 | 176.4 | 159.7 | -54.2 | 166.6 | 0 | 0 | 0 | 115.4 | | |
| 321 | Q | 27.4 | Very low | 31.9 | Very low | 159 Ų | 159 | 130.3 Ų | 130.3 | 74% | 0.743 | 75% | 0.754 | S | S | * | * | | | cis | -149 | 153.3 | -2.1 | -151.3 | 162.1 | -7.2 | 0 | 0 | 110.5 | | |
| 322 | P | 37.7 | Very low | 31.6 | Very low | 103 Ų | 103 | 131.8 Ų | 131.8 | 67% | 0.669 | 76% | 0.755 | S | S | * | * | | | trans | -80.5 | 152.5 | 161.8 | -3.8 | 22.2 | 0 | 0 | 0 | 111.3 | | |
| 323 | Y | 23 | Very low | 30.7 | Very low | 213 Ų | 213 | 130.4 Ų | 130.4 | 84% | 0.835 | 75% | 0.748 | S | S | * | * | | | trans | 166 | 129.5 | 132.3 | -109.3 | -95.9 | 0 | 0 | 0 | 113.5 | | |
| 324 | H | 27.9 | Very low | 30.5 | Very low | 180 Ų | 180 | 133.8 Ų | 133.8 | 83% | 0.833 | 75% | 0.752 | S | S | * | * | | | trans | 58.8 | 164 | 149.1 | -108.3 | -134.2 | 0 | 0 | 0 | 122.8 | | |
| 325 | P | 48.3 | Very low | 30 | Very low | 89 Ų | 89 | 133.9 Ų | 133.9 | 58% | 0.578 | 75% | 0.75 | S | S | * | * | | | trans | -107.3 | -160.2 | -167.5 | 43.2 | -34.4 | 0 | 0 | 0 | 112.9 | | |
| 326 | P | 30.7 | Very low | 29.9 | Very low | 124 Ų | 124 | 135.1 Ų | 135.1 | 81% | 0.805 | 75% | 0.747 | S | S | * | * | | | | -128.5 | 147.1 | 112.3 | 37.2 | -32.2 | 0 | 0 | 0 | 114.4 | | |
| 327 | T | 33.2 | Very low | 29.5 | Very low | 114 Ų | 114 | 134.2 Ų | 134.2 | 70% | 0.699 | 74% | 0.742 | S | S | * | * | | | trans | -87.5 | 176.9 | 154.1 | 42.2 | 0 | 0 | 0 | 0 | 109.8 | | |
| 328 | Q | 30.7 | Very low | 28.7 | Very low | 169 Ų | 169 | 137 Ų | 137 | 79% | 0.79 | 75% | 0.745 | S | S | * | * | | | trans | 76.5 | 144 | 177.5 | -52.5 | -178.7 | -3.2 | 0 | 0 | 113.8 | | |
| 329 | D | 23.3 | Very low | 29.4 | Very low | 119 Ų | 119 | 138 Ų | 138 | 64% | 0.636 | 74% | 0.744 | S | S | * | * | | | cis | -159.3 | 154.2 | -6.5 | -127.6 | -160 | 0 | 0 | 0 | 114 | | |
| 330 | F | 25.9 | Very low | 29.4 | Very low | 177 Ų | 177 | 137.5 Ų | 137.5 | 78% | 0.776 | 75% | 0.75 | S | S | * | * | | | trans | 64.4 | 149.8 | 140.3 | -92.9 | -129.9 | 0 | 0 | 0 | 124.5 | | |
| 331 | T | 26.9 | Very low | 29.4 | Very low | 119 Ų | 119 | 134.9 Ų | 134.9 | 73% | 0.73 | 75% | 0.748 | S | S | * | * | | | trans | 50.8 | 106.5 | 157.8 | 163.4 | 0 | 0 | 0 | 0 | 122.4 | | |
| 332 | S | 25.1 | Very low | 29.4 | Very low | 96 Ų | 96 | 135.7 Ų | 135.7 | 67% | 0.671 | 75% | 0.752 | S | S | * | * | | | | 64.1 | 137.3 | 111.5 | -155.1 | 0 | 0 | 0 | 0 | 122.7 | | |
| 333 | S | 24.9 | Very low | 28.8 | Very low | 105 Ų | 105 | 135.4 Ų | 135.4 | 73% | 0.734 | 75% | 0.752 | S | S | * | * | | | trans | 63.6 | 121.5 | 153.8 | -56.2 | 0 | 0 | 0 | 0 | 117 | | |
| 334 | Q | 27.4 | Very low | 28.9 | Very low | 181 Ų | 181 | 134.9 Ų | 134.9 | 85% | 0.846 | 75% | 0.75 | S | S | * | * | | | | -161 | 166.9 | 63.2 | -85 | -173.5 | -15.8 | 0 | 0 | 113.9 | | |
| 335 | V | 26.9 | Very low | 28.9 | Very low | 124 Ų | 124 | 132.1 Ų | 132.1 | 75% | 0.752 | 74% | 0.741 | S | S | * | * | | | trans | -77.8 | 134 | 162.8 | 172.6 | 0 | 0 | 0 | 0 | 110.2 | | |
| 336 | V | 26.3 | Very low | 27.9 | Very low | 125 Ų | 125 | 132.9 Ų | 132.9 | 76% | 0.758 | 75% | 0.748 | S | S | * | * | | | trans | -136.2 | 116.8 | 155.5 | 175.3 | 0 | 0 | 0 | 0 | 110.1 | | |
| 337 | T | 29.7 | Very low | 28.7 | Very low | 123 Ų | 123 | 132.1 Ų | 132.1 | 76% | 0.755 | 74% | 0.743 | S | S | * | * | | | trans | -103.8 | 135.5 | 172 | -19.9 | 0 | 0 | 0 | 0 | 109.4 | | |
| 338 | Q | 26.4 | Very low | 28.5 | Very low | 175 Ų | 175 | 134.7 Ų | 134.7 | 82% | 0.818 | 74% | 0.744 | S | S | * | * | | | trans | -166.5 | 151.7 | 169.8 | -153.1 | 147.5 | 114.4 | 0 | 0 | 112.7 | | |
| 339 | P | 40.2 | Very low | 28.4 | Very low | 109 Ų | 109 | 133.9 Ų | 133.9 | 71% | 0.708 | 74% | 0.741 | S | S | * | * | | | cis | -119.5 | 165.2 | -20.7 | 24.5 | -5.3 | 0 | 0 | 0 | 114.1 | | |
| 340 | T | 27.9 | Very low | 28.6 | Very low | 145 Ų | 145 | 134.9 Ų | 134.9 | 89% | 0.89 | 75% | 0.751 | S | S | * | * | | | trans | -133.7 | 142 | 145.9 | -48.6 | 0 | 0 | 0 | 0 | 108.1 | | |
| 341 | A | 28.7 | Very low | 28.7 | Very low | 83 Ų | 83 | 131 Ų | 131 | 69% | 0.686 | 75% | 0.751 | S | S | * | * | | | trans | -88.8 | 164.5 | 178.6 | 0 | 0 | 0 | 0 | 0 | 110.1 | | |
| 342 | Q | 27.3 | Very low | 28.8 | Very low | 177 Ų | 177 | 128.6 Ų | 128.6 | 83% | 0.827 | 75% | 0.75 | S | S | * | * | | | cis | -159.5 | 174.5 | 7 | -146.1 | 168.9 | 20.2 | 0 | 0 | 110.8 | | |
| 343 | S | 24.7 | Very low | 29.1 | Very low | 96 Ų | 96 | 130.1 Ų | 130.1 | 67% | 0.671 | 76% | 0.755 | S | S | * | * | | | trans | 76.2 | 100.2 | 149.8 | -63.7 | 0 | 0 | 0 | 0 | 122.4 | | |
| 344 | Y | 24.1 | Very low | 29.5 | Very low | 203 Ų | 203 | 131.1 Ų | 131.1 | 80% | 0.796 | 76% | 0.757 | S | S | * | * | | | | 86.8 | 89.4 | 114.1 | -124.6 | -100.9 | 0 | 0 | 0 | 122.5 | | |
| 345 | I | 29.1 | Very low | 29.8 | Very low | 122 Ų | 122 | 132.1 Ų | 132.1 | 63% | 0.626 | 76% | 0.755 | S | S | * | * | | | | 71.1 | 108.6 | 126 | -82.3 | 159.8 | 0 | 0 | 0 | 121.8 | | |
| 346 | S | 25.8 | Very low | 30 | Very low | 105 Ų | 105 | 133.2 Ų | 133.2 | 73% | 0.734 | 75% | 0.754 | S | S | * | * | | | | 49 | 160 | 102.4 | -97.8 | 0 | 0 | 0 | 0 | 122.4 | | |
| 347 | P | 48.5 | Very low | 30.2 | Very low | 107 Ų | 107 | 135.8 Ų | 135.8 | 70% | 0.695 | 76% | 0.757 | S | S | * | * | | | cis | -143.2 | 167.8 | -3.8 | 37 | -16.2 | 0 | 0 | 0 | 119.4 | | |
| 348 | K | 28.5 | Very low | 30 | Very low | 168 Ų | 168 | 139 Ų | 139 | 73% | 0.73 | 76% | 0.761 | S | S | * | * | | | trans | 79.3 | 117.1 | 140.9 | -83.6 | 177 | 170.5 | -75.8 | 0 | 124.9 | | |
| 349 | E | 28.8 | Very low | 31 | Very low | 153 Ų | 153 | 135.6 Ų | 135.6 | 72% | 0.715 | 75% | 0.754 | S | S | * | * | | | | 45.1 | 134.4 | 125.1 | -60.1 | 176.9 | 87.5 | 0 | 0 | 121.2 | | |
| 350 | V | 27.7 | Very low | 30.5 | Very low | 140 Ų | 140 | 134.7 Ų | 134.7 | 85% | 0.848 | 76% | 0.755 | S | S | * | * | | | | -176.3 | 163.8 | 73.4 | 70 | 0 | 0 | 0 | 0 | 114.6 | | |
| 351 | A | 28 | Very low | 30.6 | Very low | 94 Ų | 94 | 132.2 Ų | 132.2 | 78% | 0.777 | 75% | 0.75 | S | S | * | * | | | trans | 84.8 | 120.5 | 151.1 | 0 | 0 | 0 | 0 | 0 | 124.5 | | |
| 352 | G | 28.5 | Very low | 30.6 | Very low | 69 Ų | 69 | 134.5 Ų | 134.5 | 71% | 0.711 | 76% | 0.755 | S | S | * | * | | | trans | 90.8 | 154.7 | 141.9 | 0 | 0 | 0 | 0 | 0 | 119.8 | | |
| 353 | T | 32.3 | Very low | 30.7 | Very low | 128 Ų | 128 | 130.5 Ų | 130.5 | 79% | 0.785 | 75% | 0.746 | S | S | * | * | | | cis | -169.2 | 128.4 | -14.2 | 17.8 | 0 | 0 | 0 | 0 | 111.9 | | |
| 354 | T | 31.9 | Very low | 31 | Very low | 126 Ų | 126 | 134.5 Ų | 134.5 | 77% | 0.773 | 75% | 0.754 | S | S | * | * | | | trans | 68.3 | 155.9 | 153.1 | -25.4 | 0 | 0 | 0 | 0 | 115.8 | | |
| 355 | Y | 34.1 | Very low | 31.9 | Very low | 202 Ų | 202 | 130.1 Ų | 130.1 | 79% | 0.792 | 75% | 0.751 | S | S | * | * | | | cis | -151.5 | 155.2 | 9 | 30.5 | -93.6 | 0 | 0 | 0 | 113.9 | | |
| 356 | M | 31.3 | Very low | 32.8 | Very low | 148 Ų | 148 | 129.7 Ų | 129.7 | 73% | 0.729 | 76% | 0.756 | S | S | * | * | | | trans | 11.4 | 149.6 | 147.6 | -56.6 | -66.1 | 91.3 | 0 | 0 | 122 | | |
| 357 | Q | 30.3 | Very low | 33.8 | Very low | 178 Ų | 178 | 131 Ų | 131 | 83% | 0.832 | 76% | 0.762 | S | S | * | * | | | cis | -157.1 | -179.9 | 5 | -133.3 | 168.5 | 56.4 | 0 | 0 | 114.8 | | |
| 358 | K | 26.7 | Very low | 33 | Very low | 191 Ų | 191 | 130 Ų | 130 | 83% | 0.83 | 76% | 0.763 | S | S | * | * | | | trans | -98.8 | -172.6 | -178.9 | -131.7 | -171.3 | 165.7 | -176.3 | 0 | 110.3 | | |
| 359 | P | 46.3 | Very low | 33.1 | Very low | 103 Ų | 103 | 129.6 Ų | 129.6 | 67% | 0.669 | 77% | 0.767 | S | S | * | * | | | cis | -144.1 | 173.3 | -7.6 | 41.7 | -22.6 | 0 | 0 | 0 | 119.3 | | |
| 360 | A | 30.9 | Very low | 33.2 | Very low | 90 Ų | 90 | 128.2 Ų | 128.2 | 74% | 0.744 | 77% | 0.774 | S | S | * | * | | | trans | 63.3 | 140.6 | 148.7 | 0 | 0 | 0 | 0 | 0 | 119.9 | | |
| 361 | A | 29.4 | Very low | 33.4 | Very low | 94 Ų | 94 | 129.6 Ų | 129.6 | 78% | 0.777 | 77% | 0.772 | S | S | * | * | | | cis | 80.7 | 142.3 | 28.3 | 0 | 0 | 0 | 0 | 0 | 114.1 | | |
| 362 | V | 28.3 | Very low | 33.9 | Very low | 130 Ų | 130 | 131 Ų | 131 | 79% | 0.788 | 77% | 0.773 | S | S | * | * | | | cis | -161.1 | 165.4 | 13.5 | 79.3 | 0 | 0 | 0 | 0 | 113.5 | | |
| 363 | S | 29 | Very low | 34 | Very low | 93 Ų | 93 | 134.9 Ų | 134.9 | 65% | 0.65 | 78% | 0.777 | S | S | * | * | | | trans | 68.8 | 113.8 | 152.4 | -70.6 | 0 | 0 | 0 | 0 | 125.3 | | |
| 364 | Q | 30.9 | Very low | 35.4 | Very low | 180 Ų | 180 | 133.4 Ų | 133.4 | 84% | 0.841 | 77% | 0.769 | S | S | * | * | | | | 72.4 | 169.4 | 113.2 | -107.8 | -171.9 | -17.7 | 0 | 0 | 120.8 | | |
| 365 | P | 42.8 | Very low | 35.2 | Very low | 111 Ų | 111 | 138.4 Ų | 138.4 | 72% | 0.721 | 78% | 0.775 | S | S | * | * | | | | -129.4 | -139.7 | -111.6 | 50 | -30.4 | 0 | 0 | 0 | 114.5 | | |
| 366 | P | 48.6 | Very low | 35.2 | Very low | 114 Ų | 114 | 133.1 Ų | 133.1 | 74% | 0.74 | 77% | 0.774 | S | S | * | * | | | trans | -110.5 | 168.2 | -138.4 | 42.4 | -27 | 0 | 0 | 0 | 116.7 | | |
| 367 | P | 46.9 | Very low | 35 | Very low | 132 Ų | 132 | 133.3 Ų | 133.3 | 86% | 0.857 | 78% | 0.783 | S | S | * | * | | | trans | -114 | -179.1 | 163.1 | 39.9 | -29.9 | 0 | 0 | 0 | 113.4 | | |
| 368 | A | 31.7 | Very low | 35 | Very low | 86 Ų | 86 | 131 Ų | 131 | 71% | 0.711 | 78% | 0.776 | S | S | * | * | | | trans | -141.6 | 157.3 | -171.4 | 0 | 0 | 0 | 0 | 0 | 115.1 | | |
| 369 | I | 31 | Very low | 36.1 | Very low | 159 Ų | 159 | 127.7 Ų | 127.7 | 82% | 0.815 | 77% | 0.774 | S | S | * | * | | | trans | 60.4 | 118.6 | 156 | -58.5 | 154.8 | 0 | 0 | 0 | 119.1 | | |
| 370 | S | 30.1 | Very low | 35.3 | Very low | 124 Ų | 124 | 130.6 Ų | 130.6 | 87% | 0.867 | 78% | 0.779 | S | S | * | * | | | | 177.5 | 163.1 | 129 | -81.3 | 0 | 0 | 0 | 0 | 114.6 | | |
| 371 | Q | 33.5 | Very low | 36.5 | Very low | 170 Ų | 170 | 130.8 Ų | 130.8 | 79% | 0.794 | 77% | 0.773 | S | S | * | * | | | trans | -100 | 166.1 | -176.3 | -112.2 | -165.8 | 61.5 | 0 | 0 | 112.8 | | |
| 372 | P | 37.8 | Very low | 36.5 | Very low | 124 Ų | 124 | 134.9 Ų | 134.9 | 81% | 0.805 | 78% | 0.775 | S | S | * | * | | | | -156.8 | -165.9 | 81.2 | 41.6 | -18.7 | 0 | 0 | 0 | 118.2 | | |
| 373 | L | 30.8 | Very low | 36.8 | Very low | 150 Ų | 150 | 132.1 Ų | 132.1 | 79% | 0.785 | 77% | 0.773 | S | S | * | * | | | trans | -136.6 | -173.4 | -174 | -95 | 169.8 | 0 | 0 | 0 | 110.3 | | |
| 374 | P | 60.2 | Low | 36.6 | Very low | 97 Ų | 97 | 130.9 Ų | 130.9 | 63% | 0.63 | 78% | 0.775 | S | S | * | * | | | cis | -134.1 | -172.7 | -27.4 | 39.2 | -22 | 0 | 0 | 0 | 114 | | |
| 375 | Y | 28 | Very low | 36.4 | Very low | 230 Ų | 230 | 133.2 Ų | 133.2 | 90% | 0.902 | 78% | 0.778 | S | S | * | * | | | trans | -176 | 174.1 | 130.4 | -108.7 | -71.5 | 0 | 0 | 0 | 113.3 | | |
| 376 | A | 33.9 | Very low | 37.2 | Very low | 92 Ų | 92 | 133 Ų | 133 | 76% | 0.76 | 78% | 0.777 | S | S | * | * | | | trans | -151.7 | 178.6 | -162.5 | 0 | 0 | 0 | 0 | 0 | 115.6 | | |
| 377 | V | 29.1 | Very low | 36.3 | Very low | 151 Ų | 151 | 133.6 Ų | 133.6 | 92% | 0.915 | 78% | 0.778 | S | S | * | * | | | trans | -159.2 | 157.1 | 166.1 | 126.1 | 0 | 0 | 0 | 0 | 112.6 | | |
| 378 | D | 29.8 | Very low | 35.4 | Very low | 130 Ų | 130 | 131.9 Ų | 131.9 | 70% | 0.695 | 77% | 0.769 | S | S | * | * | | | trans | -134.2 | 160.4 | -175.4 | 179.6 | -119.7 | 0 | 0 | 0 | 111.4 | Q380 | D378-Q380 PolarHBondContact OD1-N 3.49Š|
| 379 | P | 50.1 | Low | 35.2 | Very low | 121 Ų | 121 | 134.8 Ų | 134.8 | 79% | 0.786 | 77% | 0.768 | S | S | * | * | | | | -150.3 | 146.4 | 111.7 | 35.9 | -17.2 | 0 | 0 | 0 | 118.7 | | |
| 380 | Q | 29.3 | Very low | 35.1 | Very low | 164 Ų | 164 | 134.7 Ų | 134.7 | 77% | 0.766 | 77% | 0.769 | S | S | * | * | | | trans | -81.3 | -177.9 | 171.9 | -136.5 | -162.7 | -145.6 | 0 | 0 | 114.7 | D378 | D378-Q380 PolarHBondContact OD1-N 3.49Š|
| 381 | P | 54.8 | Low | 35.1 | Very low | 95 Ų | 95 | 135.5 Ų | 135.5 | 62% | 0.617 | 76% | 0.758 | S | S | * | * | | | cis | -133.2 | -157.3 | 47.5 | 44.3 | -24.8 | 0 | 0 | 0 | 113.1 | | |
| 382 | Q | 31.1 | Very low | 34.9 | Very low | 179 Ų | 179 | 133.7 Ų | 133.7 | 84% | 0.836 | 76% | 0.759 | S | S | * | * | | | cis | -166.2 | 171.8 | -5.6 | -134 | 163.9 | -83.3 | 0 | 0 | 107.2 | | |
| 383 | G | 33.8 | Very low | 34.5 | Very low | 72 Ų | 72 | 131.1 Ų | 131.1 | 74% | 0.742 | 76% | 0.756 | S | S | * | * | | | cis | 143.1 | 114.5 | -10.7 | 0 | 0 | 0 | 0 | 0 | 114.2 | | |
| 384 | G | 25.4 | Very low | 34.8 | Very low | 67 Ų | 67 | 130.6 Ų | 130.6 | 69% | 0.691 | 76% | 0.758 | S | S | * | * | | | trans | -175.3 | 163.6 | 179.6 | 0 | 0 | 0 | 0 | 0 | 114.8 | | |
| 385 | Y | 26.9 | Very low | 33.5 | Very low | 229 Ų | 229 | 133.8 Ų | 133.8 | 90% | 0.898 | 77% | 0.768 | S | S | * | * | | | trans | -150.9 | -177.5 | -156.4 | -75.2 | -72.3 | 0 | 0 | 0 | 114.6 | | |
| 386 | P | 58.5 | Low | 34 | Very low | 107 Ų | 107 | 126.9 Ų | 126.9 | 70% | 0.695 | 76% | 0.759 | S | S | * | * | | | cis | -145 | -172.3 | -48.3 | 43.1 | -25.4 | 0 | 0 | 0 | 117.4 | | |
| 387 | T | 30.4 | Very low | 34.6 | Very low | 126 Ų | 126 | 128.8 Ų | 128.8 | 77% | 0.773 | 76% | 0.763 | S | S | * | * | | | trans | 75.8 | 160.7 | 154.3 | -138.5 | 0 | 0 | 0 | 0 | 119.2 | | |
| 388 | S | 26.9 | Very low | 34.8 | Very low | 96 Ų | 96 | 127.9 Ų | 127.9 | 67% | 0.671 | 76% | 0.763 | S | S | * | * | | | cis | -145.3 | 170.3 | 5.3 | -85.9 | 0 | 0 | 0 | 0 | 110 | | |
| 389 | Q | 28.9 | Very low | 34.8 | Very low | 147 Ų | 147 | 125.6 Ų | 125.6 | 69% | 0.687 | 77% | 0.771 | S | S | * | * | | | cis | 106.5 | 149.2 | 14.2 | -90.6 | -68.7 | -6.3 | 0 | 0 | 118.9 | H391 | Q389-H391 PolarHBondContact OE1-ND1 2.85Š|
| 390 | L | 29 | Very low | 33.9 | Very low | 157 Ų | 157 | 123.4 Ų | 123.4 | 82% | 0.822 | 77% | 0.771 | S | S | * | * | | | trans | 85.1 | 147 | 179.5 | -58.1 | 173.6 | 0 | 0 | 0 | 119.7 | | |
| 391 | H | 29.8 | Very low | 34 | Very low | 141 Ų | 141 | 122.8 Ų | 122.8 | 65% | 0.653 | 78% | 0.778 | S | S | * | * | | | cis | -171.5 | 147.4 | -49.3 | -118.3 | 81.6 | 0 | 0 | 0 | 112.5 | Q389 | Q389-H391 PolarHBondContact OE1-ND1 2.85Š|
| 392 | T | 29.3 | Very low | 33 | Very low | 132 Ų | 132 | 127.8 Ų | 127.8 | 81% | 0.81 | 78% | 0.784 | S | S | * | * | | | trans | 68.9 | 129.8 | 154.7 | -50 | 0 | 0 | 0 | 0 | 122.8 | | |
| 393 | G | 29.8 | Very low | 33 | Very low | 71 Ų | 71 | 127.6 Ų | 127.6 | 73% | 0.732 | 78% | 0.783 | S | S | * | * | | | trans | 177.9 | 143.8 | 162 | 0 | 0 | 0 | 0 | 0 | 112.1 | | |
| 394 | V | 35.1 | Very low | 33.4 | Very low | 138 Ų | 138 | 130.1 Ų | 130.1 | 84% | 0.836 | 79% | 0.786 | S | S | * | * | | | trans | -137.8 | 158.4 | -168.7 | -173.6 | 0 | 0 | 0 | 0 | 112.7 | | |
| 395 | I | 34.1 | Very low | 33.6 | Very low | 165 Ų | 165 | 133.3 Ų | 133.3 | 85% | 0.846 | 79% | 0.788 | S | S | * | * | | | trans | 117.4 | 129.9 | 162.2 | -61.1 | 163.5 | 0 | 0 | 0 | 113.3 | | |
| 396 | A | 37.6 | Very low | 34 | Very low | 85 Ų | 85 | 131.9 Ų | 131.9 | 70% | 0.702 | 79% | 0.786 | S | S | * | * | | | trans | -113.1 | 163.7 | 170.1 | 0 | 0 | 0 | 0 | 0 | 110.4 | | |
| 397 | P | 47.6 | Very low | 33 | Very low | 131 Ų | 131 | 134.2 Ų | 134.2 | 85% | 0.851 | 79% | 0.791 | S | S | * | * | | | | -139.7 | 170.5 | 115.3 | 38.9 | -28.1 | 0 | 0 | 0 | 115.1 | | |
| 398 | S | 33.3 | Very low | 33.4 | Very low | 132 Ų | 132 | 136.2 Ų | 136.2 | 92% | 0.923 | 79% | 0.792 | S | S | * | * | | | trans | -77.6 | 153.9 | -171.1 | -40.2 | 0 | 0 | 0 | 0 | 115.5 | | |
| 399 | G | 29.4 | Very low | 34.3 | Very low | 82 Ų | 82 | 137.6 Ų | 137.6 | 85% | 0.845 | 80% | 0.799 | S | S | * | * | | | trans | 163.1 | 130.2 | 162.5 | 0 | 0 | 0 | 0 | 0 | 112.5 | | |
| 400 | G | 31.2 | Very low | 34.7 | Very low | 76 Ų | 76 | 137.4 Ų | 137.4 | 78% | 0.784 | 81% | 0.808 | S | S | * | * | | | trans | -154.9 | 174.3 | 178 | 0 | 0 | 0 | 0 | 0 | 112.3 | | |
| 401 | V | 31 | Very low | 34.9 | Very low | 151 Ų | 151 | 133.6 Ų | 133.6 | 92% | 0.915 | 80% | 0.799 | S | S | * | * | | | trans | -163.9 | 162.4 | 166.2 | 131.2 | 0 | 0 | 0 | 0 | 109 | | |
| 402 | R | 33.3 | Very low | 35.7 | Very low | 200 Ų | 200 | 133 Ų | 133 | 76% | 0.755 | 81% | 0.808 | S | S | * | * | P | Polyproline II helix | trans | -95 | 168 | -166.5 | -42.7 | -168.6 | -47 | -165.6 | 10.5 | 114.7 | D405 | R402-D405 IonicContact NH2-OD2 3.06Å; R402-D405 PolarHBondContact NH2-OD2 3.48Å |
| 403 | Q | 32.8 | Very low | 35.8 | Very low | 174 Ų | 174 | 136.4 Ų | 136.4 | 81% | 0.813 | 81% | 0.812 | S | S | * | * | P | Polyproline II helix | trans | -70.5 | 160.2 | 159 | -67 | -172.3 | 25.6 | 0 | 0 | 111.6 | | |
| 404 | P | 40.8 | Very low | 35.9 | Very low | 125 Ų | 125 | 141.4 Ų | 141.4 | 81% | 0.812 | 82% | 0.816 | S | S | * | * | P | Polyproline II helix | trans | -81 | 156.5 | 179.7 | 33 | -35.9 | 0 | 0 | 0 | 114.2 | | |
| 405 | D | 30.4 | Very low | 36 | Very low | 134 Ų | 134 | 140.4 Ų | 140.4 | 72% | 0.717 | 81% | 0.81 | S | S | * | * | P | Polyproline II helix | trans | -78.2 | 157.7 | -176.1 | -80.6 | -110.1 | 0 | 0 | 0 | 114.8 | R402 | R402-D405 IonicContact NH2-OD2 3.06Å; R402-D405 PolarHBondContact NH2-OD2 3.48Å |
| 406 | F | 34.6 | Very low | 35.7 | Very low | 199 Ų | 199 | 141.7 Ų | 141.7 | 87% | 0.873 | 81% | 0.813 | S | S | * | * | | | trans | -112.7 | 137.4 | 165.2 | -174.2 | -85.9 | 0 | 0 | 0 | 109.2 | | |
| 407 | I | 38.3 | Very low | 35.5 | Very low | 156 Ų | 156 | 144 Ų | 144 | 80% | 0.8 | 82% | 0.818 | S | S | * | * | | | trans | -79.1 | 134.1 | -168.2 | -58.7 | 175.3 | 0 | 0 | 0 | 111.5 | | |
| 408 | Q | 38.5 | Very low | 34.9 | Very low | 168 Ų | 168 | 146 Ų | 146 | 79% | 0.785 | 82% | 0.816 | S | S | * | * | | | trans | -117.9 | 147.2 | 176.1 | -173.6 | 174.4 | 80.4 | 0 | 0 | 110.9 | | |
| 409 | P | 45.5 | Very low | 35 | Very low | 126 Ų | 126 | 145.1 Ų | 145.1 | 82% | 0.818 | 81% | 0.807 | S | S | * | * | | | trans | -72.8 | 144.6 | -179.6 | -17.6 | 32.4 | 0 | 0 | 0 | 114.1 | | |
| 410 | T | 37.5 | Very low | 35.6 | Very low | 142 Ų | 142 | 147.1 Ų | 147.1 | 87% | 0.871 | 81% | 0.805 | S | S | * | * | | | trans | -93.6 | 136.7 | 178.1 | -55.6 | 0 | 0 | 0 | 0 | 112.3 | | |
| 411 | A | 34 | Very low | 35.9 | Very low | 77 Ų | 77 | 149.6 Ų | 149.6 | 64% | 0.636 | 80% | 0.8 | S | S | * | * | | | trans | -113.9 | 154.7 | 167.7 | 0 | 0 | 0 | 0 | 0 | 111 | | |
| 412 | P | 44.7 | Very low | 36.5 | Very low | 130 Ų | 130 | 146.6 Ų | 146.6 | 84% | 0.844 | 78% | 0.783 | S | S | * | * | P | Polyproline II helix | trans | -86 | 151.7 | -167.1 | 33.4 | -36.1 | 0 | 0 | 0 | 114.8 | | |
| 413 | F | 32.3 | Very low | 36.6 | Very low | 203 Ų | 203 | 146.2 Ų | 146.2 | 89% | 0.89 | 79% | 0.789 | S | S | * | * | P | Polyproline II helix | trans | -87.3 | 146.3 | 172.4 | -74.3 | -95.7 | 0 | 0 | 0 | 112.3 | | |
| 414 | Q | 30.8 | Very low | 36.7 | Very low | 176 Ų | 176 | 142.7 Ų | 142.7 | 82% | 0.822 | 78% | 0.78 | S | S | * | * | P | Polyproline II helix | trans | -104 | 145.6 | 163.3 | -91.6 | -77.6 | 20.8 | 0 | 0 | 109.7 | | |
| 415 | T | 37.2 | Very low | 36.1 | Very low | 116 Ų | 116 | 144.3 Ų | 144.3 | 71% | 0.712 | 78% | 0.782 | S | S | * | * | | | trans | -127.9 | 125.4 | 178.8 | -68.9 | 0 | 0 | 0 | 0 | 110.6 | V417 | T415-V417 HydrophobicContact CG2-CG2 4.5Š|
| 416 | Q | 29.8 | Very low | 36.7 | Very low | 193 Ų | 193 | 143.5 Ų | 143.5 | 90% | 0.902 | 78% | 0.783 | S | S | * | * | | | trans | -85.6 | 139.3 | 179.3 | -169.3 | -169.7 | 99.7 | 0 | 0 | 110.6 | | |
| 417 | V | 32.8 | Very low | 36.4 | Very low | 132 Ų | 132 | 137 Ų | 137 | 80% | 0.8 | 77% | 0.773 | S | S | * | * | | | trans | -134.2 | 146.1 | 174.6 | -175.1 | 0 | 0 | 0 | 0 | 110.2 | T415 | T415-V417 HydrophobicContact CG2-CG2 4.5Š|
| 418 | Q | 34.2 | Very low | 35.9 | Very low | 175 Ų | 175 | 137.4 Ų | 137.4 | 82% | 0.818 | 78% | 0.775 | S | S | * | * | P | Polyproline II helix | trans | -100.5 | 143.7 | -163.7 | -171.5 | 172.3 | 62.6 | 0 | 0 | 112.6 | | |
| 419 | P | 36.3 | Very low | 35.4 | Very low | 113 Ų | 113 | 134.7 Ų | 134.7 | 73% | 0.734 | 78% | 0.775 | S | S | * | * | P | Polyproline II helix | trans | -92.2 | 142.1 | -175.7 | 34.7 | -34.4 | 0 | 0 | 0 | 114.3 | | |
| 420 | P | 41.3 | Very low | 34.9 | Very low | 123 Ų | 123 | 133 Ų | 133 | 80% | 0.799 | 77% | 0.771 | S | S | * | * | P | Polyproline II helix | trans | -97.9 | 154 | 167.9 | 36.2 | -31.7 | 0 | 0 | 0 | 113.2 | | |
| 421 | L | 38.1 | Very low | 34.6 | Very low | 129 Ų | 129 | 132.3 Ų | 132.3 | 68% | 0.675 | 77% | 0.769 | S | S | * | * | P | Polyproline II helix | trans | -98.3 | 167.5 | 175.4 | -106.4 | 79.9 | 0 | 0 | 0 | 112.9 | | |
| 422 | P | 44.3 | Very low | 34.6 | Very low | 87 Ų | 87 | 135 Ų | 135 | 57% | 0.565 | 78% | 0.778 | S | S | * | * | P | Polyproline II helix | trans | -97.7 | 164.2 | -156.4 | 38.3 | -38.4 | 0 | 0 | 0 | 116 | | |
| 423 | H | 35.1 | Very low | 34.4 | Very low | 192 Ų | 192 | 134.9 Ų | 134.9 | 89% | 0.889 | 78% | 0.777 | S | S | * | * | | | trans | -127.6 | 156 | 162.3 | -61.7 | -20.1 | 0 | 0 | 0 | 109.6 | | |
| 424 | V | 34 | Very low | 34.2 | Very low | 101 Ų | 101 | 128.9 Ų | 128.9 | 61% | 0.612 | 77% | 0.772 | S | S | * | * | | | trans | -123.4 | 131.4 | -157.5 | -83.4 | 0 | 0 | 0 | 0 | 115.3 | | |
| 425 | N | 28.4 | Very low | 34.2 | Very low | 159 Ų | 159 | 128.2 Ų | 128.2 | 85% | 0.85 | 77% | 0.772 | S | S | * | * | | | trans | 56.5 | 177.5 | 147.3 | -103.8 | 2.6 | 0 | 0 | 0 | 119.6 | | |
| 426 | P | 43.3 | Very low | 34.7 | Very low | 116 Ų | 116 | 127.5 Ų | 127.5 | 75% | 0.753 | 77% | 0.77 | S | S | * | * | | | cis | -127.4 | 178.8 | -28.8 | 34.5 | -18.6 | 0 | 0 | 0 | 113.1 | | |
| 427 | G | 27.7 | Very low | 34.6 | Very low | 64 Ų | 64 | 124.7 Ų | 124.7 | 66% | 0.66 | 76% | 0.76 | S | S | * | * | | | trans | 124 | 89.1 | 143.4 | 0 | 0 | 0 | 0 | 0 | 120.7 | | |
| 428 | I | 28.8 | Very low | 34.6 | Very low | 163 Ų | 163 | 126.1 Ų | 126.1 | 84% | 0.836 | 76% | 0.758 | S | S | * | * | | | | 57.2 | 139.8 | 121 | -63.3 | 167 | 0 | 0 | 0 | 121.5 | | |
| 429 | S | 27 | Very low | 34.6 | Very low | 112 Ų | 112 | 125.1 Ų | 125.1 | 78% | 0.783 | 75% | 0.753 | S | S | * | * | | | trans | 79.6 | 124.9 | 161.9 | -74.2 | 0 | 0 | 0 | 0 | 120.7 | | |
| 430 | A | 34.8 | Very low | 35.1 | Very low | 90 Ų | 90 | 125.2 Ų | 125.2 | 74% | 0.744 | 75% | 0.754 | S | S | * | * | | | trans | -85.1 | 151.5 | 150.7 | 0 | 0 | 0 | 0 | 0 | 109.1 | | |
| 431 | P | 32.6 | Very low | 34.7 | Very low | 127 Ų | 127 | 126.6 Ų | 126.6 | 83% | 0.825 | 75% | 0.753 | S | S | * | * | | | | -144.5 | -178.3 | 83.5 | 39.7 | -23.3 | 0 | 0 | 0 | 115.5 | | |
| 432 | V | 33.5 | Very low | 34.2 | Very low | 135 Ų | 135 | 125.4 Ų | 125.4 | 82% | 0.818 | 76% | 0.755 | S | S | * | * | | | trans | -113.3 | 157.1 | 174 | 169.3 | 0 | 0 | 0 | 0 | 107.6 | | |
| 433 | P | 40.3 | Very low | 33.6 | Very low | 127 Ų | 127 | 128.8 Ų | 128.8 | 83% | 0.825 | 77% | 0.767 | S | S | * | * | | | cis | -124.3 | 178.6 | -3.4 | 31.2 | -11.2 | 0 | 0 | 0 | 115.3 | | |
| 434 | G | 27.7 | Very low | 33.3 | Very low | 76 Ų | 76 | 124.9 Ų | 124.9 | 78% | 0.784 | 76% | 0.756 | S | S | * | * | | | trans | -177 | 135.3 | 165.1 | 0 | 0 | 0 | 0 | 0 | 116.9 | | |
| 435 | I | 31.9 | Very low | 33.8 | Very low | 163 Ų | 163 | 125.6 Ų | 125.6 | 84% | 0.836 | 76% | 0.763 | S | S | * | * | | | trans | -151.6 | 152.3 | 178.2 | -72.8 | -179.8 | 0 | 0 | 0 | 105.6 | | |
| 436 | P | 47.8 | Very low | 34.1 | Very low | 101 Ų | 101 | 124.8 Ų | 124.8 | 66% | 0.656 | 76% | 0.757 | S | S | * | * | | | cis | -133.4 | -160.7 | 6.8 | 24.6 | 2.6 | 0 | 0 | 0 | 114.8 | | |
| 437 | L | 27.8 | Very low | 34.2 | Very low | 133 Ų | 133 | 125.2 Ų | 125.2 | 70% | 0.696 | 76% | 0.76 | S | S | * | * | | | trans | 82.3 | 153.6 | 157.7 | -50.5 | -178.3 | 0 | 0 | 0 | 117.1 | | |
| 438 | Q | 31.4 | Very low | 34.4 | Very low | 163 Ų | 163 | 125 Ų | 125 | 76% | 0.762 | 76% | 0.758 | S | S | * | * | | | cis | -148.4 | 174.6 | 5.3 | -143.6 | 167.8 | 106.7 | 0 | 0 | 112.7 | | |
| 439 | H | 34.4 | Very low | 34.6 | Very low | 153 Ų | 153 | 126.6 Ų | 126.6 | 71% | 0.708 | 76% | 0.762 | S | S | * | * | | | trans | -139.1 | 150.4 | -174.1 | 33.2 | -124.4 | 0 | 0 | 0 | 113.1 | | |
| 440 | P | 47.8 | Very low | 34.9 | Very low | 116 Ų | 116 | 125.9 Ų | 125.9 | 75% | 0.753 | 76% | 0.763 | S | S | * | * | | | trans | -144.4 | 164.2 | 145.8 | 33.5 | -16 | 0 | 0 | 0 | 114.4 | | |
| 441 | I | 31.9 | Very low | 34.7 | Very low | 152 Ų | 152 | 125.9 Ų | 125.9 | 78% | 0.779 | 76% | 0.763 | S | S | * | * | | | cis | -164.2 | 141.8 | -17.1 | -105.1 | 161.1 | 0 | 0 | 0 | 108.1 | | |
| 442 | S | 26.8 | Very low | 34.8 | Very low | 103 Ų | 103 | 126.3 Ų | 126.3 | 72% | 0.72 | 76% | 0.763 | S | S | * | * | | | trans | 151.9 | 146.6 | 142.4 | -71.6 | 0 | 0 | 0 | 0 | 112.8 | | |
| 443 | I | 32.3 | Very low | 35.4 | Very low | 158 Ų | 158 | 125.5 Ų | 125.5 | 81% | 0.81 | 76% | 0.76 | S | S | * | * | | | cis | -154.4 | 150.6 | -17.3 | -99.3 | 158.9 | 0 | 0 | 0 | 106.7 | | |
| 444 | T | 28.3 | Very low | 34.9 | Very low | 110 Ų | 110 | 125.7 Ų | 125.7 | 68% | 0.675 | 76% | 0.759 | S | S | * | * | | | trans | -85.8 | -174.7 | 179.4 | 14 | 0 | 0 | 0 | 0 | 113.7 | I446 | T444-I446 HydrophobicContact CG2-CD1 3.91Å; T444-I446 HydrophobicContact CG2-CG1 4.25Å |
| 445 | P | 45.6 | Very low | 35.7 | Very low | 116 Ų | 116 | 127.8 Ų | 127.8 | 75% | 0.753 | 76% | 0.759 | S | S | * | * | | | cis | -120.6 | 166.9 | 10.6 | 13.9 | 14.1 | 0 | 0 | 0 | 115.3 | | |
| 446 | I | 33.7 | Very low | 35.6 | Very low | 142 Ų | 142 | 125 Ų | 125 | 73% | 0.728 | 76% | 0.76 | S | S | * | * | | | | 74.7 | 140.3 | 51.9 | -59.1 | 167.8 | 0 | 0 | 0 | 112.8 | T444 | T444-I446 HydrophobicContact CG2-CD1 3.91Å; T444-I446 HydrophobicContact CG2-CG1 4.25Å |
| 447 | P | 46.2 | Very low | 34.7 | Very low | 125 Ų | 125 | 124.4 Ų | 124.4 | 81% | 0.812 | 76% | 0.764 | S | S | * | * | | | cis | -124.3 | -172.4 | 8.2 | 30.2 | -7.4 | 0 | 0 | 0 | 115.2 | | |
| 448 | G | 31.8 | Very low | 34.8 | Very low | 59 Ų | 59 | 127.3 Ų | 127.3 | 61% | 0.608 | 77% | 0.771 | S | S | * | * | | | cis | 141.6 | 129.3 | -12.1 | 0 | 0 | 0 | 0 | 0 | 116.6 | | |
| 449 | Q | 33.6 | Very low | 34.6 | Very low | 197 Ų | 197 | 125 Ų | 125 | 92% | 0.921 | 77% | 0.768 | S | S | * | * | | | trans | 172.8 | 129.9 | 157.1 | -97.3 | 153.7 | 103.8 | 0 | 0 | 107.5 | | |
| 450 | A | 32.3 | Very low | 34.3 | Very low | 97 Ų | 97 | 122.4 Ų | 122.4 | 80% | 0.802 | 77% | 0.767 | S | S | * | * | | | cis | 87.4 | 136.1 | 35.4 | 0 | 0 | 0 | 0 | 0 | 113.8 | | |
| 451 | A | 31.3 | Very low | 33.3 | Very low | 91 Ų | 91 | 123.5 Ų | 123.5 | 75% | 0.752 | 77% | 0.766 | S | S | * | * | | | cis | -168.9 | -179.1 | -14.1 | 0 | 0 | 0 | 0 | 0 | 109 | | |
| 452 | V | 34.6 | Very low | 33.2 | Very low | 136 Ų | 136 | 124.2 Ų | 124.2 | 82% | 0.824 | 77% | 0.766 | S | S | * | * | | | cis | -134.5 | -72.6 | 5.4 | -152 | 0 | 0 | 0 | 0 | 115.8 | | |
| 453 | P | 45.8 | Very low | 33.9 | Very low | 117 Ų | 117 | 123.9 Ų | 123.9 | 76% | 0.76 | 76% | 0.762 | S | S | * | * | | | trans | -130.2 | 168.6 | -142.5 | 39.4 | -20 | 0 | 0 | 0 | 120.2 | | |
| 454 | T | 30.8 | Very low | 33.6 | Very low | 132 Ų | 132 | 124.9 Ų | 124.9 | 81% | 0.81 | 76% | 0.763 | S | S | * | * | | | trans | -74.6 | 180 | 169.8 | 42.4 | 0 | 0 | 0 | 0 | 112.4 | | |
| 455 | P | 44.7 | Very low | 33.8 | Very low | 120 Ų | 120 | 123.7 Ų | 123.7 | 78% | 0.779 | 76% | 0.757 | S | S | * | * | | | cis | -150.6 | -165.3 | 25.9 | 46.9 | -25.3 | 0 | 0 | 0 | 119.2 | | |
| 456 | A | 29.4 | Very low | 33.6 | Very low | 104 Ų | 104 | 126.6 Ų | 126.6 | 86% | 0.86 | 76% | 0.76 | S | S | * | * | | | trans | 83.1 | 159.7 | 161.9 | 0 | 0 | 0 | 0 | 0 | 118.1 | | |
| 457 | A | 29.3 | Very low | 33.7 | Very low | 88 Ų | 88 | 125.8 Ų | 125.8 | 73% | 0.727 | 76% | 0.764 | S | S | * | * | | | trans | -135.4 | 166.6 | -170.9 | 0 | 0 | 0 | 0 | 0 | 110.7 | | |
| 458 | F | 28.9 | Very low | 33.3 | Very low | 194 Ų | 194 | 126.3 Ų | 126.3 | 85% | 0.851 | 76% | 0.76 | S | S | * | * | | | | 179.1 | 129.8 | 127 | -111.5 | -124.9 | 0 | 0 | 0 | 111.7 | | |
| 459 | T | 27.6 | Very low | 33.6 | Very low | 114 Ų | 114 | 129.5 Ų | 129.5 | 70% | 0.699 | 77% | 0.77 | S | S | * | * | | | | 52.2 | 127.6 | 125.6 | -51.2 | 0 | 0 | 0 | 0 | 122.4 | | |
| 460 | S | 27.5 | Very low | 33.5 | Very low | 99 Ų | 99 | 128.9 Ų | 128.9 | 69% | 0.692 | 76% | 0.764 | S | S | * | * | | | trans | 71.6 | 143 | 145.4 | 177.1 | 0 | 0 | 0 | 0 | 119 | | |
| 461 | L | 27.6 | Very low | 33.2 | Very low | 139 Ų | 139 | 131 Ų | 131 | 73% | 0.728 | 77% | 0.767 | S | S | * | * | | | cis | -160.9 | 142.3 | -7 | -112.2 | 171.3 | 0 | 0 | 0 | 110.2 | | |
| 462 | Q | 29.2 | Very low | 32.9 | Very low | 167 Ų | 167 | 134.2 Ų | 134.2 | 78% | 0.78 | 77% | 0.767 | S | S | * | * | | | trans | 64.7 | -175.3 | 141.5 | -125.2 | -175.8 | -47.6 | 0 | 0 | 118.9 | | |
| 463 | P | 40.6 | Very low | 32.7 | Very low | 96 Ų | 96 | 133.9 Ų | 133.9 | 62% | 0.623 | 76% | 0.759 | S | S | * | * | | | | -128 | 156.4 | -106.1 | 43.2 | -28.3 | 0 | 0 | 0 | 118.1 | | |
| 464 | Q | 26.5 | Very low | 31.8 | Very low | 179 Ų | 179 | 135 Ų | 135 | 84% | 0.836 | 75% | 0.754 | S | S | * | * | | | trans | -158.8 | 143.3 | 151 | -94.2 | -52.8 | -41.1 | 0 | 0 | 110.9 | | |
| 465 | P | 32.3 | Very low | 31.8 | Very low | 85 Ų | 85 | 136.5 Ų | 136.5 | 55% | 0.552 | 75% | 0.752 | S | S | * | * | | | trans | -116.7 | 147.6 | 172.6 | 38.5 | -28.3 | 0 | 0 | 0 | 114.9 | | |
| 466 | H | 41.8 | Very low | 32.1 | Very low | 177 Ų | 177 | 136.4 Ų | 136.4 | 82% | 0.819 | 75% | 0.751 | S | S | * | * | | | trans | 74.9 | 153.1 | 179.1 | -38.5 | 97.7 | 0 | 0 | 0 | 114.3 | | |
| 467 | P | 36.3 | Very low | 32 | Very low | 125 Ų | 125 | 138.5 Ų | 138.5 | 81% | 0.812 | 75% | 0.753 | S | S | * | * | | | | -123.9 | 170.1 | 62.5 | 40.2 | -32.1 | 0 | 0 | 0 | 116 | | |
| 468 | L | 38.6 | Very low | 32 | Very low | 137 Ų | 137 | 137.9 Ų | 137.9 | 72% | 0.717 | 75% | 0.748 | S | S | * | * | | | trans | -104.8 | 156.4 | 161.9 | -140.1 | 84.7 | 0 | 0 | 0 | 109.2 | K470 | L468-K470 HydrophobicContact CD2-CG 4.19Š|
| 469 | P | 37.3 | Very low | 31.9 | Very low | 126 Ų | 126 | 136.3 Ų | 136.3 | 82% | 0.818 | 75% | 0.747 | S | S | * | * | | | | -144.9 | 175.7 | 120.3 | 34.6 | -18.4 | 0 | 0 | 0 | 115 | | |
| 470 | K | 31.4 | Very low | 32 | Very low | 184 Ų | 184 | 139.9 Ų | 139.9 | 80% | 0.8 | 76% | 0.756 | S | S | * | * | | | trans | -127.7 | 142.4 | 179.1 | -53.2 | 172.1 | -177.2 | 174.6 | 0 | 110.9 | L468 | L468-K470 HydrophobicContact CD2-CG 4.19Š|
| 471 | T | 27 | Very low | 32.1 | Very low | 142 Ų | 142 | 138.1 Ų | 138.1 | 87% | 0.871 | 75% | 0.754 | S | S | * | * | | | trans | -154.8 | 174.7 | 164.3 | -37.6 | 0 | 0 | 0 | 0 | 110.3 | | |
| 472 | Q | 25 | Very low | 32.1 | Very low | 158 Ų | 158 | 138.2 Ų | 138.2 | 74% | 0.738 | 76% | 0.76 | S | S | * | * | | | | -162.2 | 128 | -95.6 | -174.4 | -147.2 | -109.7 | 0 | 0 | 113.3 | | |
| 473 | L | 28.7 | Very low | 32.4 | Very low | 128 Ų | 128 | 135.9 Ų | 135.9 | 67% | 0.67 | 76% | 0.76 | S | S | * | * | | | trans | 67.5 | 150.8 | 154.4 | -82.9 | 169.7 | 0 | 0 | 0 | 123.8 | | |
| 474 | Q | 28.1 | Very low | 31.8 | Very low | 141 Ų | 141 | 142.6 Ų | 142.6 | 66% | 0.659 | 77% | 0.774 | S | S | * | * | | | trans | 72.8 | 147.4 | 150.4 | -76.1 | 159.5 | 17.7 | 0 | 0 | 119.5 | | |
| 475 | H | 30 | Very low | 32.2 | Very low | 163 Ų | 163 | 143.6 Ų | 143.6 | 76% | 0.755 | 78% | 0.776 | S | S | * | * | | | cis | -138.6 | 166.3 | 7.3 | -87.5 | 112.5 | 0 | 0 | 0 | 112.8 | | |
| 476 | P | 50.3 | Low | 32.3 | Very low | 118 Ų | 118 | 145 Ų | 145 | 77% | 0.766 | 79% | 0.785 | S | S | * | * | | | trans | -111.4 | 163.7 | -175.8 | 41 | -33.8 | 0 | 0 | 0 | 116.9 | | |
| 477 | V | 29 | Very low | 31.8 | Very low | 148 Ų | 148 | 144.7 Ų | 144.7 | 90% | 0.897 | 79% | 0.788 | S | S | * | * | | | trans | -158.8 | 148.7 | 168.8 | 140.6 | 0 | 0 | 0 | 0 | 109 | | |
| 478 | A | 28.4 | Very low | 31.8 | Very low | 75 Ų | 75 | 145.3 Ų | 145.3 | 62% | 0.62 | 79% | 0.79 | S | S | * | * | | | cis | -167.4 | 154.6 | -30.4 | 0 | 0 | 0 | 0 | 0 | 112 | | |
| 479 | L | 27.9 | Very low | 31.4 | Very low | 161 Ų | 161 | 142.4 Ų | 142.4 | 84% | 0.843 | 79% | 0.786 | S | S | * | * | | | trans | 72.6 | 141.7 | 150.4 | -95.9 | 145.3 | 0 | 0 | 0 | 123.8 | | |
| 480 | Q | 29.2 | Very low | 31 | Very low | 190 Ų | 190 | 144.1 Ų | 144.1 | 89% | 0.888 | 79% | 0.787 | S | S | * | * | | | trans | 71.9 | 116 | 169.4 | -61.8 | -174.4 | -13.7 | 0 | 0 | 118.7 | | |
| 481 | G | 28.3 | Very low | 31.1 | Very low | 62 Ų | 62 | 144.8 Ų | 144.8 | 64% | 0.639 | 79% | 0.793 | S | S | * | * | | | cis | 173 | 157.2 | -12.4 | 0 | 0 | 0 | 0 | 0 | 117.4 | | |
| 482 | T | 28.4 | Very low | 31.3 | Very low | 140 Ų | 140 | 142 Ų | 142 | 86% | 0.859 | 78% | 0.784 | S | S | * | * | | | trans | 69.7 | 151 | 159.3 | 72.4 | 0 | 0 | 0 | 0 | 118.6 | | |
| 483 | P | 34.9 | Very low | 31.5 | Very low | 118 Ų | 118 | 141 Ų | 141 | 77% | 0.766 | 78% | 0.784 | S | S | * | * | | | | -134.7 | 120.1 | -68.9 | 32.5 | -14.3 | 0 | 0 | 0 | 113.6 | | |
| 484 | Y | 29.4 | Very low | 31.5 | Very low | 237 Ų | 237 | 141.7 Ų | 141.7 | 93% | 0.929 | 79% | 0.787 | S | S | * | * | | | trans | -89.6 | 137.6 | 165.3 | -81.2 | -94.2 | 0 | 0 | 0 | 111.1 | | |
| 485 | K | 33.6 | Very low | 31.6 | Very low | 201 Ų | 201 | 143 Ų | 143 | 87% | 0.874 | 79% | 0.794 | S | S | * | * | | | trans | -104.8 | 134.8 | 167.7 | -78.9 | -172.2 | 174.2 | -176.2 | 0 | 110 | | |
| 486 | P | 35.6 | Very low | 32.1 | Very low | 114 Ų | 114 | 140.3 Ų | 140.3 | 74% | 0.74 | 79% | 0.79 | S | S | * | * | | | trans | -77.6 | 146.4 | 172.7 | 32.9 | -34.1 | 0 | 0 | 0 | 111 | | |
| 487 | L | 31.2 | Very low | 31.1 | Very low | 170 Ų | 170 | 141.7 Ų | 141.7 | 89% | 0.89 | 79% | 0.791 | S | S | * | * | | | trans | -97.9 | 90.4 | 176.4 | -150 | 81 | 0 | 0 | 0 | 110.8 | | |
| 488 | T | 35.8 | Very low | 31.2 | Very low | 139 Ų | 139 | 142.7 Ų | 142.7 | 85% | 0.853 | 79% | 0.79 | S | S | * | * | | | trans | -123.1 | 63.9 | 166.4 | -47.5 | 0 | 0 | 0 | 0 | 108.8 | | |
| 489 | A | 30.2 | Very low | 31.4 | Very low | 75 Ų | 75 | 144.4 Ų | 144.4 | 62% | 0.62 | 79% | 0.793 | S | S | * | * | | | trans | -159.4 | 78.9 | 178.9 | 0 | 0 | 0 | 0 | 0 | 111.6 | | |
| 490 | L | 29.7 | Very low | 31.6 | Very low | 163 Ų | 163 | 145.3 Ų | 145.3 | 85% | 0.853 | 80% | 0.798 | S | S | * | * | | | | -164.6 | 110.8 | 129.5 | -129.8 | 79.6 | 0 | 0 | 0 | 110.4 | | |
| 491 | Q | 32.9 | Very low | 31.6 | Very low | 198 Ų | 198 | 139.4 Ų | 139.4 | 93% | 0.925 | 79% | 0.788 | S | S | * | * | | | trans | -119.4 | 144.4 | 151.5 | 177.2 | 169.8 | -12.1 | 0 | 0 | 106.2 | | |
| 492 | A | 31.3 | Very low | 31.8 | Very low | 82 Ų | 82 | 141.1 Ų | 141.1 | 68% | 0.678 | 80% | 0.796 | S | S | * | * | | | trans | 64 | 118.4 | -157.3 | 0 | 0 | 0 | 0 | 0 | 111.3 | | |
| 493 | D | 27.9 | Very low | 31.8 | Very low | 139 Ų | 139 | 141.3 Ų | 141.3 | 74% | 0.743 | 79% | 0.791 | S | S | * | * | | | | -144.2 | 177.8 | 59.7 | -161.5 | 6.8 | 0 | 0 | 0 | 113.9 | | |
| 494 | L | 29 | Very low | 31.5 | Very low | 141 Ų | 141 | 143.1 Ų | 143.1 | 74% | 0.738 | 79% | 0.794 | S | S | * | * | | | trans | 64.5 | 79.5 | 163.5 | -57 | -179.9 | 0 | 0 | 0 | 119.2 | | |
| 495 | Q | 30 | Very low | 31.5 | Very low | 169 Ų | 169 | 136.6 Ų | 136.6 | 79% | 0.79 | 79% | 0.789 | S | S | * | * | | | | -92.6 | 152 | 112.1 | -74.6 | -75.3 | -10.2 | 0 | 0 | 106.8 | | |
| 496 | P | 41.3 | Very low | 31.4 | Very low | 106 Ų | 106 | 135.1 Ų | 135.1 | 69% | 0.688 | 79% | 0.785 | S | S | * | * | | | cis | -139.2 | 169 | 26.9 | 42 | -25.8 | 0 | 0 | 0 | 116.6 | | |
| 497 | L | 28.4 | Very low | 31.4 | Very low | 148 Ų | 148 | 135 Ų | 135 | 78% | 0.775 | 78% | 0.782 | S | S | * | * | | | trans | -155.5 | 73.8 | 130.7 | -152.2 | 123.9 | 0 | 0 | 0 | 114 | | |
| 498 | L | 32.3 | Very low | 32 | Very low | 169 Ų | 169 | 132.7 Ų | 132.7 | 89% | 0.885 | 78% | 0.777 | S | S | * | * | | | trans | -94.2 | 76.8 | 155.2 | -80.8 | 172.6 | 0 | 0 | 0 | 109 | | |
| 499 | T | 32.3 | Very low | 31.7 | Very low | 110 Ų | 110 | 130 Ų | 130 | 68% | 0.675 | 78% | 0.777 | S | S | * | * | | | trans | -162.4 | 109.4 | 163.1 | -70.4 | 0 | 0 | 0 | 0 | 109.8 | | |
| 500 | L | 31.5 | Very low | 31.8 | Very low | 181 Ų | 181 | 130.4 Ų | 130.4 | 95% | 0.948 | 79% | 0.789 | S | S | * | * | | | trans | -151 | 105.9 | 141.7 | -156.3 | 71.1 | 0 | 0 | 0 | 110.1 | | |
| 501 | G | 29.4 | Very low | 31.8 | Very low | 65 Ų | 65 | 126.2 Ų | 126.2 | 67% | 0.67 | 78% | 0.784 | S | S | * | * | | | trans | -134.6 | 137 | 173.3 | 0 | 0 | 0 | 0 | 0 | 110.3 | | |
| 502 | A | 31.8 | Very low | 32.1 | Very low | 98 Ų | 98 | 122.7 Ų | 122.7 | 81% | 0.81 | 78% | 0.782 | S | S | * | * | | | trans | 76.9 | 142.9 | 171 | 0 | 0 | 0 | 0 | 0 | 120.1 | | |
| 503 | N | 29.9 | Very low | 32.6 | Very low | 144 Ų | 144 | 126.8 Ų | 126.8 | 77% | 0.77 | 79% | 0.789 | S | S | * | * | | | trans | 78.1 | 88.4 | 161.1 | -84 | -77.7 | 0 | 0 | 0 | 122.6 | | |
| 504 | L | 28.5 | Very low | 33.3 | Very low | 157 Ų | 157 | 124.6 Ų | 124.6 | 82% | 0.822 | 79% | 0.79 | S | S | * | * | | | | 70.7 | 103.7 | 104.6 | -168.7 | 76.9 | 0 | 0 | 0 | 120.6 | | |
| 505 | A | 29.9 | Very low | 34.2 | Very low | 99 Ų | 99 | 127.2 Ų | 127.2 | 82% | 0.818 | 80% | 0.796 | S | S | * | * | | | trans | -171.3 | 101.6 | 135.3 | 0 | 0 | 0 | 0 | 0 | 115 | | |
| 506 | H | 29.8 | Very low | 34.9 | Very low | 170 Ų | 170 | 124.4 Ų | 124.4 | 79% | 0.787 | 79% | 0.786 | S | S | * | * | | | trans | 27.8 | 109.2 | 137.8 | -155.1 | 73.9 | 0 | 0 | 0 | 122.6 | | |
| 507 | V | 36.5 | Very low | 35.4 | Very low | 112 Ų | 112 | 124.9 Ų | 124.9 | 68% | 0.679 | 79% | 0.787 | S | S | * | * | | | | 71.8 | 141.5 | 126.5 | 156.1 | 0 | 0 | 0 | 0 | 121.4 | | |
| 508 | P | 43.8 | Very low | 36.2 | Very low | 121 Ų | 121 | 126.1 Ų | 126.1 | 79% | 0.786 | 79% | 0.789 | S | S | * | * | | | cis | -141.4 | 174.9 | -29.3 | 42.7 | -25.5 | 0 | 0 | 0 | 116.1 | | |
| 509 | G | 29.3 | Very low | 37.3 | Very low | 84 Ų | 84 | 123.5 Ų | 123.5 | 87% | 0.866 | 78% | 0.775 | S | S | * | * | | | trans | 109.5 | 142.2 | 144.1 | 0 | 0 | 0 | 0 | 0 | 118.3 | | |
| 510 | G | 31.4 | Very low | 38.5 | Very low | 83 Ų | 83 | 124.1 Ų | 124.1 | 86% | 0.856 | 77% | 0.77 | S | S | * | * | | | trans | 143 | -7.5 | 151.1 | 0 | 0 | 0 | 0 | 0 | 122.9 | | |
| 511 | G | 30.8 | Very low | 39.8 | Very low | 74 Ų | 74 | 120.6 Ų | 120.6 | 76% | 0.763 | 75% | 0.752 | S | S | * | * | | | trans | 77.8 | 158.5 | 161.9 | 0 | 0 | 0 | 0 | 0 | 120.7 | | |
| 512 | S | 38.4 | Very low | 40.9 | Very low | 125 Ų | 125 | 120.3 Ų | 120.3 | 87% | 0.874 | 74% | 0.744 | S | S | * | * | | | trans | 64.8 | 148.5 | 166.1 | -69.6 | 0 | 0 | 0 | 0 | 120 | | |
| 513 | M | 41.7 | Very low | 42 | Very low | 167 Ų | 167 | 121.1 Ų | 121.1 | 82% | 0.823 | 73% | 0.731 | S | S | * | * | | | cis | -163.1 | 140.3 | -26.1 | -167.2 | 169.7 | -171.9 | 0 | 0 | 109.7 | K515 | M513-K515 PolarHBondContact O-N 3.18Š|
| 514 | A | 44.2 | Very low | 43.3 | Very low | 93 Ų | 93 | 120.8 Ų | 120.8 | 77% | 0.769 | 72% | 0.723 | S | S | * | * | | | trans | 30.5 | 80.8 | 159.2 | 0 | 0 | 0 | 0 | 0 | 119 | | |
| 515 | K | 46.3 | Very low | 44.7 | Very low | 197 Ų | 197 | 118 Ų | 118 | 86% | 0.857 | 71% | 0.708 | S | S | * | * | | | trans | -152.7 | 4.6 | 167.7 | -121.7 | 171.8 | -172.6 | 177.5 | 0 | 118.8 | M513 | M513-K515 PolarHBondContact O-N 3.18Š|
| 516 | N | 44.8 | Very low | 45.9 | Very low | 109 Ų | 109 | 119 Ų | 119 | 58% | 0.583 | 70% | 0.699 | S | S | * | * | S | Bend | trans | -95.4 | -30.7 | -176.1 | -100.4 | -14.2 | 0 | 0 | 0 | 115.5 | E518 L519 E520 | N516-E518 VanDerWaalsContact C-N 3.26Å; N516-E518 PolarHBondContact O-N 3.45Å; N516-E518 VanDerWaalsContact O-N 3.1Å; N516-L519 PolarHBondContact O-N 3.24Å; N516-E520 PolarHBondContact O-N 2.91Å |
| 517 | T | 52.5 | Low | 47.2 | Very low | 117 Ų | 117 | 116.4 Ų | 116.4 | 72% | 0.718 | 69% | 0.69 | S | S | * | * | H | α-helix | trans | -56.3 | -35.8 | -166 | -41.9 | 0 | 0 | 0 | 0 | 114.2 | N521 | T517-N521 PolarHBondContact O-N 3.38Å |
| 518 | E | 45.7 | Very low | 48.1 | Very low | 173 Ų | 173 | 117.7 Ų | 117.7 | 81% | 0.808 | 69% | 0.688 | S | S | * | * | H | α-helix | trans | -74.5 | -35 | -178.2 | -160.2 | 172.6 | 168.1 | 0 | 0 | 112.2 | N516 A522 | N516-E518 VanDerWaalsContact C-N 3.26Å; N516-E518 PolarHBondContact O-N 3.45Å; N516-E518 VanDerWaalsContact O-N 3.1Å; E518-A522 PolarHBondContact O-N 2.91Å; E518-A522 VanDerWaalsContact O-N 3.1Å |
| 519 | L | 55.2 | Low | 47.8 | Very low | 115 Ų | 115 | 117.8 Ų | 117.8 | 60% | 0.602 | 68% | 0.678 | S | S | * | * | H | α-helix | trans | -71.5 | -41.1 | 178.9 | -159.6 | 86.2 | 0 | 0 | 0 | 111.7 | N516 A522 Q523 | N516-L519 PolarHBondContact O-N 3.24Å; L519-A522 PolarHBondContact O-N 3.45Å; L519-Q523 PolarHBondContact O-N 3Å |
| 520 | E | 56.1 | Low | 48.7 | Very low | 122 Ų | 122 | 120.6 Ų | 120.6 | 57% | 0.57 | 67% | 0.669 | S | S | * | * | H | α-helix | trans | -66.1 | -37.2 | 176 | -71.7 | -174.6 | 81.3 | 0 | 0 | 111.8 | N516 Q523 K524 | N516-E520 PolarHBondContact O-N 2.91Å; E520-Q523 PolarHBondContact O-N 3.46Å; E520-K524 VanDerWaalsContact O-CB 3.31Å; E520-K524 WeakPolarHBondContact O-CB 3.39Å; E520-K524 PolarHBondContact O-N 2.87Å |
| 521 | N | 59 | Low | 49.3 | Very low | 107 Ų | 107 | 120 Ų | 120 | 57% | 0.572 | 66% | 0.663 | S | S | * | * | H | α-helix | trans | -69.1 | -39.9 | 177.7 | -150.9 | 6.1 | 0 | 0 | 0 | 111.5 | T517 K524 L525 | T517-N521 PolarHBondContact O-N 3.38Å; N521-K524 PolarHBondContact O-N 2.96Å; N521-L525 PolarHBondContact O-N 3.33Å |
| 522 | A | 52.3 | Low | 49.8 | Very low | 60 Ų | 60 | 124.2 Ų | 124.2 | 50% | 0.496 | 67% | 0.667 | S | S | . | * | H | α-helix | trans | -62.5 | -42 | 171.2 | 0 | 0 | 0 | 0 | 0 | 112.6 | E518 L519 L525 L526 | E518-A522 PolarHBondContact O-N 2.91Å; E518-A522 VanDerWaalsContact O-N 3.1Å; L519-A522 PolarHBondContact O-N 3.45Å; A522-L525 PolarHBondContact O-N 2.86Å; A522-L526 WeakPolarHBondContact O-CB 3.26Å; A522-L526 PolarHBondContact O-N 2.92Å |
| 523 | Q | 56.5 | Low | 49.9 | Very low | 114 Ų | 114 | 125 Ų | 125 | 53% | 0.533 | 66% | 0.661 | S | S | . | * | H | α-helix | trans | -62 | -42.6 | 172.3 | -86.8 | -169.8 | -21.1 | 0 | 0 | 112.3 | L519 E520 L525 L526 I527 | L519-Q523 PolarHBondContact O-N 3Å; E520-Q523 PolarHBondContact O-N 3.46Å; Q523-L525 VanDerWaalsContact C-N 3.32Å; Q523-L525 PolarHBondContact O-N 3.1Å; Q523-L526 PolarHBondContact O-N 2.88Å; Q523-I527 WeakPolarHBondContact O-CB 3.41Å; Q523-I527 VanDerWaalsContact O-CG1 3.26Å; Q523-I527 WeakPolarHBondContact O-CG1 3.48Å; Q523-I527 PolarHBondContact O-N 3.1Å |
| 524 | K | 56.5 | Low | 49.5 | Very low | 137 Ų | 137 | 121 Ų | 121 | 60% | 0.596 | 66% | 0.662 | S | S | * | * | H | α-helix | trans | -62.7 | -38.5 | 179.7 | -176.4 | 170 | 170.7 | -70.2 | 0 | 112 | E520 N521 Q528 | E520-K524 VanDerWaalsContact O-CB 3.31Å; E520-K524 WeakPolarHBondContact O-CB 3.39Å; E520-K524 PolarHBondContact O-N 2.87Å; N521-K524 PolarHBondContact O-N 2.96Å; K524-Q528 WeakPolarHBondContact O-CB 3.47Å; K524-Q528 PolarHBondContact O-N 3.47Å |
| 525 | L | 57.9 | Low | 49.1 | Very low | 98 Ų | 98 | 124 Ų | 124 | 51% | 0.513 | 66% | 0.664 | S | S | . | * | H | α-helix | trans | -66.7 | -45.7 | 172.8 | -167.7 | 66 | 0 | 0 | 0 | 111.5 | N521 A522 Q523 I527 Q528 H529 | N521-L525 PolarHBondContact O-N 3.33Å; A522-L525 PolarHBondContact O-N 2.86Å; Q523-L525 VanDerWaalsContact C-N 3.32Å; Q523-L525 PolarHBondContact O-N 3.1Å; L525-I527 VanDerWaalsContact C-N 3.28Å; L525-I527 PolarHBondContact O-N 2.92Å; L525-Q528 PolarHBondContact O-N 3Å; L525-H529 PolarHBondContact O-CD2 3.16Å; L525-H529 PolarHBondContact O-N 3.39Å |
| 526 | L | 54.5 | Low | 48.6 | Very low | 122 Ų | 122 | 120.2 Ų | 120.2 | 64% | 0.639 | 66% | 0.66 | S | S | * | * | H | α-helix | trans | -62.5 | -33.1 | 177.6 | -166 | 72.9 | 0 | 0 | 0 | 113 | A522 Q523 | A522-L526 WeakPolarHBondContact O-CB 3.26Å; A522-L526 PolarHBondContact O-N 2.92Å; Q523-L526 PolarHBondContact O-N 2.88Å |
| 527 | I | 57.5 | Low | 48 | Very low | 115 Ų | 115 | 126.7 Ų | 126.7 | 59% | 0.59 | 68% | 0.676 | S | S | * | * | H | α-helix | trans | -74.5 | -37.8 | 175.7 | -71.5 | 165.6 | 0 | 0 | 0 | 111.1 | Q523 L525 | Q523-I527 WeakPolarHBondContact O-CB 3.41Å; Q523-I527 VanDerWaalsContact O-CG1 3.26Å; Q523-I527 WeakPolarHBondContact O-CG1 3.48Å; Q523-I527 PolarHBondContact O-N 3.1Å; L525-I527 VanDerWaalsContact C-N 3.28Å; L525-I527 PolarHBondContact O-N 2.92Å |
| 528 | Q | 56.4 | Low | 46.9 | Very low | 138 Ų | 138 | 129.2 Ų | 129.2 | 65% | 0.645 | 68% | 0.684 | S | S | * | * | H | α-helix | trans | -66.5 | -39.5 | 176.7 | -170.1 | 171 | 16.9 | 0 | 0 | 112.5 | K524 L525 Q530 | K524-Q528 WeakPolarHBondContact O-CB 3.47Å; K524-Q528 PolarHBondContact O-N 3.47Å; L525-Q528 PolarHBondContact O-N 3Å; Q528-Q530 PolarHBondContact O-N 3.1Å |
| 529 | H | 37.6 | Very low | 46.2 | Very low | 124 Ų | 124 | 124.3 Ų | 124.3 | 57% | 0.574 | 68% | 0.68 | S | S | * | * | H | α-helix | trans | -78.5 | -11.4 | -177.3 | -81.4 | -94.1 | 0 | 0 | 0 | 115.2 | L525 G531 | L525-H529 PolarHBondContact O-CD2 3.16Å; L525-H529 PolarHBondContact O-N 3.39Å; H529-G531 PolarHBondContact O-N 3.5Å; H529-G531 VanDerWaalsContact O-N 3.16Å |
| 530 | Q | 47.1 | Very low | 44.9 | Very low | 143 Ų | 143 | 124.3 Ų | 124.3 | 67% | 0.668 | 70% | 0.697 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -67.5 | -10.8 | 176.2 | -89.9 | -177.8 | 96 | 0 | 0 | 114.4 | Q528 L532 | Q528-Q530 PolarHBondContact O-N 3.1Å; Q530-L532 VanDerWaalsContact C-N 3.31Å; Q530-L532 PolarHBondContact O-N 2.89Å |
| 531 | G | 44.7 | Very low | 43.7 | Very low | 71 Ų | 71 | 123.2 Ų | 123.2 | 73% | 0.732 | 71% | 0.709 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -71.3 | -15.1 | 177.8 | 0 | 0 | 0 | 0 | 0 | 115.9 | H529 | H529-G531 PolarHBondContact O-N 3.5Å; H529-G531 VanDerWaalsContact O-N 3.16Å |
| 532 | L | 41.4 | Very low | 42.4 | Very low | 161 Ų | 161 | 128 Ų | 128 | 84% | 0.843 | 73% | 0.728 | S | S | * | * | S | Bend | trans | -120.9 | -1.2 | -168.9 | -123.5 | 72.5 | 0 | 0 | 0 | 116 | Q530 | Q530-L532 VanDerWaalsContact C-N 3.31Å; Q530-L532 PolarHBondContact O-N 2.89Å |
| 533 | L | 40.5 | Very low | 41.3 | Very low | 143 Ų | 143 | 128.9 Ų | 128.9 | 75% | 0.749 | 74% | 0.742 | S | S | * | * | | | trans | -117.4 | 62.1 | -177.8 | -67.8 | 176.8 | 0 | 0 | 0 | 112 | L535 | L533-L535 VanDerWaalsContact C-N 3.26Å; L533-L535 PolarHBondContact O-N 3.36Å |
| 534 | G | 33.7 | Very low | 40.2 | Very low | 82 Ų | 82 | 128.2 Ų | 128.2 | 85% | 0.845 | 76% | 0.757 | S | S | * | * | | | trans | -71.3 | 66.4 | 179.1 | 0 | 0 | 0 | 0 | 0 | 114.5 | | |
| 535 | L | 34.3 | Very low | 39.4 | Very low | 155 Ų | 155 | 126.4 Ų | 126.4 | 81% | 0.812 | 77% | 0.767 | S | S | * | * | | | trans | -70.6 | 124.3 | 171.1 | -73.5 | 169.8 | 0 | 0 | 0 | 110.6 | L533 R537 | L533-L535 VanDerWaalsContact C-N 3.26Å; L533-L535 PolarHBondContact O-N 3.36Å; L535-R537 PolarHBondContact O-N 3.12Å; L535-R537 VanDerWaalsContact O-N 3.16Å |
| 536 | P | 37.4 | Very low | 38.1 | Very low | 119 Ų | 119 | 131.5 Ų | 131.5 | 77% | 0.773 | 79% | 0.788 | S | S | * | * | | | trans | -69.6 | 113.9 | -178.8 | 26.7 | -33.3 | 0 | 0 | 0 | 111.2 | L538 | P536-L538 PolarHBondContact O-N 3.01Š|
| 537 | R | 30.5 | Very low | 37.6 | Very low | 245 Ų | 245 | 129.3 Ų | 129.3 | 93% | 0.925 | 80% | 0.795 | S | S | * | * | | | trans | -67.2 | 101 | 177.7 | 176.5 | 175.3 | 169 | 166.1 | -4.4 | 110.9 | L535 G539 | L535-R537 PolarHBondContact O-N 3.12Å; L535-R537 VanDerWaalsContact O-N 3.16Å; R537-G539 PolarHBondContact O-N 3.31Å; R537-G539 VanDerWaalsContact O-N 3.13Å |
| 538 | L | 30.6 | Very low | 36.9 | Very low | 170 Ų | 170 | 132.4 Ų | 132.4 | 89% | 0.89 | 81% | 0.807 | S | S | * | * | | | trans | -59 | 111.9 | 172.9 | -81.3 | 164.5 | 0 | 0 | 0 | 111.2 | P536 | P536-L538 PolarHBondContact O-N 3.01Š|
| 539 | G | 29.6 | Very low | 36.3 | Very low | 70 Ų | 70 | 134.1 Ų | 134.1 | 72% | 0.722 | 82% | 0.817 | S | S | * | * | | | trans | -85.4 | 127.5 | 162.5 | 0 | 0 | 0 | 0 | 0 | 109.7 | R537 | R537-G539 PolarHBondContact O-N 3.31Å; R537-G539 VanDerWaalsContact O-N 3.13Å |
| 540 | A | 28.8 | Very low | 36.5 | Very low | 114 Ų | 114 | 131.9 Ų | 131.9 | 94% | 0.942 | 83% | 0.827 | S | S | * | * | | | trans | -79.2 | 127 | -179 | 0 | 0 | 0 | 0 | 0 | 111.8 | | |
| 541 | A | 31.6 | Very low | 37 | Very low | 100 Ų | 100 | 129.9 Ų | 129.9 | 83% | 0.826 | 82% | 0.819 | S | S | * | * | | | trans | -143.6 | 138.4 | 161.6 | 0 | 0 | 0 | 0 | 0 | 107.9 | | |
| 542 | E | 31.5 | Very low | 37.9 | Very low | 207 Ų | 207 | 129.7 Ų | 129.7 | 97% | 0.967 | 81% | 0.806 | S | S | * | * | | | trans | -83.4 | 137.1 | -174.7 | -62.9 | 177.1 | 102.5 | 0 | 0 | 112 | | |
| 543 | G | 28.7 | Very low | 38.6 | Very low | 78 Ų | 78 | 127.5 Ų | 127.5 | 80% | 0.804 | 80% | 0.799 | S | S | * | * | | | trans | 161.8 | 125.3 | 177 | 0 | 0 | 0 | 0 | 0 | 110.8 | | |
| 544 | A | 33.7 | Very low | 39.3 | Very low | 101 Ų | 101 | 127 Ų | 127 | 84% | 0.835 | 79% | 0.793 | S | S | * | * | | | trans | -100.3 | 136.2 | -166.5 | 0 | 0 | 0 | 0 | 0 | 114.2 | | |
| 545 | A | 39.4 | Very low | 40.3 | Very low | 99 Ų | 99 | 125.1 Ų | 125.1 | 82% | 0.818 | 77% | 0.769 | S | S | * | * | | | trans | 51.8 | 112.9 | 149.4 | 0 | 0 | 0 | 0 | 0 | 120 | | |
| 546 | E | 31.1 | Very low | 41.5 | Very low | 204 Ų | 204 | 124.9 Ų | 124.9 | 95% | 0.953 | 76% | 0.758 | S | S | * | * | | | | -144.9 | 155 | 118.8 | -135.4 | 175.4 | -158.1 | 0 | 0 | 111.3 | | |
| 547 | G | 44.3 | Very low | 42.4 | Very low | 76 Ų | 76 | 122 Ų | 122 | 78% | 0.784 | 74% | 0.744 | S | S | * | * | | | trans | -95.8 | 105.3 | -165.8 | 0 | 0 | 0 | 0 | 0 | 114.3 | | |
| 548 | H | 41.5 | Very low | 43.8 | Very low | 181 Ų | 181 | 117.8 Ų | 117.8 | 84% | 0.838 | 73% | 0.733 | S | S | * | * | | | trans | -140.4 | 124.5 | 165 | -142.5 | 86 | 0 | 0 | 0 | 109.8 | G550 | H548-G550 PolarHBondContact O-N 2.81Š|
| 549 | M | 43.8 | Very low | 45.5 | Very low | 174 Ų | 174 | 113.6 Ų | 113.6 | 86% | 0.857 | 71% | 0.71 | S | S | * | * | | | trans | -74.9 | 90.9 | -174.6 | -71.3 | -171 | -176.4 | 0 | 0 | 111.8 | M551 | M549-M551 VanDerWaalsContact C-N 3.25Å; M549-M551 PolarHBondContact O-N 3.48Å |
| 550 | G | 42 | Very low | 46.8 | Very low | 76 Ų | 76 | 113.9 Ų | 113.9 | 78% | 0.784 | 71% | 0.705 | S | S | * | * | | | trans | -70 | 72.3 | 171.5 | 0 | 0 | 0 | 0 | 0 | 112.9 | H548 S552 | H548-G550 PolarHBondContact O-N 2.81Å; G550-S552 PolarHBondContact O-N 2.91Å |
| 551 | M | 58.7 | Low | 47.9 | Very low | 101 Ų | 101 | 112.8 Ų | 112.8 | 50% | 0.498 | 70% | 0.697 | S | S | . | * | | | trans | -61.3 | 130.5 | 162.4 | -79.9 | -178.2 | 163.6 | 0 | 0 | 109.8 | M549 A555 R556 M559 | M549-M551 VanDerWaalsContact C-N 3.25Å; M549-M551 PolarHBondContact O-N 3.48Å; M551-A555 HydrophobicContact CB-CB 4.27Å; M551-R556 HydrophobicContact CB-CG 4.28Å; M551-M559 HydrophobicContact CE-CE 4.27Å; M551-M559 HydrophobicContact CE-SD 4.19Å; M551-M559 HydrophobicContact SD-CE 3.39Å; M551-M559 WeakPolarHBondContact SD-CE 3.45Å; M551-M559 HydrophobicContact SD-SD 4.08Å |
| 552 | S | 63.2 | Low | 49 | Very low | 67 Ų | 67 | 111.1 Ų | 111.1 | 47% | 0.469 | 68% | 0.682 | S | S | . | * | | | trans | -58.3 | 160.8 | 177.6 | -160.2 | 0 | 0 | 0 | 0 | 112 | G550 E554 A555 R556 | G550-S552 PolarHBondContact O-N 2.91Å; S552-E554 WeakPolarHBondContact CB-OE2 3.29Å; S552-E554 PolarHBondContact O-N 2.79Å; S552-E554 PolarHBondContact OG-OE2 2.93Å; S552-A555 WeakPolarHBondContact O-CB 3.47Å; S552-A555 PolarHBondContact O-N 3.34Å; S552-R556 PolarHBondContact O-N 3.16Å |
| 553 | V | 56.7 | Low | 49.6 | Very low | 115 Ų | 115 | 104.1 Ų | 104.1 | 70% | 0.697 | 67% | 0.666 | S | S | * | * | H | α-helix | trans | -61.2 | -36.4 | 179.3 | -138.7 | 0 | 0 | 0 | 0 | 111 | R556 A557 | V553-R556 PolarHBondContact O-N 3.28Å; V553-A557 WeakPolarHBondContact O-CB 3.48Å; V553-A557 PolarHBondContact O-N 3.38Å |
| 554 | E | 54.7 | Low | 50.3 | Low | 134 Ų | 134 | 105.8 Ų | 105.8 | 63% | 0.626 | 65% | 0.651 | S | S | * | * | H | α-helix | trans | -62.3 | -44.1 | 172 | -63.1 | 74.8 | -163.9 | 0 | 0 | 112.1 | S552 R556 A557 F558 | S552-E554 WeakPolarHBondContact CB-OE2 3.29Å; S552-E554 PolarHBondContact O-N 2.79Å; S552-E554 PolarHBondContact OG-OE2 2.93Å; E554-R556 VanDerWaalsContact C-N 3.31Å; E554-R556 PolarHBondContact O-N 2.94Å; E554-A557 PolarHBondContact O-N 3.13Å; E554-F558 WeakPolarHBondContact O-CB 3.25Å; E554-F558 PolarHBondContact O-N 2.9Å |
| 555 | A | 54.1 | Low | 51.1 | Low | 41 Ų | 41 | 111.3 Ų | 111.3 | 34% | 0.339 | 65% | 0.651 | S | S | . | * | H | α-helix | trans | -65.5 | -36.5 | 179.2 | 0 | 0 | 0 | 0 | 0 | 111.6 | M551 S552 M559 | M551-A555 HydrophobicContact CB-CB 4.27Å; S552-A555 WeakPolarHBondContact O-CB 3.47Å; S552-A555 PolarHBondContact O-N 3.34Å; A555-M559 WeakPolarHBondContact O-CG 3.31Å; A555-M559 PolarHBondContact O-N 2.71Å; A555-M559 VanDerWaalsContact O-N 3.12Å |
| 556 | R | 59.4 | Low | 51.3 | Low | 150 Ų | 150 | 111.9 Ų | 111.9 | 57% | 0.566 | 65% | 0.648 | S | S | * | * | H | α-helix | trans | -67.1 | -41.4 | 171.9 | -69.9 | 177.9 | 169.9 | -164.9 | -4.6 | 112 | M551 S552 V553 E554 A560 | M551-R556 HydrophobicContact CB-CG 4.28Å; S552-R556 PolarHBondContact O-N 3.16Å; V553-R556 PolarHBondContact O-N 3.28Å; E554-R556 VanDerWaalsContact C-N 3.31Å; E554-R556 PolarHBondContact O-N 2.94Å; R556-A560 WeakPolarHBondContact O-CB 3.09Å; R556-A560 PolarHBondContact O-N 3.49Å |
| 557 | A | 57.1 | Low | 52 | Low | 60 Ų | 60 | 110.7 Ų | 110.7 | 50% | 0.496 | 64% | 0.643 | S | S | . | * | H | α-helix | trans | -63.7 | -40.5 | 175.1 | 0 | 0 | 0 | 0 | 0 | 112.1 | V553 E554 A560 A561 | V553-A557 WeakPolarHBondContact O-CB 3.48Å; V553-A557 PolarHBondContact O-N 3.38Å; E554-A557 PolarHBondContact O-N 3.13Å; A557-A560 PolarHBondContact O-N 3.42Å; A557-A561 WeakPolarHBondContact O-CB 3.15Å; A557-A561 PolarHBondContact O-N 3.07Å |
| 558 | F | 60.3 | Low | 52.1 | Low | 156 Ų | 156 | 114.7 Ų | 114.7 | 68% | 0.684 | 64% | 0.641 | S | S | * | * | H | α-helix | trans | -63.7 | -46.1 | 177 | -170.9 | -96.2 | 0 | 0 | 0 | 112.1 | E554 A560 A561 A562 | E554-F558 WeakPolarHBondContact O-CB 3.25Å; E554-F558 PolarHBondContact O-N 2.9Å; F558-A560 VanDerWaalsContact C-N 3.31Å; F558-A560 PolarHBondContact O-N 3.47Å; F558-A561 PolarHBondContact O-N 3.44Å; F558-A562 WeakPolarHBondContact O-CB 3.43Å; F558-A562 PolarHBondContact O-N 2.86Å |
| 559 | M | 65.6 | Low | 52.4 | Low | 81 Ų | 81 | 110.6 Ų | 110.6 | 40% | 0.399 | 64% | 0.638 | S | S | . | * | H | α-helix | trans | -64.9 | -33.1 | 175 | -68.5 | -167.5 | -55 | 0 | 0 | 113.1 | M551 A555 A562 G563 F564 | M551-M559 HydrophobicContact CE-CE 4.27Å; M551-M559 HydrophobicContact CE-SD 4.19Å; M551-M559 HydrophobicContact SD-CE 3.39Å; M551-M559 WeakPolarHBondContact SD-CE 3.45Å; M551-M559 HydrophobicContact SD-SD 4.08Å; A555-M559 WeakPolarHBondContact O-CG 3.31Å; A555-M559 PolarHBondContact O-N 2.71Å; A555-M559 VanDerWaalsContact O-N 3.12Å; M559-A562 PolarHBondContact O-N 3Å; M559-G563 PolarHBondContact O-N 2.96Å; M559-F564 PolarHBondContact O-N 3.45Å; M559-F564 VanDerWaalsContact O-N 3.15Å |
| 560 | A | 56.2 | Low | 52.3 | Low | 76 Ų | 76 | 110.6 Ų | 110.6 | 63% | 0.628 | 64% | 0.636 | S | S | * | * | H | α-helix | trans | -68.9 | -41.2 | 174.5 | 0 | 0 | 0 | 0 | 0 | 112 | R556 A557 F558 A562 G563 | R556-A560 WeakPolarHBondContact O-CB 3.09Å; R556-A560 PolarHBondContact O-N 3.49Å; A557-A560 PolarHBondContact O-N 3.42Å; F558-A560 VanDerWaalsContact C-N 3.31Å; F558-A560 PolarHBondContact O-N 3.47Å; A560-A562 VanDerWaalsContact C-N 3.34Å; A560-G563 PolarHBondContact O-N 3.27Å |
| 561 | A | 53.3 | Low | 53.1 | Low | 92 Ų | 92 | 110.5 Ų | 110.5 | 76% | 0.76 | 64% | 0.635 | S | S | * | * | H | α-helix | trans | -66.3 | -35 | 173.5 | 0 | 0 | 0 | 0 | 0 | 112.3 | A557 F558 G563 | A557-A561 WeakPolarHBondContact O-CB 3.15Å; A557-A561 PolarHBondContact O-N 3.07Å; F558-A561 PolarHBondContact O-N 3.44Å; A561-G563 PolarHBondContact O-N 2.94Å |
| 562 | A | 54.4 | Low | 52.6 | Low | 64 Ų | 64 | 114.2 Ų | 114.2 | 53% | 0.529 | 65% | 0.651 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -75.1 | 9 | 172.6 | 0 | 0 | 0 | 0 | 0 | 114.1 | F558 M559 A560 F564 | F558-A562 WeakPolarHBondContact O-CB 3.43Å; F558-A562 PolarHBondContact O-N 2.86Å; M559-A562 PolarHBondContact O-N 3Å; A560-A562 VanDerWaalsContact C-N 3.34Å; A562-F564 PolarHBondContact O-N 2.9Å |
| 563 | G | 44 | Very low | 52 | Low | 60 Ų | 60 | 117.6 Ų | 117.6 | 62% | 0.619 | 66% | 0.664 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 72.4 | 5.5 | 172.1 | 0 | 0 | 0 | 0 | 0 | 116.1 | M559 A560 A561 R565 | M559-G563 PolarHBondContact O-N 2.96Å; A560-G563 PolarHBondContact O-N 3.27Å; A561-G563 PolarHBondContact O-N 2.94Å; G563-R565 PolarHBondContact O-N 3.21Å |
| 564 | F | 43.8 | Very low | 52 | Low | 114 Ų | 114 | 119.3 Ų | 119.3 | 50% | 0.5 | 67% | 0.669 | S | S | . | * | | | trans | -79.3 | 64.4 | -171.6 | -122.3 | -97.5 | 0 | 0 | 0 | 112.9 | M559 A562 S566 | M559-F564 PolarHBondContact O-N 3.45Å; M559-F564 VanDerWaalsContact O-N 3.15Å; A562-F564 PolarHBondContact O-N 2.9Å; F564-S566 PolarHBondContact O-N 2.84Å |
| 565 | R | 49.7 | Very low | 52.1 | Low | 217 Ų | 217 | 118.9 Ų | 118.9 | 82% | 0.819 | 68% | 0.681 | S | S | * | * | | | trans | -66 | 100.5 | 172.3 | -179.4 | -179.2 | -70.1 | -99.1 | 0.5 | 109.7 | G563 Q567 | G563-R565 PolarHBondContact O-N 3.21Å; R565-Q567 PolarHBondContact O-N 3.42Å |
| 566 | S | 44.6 | Very low | 52.5 | Low | 110 Ų | 110 | 120.3 Ų | 120.3 | 77% | 0.769 | 69% | 0.689 | S | S | * | * | | | trans | -62.2 | 116.2 | 169 | -168 | 0 | 0 | 0 | 0 | 109.7 | F564 | F564-S566 PolarHBondContact O-N 2.84Š|
| 567 | Q | 45 | Very low | 52.6 | Low | 179 Ų | 179 | 116.6 Ų | 116.6 | 84% | 0.836 | 69% | 0.686 | S | S | * | * | | | trans | -95.4 | 106.3 | 169.5 | -67.3 | -165.3 | 95.8 | 0 | 0 | 108.2 | R565 | R565-Q567 PolarHBondContact O-N 3.42Š|
| 568 | H | 46.8 | Very low | 53.1 | Low | 161 Ų | 161 | 116.3 Ų | 116.3 | 75% | 0.745 | 69% | 0.689 | S | S | * | * | | | trans | -94.3 | 110 | 166.7 | -166.1 | -80.3 | 0 | 0 | 0 | 107.6 | E570 | H568-E570 IonicContact CE1-OE1 3.65Š|
| 569 | A | 46.8 | Very low | 53.9 | Low | 95 Ų | 95 | 112.3 Ų | 112.3 | 79% | 0.785 | 68% | 0.684 | S | S | * | * | | | trans | -133.2 | 133.7 | 175 | 0 | 0 | 0 | 0 | 0 | 107.7 | | |
| 570 | E | 43 | Very low | 54.8 | Low | 173 Ų | 173 | 111.2 Ų | 111.2 | 81% | 0.808 | 69% | 0.685 | S | S | * | * | | | trans | -104.6 | 146.1 | -173.7 | -59 | -175.3 | 140.7 | 0 | 0 | 111.2 | H568 | H568-E570 IonicContact CE1-OE1 3.65Š|
| 571 | G | 58.8 | Low | 56.2 | Low | 74 Ų | 74 | 110.9 Ų | 110.9 | 76% | 0.763 | 68% | 0.675 | S | S | * | * | | | trans | 97.5 | 163.4 | 158.1 | 0 | 0 | 0 | 0 | 0 | 118.6 | | |
| 572 | E | 46.5 | Very low | 57.9 | Low | 180 Ų | 180 | 110.2 Ų | 110.2 | 84% | 0.841 | 66% | 0.661 | S | S | * | * | | | trans | 75.3 | 59 | 157.8 | -51.6 | -170.6 | 148.1 | 0 | 0 | 118.2 | | |
| 573 | D | 51.3 | Low | 59.8 | Low | 138 Ų | 138 | 109.4 Ų | 109.4 | 74% | 0.738 | 65% | 0.654 | S | S | * | * | | | | 54 | 111.9 | 127.1 | -51 | -23.6 | 0 | 0 | 0 | 122.2 | S575 | D573-S575 VanDerWaalsContact C-N 3.31Å; D573-S575 PolarHBondContact O-N 2.57Å |
| 574 | D | 55.8 | Low | 62.1 | Low | 150 Ų | 150 | 110.9 Ų | 110.9 | 80% | 0.802 | 65% | 0.647 | S | S | * | * | S | Bend | trans | 55.3 | -17.7 | 146.3 | -72.6 | -22.3 | 0 | 0 | 0 | 122.6 | | |
| 575 | S | 58.8 | Low | 64.6 | Low | 126 Ų | 126 | 109.5 Ų | 109.5 | 88% | 0.881 | 65% | 0.645 | S | S | * | * | S | Bend | trans | -95.3 | 0 | 178.2 | -66.1 | 0 | 0 | 0 | 0 | 114.6 | D573 | D573-S575 VanDerWaalsContact C-N 3.31Å; D573-S575 PolarHBondContact O-N 2.57Å |
| 576 | S | 61.8 | Low | 66.8 | Low | 70 Ų | 70 | 103.1 Ų | 103.1 | 49% | 0.49 | 63% | 0.627 | S | S | . | * | | | trans | -104.4 | 1.1 | -173.4 | 61 | 0 | 0 | 0 | 0 | 115 | G578 A579 S580 | S576-G578 PolarHBondContact O-N 3.09Å; S576-A579 WeakPolarHBondContact O-CA 3.47Å; S576-A579 WeakPolarHBondContact O-CB 3.46Å; S576-A579 PolarHBondContact O-N 2.85Å; S576-S580 PolarHBondContact O-N 2.92Å |
| 577 | S | 61.2 | Low | 69.3 | Low | 72 Ų | 72 | 103.3 Ų | 103.3 | 50% | 0.503 | 61% | 0.614 | S | S | . | * | H | α-helix | trans | -57.2 | -26.1 | -171.9 | -56.7 | 0 | 0 | 0 | 0 | 115.4 | S580 V581 | S577-S580 WeakPolarHBondContact CA-OG 3.46Å; S577-S580 PolarHBondContact O-OG 3.3Å; S577-V581 WeakPolarHBondContact O-CG1 3.31Å; S577-V581 PolarHBondContact O-N 3.5Å |
| 578 | G | 67.3 | Low | 71.8 | Confident | 55 Ų | 55 | 99 Ų | 99 | 57% | 0.567 | 60% | 0.596 | S | S | * | * | H | α-helix | trans | -73.5 | -26 | 173 | 0 | 0 | 0 | 0 | 0 | 114.3 | S576 V581 V582 | S576-G578 PolarHBondContact O-N 3.09Å; G578-V581 WeakPolarHBondContact O-CG1 3.3Å; G578-V582 WeakPolarHBondContact O-CG2 3.45Å |
| 579 | A | 77.9 | Confident | 74.2 | Confident | 71 Ų | 71 | 97.3 Ų | 97.3 | 59% | 0.587 | 59% | 0.588 | S | S | * | * | H | α-helix | trans | -85.3 | -36.3 | 175.7 | 0 | 0 | 0 | 0 | 0 | 111.7 | S576 A583 | S576-A579 WeakPolarHBondContact O-CA 3.47Å; S576-A579 WeakPolarHBondContact O-CB 3.46Å; S576-A579 PolarHBondContact O-N 2.85Å; A579-A583 WeakPolarHBondContact O-CB 3.4Å; A579-A583 PolarHBondContact O-N 3.09Å |
| 580 | S | 83.5 | Confident | 76.6 | Confident | 59 Ų | 59 | 97.3 Ų | 97.3 | 41% | 0.413 | 57% | 0.572 | S | S | . | * | H | α-helix | trans | -69 | -38.7 | 177.7 | 61.3 | 0 | 0 | 0 | 0 | 112.5 | S576 S577 A583 I584 | S576-S580 PolarHBondContact O-N 2.92Å; S577-S580 WeakPolarHBondContact CA-OG 3.46Å; S577-S580 PolarHBondContact O-OG 3.3Å; S580-A583 PolarHBondContact O-N 3.26Å; S580-I584 VanDerWaalsContact O-CG1 3.3Å; S580-I584 WeakPolarHBondContact O-CG1 3.47Å; S580-I584 PolarHBondContact O-N 2.89Å |
| 581 | V | 86.8 | Confident | 79.2 | Confident | 68 Ų | 68 | 91.7 Ų | 91.7 | 41% | 0.412 | 56% | 0.555 | S | S | . | * | H | α-helix | trans | -62.8 | -44.9 | 173.7 | 68.7 | 0 | 0 | 0 | 0 | 111.8 | S577 G578 A583 I584 D585 | S577-V581 WeakPolarHBondContact O-CG1 3.31Å; S577-V581 PolarHBondContact O-N 3.5Å; G578-V581 WeakPolarHBondContact O-CG1 3.3Å; V581-A583 VanDerWaalsContact C-N 3.29Å; V581-A583 PolarHBondContact O-N 3.07Å; V581-I584 CarbonylContact O-C 3.59Å; V581-I584 WeakPolarHBondContact O-CA 3.46Å; V581-I584 WeakPolarHBondContact O-CB 3.47Å; V581-I584 PolarHBondContact O-N 2.61Å; V581-D585 PolarHBondContact O-N 3.31Å |
| 582 | V | 89.1 | Confident | 81.1 | Confident | 78 Ų | 78 | 94.2 Ų | 94.2 | 47% | 0.473 | 55% | 0.548 | S | S | . | . | H | α-helix | trans | -62.2 | -36.7 | 175.1 | 172.5 | 0 | 0 | 0 | 0 | 111.4 | G578 I584 N586 | G578-V582 WeakPolarHBondContact O-CG2 3.45Å; V582-I584 VanDerWaalsContact C-N 3.3Å; V582-I584 PolarHBondContact O-N 3.34Å; V582-N586 WeakPolarHBondContact O-CB 3.21Å; V582-N586 PolarHBondContact O-N 3.03Å; V582-N586 PolarHBondContact O-ND2 3.07Å |
| 583 | A | 93.1 | Very high | 83.5 | Confident | 47 Ų | 47 | 89.4 Ų | 89.4 | 39% | 0.388 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -69.2 | -25 | 173.9 | 0 | 0 | 0 | 0 | 0 | 113.6 | A579 S580 V581 K587 | A579-A583 WeakPolarHBondContact O-CB 3.4Å; A579-A583 PolarHBondContact O-N 3.09Å; S580-A583 PolarHBondContact O-N 3.26Å; V581-A583 VanDerWaalsContact C-N 3.29Å; V581-A583 PolarHBondContact O-N 3.07Å; A583-K587 VanDerWaalsContact O-CD 3.3Å; A583-K587 WeakPolarHBondContact O-CD 3.48Å; A583-K587 VanDerWaalsContact O-CG 3.23Å; A583-K587 WeakPolarHBondContact O-CG 3.5Å |
| 584 | I | 93.4 | Very high | 85.8 | Confident | 92 Ų | 92 | 88.8 Ų | 88.8 | 47% | 0.472 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -77.8 | -47.3 | 172.4 | -70.6 | 161.8 | 0 | 0 | 0 | 110.3 | S580 V581 V582 N586 K587 I588 | S580-I584 VanDerWaalsContact O-CG1 3.3Å; S580-I584 WeakPolarHBondContact O-CG1 3.47Å; S580-I584 PolarHBondContact O-N 2.89Å; V581-I584 CarbonylContact O-C 3.59Å; V581-I584 WeakPolarHBondContact O-CA 3.46Å; V581-I584 WeakPolarHBondContact O-CB 3.47Å; V581-I584 PolarHBondContact O-N 2.61Å; V582-I584 VanDerWaalsContact C-N 3.3Å; V582-I584 PolarHBondContact O-N 3.34Å; I584-N586 VanDerWaalsContact C-N 3.33Å; I584-N586 PolarHBondContact O-N 3.39Å; I584-K587 CarbonylContact O-C 3.58Å; I584-K587 WeakPolarHBondContact O-CA 3.47Å; I584-K587 WeakPolarHBondContact O-CB 3.25Å; I584-K587 PolarHBondContact O-N 3.26Å; I584-I588 HydrophobicContact CG2-CD1 3.84Å; I584-I588 HydrophobicContact CG2-CG1 4.37Å; I584-I588 WeakPolarHBondContact O-CG1 3.27Å; I584-I588 PolarHBondContact O-N 2.93Å |
| 585 | D | 95.6 | Very high | 87.8 | Confident | 85 Ų | 85 | 86.5 Ų | 86.5 | 46% | 0.455 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -58.1 | -45.4 | 178.5 | -66.5 | -25.8 | 0 | 0 | 0 | 111 | V581 K587 I588 E589 | V581-D585 PolarHBondContact O-N 3.31Å; D585-K587 PolarHBondContact O-N 3.4Å; D585-I588 PolarHBondContact O-N 3.5Å; D585-I588 VanDerWaalsContact O-N 3.13Å; D585-E589 PolarHBondContact O-N 2.86Å |
| 586 | N | 96.3 | Very high | 89.7 | Confident | 82 Ų | 82 | 86.7 Ų | 86.7 | 44% | 0.439 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -58.9 | -31.7 | 173.1 | -83.5 | -82.7 | 0 | 0 | 0 | 113.2 | V582 I584 Q590 | V582-N586 WeakPolarHBondContact O-CB 3.21Å; V582-N586 PolarHBondContact O-N 3.03Å; V582-N586 PolarHBondContact O-ND2 3.07Å; I584-N586 VanDerWaalsContact C-N 3.33Å; I584-N586 PolarHBondContact O-N 3.39Å; N586-Q590 WeakPolarHBondContact O-CB 3.39Å; N586-Q590 VanDerWaalsContact O-CG 3.3Å; N586-Q590 WeakPolarHBondContact O-CG 3.4Å; N586-Q590 PolarHBondContact O-N 3.09Å; N586-Q590 VanDerWaalsContact O-N 3.09Å; N586-Q590 PolarHBondContact O-NE2 2.96Å |
| 587 | K | 96.4 | Very high | 91.4 | Very high | 115 Ų | 115 | 85.8 Ų | 85.8 | 50% | 0.5 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -77.8 | -35 | 176.3 | -73.8 | 167.7 | -175.1 | -65.6 | 0 | 112 | A583 I584 D585 A591 | A583-K587 VanDerWaalsContact O-CD 3.3Å; A583-K587 WeakPolarHBondContact O-CD 3.48Å; A583-K587 VanDerWaalsContact O-CG 3.23Å; A583-K587 WeakPolarHBondContact O-CG 3.5Å; I584-K587 CarbonylContact O-C 3.58Å; I584-K587 WeakPolarHBondContact O-CA 3.47Å; I584-K587 WeakPolarHBondContact O-CB 3.25Å; I584-K587 PolarHBondContact O-N 3.26Å; D585-K587 PolarHBondContact O-N 3.4Å; K587-A591 WeakPolarHBondContact O-CB 3.29Å; K587-A591 PolarHBondContact O-N 3.06Å |
| 588 | I | 96.9 | Very high | 93.2 | Very high | 88 Ų | 88 | 88.8 Ų | 88.8 | 45% | 0.451 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -64.5 | -46.1 | 172.9 | -66.7 | 168.1 | 0 | 0 | 0 | 109.4 | I584 D585 A591 M592 | I584-I588 HydrophobicContact CG2-CD1 3.84Å; I584-I588 HydrophobicContact CG2-CG1 4.37Å; I584-I588 WeakPolarHBondContact O-CG1 3.27Å; I584-I588 PolarHBondContact O-N 2.93Å; D585-I588 PolarHBondContact O-N 3.5Å; D585-I588 VanDerWaalsContact O-N 3.13Å; I588-A591 PolarHBondContact O-N 3.47Å; I588-M592 HydrophobicContact CG2-CG 4.47Å; I588-M592 HydrophobicContact CG2-SD 3.96Å; I588-M592 WeakPolarHBondContact O-CB 3.43Å; I588-M592 WeakPolarHBondContact O-CG 3.42Å; I588-M592 PolarHBondContact O-N 3Å |
| 589 | E | 97 | Very high | 94.7 | Very high | 126 Ų | 126 | 91.2 Ų | 91.2 | 59% | 0.589 | 50% | 0.499 | S | S | * | . | H | α-helix | trans | -64.2 | -44.3 | 178.5 | -168.8 | 152.9 | -132.6 | 0 | 0 | 111.8 | D585 A591 M592 D593 | D585-E589 PolarHBondContact O-N 2.86Å; E589-A591 VanDerWaalsContact C-N 3.34Å; E589-A591 PolarHBondContact O-N 3.38Å; E589-M592 PolarHBondContact O-N 3.43Å; E589-D593 PolarHBondContact O-N 3.24Å |
| 590 | Q | 98 | Very high | 95.6 | Very high | 95 Ų | 95 | 93.8 Ų | 93.8 | 44% | 0.444 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -58.5 | -41 | 171.4 | -80 | 167.2 | 85.5 | 0 | 0 | 113.2 | N586 L594 | N586-Q590 WeakPolarHBondContact O-CB 3.39Å; N586-Q590 VanDerWaalsContact O-CG 3.3Å; N586-Q590 WeakPolarHBondContact O-CG 3.4Å; N586-Q590 PolarHBondContact O-N 3.09Å; N586-Q590 VanDerWaalsContact O-N 3.09Å; N586-Q590 PolarHBondContact O-NE2 2.96Å; Q590-L594 VanDerWaalsContact O-CB 3.31Å; Q590-L594 WeakPolarHBondContact O-CB 3.22Å; Q590-L594 PolarHBondContact O-N 3.07Å |
| 591 | A | 98.1 | Very high | 96.3 | Very high | 54 Ų | 54 | 97.9 Ų | 97.9 | 45% | 0.446 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -68.1 | -38.8 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112 | K587 I588 E589 L594 V595 | K587-A591 WeakPolarHBondContact O-CB 3.29Å; K587-A591 PolarHBondContact O-N 3.06Å; I588-A591 PolarHBondContact O-N 3.47Å; E589-A591 VanDerWaalsContact C-N 3.34Å; E589-A591 PolarHBondContact O-N 3.38Å; A591-L594 PolarHBondContact O-N 2.89Å; A591-V595 WeakPolarHBondContact O-CG2 3.27Å; A591-V595 PolarHBondContact O-N 3.2Å |
| 592 | M | 98.2 | Very high | 96.8 | Very high | 127 Ų | 127 | 96.2 Ų | 96.2 | 63% | 0.626 | 50% | 0.502 | S | S | * | . | H | α-helix | trans | -66 | -45.3 | 175.5 | -76.2 | 177.5 | 54.6 | 0 | 0 | 112 | I588 E589 L594 V595 K596 | I588-M592 HydrophobicContact CG2-CG 4.47Å; I588-M592 HydrophobicContact CG2-SD 3.96Å; I588-M592 WeakPolarHBondContact O-CB 3.43Å; I588-M592 WeakPolarHBondContact O-CG 3.42Å; I588-M592 PolarHBondContact O-N 3Å; E589-M592 PolarHBondContact O-N 3.43Å; M592-L594 VanDerWaalsContact C-N 3.35Å; M592-V595 PolarHBondContact O-N 2.92Å; M592-K596 WeakPolarHBondContact O-CB 3.26Å; M592-K596 PolarHBondContact O-N 3.49Å |
| 593 | D | 98.1 | Very high | 97.3 | Very high | 80 Ų | 80 | 96.3 Ų | 96.3 | 43% | 0.428 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -67.9 | -32.9 | 176.5 | -92.3 | -21.1 | 0 | 0 | 0 | 112.2 | E589 K596 S597 | E589-D593 PolarHBondContact O-N 3.24Å; D593-K596 WeakPolarHBondContact OD1-CD 3.49Å; D593-K596 IonicContact OD1-NZ 2.72Å; D593-K596 PolarHBondContact OD1-NZ 3.12Å; D593-S597 WeakPolarHBondContact O-CB 3.47Å; D593-S597 PolarHBondContact O-N 3.3Å |
| 594 | L | 98.3 | Very high | 97.5 | Very high | 125 Ų | 125 | 101.4 Ų | 101.4 | 65% | 0.654 | 51% | 0.512 | S | S | * | . | H | α-helix | trans | -64.8 | -46.1 | 171.6 | -178 | 62.7 | 0 | 0 | 0 | 112 | Q590 A591 M592 S597 H598 | Q590-L594 VanDerWaalsContact O-CB 3.31Å; Q590-L594 WeakPolarHBondContact O-CB 3.22Å; Q590-L594 PolarHBondContact O-N 3.07Å; A591-L594 PolarHBondContact O-N 2.89Å; M592-L594 VanDerWaalsContact C-N 3.35Å; L594-S597 PolarHBondContact O-N 2.83Å; L594-H598 WeakPolarHBondContact O-CB 3.4Å; L594-H598 PolarHBondContact O-N 2.95Å |
| 595 | V | 98.4 | Very high | 97.8 | Very high | 102 Ų | 102 | 103.4 Ų | 103.4 | 62% | 0.618 | 52% | 0.519 | S | S | * | . | H | α-helix | trans | -63.5 | -43.5 | 176.3 | 168.2 | 0 | 0 | 0 | 0 | 111.3 | A591 M592 H598 L599 | A591-V595 WeakPolarHBondContact O-CG2 3.27Å; A591-V595 PolarHBondContact O-N 3.2Å; M592-V595 PolarHBondContact O-N 2.92Å; V595-H598 PolarHBondContact O-N 3.04Å; V595-L599 VanDerWaalsContact O-CB 3.28Å; V595-L599 WeakPolarHBondContact O-CB 3.42Å; V595-L599 PolarHBondContact O-N 3.35Å |
| 596 | K | 98.3 | Very high | 97.9 | Very high | 130 Ų | 130 | 105.3 Ų | 105.3 | 57% | 0.565 | 53% | 0.525 | S | S | * | . | H | α-helix | trans | -62.8 | -43.2 | 176.2 | 174.3 | 178.9 | 157.1 | -153.6 | 0 | 111.8 | M592 D593 M600 | M592-K596 WeakPolarHBondContact O-CB 3.26Å; M592-K596 PolarHBondContact O-N 3.49Å; D593-K596 WeakPolarHBondContact OD1-CD 3.49Å; D593-K596 IonicContact OD1-NZ 2.72Å; D593-K596 PolarHBondContact OD1-NZ 3.12Å; K596-M600 WeakPolarHBondContact O-CB 3.36Å; K596-M600 WeakPolarHBondContact O-CG 3.43Å; K596-M600 PolarHBondContact O-N 3.31Å |
| 597 | S | 98.3 | Very high | 98 | Very high | 50 Ų | 50 | 104.6 Ų | 104.6 | 35% | 0.35 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -60.9 | -53.2 | 174.3 | -177.7 | 0 | 0 | 0 | 0 | 111 | D593 L594 L599 M600 Y601 | D593-S597 WeakPolarHBondContact O-CB 3.47Å; D593-S597 PolarHBondContact O-N 3.3Å; L594-S597 PolarHBondContact O-N 2.83Å; S597-L599 PolarHBondContact O-N 2.89Å; S597-M600 PolarHBondContact O-N 3.04Å; S597-M600 VanDerWaalsContact O-N 3.14Å; S597-Y601 WeakPolarHBondContact O-CD2 3.5Å; S597-Y601 PolarHBondContact O-N 2.91Å; S597-Y601 WeakPolarHBondContact OG-CE2 3.46Å |
| 598 | H | 98.4 | Very high | 98.1 | Very high | 135 Ų | 135 | 105.2 Ų | 105.2 | 63% | 0.625 | 53% | 0.528 | S | S | * | . | H | α-helix | trans | -59.8 | -42.7 | 178.5 | -177 | 55.2 | 0 | 0 | 0 | 112.6 | L594 V595 Y601 A602 | L594-H598 WeakPolarHBondContact O-CB 3.4Å; L594-H598 PolarHBondContact O-N 2.95Å; V595-H598 PolarHBondContact O-N 3.04Å; H598-Y601 PolarHBondContact O-N 2.89Å; H598-A602 WeakPolarHBondContact O-CB 3.3Å; H598-A602 PolarHBondContact O-N 3.48Å |
| 599 | L | 98.4 | Very high | 98.2 | Very high | 106 Ų | 106 | 104.3 Ų | 104.3 | 56% | 0.555 | 53% | 0.527 | S | S | * | . | H | α-helix | trans | -64.2 | -39.8 | 175.4 | -177 | 64.6 | 0 | 0 | 0 | 112.1 | V595 S597 Y601 V603 | V595-L599 VanDerWaalsContact O-CB 3.28Å; V595-L599 WeakPolarHBondContact O-CB 3.42Å; V595-L599 PolarHBondContact O-N 3.35Å; S597-L599 PolarHBondContact O-N 2.89Å; L599-Y601 VanDerWaalsContact C-N 3.3Å; L599-Y601 PolarHBondContact O-N 3.22Å; L599-V603 HydrophobicContact CD1-CG2 3.84Å; L599-V603 HydrophobicContact CG-CG2 4.23Å; L599-V603 VanDerWaalsContact O-CB 3.29Å; L599-V603 WeakPolarHBondContact O-CB 3.29Å; L599-V603 VanDerWaalsContact O-CG2 3.25Å; L599-V603 WeakPolarHBondContact O-CG2 3.37Å; L599-V603 PolarHBondContact O-N 3.2Å |
| 600 | M | 97.5 | Very high | 98.2 | Very high | 125 Ų | 125 | 102.4 Ų | 102.4 | 62% | 0.616 | 52% | 0.52 | S | S | * | . | H | α-helix | trans | -66.3 | -30.1 | 176 | -75.6 | -70.7 | -65.1 | 0 | 0 | 112.9 | K596 S597 R604 | K596-M600 WeakPolarHBondContact O-CB 3.36Å; K596-M600 WeakPolarHBondContact O-CG 3.43Å; K596-M600 PolarHBondContact O-N 3.31Å; S597-M600 PolarHBondContact O-N 3.04Å; S597-M600 VanDerWaalsContact O-N 3.14Å; M600-R604 WeakPolarHBondContact O-CB 3.46Å; M600-R604 PolarHBondContact O-N 3.06Å |
| 601 | Y | 98.2 | Very high | 98.3 | Very high | 145 Ų | 145 | 104.4 Ų | 104.4 | 57% | 0.569 | 53% | 0.527 | S | S | * | . | H | α-helix | trans | -75.3 | -52.5 | 171.5 | -72.6 | -62.8 | 0 | 0 | 0 | 111.6 | S597 H598 L599 V603 R604 E605 | S597-Y601 WeakPolarHBondContact O-CD2 3.5Å; S597-Y601 PolarHBondContact O-N 2.91Å; S597-Y601 WeakPolarHBondContact OG-CE2 3.46Å; H598-Y601 PolarHBondContact O-N 2.89Å; L599-Y601 VanDerWaalsContact C-N 3.3Å; L599-Y601 PolarHBondContact O-N 3.22Å; Y601-V603 PolarHBondContact O-N 3.28Å; Y601-R604 WeakPolarHBondContact O-CA 3.2Å; Y601-R604 WeakPolarHBondContact O-CB 3.36Å; Y601-R604 PolarHBondContact O-N 3.37Å; Y601-E605 PolarHBondContact O-N 3.15Å |
| 602 | A | 97.9 | Very high | 98.3 | Very high | 33 Ų | 33 | 105.9 Ų | 105.9 | 27% | 0.273 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -58.7 | -43.4 | -179.6 | 0 | 0 | 0 | 0 | 0 | 112.5 | H598 R604 E605 E606 | H598-A602 WeakPolarHBondContact O-CB 3.3Å; H598-A602 PolarHBondContact O-N 3.48Å; A602-R604 VanDerWaalsContact C-N 3.28Å; A602-R604 PolarHBondContact O-N 2.92Å; A602-E605 PolarHBondContact O-N 3.41Å; A602-E606 WeakPolarHBondContact O-CB 3.47Å; A602-E606 WeakPolarHBondContact O-CG 3.43Å; A602-E606 PolarHBondContact O-N 3.29Å |
| 603 | V | 98.7 | Very high | 98.3 | Very high | 81 Ų | 81 | 104.4 Ų | 104.4 | 49% | 0.491 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -67.6 | -28.1 | 176.3 | 172.8 | 0 | 0 | 0 | 0 | 112.2 | L599 Y601 V607 | L599-V603 HydrophobicContact CD1-CG2 3.84Å; L599-V603 HydrophobicContact CG-CG2 4.23Å; L599-V603 VanDerWaalsContact O-CB 3.29Å; L599-V603 WeakPolarHBondContact O-CB 3.29Å; L599-V603 VanDerWaalsContact O-CG2 3.25Å; L599-V603 WeakPolarHBondContact O-CG2 3.37Å; L599-V603 PolarHBondContact O-N 3.2Å; Y601-V603 PolarHBondContact O-N 3.28Å; V603-V607 WeakPolarHBondContact O-CB 3.5Å; V603-V607 WeakPolarHBondContact O-CG2 3.2Å; V603-V607 PolarHBondContact O-N 2.89Å |
| 604 | R | 97.9 | Very high | 98.3 | Very high | 154 Ų | 154 | 105.3 Ų | 105.3 | 58% | 0.581 | 52% | 0.52 | S | S | * | . | H | α-helix | trans | -70.5 | -47.7 | 172.4 | -178.5 | -173.1 | -59.3 | -155.9 | -0.9 | 110.9 | M600 Y601 A602 V607 E608 | M600-R604 WeakPolarHBondContact O-CB 3.46Å; M600-R604 PolarHBondContact O-N 3.06Å; Y601-R604 WeakPolarHBondContact O-CA 3.2Å; Y601-R604 WeakPolarHBondContact O-CB 3.36Å; Y601-R604 PolarHBondContact O-N 3.37Å; A602-R604 VanDerWaalsContact C-N 3.28Å; A602-R604 PolarHBondContact O-N 2.92Å; R604-V607 CarbonylContact O-C 3.57Å; R604-V607 PolarHBondContact O-N 2.89Å; R604-E608 WeakPolarHBondContact O-CB 3.27Å; R604-E608 PolarHBondContact O-N 3.41Å |
| 605 | E | 98.2 | Very high | 98.3 | Very high | 133 Ų | 133 | 104.6 Ų | 104.6 | 62% | 0.621 | 51% | 0.512 | S | S | * | . | H | α-helix | trans | -61 | -48.8 | -178.6 | -172.7 | 169.4 | -164.7 | 0 | 0 | 111.3 | Y601 A602 V607 E608 V609 | Y601-E605 PolarHBondContact O-N 3.15Å; A602-E605 PolarHBondContact O-N 3.41Å; E605-V607 VanDerWaalsContact C-N 3.32Å; E605-V607 PolarHBondContact O-N 3.49Å; E605-E608 WeakPolarHBondContact O-CB 3.42Å; E605-E608 PolarHBondContact O-N 2.88Å; E605-V609 WeakPolarHBondContact O-CG2 3.41Å; E605-V609 PolarHBondContact O-N 3.38Å |
| 606 | E | 98 | Very high | 98.3 | Very high | 126 Ų | 126 | 105.3 Ų | 105.3 | 59% | 0.589 | 51% | 0.508 | S | S | * | . | H | α-helix | trans | -59 | -39.6 | 173.7 | -69.8 | -70.7 | 154.5 | 0 | 0 | 112.4 | A602 E608 L610 | A602-E606 WeakPolarHBondContact O-CB 3.47Å; A602-E606 WeakPolarHBondContact O-CG 3.43Å; A602-E606 PolarHBondContact O-N 3.29Å; E606-E608 VanDerWaalsContact C-N 3.31Å; E606-E608 PolarHBondContact O-N 2.99Å; E606-L610 VanDerWaalsContact O-CB 3.31Å; E606-L610 WeakPolarHBondContact O-CB 3.44Å; E606-L610 WeakPolarHBondContact O-CD1 3.39Å; E606-L610 WeakPolarHBondContact O-CG 3.22Å; E606-L610 PolarHBondContact O-N 3.35Å |
| 607 | V | 98.6 | Very high | 98.3 | Very high | 67 Ų | 67 | 104.8 Ų | 104.8 | 41% | 0.406 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -70.1 | -27.5 | 175.6 | 165.5 | 0 | 0 | 0 | 0 | 112.4 | V603 R604 E605 K611 | V603-V607 WeakPolarHBondContact O-CB 3.5Å; V603-V607 WeakPolarHBondContact O-CG2 3.2Å; V603-V607 PolarHBondContact O-N 2.89Å; R604-V607 CarbonylContact O-C 3.57Å; R604-V607 PolarHBondContact O-N 2.89Å; E605-V607 VanDerWaalsContact C-N 3.32Å; E605-V607 PolarHBondContact O-N 3.49Å; V607-K611 WeakPolarHBondContact O-CD 3.47Å; V607-K611 VanDerWaalsContact O-CG 3.22Å; V607-K611 WeakPolarHBondContact O-CG 3.45Å; V607-K611 PolarHBondContact O-N 3.27Å |
| 608 | E | 98.3 | Very high | 98.3 | Very high | 127 Ų | 127 | 108.5 Ų | 108.5 | 59% | 0.593 | 53% | 0.525 | S | S | * | . | H | α-helix | trans | -77.6 | -44 | 176.7 | -166.7 | 149.2 | -153 | 0 | 0 | 111 | R604 E605 E606 L610 K611 E612 | R604-E608 WeakPolarHBondContact O-CB 3.27Å; R604-E608 PolarHBondContact O-N 3.41Å; E605-E608 WeakPolarHBondContact O-CB 3.42Å; E605-E608 PolarHBondContact O-N 2.88Å; E606-E608 VanDerWaalsContact C-N 3.31Å; E606-E608 PolarHBondContact O-N 2.99Å; E608-L610 PolarHBondContact O-N 2.92Å; E608-K611 PolarHBondContact O-N 3.46Å; E608-E612 PolarHBondContact O-N 3.14Å; E608-E612 VanDerWaalsContact O-N 3.09Å |
| 609 | V | 98.5 | Very high | 98.3 | Very high | 69 Ų | 69 | 108.8 Ų | 108.8 | 42% | 0.418 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -58.3 | -46.9 | 170 | 172 | 0 | 0 | 0 | 0 | 111.3 | E605 K611 E612 Q613 | E605-V609 WeakPolarHBondContact O-CG2 3.41Å; E605-V609 PolarHBondContact O-N 3.38Å; V609-K611 VanDerWaalsContact C-N 3.32Å; V609-K611 PolarHBondContact O-N 3.39Å; V609-E612 PolarHBondContact O-N 3Å; V609-Q613 HydrophobicContact CG1-CG 4.42Å; V609-Q613 WeakPolarHBondContact O-CG 3.31Å; V609-Q613 PolarHBondContact O-N 3.41Å |
| 610 | L | 98.6 | Very high | 98.3 | Very high | 87 Ų | 87 | 111 Ų | 111 | 46% | 0.455 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -62.6 | -35.5 | 177.9 | -76.8 | 168 | 0 | 0 | 0 | 112.8 | E606 E608 I614 | E606-L610 VanDerWaalsContact O-CB 3.31Å; E606-L610 WeakPolarHBondContact O-CB 3.44Å; E606-L610 WeakPolarHBondContact O-CD1 3.39Å; E606-L610 WeakPolarHBondContact O-CG 3.22Å; E606-L610 PolarHBondContact O-N 3.35Å; E608-L610 PolarHBondContact O-N 2.92Å; L610-I614 WeakPolarHBondContact O-CB 3.47Å; L610-I614 WeakPolarHBondContact O-CD1 3.42Å; L610-I614 WeakPolarHBondContact O-CG1 3.42Å; L610-I614 PolarHBondContact O-N 3.31Å |
| 611 | K | 98.4 | Very high | 98.3 | Very high | 137 Ų | 137 | 109.2 Ų | 109.2 | 60% | 0.596 | 52% | 0.52 | S | S | * | . | H | α-helix | trans | -66.1 | -44.2 | 174.9 | -77.6 | 165.5 | -176.7 | 174 | 0 | 111.8 | V607 E608 V609 I614 K615 | V607-K611 WeakPolarHBondContact O-CD 3.47Å; V607-K611 VanDerWaalsContact O-CG 3.22Å; V607-K611 WeakPolarHBondContact O-CG 3.45Å; V607-K611 PolarHBondContact O-N 3.27Å; E608-K611 PolarHBondContact O-N 3.46Å; V609-K611 VanDerWaalsContact C-N 3.32Å; V609-K611 PolarHBondContact O-N 3.39Å; K611-I614 PolarHBondContact O-N 2.98Å; K611-K615 WeakPolarHBondContact O-CB 3.48Å; K611-K615 PolarHBondContact O-N 3.18Å |
| 612 | E | 98.4 | Very high | 98.3 | Very high | 85 Ų | 85 | 105.5 Ų | 105.5 | 40% | 0.397 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -68.7 | -40.4 | -179.4 | -168.2 | 60.8 | -166 | 0 | 0 | 110.9 | E608 V609 I614 K615 E616 | E608-E612 PolarHBondContact O-N 3.14Å; E608-E612 VanDerWaalsContact O-N 3.09Å; V609-E612 PolarHBondContact O-N 3Å; E612-I614 VanDerWaalsContact C-N 3.35Å; E612-I614 PolarHBondContact O-N 3.25Å; E612-K615 WeakPolarHBondContact O-CA 3.47Å; E612-K615 WeakPolarHBondContact O-CB 3.35Å; E612-K615 PolarHBondContact O-N 3.2Å; E612-K615 VanDerWaalsContact O-N 3.09Å; E612-K615 IonicContact OE1-NZ 2.57Å; E612-K615 PolarHBondContact OE1-NZ 3.28Å; E612-K615 IonicContact OE2-NZ 2.84Å; E612-K615 PolarHBondContact OE2-NZ 3.36Å; E612-E616 WeakPolarHBondContact O-CG 3.4Å; E612-E616 PolarHBondContact O-N 3.18Å |
| 613 | Q | 98.3 | Very high | 98.3 | Very high | 95 Ų | 95 | 108.4 Ų | 108.4 | 44% | 0.444 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -58.1 | -42.5 | 170.4 | -73.5 | 177 | 1.3 | 0 | 0 | 112.9 | V609 K615 L617 | V609-Q613 HydrophobicContact CG1-CG 4.42Å; V609-Q613 WeakPolarHBondContact O-CG 3.31Å; V609-Q613 PolarHBondContact O-N 3.41Å; Q613-K615 VanDerWaalsContact C-N 3.32Å; Q613-K615 PolarHBondContact O-N 2.9Å; Q613-L617 VanDerWaalsContact O-CB 3.29Å; Q613-L617 WeakPolarHBondContact O-CB 3.1Å; Q613-L617 WeakPolarHBondContact O-CD1 3.29Å; Q613-L617 VanDerWaalsContact O-CG 3.3Å; Q613-L617 WeakPolarHBondContact O-CG 3.46Å; Q613-L617 PolarHBondContact O-N 3.33Å |
| 614 | I | 98.4 | Very high | 98.2 | Very high | 99 Ų | 99 | 108 Ų | 108 | 51% | 0.508 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -62.9 | -40.5 | 174.8 | -73.1 | 163.8 | 0 | 0 | 0 | 110.7 | L610 K611 E612 L617 M618 | L610-I614 WeakPolarHBondContact O-CB 3.47Å; L610-I614 WeakPolarHBondContact O-CD1 3.42Å; L610-I614 WeakPolarHBondContact O-CG1 3.42Å; L610-I614 PolarHBondContact O-N 3.31Å; K611-I614 PolarHBondContact O-N 2.98Å; E612-I614 VanDerWaalsContact C-N 3.35Å; E612-I614 PolarHBondContact O-N 3.25Å; I614-L617 PolarHBondContact O-N 2.91Å; I614-M618 HydrophobicContact CG2-CG 4.44Å; I614-M618 HydrophobicContact CG2-SD 4Å; I614-M618 WeakPolarHBondContact O-CB 3.35Å; I614-M618 VanDerWaalsContact O-CG 3.27Å; I614-M618 WeakPolarHBondContact O-CG 3.33Å; I614-M618 PolarHBondContact O-N 3.18Å |
| 615 | K | 98.6 | Very high | 98.1 | Very high | 111 Ų | 111 | 105.1 Ų | 105.1 | 48% | 0.483 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -65.7 | -47.7 | 178 | 165.8 | 164.4 | 156.7 | -83.5 | 0 | 112.2 | K611 E612 Q613 L617 M618 E619 | K611-K615 WeakPolarHBondContact O-CB 3.48Å; K611-K615 PolarHBondContact O-N 3.18Å; E612-K615 WeakPolarHBondContact O-CA 3.47Å; E612-K615 WeakPolarHBondContact O-CB 3.35Å; E612-K615 PolarHBondContact O-N 3.2Å; E612-K615 VanDerWaalsContact O-N 3.09Å; E612-K615 IonicContact OE1-NZ 2.57Å; E612-K615 PolarHBondContact OE1-NZ 3.28Å; E612-K615 IonicContact OE2-NZ 2.84Å; E612-K615 PolarHBondContact OE2-NZ 3.36Å; Q613-K615 VanDerWaalsContact C-N 3.32Å; Q613-K615 PolarHBondContact O-N 2.9Å; K615-L617 VanDerWaalsContact C-N 3.35Å; K615-L617 PolarHBondContact O-N 3Å; K615-M618 PolarHBondContact O-N 2.9Å; K615-E619 WeakPolarHBondContact O-CB 3.17Å; K615-E619 PolarHBondContact O-N 3.46Å |
| 616 | E | 98.4 | Very high | 98 | Very high | 116 Ų | 116 | 105 Ų | 105 | 54% | 0.542 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -58.6 | -44 | 173 | -70.9 | -179.9 | 174.9 | 0 | 0 | 111.8 | E612 R620 | E612-E616 WeakPolarHBondContact O-CG 3.4Å; E612-E616 PolarHBondContact O-N 3.18Å; E616-R620 WeakPolarHBondContact O-CB 3.34Å; E616-R620 PolarHBondContact O-N 2.87Å |
| 617 | L | 98.6 | Very high | 97.8 | Very high | 120 Ų | 120 | 103 Ų | 103 | 63% | 0.628 | 50% | 0.499 | S | S | * | . | H | α-helix | trans | -64.6 | -39 | 177 | -80.4 | 165.2 | 0 | 0 | 0 | 112.5 | Q613 I614 K615 N621 | Q613-L617 VanDerWaalsContact O-CB 3.29Å; Q613-L617 WeakPolarHBondContact O-CB 3.1Å; Q613-L617 WeakPolarHBondContact O-CD1 3.29Å; Q613-L617 VanDerWaalsContact O-CG 3.3Å; Q613-L617 WeakPolarHBondContact O-CG 3.46Å; Q613-L617 PolarHBondContact O-N 3.33Å; I614-L617 PolarHBondContact O-N 2.91Å; K615-L617 VanDerWaalsContact C-N 3.35Å; K615-L617 PolarHBondContact O-N 3Å; L617-N621 VanDerWaalsContact O-CB 3.27Å; L617-N621 WeakPolarHBondContact O-CB 3.36Å; L617-N621 PolarHBondContact O-N 3.01Å |
| 618 | M | 97.6 | Very high | 97.5 | Very high | 127 Ų | 127 | 103.6 Ų | 103.6 | 63% | 0.626 | 50% | 0.499 | S | S | * | . | H | α-helix | trans | -67 | -48.7 | 175.8 | -78 | 179.2 | 62.6 | 0 | 0 | 111.7 | I614 K615 R620 N621 T622 | I614-M618 HydrophobicContact CG2-CG 4.44Å; I614-M618 HydrophobicContact CG2-SD 4Å; I614-M618 WeakPolarHBondContact O-CB 3.35Å; I614-M618 VanDerWaalsContact O-CG 3.27Å; I614-M618 WeakPolarHBondContact O-CG 3.33Å; I614-M618 PolarHBondContact O-N 3.18Å; K615-M618 PolarHBondContact O-N 2.9Å; M618-R620 PolarHBondContact O-N 3.36Å; M618-N621 PolarHBondContact O-N 3.41Å; M618-T622 PolarHBondContact O-N 2.96Å; M618-T622 PolarHBondContact O-OG1 2.89Å |
| 619 | E | 98.5 | Very high | 97.2 | Very high | 141 Ų | 141 | 102 Ų | 102 | 66% | 0.659 | 50% | 0.495 | S | S | * | . | H | α-helix | trans | -58.3 | -47.5 | 177 | 179.7 | 169.7 | -135.4 | 0 | 0 | 111.2 | K615 N621 T622 Q623 | K615-E619 WeakPolarHBondContact O-CB 3.17Å; K615-E619 PolarHBondContact O-N 3.46Å; E619-N621 VanDerWaalsContact C-N 3.34Å; E619-N621 PolarHBondContact O-N 3.48Å; E619-T622 PolarHBondContact O-N 2.94Å; E619-Q623 PolarHBondContact O-N 2.81Å |
| 620 | R | 98.2 | Very high | 97 | Very high | 154 Ų | 154 | 103.6 Ų | 103.6 | 58% | 0.581 | 50% | 0.5 | S | S | * | . | H | α-helix | trans | -63.4 | -36.8 | 176.6 | -172.9 | 169.9 | -172.1 | 75.2 | 3.1 | 112.7 | E616 M618 Q623 L624 | E616-R620 WeakPolarHBondContact O-CB 3.34Å; E616-R620 PolarHBondContact O-N 2.87Å; M618-R620 PolarHBondContact O-N 3.36Å; R620-Q623 PolarHBondContact O-N 2.8Å; R620-L624 HydrophobicContact CG-CD1 4.2Å; R620-L624 WeakPolarHBondContact O-CB 3.31Å; R620-L624 VanDerWaalsContact O-CG 3.27Å; R620-L624 WeakPolarHBondContact O-CG 3.15Å; R620-L624 PolarHBondContact O-N 3.08Å |
| 621 | N | 97.8 | Very high | 96.7 | Very high | 86 Ų | 86 | 105 Ų | 105 | 46% | 0.46 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -67.1 | -45.6 | 174.8 | -170.4 | 38 | 0 | 0 | 0 | 111 | L617 M618 E619 Q623 L624 E625 | L617-N621 VanDerWaalsContact O-CB 3.27Å; L617-N621 WeakPolarHBondContact O-CB 3.36Å; L617-N621 PolarHBondContact O-N 3.01Å; M618-N621 PolarHBondContact O-N 3.41Å; E619-N621 VanDerWaalsContact C-N 3.34Å; E619-N621 PolarHBondContact O-N 3.48Å; N621-Q623 VanDerWaalsContact C-N 3.31Å; N621-Q623 PolarHBondContact O-N 3.26Å; N621-L624 CarbonylContact O-C 3.59Å; N621-L624 PolarHBondContact O-N 3.34Å; N621-L624 VanDerWaalsContact O-N 3.1Å; N621-E625 WeakPolarHBondContact O-CB 3.33Å; N621-E625 WeakPolarHBondContact O-CG 3.25Å; N621-E625 PolarHBondContact O-N 3.22Å |
| 622 | T | 98.2 | Very high | 96.1 | Very high | 67 Ų | 67 | 103.9 Ų | 103.9 | 41% | 0.411 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -60.5 | -37.4 | 175.2 | -66.3 | 0 | 0 | 0 | 0 | 112.4 | M618 E619 E625 Q626 | M618-T622 PolarHBondContact O-N 2.96Å; M618-T622 PolarHBondContact O-OG1 2.89Å; E619-T622 PolarHBondContact O-N 2.94Å; T622-E625 PolarHBondContact O-N 3.39Å; T622-Q626 VanDerWaalsContact O-CG 3.31Å; T622-Q626 WeakPolarHBondContact O-CG 3.08Å; T622-Q626 PolarHBondContact O-N 2.81Å |
| 623 | Q | 97.4 | Very high | 95.5 | Very high | 94 Ų | 94 | 105.4 Ų | 105.4 | 44% | 0.439 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -61.2 | -50.9 | 170.1 | -178.2 | -175.5 | -8.8 | 0 | 0 | 111.3 | E619 R620 N621 E625 Q626 E627 | E619-Q623 PolarHBondContact O-N 2.81Å; R620-Q623 PolarHBondContact O-N 2.8Å; N621-Q623 VanDerWaalsContact C-N 3.31Å; N621-Q623 PolarHBondContact O-N 3.26Å; Q623-E625 VanDerWaalsContact C-N 3.25Å; Q623-E625 PolarHBondContact O-N 2.85Å; Q623-Q626 WeakPolarHBondContact O-CB 3.38Å; Q623-Q626 PolarHBondContact O-N 3.09Å; Q623-Q626 VanDerWaalsContact O-N 3.12Å; Q623-E627 HydrophobicContact CG-CG 4.49Å; Q623-E627 WeakPolarHBondContact CG-OE1 3.34Å; Q623-E627 PolarHBondContact NE2-OE1 3.37Å; Q623-E627 WeakPolarHBondContact O-CG 3.34Å; Q623-E627 PolarHBondContact O-N 3.27Å |
| 624 | L | 97.2 | Very high | 94.7 | Very high | 73 Ų | 73 | 107.1 Ų | 107.1 | 38% | 0.382 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -64.1 | -28.5 | -179.7 | -72 | 168.9 | 0 | 0 | 0 | 113.1 | R620 N621 N628 | R620-L624 HydrophobicContact CG-CD1 4.2Å; R620-L624 WeakPolarHBondContact O-CB 3.31Å; R620-L624 VanDerWaalsContact O-CG 3.27Å; R620-L624 WeakPolarHBondContact O-CG 3.15Å; R620-L624 PolarHBondContact O-N 3.08Å; N621-L624 CarbonylContact O-C 3.59Å; N621-L624 PolarHBondContact O-N 3.34Å; N621-L624 VanDerWaalsContact O-N 3.1Å; L624-N628 VanDerWaalsContact O-CB 3.25Å; L624-N628 WeakPolarHBondContact O-CB 3.28Å; L624-N628 PolarHBondContact O-N 2.98Å; L624-N628 PolarHBondContact O-ND2 2.77Å; L624-N628 VanDerWaalsContact O-ND2 3.1Å |
| 625 | E | 95 | Very high | 93.9 | Very high | 94 Ų | 94 | 104 Ų | 104 | 44% | 0.439 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -71.1 | -42.5 | 171.3 | -75.3 | 176 | 162.5 | 0 | 0 | 111.8 | N621 T622 Q623 N628 N629 | N621-E625 WeakPolarHBondContact O-CB 3.33Å; N621-E625 WeakPolarHBondContact O-CG 3.25Å; N621-E625 PolarHBondContact O-N 3.22Å; T622-E625 PolarHBondContact O-N 3.39Å; Q623-E625 VanDerWaalsContact C-N 3.25Å; Q623-E625 PolarHBondContact O-N 2.85Å; E625-N628 PolarHBondContact O-N 2.77Å; E625-N629 PolarHBondContact O-N 3.03Å; E625-N629 PolarHBondContact O-ND2 3.21Å |
| 626 | Q | 96.2 | Very high | 92.8 | Very high | 131 Ų | 131 | 101 Ų | 101 | 61% | 0.612 | 51% | 0.512 | S | S | * | . | H | α-helix | trans | -63 | -47 | 173.6 | -71.5 | 173.5 | 29 | 0 | 0 | 111.1 | T622 Q623 N628 N629 L630 | T622-Q626 VanDerWaalsContact O-CG 3.31Å; T622-Q626 WeakPolarHBondContact O-CG 3.08Å; T622-Q626 PolarHBondContact O-N 2.81Å; Q623-Q626 WeakPolarHBondContact O-CB 3.38Å; Q623-Q626 PolarHBondContact O-N 3.09Å; Q623-Q626 VanDerWaalsContact O-N 3.12Å; Q626-N628 VanDerWaalsContact C-N 3.34Å; Q626-N628 PolarHBondContact O-N 2.84Å; Q626-N629 PolarHBondContact O-N 2.72Å; Q626-L630 WeakPolarHBondContact O-CB 3.3Å; Q626-L630 PolarHBondContact O-N 3.37Å |
| 627 | E | 94.4 | Very high | 91.6 | Very high | 84 Ų | 84 | 100.7 Ų | 100.7 | 39% | 0.393 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -59.8 | -42.3 | 174.4 | -71.4 | 175.7 | -169.3 | 0 | 0 | 111.6 | Q623 L630 L631 | Q623-E627 HydrophobicContact CG-CG 4.49Å; Q623-E627 WeakPolarHBondContact CG-OE1 3.34Å; Q623-E627 PolarHBondContact NE2-OE1 3.37Å; Q623-E627 WeakPolarHBondContact O-CG 3.34Å; Q623-E627 PolarHBondContact O-N 3.27Å; E627-L630 PolarHBondContact O-N 3.36Å; E627-L631 VanDerWaalsContact O-CB 3.31Å; E627-L631 WeakPolarHBondContact O-CB 3.43Å; E627-L631 WeakPolarHBondContact O-CD1 3.3Å; E627-L631 VanDerWaalsContact O-CG 3.25Å; E627-L631 WeakPolarHBondContact O-CG 3.4Å; E627-L631 PolarHBondContact O-N 2.84Å |
| 628 | N | 92.2 | Very high | 90.5 | Very high | 79 Ų | 79 | 101.1 Ų | 101.1 | 42% | 0.422 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -62.6 | -41.9 | 174.8 | -106.3 | -94.4 | 0 | 0 | 0 | 113.2 | L624 E625 Q626 L631 K632 | L624-N628 VanDerWaalsContact O-CB 3.25Å; L624-N628 WeakPolarHBondContact O-CB 3.28Å; L624-N628 PolarHBondContact O-N 2.98Å; L624-N628 PolarHBondContact O-ND2 2.77Å; L624-N628 VanDerWaalsContact O-ND2 3.1Å; E625-N628 PolarHBondContact O-N 2.77Å; Q626-N628 VanDerWaalsContact C-N 3.34Å; Q626-N628 PolarHBondContact O-N 2.84Å; N628-L631 PolarHBondContact O-N 3.37Å; N628-K632 WeakPolarHBondContact O-CB 3.36Å; N628-K632 WeakPolarHBondContact O-CD 3.15Å; N628-K632 WeakPolarHBondContact O-CG 3.23Å; N628-K632 PolarHBondContact O-N 2.93Å |
| 629 | N | 93 | Very high | 89.5 | Confident | 92 Ų | 92 | 100.7 Ų | 100.7 | 49% | 0.492 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -69.3 | -41.7 | 179.2 | -77.1 | -64.4 | 0 | 0 | 0 | 110.9 | E625 Q626 L631 K632 T633 | E625-N629 PolarHBondContact O-N 3.03Å; E625-N629 PolarHBondContact O-ND2 3.21Å; Q626-N629 PolarHBondContact O-N 2.72Å; N629-L631 PolarHBondContact O-N 2.94Å; N629-K632 PolarHBondContact O-N 3.38Å; N629-T633 PolarHBondContact O-N 3.13Å; N629-T633 PolarHBondContact O-OG1 3.24Å |
| 630 | L | 94.3 | Very high | 88.4 | Confident | 103 Ų | 103 | 97.3 Ų | 97.3 | 54% | 0.539 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -60.4 | -44.8 | 172.5 | -176 | 61.7 | 0 | 0 | 0 | 111.8 | Q626 E627 K632 T633 L634 | Q626-L630 WeakPolarHBondContact O-CB 3.3Å; Q626-L630 PolarHBondContact O-N 3.37Å; E627-L630 PolarHBondContact O-N 3.36Å; L630-K632 VanDerWaalsContact C-N 3.35Å; L630-K632 PolarHBondContact O-N 2.9Å; L630-T633 PolarHBondContact O-N 3.03Å; L630-L634 HydrophobicContact CD1-CD1 3.78Å; L630-L634 HydrophobicContact CD1-CG 4.04Å; L630-L634 HydrophobicContact CG-CD1 3.88Å; L630-L634 HydrophobicContact CG-CG 4.41Å; L630-L634 WeakPolarHBondContact O-CB 3.37Å; L630-L634 WeakPolarHBondContact O-CG 3.42Å; L630-L634 PolarHBondContact O-N 3.06Å |
| 631 | L | 91.4 | Very high | 87.4 | Confident | 116 Ų | 116 | 92.6 Ų | 92.6 | 61% | 0.607 | 49% | 0.494 | S | S | * | . | H | α-helix | trans | -60.4 | -40.8 | 174.4 | -77.9 | 164.8 | 0 | 0 | 0 | 112.2 | E627 N628 N629 L634 A635 | E627-L631 VanDerWaalsContact O-CB 3.31Å; E627-L631 WeakPolarHBondContact O-CB 3.43Å; E627-L631 WeakPolarHBondContact O-CD1 3.3Å; E627-L631 VanDerWaalsContact O-CG 3.25Å; E627-L631 WeakPolarHBondContact O-CG 3.4Å; E627-L631 PolarHBondContact O-N 2.84Å; N628-L631 PolarHBondContact O-N 3.37Å; N629-L631 PolarHBondContact O-N 2.94Å; L631-L634 PolarHBondContact O-N 3.32Å; L631-A635 WeakPolarHBondContact O-CB 3.46Å; L631-A635 PolarHBondContact O-N 2.87Å |
| 632 | K | 85.9 | Confident | 86.4 | Confident | 114 Ų | 114 | 93.9 Ų | 93.9 | 50% | 0.496 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -66.3 | -34.9 | 174.3 | -72 | 163.9 | -170.2 | 171.5 | 0 | 112.6 | N628 N629 L630 M640 | N628-K632 WeakPolarHBondContact O-CB 3.36Å; N628-K632 WeakPolarHBondContact O-CD 3.15Å; N628-K632 WeakPolarHBondContact O-CG 3.23Å; N628-K632 PolarHBondContact O-N 2.93Å; N629-K632 PolarHBondContact O-N 3.38Å; L630-K632 VanDerWaalsContact C-N 3.35Å; L630-K632 PolarHBondContact O-N 2.9Å; K632-M640 HydrophobicContact CB-CE 4.44Å; K632-M640 WeakPolarHBondContact O-CE 3.46Å |
| 633 | T | 85.2 | Confident | 85.1 | Confident | 117 Ų | 117 | 97 Ų | 97 | 72% | 0.718 | 51% | 0.505 | S | S | * | . | H | α-helix | trans | -74.4 | -32.5 | 177.3 | -56.8 | 0 | 0 | 0 | 0 | 112.6 | N629 L630 | N629-T633 PolarHBondContact O-N 3.13Å; N629-T633 PolarHBondContact O-OG1 3.24Å; L630-T633 PolarHBondContact O-N 3.03Å |
| 634 | L | 83.2 | Confident | 84.1 | Confident | 132 Ų | 132 | 97.5 Ų | 97.5 | 69% | 0.691 | 51% | 0.508 | S | S | * | . | H | α-helix | trans | -93.8 | -20.3 | -178.4 | -64.3 | 179.6 | 0 | 0 | 0 | 114.3 | L630 L631 | L630-L634 HydrophobicContact CD1-CD1 3.78Å; L630-L634 HydrophobicContact CD1-CG 4.04Å; L630-L634 HydrophobicContact CG-CD1 3.88Å; L630-L634 HydrophobicContact CG-CG 4.41Å; L630-L634 WeakPolarHBondContact O-CB 3.37Å; L630-L634 WeakPolarHBondContact O-CG 3.42Å; L630-L634 PolarHBondContact O-N 3.06Å; L631-L634 PolarHBondContact O-N 3.32Å |
| 635 | A | 80.9 | Confident | 83.2 | Confident | 34 Ų | 34 | 96.4 Ų | 96.4 | 28% | 0.281 | 51% | 0.51 | S | S | . | . | S | Bend | trans | -66.2 | 137.5 | 174.9 | 0 | 0 | 0 | 0 | 0 | 111 | L631 M640 | L631-A635 WeakPolarHBondContact O-CB 3.46Å; L631-A635 PolarHBondContact O-N 2.87Å; A635-M640 HydrophobicContact CB-CE 4.49Å |
| 636 | S | 74.3 | Confident | 82 | Confident | 48 Ų | 48 | 98.5 Ų | 98.5 | 34% | 0.336 | 52% | 0.519 | S | S | . | . | | | trans | -58.9 | 137.7 | 172.6 | 172.7 | 0 | 0 | 0 | 0 | 110 | E638 Q639 M640 | S636-E638 PolarHBondContact O-N 3.43Å; S636-E638 PolarHBondContact OG-N 3.11Å; S636-Q639 VanDerWaalsContact N-OE1 3.07Å; S636-Q639 WeakPolarHBondContact O-CB 3.47Å; S636-Q639 PolarHBondContact O-N 3.46Å; S636-M640 PolarHBondContact O-N 2.8Å |
| 637 | P | 73.9 | Confident | 80.7 | Confident | 108 Ų | 108 | 96.6 Ų | 96.6 | 70% | 0.701 | 52% | 0.516 | S | S | * | . | H | α-helix | trans | -52 | -32.2 | 172.9 | -27.7 | 35.4 | 0 | 0 | 0 | 112.8 | M640 A641 | P637-M640 PolarHBondContact O-N 3.34Å; P637-A641 VanDerWaalsContact O-CB 3.29Å; P637-A641 WeakPolarHBondContact O-CB 3.36Å; P637-A641 PolarHBondContact O-N 3.26Å |
| 638 | E | 75.8 | Confident | 79.2 | Confident | 130 Ų | 130 | 99.5 Ų | 99.5 | 61% | 0.607 | 53% | 0.53 | S | S | * | . | H | α-helix | trans | -69.9 | -40.2 | 176.5 | -159.8 | -174.8 | 159 | 0 | 0 | 112.4 | S636 A641 Q642 | S636-E638 PolarHBondContact O-N 3.43Å; S636-E638 PolarHBondContact OG-N 3.11Å; E638-A641 PolarHBondContact O-N 3.21Å; E638-Q642 WeakPolarHBondContact O-CB 3.23Å; E638-Q642 WeakPolarHBondContact O-CG 3.3Å; E638-Q642 PolarHBondContact O-N 3.25Å; E638-Q642 PolarHBondContact OE1-NE2 2.95Å |
| 639 | Q | 77.1 | Confident | 77.7 | Confident | 118 Ų | 118 | 100.8 Ų | 100.8 | 55% | 0.551 | 54% | 0.541 | S | S | * | . | H | α-helix | trans | -66.9 | -39.1 | 173.9 | -69.6 | 170.5 | -42.9 | 0 | 0 | 111.3 | S636 Q642 F643 | S636-Q639 VanDerWaalsContact N-OE1 3.07Å; S636-Q639 WeakPolarHBondContact O-CB 3.47Å; S636-Q639 PolarHBondContact O-N 3.46Å; Q639-Q642 PolarHBondContact O-N 2.99Å; Q639-F643 WeakPolarHBondContact O-CB 3.41Å; Q639-F643 PolarHBondContact O-N 3.33Å |
| 640 | M | 73.8 | Confident | 75.6 | Confident | 69 Ų | 69 | 99.4 Ų | 99.4 | 34% | 0.34 | 55% | 0.548 | S | S | . | . | H | α-helix | trans | -68.3 | -37.2 | 177.5 | -153.2 | -170.1 | -53.5 | 0 | 0 | 111.6 | K632 A635 S636 P637 Q644 | K632-M640 HydrophobicContact CB-CE 4.44Å; K632-M640 WeakPolarHBondContact O-CE 3.46Å; A635-M640 HydrophobicContact CB-CE 4.49Å; S636-M640 PolarHBondContact O-N 2.8Å; P637-M640 PolarHBondContact O-N 3.34Å; M640-Q644 WeakPolarHBondContact O-CB 3.44Å; M640-Q644 WeakPolarHBondContact O-CG 3.45Å; M640-Q644 PolarHBondContact O-N 2.78Å |
| 641 | A | 77.9 | Confident | 73.6 | Confident | 56 Ų | 56 | 97.8 Ų | 97.8 | 46% | 0.463 | 56% | 0.557 | S | S | . | * | H | α-helix | trans | -67.8 | -42.4 | 172 | 0 | 0 | 0 | 0 | 0 | 112.2 | P637 E638 Q644 A645 | P637-A641 VanDerWaalsContact O-CB 3.29Å; P637-A641 WeakPolarHBondContact O-CB 3.36Å; P637-A641 PolarHBondContact O-N 3.26Å; E638-A641 PolarHBondContact O-N 3.21Å; A641-Q644 PolarHBondContact O-N 3.23Å; A641-A645 WeakPolarHBondContact O-CB 3.45Å; A641-A645 PolarHBondContact O-N 3.28Å |
| 642 | Q | 76.3 | Confident | 71 | Confident | 113 Ų | 113 | 97.1 Ų | 97.1 | 53% | 0.528 | 56% | 0.561 | S | S | . | * | H | α-helix | trans | -61.3 | -42.8 | 174 | -74.7 | 172.5 | 23.5 | 0 | 0 | 111.5 | E638 Q639 A645 Q646 | E638-Q642 WeakPolarHBondContact O-CB 3.23Å; E638-Q642 WeakPolarHBondContact O-CG 3.3Å; E638-Q642 PolarHBondContact O-N 3.25Å; E638-Q642 PolarHBondContact OE1-NE2 2.95Å; Q639-Q642 PolarHBondContact O-N 2.99Å; Q642-A645 PolarHBondContact O-N 3.47Å; Q642-Q646 VanDerWaalsContact O-CB 3.3Å; Q642-Q646 WeakPolarHBondContact O-CB 3.5Å; Q642-Q646 PolarHBondContact O-N 2.98Å |
| 643 | F | 72.4 | Confident | 69.4 | Low | 131 Ų | 131 | 98 Ų | 98 | 58% | 0.575 | 58% | 0.579 | S | S | * | * | H | α-helix | trans | -65.1 | -43.2 | 174.9 | -176.2 | -101.2 | 0 | 0 | 0 | 112.2 | Q639 A645 Q646 V647 | Q639-F643 WeakPolarHBondContact O-CB 3.41Å; Q639-F643 PolarHBondContact O-N 3.33Å; F643-A645 PolarHBondContact O-N 2.78Å; F643-Q646 PolarHBondContact O-N 3.19Å; F643-Q646 VanDerWaalsContact O-N 3.1Å; F643-V647 HydrophobicContact CD1-CG1 4.42Å; F643-V647 HydrophobicContact CE1-CG1 3.87Å; F643-V647 HydrophobicContact CE2-CG1 4.2Å; F643-V647 HydrophobicContact CZ-CG1 3.74Å; F643-V647 PolarHBondContact O-N 2.85Å |
| 644 | Q | 75.8 | Confident | 67.1 | Low | 106 Ų | 106 | 98.8 Ų | 98.8 | 50% | 0.495 | 58% | 0.583 | S | S | . | * | H | α-helix | trans | -59.9 | -43.6 | 173.8 | -81.6 | -168.4 | 62.6 | 0 | 0 | 112.3 | M640 A641 Q646 V647 Q648 | M640-Q644 WeakPolarHBondContact O-CB 3.44Å; M640-Q644 WeakPolarHBondContact O-CG 3.45Å; M640-Q644 PolarHBondContact O-N 2.78Å; A641-Q644 PolarHBondContact O-N 3.23Å; Q644-Q646 VanDerWaalsContact C-N 3.28Å; Q644-Q646 PolarHBondContact O-N 3.1Å; Q644-V647 VanDerWaalsContact O-CG2 3.29Å; Q644-V647 WeakPolarHBondContact O-CG2 3.43Å; Q644-Q648 WeakPolarHBondContact O-CB 3.46Å; Q644-Q648 VanDerWaalsContact O-CG 3.26Å; Q644-Q648 WeakPolarHBondContact O-CG 3.4Å; Q644-Q648 PolarHBondContact O-N 2.83Å; Q644-Q648 VanDerWaalsContact O-N 3.07Å; Q644-Q648 PolarHBondContact O-NE2 3.12Å |
| 645 | A | 77.2 | Confident | 65.1 | Low | 50 Ų | 50 | 96.2 Ų | 96.2 | 41% | 0.413 | 59% | 0.589 | S | S | . | * | H | α-helix | trans | -64.1 | -33.8 | 173.9 | 0 | 0 | 0 | 0 | 0 | 112.1 | A641 Q642 F643 Q648 T649 | A641-A645 WeakPolarHBondContact O-CB 3.45Å; A641-A645 PolarHBondContact O-N 3.28Å; Q642-A645 PolarHBondContact O-N 3.47Å; F643-A645 PolarHBondContact O-N 2.78Å; A645-Q648 PolarHBondContact O-N 3.04Å; A645-T649 WeakPolarHBondContact O-CB 3.42Å; A645-T649 WeakPolarHBondContact O-CG2 3.36Å; A645-T649 PolarHBondContact O-N 3.4Å; A645-T649 PolarHBondContact O-OG1 3.03Å |
| 646 | Q | 70.6 | Confident | 63 | Low | 138 Ų | 138 | 99.5 Ų | 99.5 | 65% | 0.645 | 62% | 0.616 | S | S | * | * | H | α-helix | trans | -72.8 | -39.9 | 179.3 | -164.9 | 162.4 | 88.5 | 0 | 0 | 112.6 | Q642 F643 Q644 Q648 T649 G650 | Q642-Q646 VanDerWaalsContact O-CB 3.3Å; Q642-Q646 WeakPolarHBondContact O-CB 3.5Å; Q642-Q646 PolarHBondContact O-N 2.98Å; F643-Q646 PolarHBondContact O-N 3.19Å; F643-Q646 VanDerWaalsContact O-N 3.1Å; Q644-Q646 VanDerWaalsContact C-N 3.28Å; Q644-Q646 PolarHBondContact O-N 3.1Å; Q646-Q648 VanDerWaalsContact C-N 3.31Å; Q646-Q648 PolarHBondContact O-N 2.64Å; Q646-T649 WeakPolarHBondContact CA-OG1 3.12Å; Q646-T649 PolarHBondContact O-N 3.34Å; Q646-T649 PolarHBondContact O-OG1 3.27Å; Q646-G650 PolarHBondContact O-N 2.84Å |
| 647 | V | 69.1 | Low | 61.5 | Low | 90 Ų | 90 | 101.9 Ų | 101.9 | 55% | 0.545 | 64% | 0.639 | S | S | . | * | H | α-helix | trans | -70.4 | -27.5 | 171.6 | -60.2 | 0 | 0 | 0 | 0 | 112.6 | F643 Q644 | F643-V647 HydrophobicContact CD1-CG1 4.42Å; F643-V647 HydrophobicContact CE1-CG1 3.87Å; F643-V647 HydrophobicContact CE2-CG1 4.2Å; F643-V647 HydrophobicContact CZ-CG1 3.74Å; F643-V647 PolarHBondContact O-N 2.85Å; Q644-V647 VanDerWaalsContact O-CG2 3.29Å; Q644-V647 WeakPolarHBondContact O-CG2 3.43Å |
| 648 | Q | 63.5 | Low | 59.8 | Low | 145 Ų | 145 | 105.9 Ų | 105.9 | 68% | 0.678 | 65% | 0.648 | S | S | * | * | H | α-helix | trans | -75.7 | -22.7 | 172.3 | -73.3 | 167.6 | 64.6 | 0 | 0 | 113.4 | Q644 A645 Q646 | Q644-Q648 WeakPolarHBondContact O-CB 3.46Å; Q644-Q648 VanDerWaalsContact O-CG 3.26Å; Q644-Q648 WeakPolarHBondContact O-CG 3.4Å; Q644-Q648 PolarHBondContact O-N 2.83Å; Q644-Q648 VanDerWaalsContact O-N 3.07Å; Q644-Q648 PolarHBondContact O-NE2 3.12Å; A645-Q648 PolarHBondContact O-N 3.04Å; Q646-Q648 VanDerWaalsContact C-N 3.31Å; Q646-Q648 PolarHBondContact O-N 2.64Å |
| 649 | T | 59.3 | Low | 57.8 | Low | 107 Ų | 107 | 104.2 Ų | 104.2 | 66% | 0.656 | 66% | 0.657 | S | S | * | * | H | α-helix | trans | -101.6 | -12.7 | 178.1 | 49.1 | 0 | 0 | 0 | 0 | 114.4 | A645 Q646 G651 | A645-T649 WeakPolarHBondContact O-CB 3.42Å; A645-T649 WeakPolarHBondContact O-CG2 3.36Å; A645-T649 PolarHBondContact O-N 3.4Å; A645-T649 PolarHBondContact O-OG1 3.03Å; Q646-T649 WeakPolarHBondContact CA-OG1 3.12Å; Q646-T649 PolarHBondContact O-N 3.34Å; Q646-T649 PolarHBondContact O-OG1 3.27Å; T649-G651 PolarHBondContact O-N 3.12Å; T649-G651 VanDerWaalsContact O-N 3.09Å |
| 650 | G | 49.4 | Very low | 55.9 | Low | 63 Ų | 63 | 106.2 Ų | 106.2 | 65% | 0.649 | 67% | 0.671 | S | S | * | * | | | trans | -64.9 | -8.4 | 177.3 | 0 | 0 | 0 | 0 | 0 | 115.6 | Q646 S652 | Q646-G650 PolarHBondContact O-N 2.84Å; G650-S652 VanDerWaalsContact C-N 3.26Å; G650-S652 PolarHBondContact O-N 3.02Å |
| 651 | G | 51.9 | Low | 54.6 | Low | 69 Ų | 69 | 108.6 Ų | 108.6 | 71% | 0.711 | 69% | 0.691 | S | S | * | * | S | Bend | trans | -76 | 24.9 | -175.4 | 0 | 0 | 0 | 0 | 0 | 117.1 | T649 | T649-G651 PolarHBondContact O-N 3.12Å; T649-G651 VanDerWaalsContact O-N 3.09Å |
| 652 | S | 37.3 | Very low | 53.1 | Low | 101 Ų | 101 | 112.1 Ų | 112.1 | 71% | 0.706 | 71% | 0.709 | S | S | * | * | | | trans | -161.9 | 112.6 | 175 | -84.8 | 0 | 0 | 0 | 0 | 114.7 | G650 T654 | G650-S652 VanDerWaalsContact C-N 3.26Å; G650-S652 PolarHBondContact O-N 3.02Å; S652-T654 PolarHBondContact O-N 3.37Å |
| 653 | P | 51.5 | Low | 51.3 | Low | 133 Ų | 133 | 112.2 Ų | 112.2 | 86% | 0.864 | 72% | 0.722 | S | S | * | * | | | trans | -100.1 | 51.9 | 178.2 | 39 | -35.4 | 0 | 0 | 0 | 113.6 | | |
| 654 | T | 38.1 | Very low | 49.6 | Very low | 133 Ų | 133 | 109.5 Ų | 109.5 | 82% | 0.816 | 73% | 0.732 | S | S | * | * | | | trans | -144.1 | 125.7 | 168.5 | -29.9 | 0 | 0 | 0 | 0 | 111.9 | S652 | S652-T654 PolarHBondContact O-N 3.37Š|
| 655 | G | 41.1 | Very low | 48.2 | Very low | 78 Ų | 78 | 110.4 Ų | 110.4 | 80% | 0.804 | 75% | 0.747 | S | S | * | * | | | trans | -92 | 145.4 | 174 | 0 | 0 | 0 | 0 | 0 | 112.8 | | |
| 656 | A | 35.9 | Very low | 46.2 | Very low | 103 Ų | 103 | 114.4 Ų | 114.4 | 85% | 0.851 | 77% | 0.766 | S | S | * | * | | | trans | -131.1 | 138.5 | 160.8 | 0 | 0 | 0 | 0 | 0 | 108.2 | | |
| 657 | A | 43 | Very low | 44.6 | Very low | 99 Ų | 99 | 116.3 Ų | 116.3 | 82% | 0.818 | 78% | 0.775 | S | S | * | * | | | trans | -79.8 | 137.8 | -169.2 | 0 | 0 | 0 | 0 | 0 | 113.1 | | |
| 658 | Q | 38.3 | Very low | 43 | Very low | 191 Ų | 191 | 118 Ų | 118 | 89% | 0.893 | 79% | 0.785 | S | S | * | * | | | trans | -123.3 | 110.7 | 143.4 | -75.4 | -165.6 | -12.7 | 0 | 0 | 108.6 | | |
| 659 | A | 33.9 | Very low | 41.6 | Very low | 96 Ų | 96 | 118.3 Ų | 118.3 | 79% | 0.793 | 79% | 0.791 | S | S | * | * | P | Polyproline II helix | trans | -85.6 | 130.7 | 173.1 | 0 | 0 | 0 | 0 | 0 | 109.5 | | |
| 660 | L | 36.6 | Very low | 40.2 | Very low | 160 Ų | 160 | 118.4 Ų | 118.4 | 84% | 0.838 | 80% | 0.795 | S | S | * | * | P | Polyproline II helix | trans | -82.2 | 135.2 | 160.7 | -76.5 | 81.5 | 0 | 0 | 0 | 108.5 | | |
| 661 | P | 48.1 | Very low | 39.4 | Very low | 119 Ų | 119 | 121.1 Ų | 121.1 | 77% | 0.773 | 81% | 0.805 | S | S | * | * | P | Polyproline II helix | trans | -75.9 | 134.5 | -178.7 | 29.9 | -34.1 | 0 | 0 | 0 | 111.7 | | |
| 662 | P | 46.8 | Very low | 38.7 | Very low | 129 Ų | 129 | 122.7 Ų | 122.7 | 84% | 0.838 | 81% | 0.811 | S | S | * | * | P | Polyproline II helix | trans | -91.5 | 123.3 | 174.3 | 33.6 | -31.2 | 0 | 0 | 0 | 111.8 | | |
| 663 | S | 36.7 | Very low | 38.7 | Very low | 115 Ų | 115 | 127.3 Ų | 127.3 | 80% | 0.804 | 82% | 0.822 | S | S | * | * | | | trans | -152.8 | 108.7 | 165.9 | 58.1 | 0 | 0 | 0 | 0 | 111.3 | | |
| 664 | G | 38.1 | Very low | 38.1 | Very low | 75 Ų | 75 | 128.1 Ų | 128.1 | 77% | 0.773 | 82% | 0.818 | S | S | * | * | | | trans | -84.4 | -155.1 | 164.1 | 0 | 0 | 0 | 0 | 0 | 111.8 | | |
| 665 | P | 45.8 | Very low | 38.1 | Very low | 125 Ų | 125 | 127.2 Ų | 127.2 | 81% | 0.812 | 82% | 0.817 | S | S | * | * | | | cis | -122.3 | 168.7 | 10.9 | 41.1 | -28.9 | 0 | 0 | 0 | 114.9 | | |
| 666 | T | 35.5 | Very low | 37.9 | Very low | 133 Ų | 133 | 126.8 Ų | 126.8 | 82% | 0.816 | 81% | 0.813 | S | S | * | * | | | trans | -63.6 | 129.5 | 161.8 | -47.9 | 0 | 0 | 0 | 0 | 110.3 | V668 | T666-V668 HydrophobicContact CG2-CG1 4.44Š|
| 667 | Q | 36.4 | Very low | 38.5 | Very low | 179 Ų | 179 | 128.7 Ų | 128.7 | 84% | 0.836 | 82% | 0.815 | S | S | * | * | | | trans | -115.5 | 136.3 | 162.5 | -163.5 | -173.7 | 110.5 | 0 | 0 | 109 | | |
| 668 | V | 36.7 | Very low | 38.4 | Very low | 125 Ų | 125 | 130.2 Ų | 130.2 | 76% | 0.758 | 82% | 0.819 | S | S | * | * | | | trans | -110.9 | 122 | 179 | -76.5 | 0 | 0 | 0 | 0 | 110.1 | T666 | T666-V668 HydrophobicContact CG2-CG1 4.44Š|
| 669 | L | 32.4 | Very low | 38.4 | Very low | 152 Ų | 152 | 128.5 Ų | 128.5 | 80% | 0.796 | 85% | 0.853 | S | S | * | * | | | trans | -157.8 | 130.3 | 156.6 | -154.4 | 54.4 | 0 | 0 | 0 | 114.3 | | |
| 670 | S | 30.6 | Very low | 38.6 | Very low | 108 Ų | 108 | 130.2 Ų | 130.2 | 76% | 0.755 | 86% | 0.856 | S | S | * | * | | | trans | 45.1 | 126.1 | 153 | -59.6 | 0 | 0 | 0 | 0 | 122.5 | | |
| 671 | S | 32.8 | Very low | 38.7 | Very low | 121 Ų | 121 | 128.6 Ų | 128.6 | 85% | 0.846 | 86% | 0.857 | S | S | * | * | | | trans | -70 | 155 | 157.5 | 43.6 | 0 | 0 | 0 | 0 | 113.1 | | |
| 672 | A | 37.6 | Very low | 38.2 | Very low | 102 Ų | 102 | 129.1 Ų | 129.1 | 84% | 0.843 | 86% | 0.861 | S | S | * | * | | | trans | -141.3 | 162.7 | 164.4 | 0 | 0 | 0 | 0 | 0 | 109.4 | | |
| 673 | Q | 37.2 | Very low | 37.7 | Very low | 198 Ų | 198 | 129.1 Ų | 129.1 | 93% | 0.925 | 86% | 0.863 | S | S | * | * | | | trans | -97.1 | 153.6 | -156.4 | -67.9 | 169 | -67.1 | 0 | 0 | 116.4 | | |
| 674 | N | 37.9 | Very low | 37.8 | Very low | 149 Ų | 149 | 130 Ų | 130 | 80% | 0.797 | 87% | 0.866 | S | S | * | * | | | trans | -30.9 | 125.7 | 154.9 | 166.1 | 50.5 | 0 | 0 | 0 | 116.1 | | |
| 675 | S | 39.8 | Very low | 37.7 | Very low | 114 Ų | 114 | 133.7 Ų | 133.7 | 80% | 0.797 | 87% | 0.873 | S | S | * | * | | | trans | -178.8 | 151.2 | 132.8 | -89.1 | 0 | 0 | 0 | 0 | 107.6 | | |
| 676 | G | 35.9 | Very low | 37.2 | Very low | 69 Ų | 69 | 134.3 Ų | 134.3 | 71% | 0.711 | 88% | 0.877 | S | S | * | * | | | cis | 138.9 | 107.6 | 8 | 0 | 0 | 0 | 0 | 0 | 108.2 | | |
| 677 | T | 49.3 | Very low | 37.3 | Very low | 144 Ų | 144 | 134.4 Ų | 134.4 | 88% | 0.883 | 88% | 0.882 | S | S | * | * | | | trans | -80.2 | 120.6 | -171.2 | 50.6 | 0 | 0 | 0 | 0 | 112.8 | | |
| 678 | S | 40.8 | Very low | 37.4 | Very low | 131 Ų | 131 | 130.7 Ų | 130.7 | 92% | 0.916 | 89% | 0.885 | S | S | * | * | | | trans | -165 | 132.5 | 162.3 | -76.6 | 0 | 0 | 0 | 0 | 109.7 | | |
| 679 | G | 37.7 | Very low | 37.4 | Very low | 155 Ų | 155 | 131.2 Ų | 131.2 | 100% | 1.598 | 90% | 0.897 | S | S | * | * | | | trans | 127 | 0 | -175.6 | 0 | 0 | 0 | 0 | 0 | 111.5 | | |