| 1 | M | 33.3 | Very low | 30.1 | Very low | 232 Ų | 232 | 134.7 Ų | 134.7 | 100% | 1.143 | 77% | 0.77 | S | S | * | * | | | | 0 | 114.6 | 0 | -64.1 | 168.8 | -176 | 0 | 0 | 105.6 | | |
| 2 | S | 31.1 | Very low | 30 | Very low | 102 Ų | 102 | 139.4 Ų | 139.4 | 71% | 0.713 | 78% | 0.78 | S | S | * | * | | | | 80.3 | 131.9 | 52.1 | -62.3 | 0 | 0 | 0 | 0 | 111.5 | | |
| 3 | D | 29.9 | Very low | 30 | Very low | 131 Ų | 131 | 135.1 Ų | 135.1 | 70% | 0.701 | 79% | 0.786 | S | S | * | * | | | cis | -155.8 | 176.3 | -5.5 | -130.5 | -77.1 | 0 | 0 | 0 | 114.6 | | |
| 4 | S | 32.4 | Very low | 29.9 | Very low | 85 Ų | 85 | 130.4 Ų | 130.4 | 59% | 0.594 | 78% | 0.781 | S | S | * | * | | | trans | -35.9 | 154.1 | 160.8 | -43.7 | 0 | 0 | 0 | 0 | 116 | | |
| 5 | K | 32.1 | Very low | 30.4 | Very low | 198 Ų | 198 | 135.5 Ų | 135.5 | 86% | 0.861 | 79% | 0.789 | S | S | * | * | | | trans | 71.4 | 161.4 | 152.9 | -70.5 | 171.4 | 178.8 | 171.7 | 0 | 117.3 | | |
| 6 | K | 30 | Very low | 31.3 | Very low | 149 Ų | 149 | 133.6 Ų | 133.6 | 65% | 0.648 | 78% | 0.782 | S | S | * | * | | | cis | 179.2 | 153.3 | -26.2 | -171.6 | -155.2 | 159.4 | -148.3 | 0 | 105.8 | | |
| 7 | E | 24.7 | Very low | 31.3 | Very low | 150 Ų | 150 | 131.9 Ų | 131.9 | 70% | 0.701 | 78% | 0.779 | S | S | * | * | | | trans | 73.2 | 153.5 | 166 | -45.5 | -164.4 | 105.3 | 0 | 0 | 116.2 | | |
| 8 | S | 29.3 | Very low | 31.3 | Very low | 104 Ų | 104 | 134.3 Ų | 134.3 | 73% | 0.727 | 78% | 0.779 | S | S | * | * | | | cis | -166.1 | 159.9 | -27.4 | 54.3 | 0 | 0 | 0 | 0 | 110.5 | | |
| 9 | S | 30.8 | Very low | 31.1 | Very low | 125 Ų | 125 | 139.5 Ų | 139.5 | 87% | 0.874 | 78% | 0.784 | S | S | * | * | | | trans | 139.4 | 150.9 | 163 | 56.3 | 0 | 0 | 0 | 0 | 110.6 | | |
| 10 | G | 27.6 | Very low | 30.9 | Very low | 58 Ų | 58 | 136.3 Ų | 136.3 | 60% | 0.598 | 78% | 0.783 | S | S | * | * | | | cis | 160.4 | 118.6 | -15.2 | 0 | 0 | 0 | 0 | 0 | 113.7 | | |
| 11 | T | 29.5 | Very low | 30.6 | Very low | 148 Ų | 148 | 139.2 Ų | 139.2 | 91% | 0.908 | 79% | 0.787 | S | S | * | * | | | trans | 61.5 | 155.7 | 167 | 49 | 0 | 0 | 0 | 0 | 117.1 | | |
| 12 | E | 29.4 | Very low | 30.2 | Very low | 191 Ų | 191 | 133.1 Ų | 133.1 | 89% | 0.893 | 77% | 0.767 | S | S | * | * | | | cis | -115.9 | 161.2 | -5 | -62.1 | -176.1 | 91.5 | 0 | 0 | 109.1 | | |
| 13 | G | 29.6 | Very low | 30 | Very low | 83 Ų | 83 | 134 Ų | 134 | 86% | 0.856 | 77% | 0.773 | S | S | * | * | | | | 103.4 | 125 | 64.7 | 0 | 0 | 0 | 0 | 0 | 110.9 | | |
| 14 | G | 28.9 | Very low | 29.7 | Very low | 70 Ų | 70 | 131.6 Ų | 131.6 | 72% | 0.722 | 78% | 0.779 | S | S | * | * | | | cis | 172.3 | 159.9 | -14.2 | 0 | 0 | 0 | 0 | 0 | 114.6 | | |
| 15 | K | 36.9 | Very low | 29.3 | Very low | 206 Ų | 206 | 133 Ų | 133 | 90% | 0.896 | 79% | 0.789 | S | S | * | * | | | trans | 71.5 | 157.9 | 160.3 | -75.2 | 179.2 | -177.7 | 170.3 | 0 | 119.2 | | |
| 16 | P | 44.7 | Very low | 29 | Very low | 105 Ų | 105 | 131.8 Ų | 131.8 | 68% | 0.682 | 79% | 0.786 | S | S | * | * | | | cis | -143.1 | 155.9 | -24.9 | 35 | -16.2 | 0 | 0 | 0 | 117.8 | | |
| 17 | S | 31.9 | Very low | 28.5 | Very low | 105 Ų | 105 | 131.4 Ų | 131.4 | 73% | 0.734 | 79% | 0.791 | S | S | * | * | | | trans | 74.4 | 155 | 141.6 | -75 | 0 | 0 | 0 | 0 | 120 | | |
| 18 | K | 31.8 | Very low | 28.4 | Very low | 176 Ų | 176 | 128.6 Ų | 128.6 | 77% | 0.765 | 79% | 0.788 | S | S | * | * | | | cis | -147.2 | 150.3 | 6.3 | -131.9 | 157.9 | -170.5 | 176.9 | 0 | 113.6 | | |
| 19 | R | 28 | Very low | 28.3 | Very low | 233 Ų | 233 | 129 Ų | 129 | 88% | 0.879 | 79% | 0.791 | S | S | * | * | | | trans | -7.5 | 147.9 | 158.6 | -52.4 | 171 | -178.6 | -175.4 | -2.8 | 118.8 | | |
| 20 | G | 25.3 | Very low | 28.2 | Very low | 74 Ų | 74 | 132.3 Ų | 132.3 | 76% | 0.763 | 79% | 0.793 | S | S | * | * | | | cis | 129.3 | 151.5 | -13.2 | 0 | 0 | 0 | 0 | 0 | 117.3 | | |
| 21 | K | 26 | Very low | 28.2 | Very low | 199 Ų | 199 | 135.2 Ų | 135.2 | 87% | 0.865 | 80% | 0.801 | S | S | * | * | | | trans | 77.3 | 125.7 | 151.8 | -125.7 | -172.9 | -172.8 | -171.9 | 0 | 121.5 | | |
| 22 | S | 24.8 | Very low | 28 | Very low | 103 Ų | 103 | 133.1 Ų | 133.1 | 72% | 0.72 | 79% | 0.792 | S | S | * | * | | | trans | 64.5 | 151 | 145.1 | 37.9 | 0 | 0 | 0 | 0 | 119.5 | | |
| 23 | S | 26.1 | Very low | 27.9 | Very low | 122 Ų | 122 | 130.2 Ų | 130.2 | 85% | 0.853 | 79% | 0.79 | S | S | * | * | | | cis | -171.5 | 156.6 | -5.2 | 42 | 0 | 0 | 0 | 0 | 110.2 | | |
| 24 | G | 23.3 | Very low | 27.9 | Very low | 80 Ų | 80 | 134.3 Ų | 134.3 | 83% | 0.825 | 79% | 0.792 | S | S | * | * | | | trans | 162 | 121.5 | 164 | 0 | 0 | 0 | 0 | 0 | 114.6 | | |
| 25 | S | 24.3 | Very low | 27.9 | Very low | 113 Ų | 113 | 135.5 Ų | 135.5 | 79% | 0.79 | 79% | 0.794 | S | S | * | * | | | trans | -79.9 | 142.1 | 176.3 | -173.9 | 0 | 0 | 0 | 0 | 111.8 | | |
| 26 | Q | 25.1 | Very low | 27.5 | Very low | 173 Ų | 173 | 133.7 Ų | 133.7 | 81% | 0.808 | 79% | 0.794 | S | S | * | * | | | | 172.7 | 138 | 107.2 | -91.2 | -170.4 | -91.5 | 0 | 0 | 114.3 | | |
| 27 | D | 20.9 | Very low | 26.8 | Very low | 141 Ų | 141 | 136.3 Ų | 136.3 | 75% | 0.754 | 80% | 0.801 | S | S | * | * | | | trans | 56.1 | 141.6 | 143.5 | -133.8 | -14.7 | 0 | 0 | 0 | 125 | | |
| 28 | S | 23 | Very low | 26.6 | Very low | 91 Ų | 91 | 136 Ų | 136 | 64% | 0.636 | 81% | 0.805 | S | S | * | * | | | trans | 70.1 | 133 | 150.4 | 75.4 | 0 | 0 | 0 | 0 | 122.9 | | |
| 29 | S | 26.4 | Very low | 26.5 | Very low | 112 Ų | 112 | 132 Ų | 132 | 78% | 0.783 | 80% | 0.804 | S | S | * | * | | | trans | 53.2 | 97.5 | 136.4 | -55.6 | 0 | 0 | 0 | 0 | 120.9 | | |
| 30 | Q | 29.5 | Very low | 26.5 | Very low | 196 Ų | 196 | 127 Ų | 127 | 92% | 0.916 | 80% | 0.8 | S | S | * | * | P | Polyproline II helix | trans | -72.4 | 129.3 | 156.6 | -71.2 | -111.3 | -74.2 | 0 | 0 | 111.3 | | |
| 31 | P | 26.7 | Very low | 26.6 | Very low | 118 Ų | 118 | 129.6 Ų | 129.6 | 77% | 0.766 | 81% | 0.805 | S | S | * | * | P | Polyproline II helix | trans | -87.1 | 149.5 | 168.3 | 33.6 | -32.8 | 0 | 0 | 0 | 112.8 | | |
| 32 | S | 24.8 | Very low | 26.7 | Very low | 105 Ų | 105 | 126.1 Ų | 126.1 | 73% | 0.734 | 81% | 0.806 | S | S | * | * | P | Polyproline II helix | trans | -65.3 | 160.4 | -175.9 | -60.6 | 0 | 0 | 0 | 0 | 114.8 | L34 | S32-L34 VanDerWaalsContact C-N 3.29Å; S32-L34 PolarHBondContact O-N 3.47Å |
| 33 | P | 28.6 | Very low | 26.9 | Very low | 130 Ų | 130 | 131 Ų | 131 | 84% | 0.844 | 81% | 0.814 | S | S | * | * | S | Bend | trans | -77.5 | 64.3 | -169.8 | 33.1 | -38.7 | 0 | 0 | 0 | 114.6 | | |
| 34 | L | 28.3 | Very low | 26.9 | Very low | 169 Ų | 169 | 133.8 Ų | 133.8 | 89% | 0.885 | 82% | 0.817 | S | S | * | * | | | trans | -100 | 0.8 | 172.6 | -133.4 | 76.4 | 0 | 0 | 0 | 113.8 | S32 | S32-L34 VanDerWaalsContact C-N 3.29Å; S32-L34 PolarHBondContact O-N 3.47Å |
| 35 | A | 30.1 | Very low | 26.9 | Very low | 94 Ų | 94 | 134 Ų | 134 | 78% | 0.777 | 82% | 0.819 | S | S | * | * | S | Bend | trans | -94.3 | -2.4 | -172.6 | 0 | 0 | 0 | 0 | 0 | 115.3 | | |
| 36 | L | 28.8 | Very low | 26.9 | Very low | 169 Ų | 169 | 131.8 Ų | 131.8 | 89% | 0.885 | 82% | 0.815 | S | S | * | * | S | Bend | trans | -103.9 | 19.8 | -171.6 | -151 | 72.4 | 0 | 0 | 0 | 114.5 | | |
| 37 | L | 28.5 | Very low | 27 | Very low | 160 Ų | 160 | 133.5 Ų | 133.5 | 84% | 0.838 | 82% | 0.823 | S | S | * | * | S | Bend | trans | -113.6 | 10.4 | 179.8 | -156.8 | 64.4 | 0 | 0 | 0 | 113.6 | | |
| 38 | A | 28.2 | Very low | 27.2 | Very low | 99 Ų | 99 | 130.9 Ų | 130.9 | 82% | 0.818 | 83% | 0.829 | S | S | * | * | S | Bend | trans | -105 | 13.1 | -172.5 | 0 | 0 | 0 | 0 | 0 | 115 | | |
| 39 | A | 29 | Very low | 27.2 | Very low | 91 Ų | 91 | 130.6 Ų | 130.6 | 75% | 0.752 | 84% | 0.84 | S | S | * | * | S | Bend | trans | -120.4 | 2.1 | -164.5 | 0 | 0 | 0 | 0 | 0 | 116.3 | | |
| 40 | T | 28.5 | Very low | 27.1 | Very low | 128 Ų | 128 | 130.3 Ų | 130.3 | 79% | 0.785 | 85% | 0.845 | S | S | * | * | S | Bend | trans | -133.8 | 51 | -171.5 | 54.3 | 0 | 0 | 0 | 0 | 113.9 | | |
| 41 | C | 27.4 | Very low | 26.8 | Very low | 129 Ų | 129 | 129.8 Ų | 129.8 | 87% | 0.872 | 84% | 0.842 | S | S | * | * | | | trans | -154.9 | 57.8 | 171.2 | -125.1 | 0 | 0 | 0 | 0 | 114.4 | | |
| 42 | S | 28.5 | Very low | 26.8 | Very low | 125 Ų | 125 | 130.1 Ų | 130.1 | 87% | 0.874 | 84% | 0.842 | S | S | * | * | | | trans | -153.6 | 70.5 | 175.5 | -73.5 | 0 | 0 | 0 | 0 | 113.6 | | |
| 43 | K | 28.4 | Very low | 26.7 | Very low | 206 Ų | 206 | 130 Ų | 130 | 90% | 0.896 | 85% | 0.847 | S | S | * | * | | | trans | -158.2 | 40 | 168.9 | -140.8 | -174.1 | 179.4 | -178.8 | 0 | 119.5 | | |
| 44 | I | 26.8 | Very low | 26.5 | Very low | 181 Ų | 181 | 133.1 Ų | 133.1 | 93% | 0.928 | 85% | 0.85 | S | S | * | * | | | trans | -135.7 | 110.4 | 157 | -54.3 | -179.5 | 0 | 0 | 0 | 108.6 | | |
| 45 | G | 23.1 | Very low | 26.2 | Very low | 83 Ų | 83 | 129.9 Ų | 129.9 | 86% | 0.856 | 85% | 0.848 | S | S | * | * | | | trans | 160.3 | 114.8 | -179.4 | 0 | 0 | 0 | 0 | 0 | 112.5 | | |
| 46 | G | 24.7 | Very low | 26 | Very low | 68 Ų | 68 | 135.1 Ų | 135.1 | 70% | 0.701 | 86% | 0.857 | S | S | * | * | | | trans | 150 | 89.5 | -175 | 0 | 0 | 0 | 0 | 0 | 109.4 | | |
| 47 | Q | 26.4 | Very low | 25.7 | Very low | 209 Ų | 209 | 132.1 Ų | 132.1 | 98% | 0.977 | 86% | 0.856 | S | S | * | * | | | | 81.4 | 117.3 | 89.3 | -82.4 | -169.3 | -5.9 | 0 | 0 | 113.6 | | |
| 48 | G | 24.9 | Very low | 25.5 | Very low | 86 Ų | 86 | 128.5 Ų | 128.5 | 89% | 0.887 | 86% | 0.858 | S | S | * | * | | | trans | 171.3 | 108.3 | 174.7 | 0 | 0 | 0 | 0 | 0 | 108.4 | | |
| 49 | G | 23.2 | Very low | 25.4 | Very low | 84 Ų | 84 | 128.5 Ų | 128.5 | 87% | 0.866 | 86% | 0.858 | S | S | * | * | | | trans | -123.5 | 144.4 | -174.8 | 0 | 0 | 0 | 0 | 0 | 112.2 | | |
| 50 | A | 25.6 | Very low | 25.2 | Very low | 107 Ų | 107 | 133.8 Ų | 133.8 | 88% | 0.884 | 87% | 0.867 | S | S | * | * | | | trans | -152.8 | 168.3 | 169.6 | 0 | 0 | 0 | 0 | 0 | 108.9 | | |
| 51 | E | 23.4 | Very low | 25 | Very low | 185 Ų | 185 | 136.3 Ų | 136.3 | 86% | 0.864 | 87% | 0.87 | S | S | * | * | | | trans | -89.6 | 143.9 | -155.6 | -73.4 | 169.9 | 78.3 | 0 | 0 | 117.3 | | |
| 52 | V | 24.6 | Very low | 24.9 | Very low | 124 Ų | 124 | 137 Ų | 137 | 75% | 0.752 | 86% | 0.863 | S | S | * | * | | | trans | 39.1 | 112.8 | 139.4 | -172 | 0 | 0 | 0 | 0 | 119.6 | | |
| 53 | A | 23.6 | Very low | 24.7 | Very low | 103 Ų | 103 | 138.9 Ų | 138.9 | 85% | 0.851 | 86% | 0.858 | S | S | * | * | | | trans | -140.7 | 136.8 | 134.9 | 0 | 0 | 0 | 0 | 0 | 109.2 | | |
| 54 | Q | 24.7 | Very low | 24.7 | Very low | 195 Ų | 195 | 134.5 Ų | 134.5 | 91% | 0.911 | 85% | 0.849 | S | S | * | * | | | trans | -92.6 | 132.3 | -178 | -66.8 | 176.1 | -71.7 | 0 | 0 | 112 | | |
| 55 | A | 22.5 | Very low | 24.7 | Very low | 102 Ų | 102 | 134 Ų | 134 | 84% | 0.843 | 84% | 0.843 | S | S | * | * | | | trans | -149.7 | 140.4 | 157.9 | 0 | 0 | 0 | 0 | 0 | 109.4 | | |
| 56 | Q | 24.5 | Very low | 24.8 | Very low | 204 Ų | 204 | 135.2 Ų | 135.2 | 95% | 0.953 | 84% | 0.844 | S | S | * | * | | | trans | -99 | 121.9 | -172.9 | -69 | 159.3 | -105.7 | 0 | 0 | 112.6 | | |
| 57 | A | 23.3 | Very low | 25.1 | Very low | 105 Ų | 105 | 134.7 Ų | 134.7 | 87% | 0.868 | 84% | 0.838 | S | S | * | * | | | trans | -164.6 | 141.1 | 144.7 | 0 | 0 | 0 | 0 | 0 | 108.8 | | |
| 58 | G | 25.1 | Very low | 25.2 | Very low | 85 Ų | 85 | 132.5 Ų | 132.5 | 88% | 0.876 | 83% | 0.828 | S | S | * | * | | | trans | -94.3 | 137.9 | -173.4 | 0 | 0 | 0 | 0 | 0 | 114.1 | | |
| 59 | A | 24.4 | Very low | 25.4 | Very low | 99 Ų | 99 | 134.1 Ų | 134.1 | 82% | 0.818 | 82% | 0.815 | S | S | * | * | | | trans | -142.1 | 123.1 | 160.1 | 0 | 0 | 0 | 0 | 0 | 108.8 | | |
| 60 | Q | 26.5 | Very low | 25.7 | Very low | 201 Ų | 201 | 135.9 Ų | 135.9 | 94% | 0.939 | 80% | 0.801 | S | S | * | * | P | Polyproline II helix | trans | -86.1 | 128.5 | 177.6 | -72.1 | 169.9 | -54.3 | 0 | 0 | 109.8 | | |
| 61 | Q | 23.4 | Very low | 25.8 | Very low | 181 Ų | 181 | 136.6 Ų | 136.6 | 85% | 0.846 | 79% | 0.79 | S | S | * | * | P | Polyproline II helix | trans | -87.4 | 123.4 | 176.3 | -70.5 | -176.7 | -18.3 | 0 | 0 | 110.6 | | |
| 62 | I | 25.1 | Very low | 25.9 | Very low | 144 Ų | 144 | 135.1 Ų | 135.1 | 74% | 0.738 | 78% | 0.782 | S | S | * | * | P | Polyproline II helix | trans | -82.4 | 122.6 | 167.1 | -61.3 | 168.6 | 0 | 0 | 0 | 107.6 | V64 | I62-V64 HydrophobicContact CG2-CG2 4.49Š|
| 63 | Q | 25.1 | Very low | 26 | Very low | 164 Ų | 164 | 134.6 Ų | 134.6 | 77% | 0.766 | 79% | 0.792 | S | S | * | * | P | Polyproline II helix | trans | -88.2 | 129.1 | 170.8 | -69.3 | -171.1 | -2.6 | 0 | 0 | 109.9 | | |
| 64 | V | 27.2 | Very low | 26.4 | Very low | 115 Ų | 115 | 133 Ų | 133 | 70% | 0.697 | 79% | 0.785 | S | S | * | * | | | trans | -107.5 | 118.4 | 174.6 | -178.2 | 0 | 0 | 0 | 0 | 108.4 | I62 | I62-V64 HydrophobicContact CG2-CG2 4.49Š|
| 65 | Q | 27.2 | Very low | 26.4 | Very low | 171 Ų | 171 | 128 Ų | 128 | 80% | 0.799 | 76% | 0.762 | S | S | * | * | | | trans | -88.7 | 143.6 | 171.8 | -70.4 | -173.1 | -6.9 | 0 | 0 | 110.7 | G67 | Q65-G67 PolarHBondContact O-N 2.87Š|
| 66 | A | 26.4 | Very low | 26.7 | Very low | 107 Ų | 107 | 127.7 Ų | 127.7 | 88% | 0.884 | 75% | 0.746 | S | S | * | * | | | trans | -78.5 | 102.4 | -176.2 | 0 | 0 | 0 | 0 | 0 | 111.7 | | |
| 67 | G | 30.1 | Very low | 26.9 | Very low | 57 Ų | 57 | 124.4 Ų | 124.4 | 59% | 0.588 | 73% | 0.73 | S | S | * | * | P | Polyproline II helix | trans | -67.9 | 147.9 | 169 | 0 | 0 | 0 | 0 | 0 | 112.3 | Q65 | Q65-G67 PolarHBondContact O-N 2.87Š|
| 68 | Q | 28.9 | Very low | 27.2 | Very low | 163 Ų | 163 | 121.5 Ų | 121.5 | 76% | 0.762 | 71% | 0.71 | S | S | * | * | P | Polyproline II helix | trans | -75.1 | 133.9 | 176.3 | -68.9 | -169.8 | -6.1 | 0 | 0 | 111.5 | | |
| 69 | I | 29.6 | Very low | 27.3 | Very low | 120 Ų | 120 | 123.7 Ų | 123.7 | 62% | 0.615 | 70% | 0.698 | S | S | * | * | P | Polyproline II helix | trans | -102.2 | 128 | 167.7 | -54.9 | 173.4 | 0 | 0 | 0 | 107.3 | L76 | I69-L76 HydrophobicContact CG2-CD2 3.72Š|
| 70 | Q | 29.7 | Very low | 27.6 | Very low | 121 Ų | 121 | 125.5 Ų | 125.5 | 57% | 0.565 | 69% | 0.692 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -125.8 | 137.2 | 172.8 | -66.4 | -172.2 | 12 | 0 | 0 | 109.9 | | |
| 71 | L | 26.1 | Very low | 27.7 | Very low | 123 Ų | 123 | 121.7 Ų | 121.7 | 64% | 0.644 | 68% | 0.682 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -91.2 | 128.2 | 169.9 | -74.5 | 96.8 | 0 | 0 | 0 | 109.9 | L76 | L71-L76 HydrophobicContact CD1-CD2 3.91Å; L71-L76 HydrophobicContact CD2-CD2 4.3Å; L71-L76 HydrophobicContact CD2-CG 4.32Å; L71-L76 HydrophobicContact CG-CD2 3.81Å; L71-L76 HydrophobicContact CG-CG 4.29Å |
| 72 | Q | 25.4 | Very low | 28 | Very low | 153 Ų | 153 | 119.2 Ų | 119.2 | 72% | 0.715 | 67% | 0.674 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -129.2 | 143.7 | 158.6 | -70.2 | -168.4 | -3.8 | 0 | 0 | 109.4 | G74 Q75 | Q72-G74 PolarHBondContact O-N 3.49Å; Q72-Q75 PolarHBondContact O-N 3.21Å; Q72-Q75 VanDerWaalsContact O-N 3.12Å |
| 73 | A | 27.3 | Very low | 28.2 | Very low | 114 Ų | 114 | 119.4 Ų | 119.4 | 94% | 0.942 | 68% | 0.676 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 49.1 | 27.4 | 172.2 | 0 | 0 | 0 | 0 | 0 | 117.3 | | |
| 74 | G | 32 | Very low | 28.5 | Very low | 70 Ų | 70 | 114.6 Ų | 114.6 | 72% | 0.722 | 67% | 0.665 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 79.8 | 14 | 177 | 0 | 0 | 0 | 0 | 0 | 115.4 | Q72 | Q72-G74 PolarHBondContact O-N 3.49Š|
| 75 | Q | 25.9 | Very low | 28.6 | Very low | 90 Ų | 90 | 114.8 Ų | 114.8 | 42% | 0.421 | 68% | 0.678 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -109.4 | 138.1 | 170.2 | -71.8 | -78.4 | -79.7 | 0 | 0 | 110.1 | Q72 | Q72-Q75 PolarHBondContact O-N 3.21Å; Q72-Q75 VanDerWaalsContact O-N 3.12Å |
| 76 | L | 28.1 | Very low | 28.8 | Very low | 95 Ų | 95 | 109.5 Ų | 109.5 | 50% | 0.497 | 67% | 0.67 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -95.9 | 101.8 | 168.1 | -89 | 166.4 | 0 | 0 | 0 | 108.3 | I69 L71 | I69-L76 HydrophobicContact CG2-CD2 3.72Å; L71-L76 HydrophobicContact CD1-CD2 3.91Å; L71-L76 HydrophobicContact CD2-CD2 4.3Å; L71-L76 HydrophobicContact CD2-CG 4.32Å; L71-L76 HydrophobicContact CG-CD2 3.81Å; L71-L76 HydrophobicContact CG-CG 4.29Å |
| 77 | Q | 27.9 | Very low | 29.1 | Very low | 135 Ų | 135 | 108.5 Ų | 108.5 | 63% | 0.631 | 67% | 0.67 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -108.4 | 124.7 | 169.1 | -70 | -177.9 | -9.4 | 0 | 0 | 108.6 | | |
| 78 | G | 29.2 | Very low | 29.1 | Very low | 43 Ų | 43 | 113.7 Ų | 113.7 | 44% | 0.443 | 68% | 0.679 | S | S | . | * | | | trans | -139.2 | 128.9 | 179.6 | 0 | 0 | 0 | 0 | 0 | 109.6 | | |
| 79 | Q | 28.6 | Very low | 29 | Very low | 132 Ų | 132 | 111 Ų | 111 | 62% | 0.617 | 68% | 0.684 | S | S | * | * | | | trans | -106.4 | 112.1 | -177.7 | -151.3 | 172.6 | 27.1 | 0 | 0 | 108.9 | | |
| 80 | I | 30 | Very low | 29 | Very low | 137 Ų | 137 | 112.2 Ų | 112.2 | 70% | 0.703 | 69% | 0.691 | S | S | * | * | | | trans | -90.9 | 108 | 176.5 | -59.4 | 174.3 | 0 | 0 | 0 | 107.6 | L82 | I80-L82 HydrophobicContact CG2-CG 4.37Š|
| 81 | V | 29 | Very low | 28.9 | Very low | 120 Ų | 120 | 112.7 Ų | 112.7 | 73% | 0.727 | 70% | 0.702 | S | S | * | * | | | trans | -90.2 | 114.2 | 173.1 | -177.7 | 0 | 0 | 0 | 0 | 108.5 | | |
| 82 | L | 29.3 | Very low | 29 | Very low | 130 Ų | 130 | 111.9 Ų | 111.9 | 68% | 0.681 | 70% | 0.704 | S | S | * | * | | | trans | -94.4 | 100.9 | 171.4 | -73.4 | 159.7 | 0 | 0 | 0 | 108.2 | I80 | I80-L82 HydrophobicContact CG2-CG 4.37Š|
| 83 | D | 30.3 | Very low | 29.1 | Very low | 147 Ų | 147 | 112.3 Ų | 112.3 | 79% | 0.786 | 71% | 0.706 | S | S | * | * | | | trans | -84.2 | 115.9 | 170.8 | -165.6 | -4.4 | 0 | 0 | 0 | 109.6 | | |
| 84 | A | 29.9 | Very low | 29.1 | Very low | 63 Ų | 63 | 114.5 Ų | 114.5 | 52% | 0.521 | 70% | 0.697 | S | S | . | * | | | trans | -104.1 | 113 | 179 | 0 | 0 | 0 | 0 | 0 | 108.9 | G86 | A84-G86 PolarHBondContact O-N 3.07Š|
| 85 | A | 30.7 | Very low | 28.9 | Very low | 119 Ų | 119 | 117.2 Ų | 117.2 | 98% | 0.983 | 70% | 0.695 | S | S | * | * | S | Bend | trans | -67.4 | 72.4 | 178.4 | 0 | 0 | 0 | 0 | 0 | 112 | | |
| 86 | G | 31.1 | Very low | 28.8 | Very low | 60 Ų | 60 | 120.9 Ų | 120.9 | 62% | 0.619 | 71% | 0.711 | S | S | * | * | S | Bend | trans | -166.1 | 14.1 | -164.6 | 0 | 0 | 0 | 0 | 0 | 116.8 | A84 Q88 | A84-G86 PolarHBondContact O-N 3.07Å; G86-Q88 VanDerWaalsContact C-N 3.27Å; G86-Q88 PolarHBondContact O-N 3.33Å |
| 87 | G | 33.1 | Very low | 28.7 | Very low | 86 Ų | 86 | 122 Ų | 122 | 89% | 0.887 | 72% | 0.718 | S | S | * | * | S | Bend | trans | 63.9 | 16.9 | 160.9 | 0 | 0 | 0 | 0 | 0 | 117.9 | | |
| 88 | Q | 28.2 | Very low | 28.5 | Very low | 167 Ų | 167 | 121.4 Ų | 121.4 | 78% | 0.78 | 72% | 0.723 | S | S | * | * | | | trans | -117.2 | 124.8 | 178.1 | -72.9 | -75.9 | -10 | 0 | 0 | 109.4 | G86 L90 | G86-Q88 VanDerWaalsContact C-N 3.27Å; G86-Q88 PolarHBondContact O-N 3.33Å; Q88-L90 PolarHBondContact O-N 3.35Å; Q88-L90 VanDerWaalsContact O-N 3.15Å |
| 89 | A | 28.5 | Very low | 28.3 | Very low | 105 Ų | 105 | 124.4 Ų | 124.4 | 87% | 0.868 | 74% | 0.735 | S | S | * | * | | | trans | -80 | 97.4 | -174.3 | 0 | 0 | 0 | 0 | 0 | 111.7 | | |
| 90 | L | 28.3 | Very low | 28.1 | Very low | 147 Ų | 147 | 122.4 Ų | 122.4 | 77% | 0.77 | 74% | 0.74 | S | S | * | * | | | trans | -81.1 | 133.7 | 171.9 | -71.2 | 168.8 | 0 | 0 | 0 | 110.9 | Q88 | Q88-L90 PolarHBondContact O-N 3.35Å; Q88-L90 VanDerWaalsContact O-N 3.15Å |
| 91 | V | 27.3 | Very low | 27.8 | Very low | 130 Ų | 130 | 124.8 Ų | 124.8 | 79% | 0.788 | 75% | 0.749 | S | S | * | * | | | trans | -69.7 | 131.9 | 179.6 | 178.5 | 0 | 0 | 0 | 0 | 109.7 | Q93 | V91-Q93 PolarHBondContact O-N 3.2Å; V91-Q93 VanDerWaalsContact O-N 3.08Å |
| 92 | P | 28.3 | Very low | 27.6 | Very low | 107 Ų | 107 | 129 Ų | 129 | 70% | 0.695 | 76% | 0.757 | S | S | * | * | | | trans | -65.3 | 111.6 | 178.6 | 26.4 | -34.4 | 0 | 0 | 0 | 110.7 | | |
| 93 | Q | 28.2 | Very low | 27.4 | Very low | 162 Ų | 162 | 128.9 Ų | 128.9 | 76% | 0.757 | 76% | 0.762 | S | S | * | * | | | trans | -88.5 | 117.3 | -179 | -168 | 167.3 | 93.1 | 0 | 0 | 110.3 | V91 | V91-Q93 PolarHBondContact O-N 3.2Å; V91-Q93 VanDerWaalsContact O-N 3.08Å |
| 94 | Q | 27.2 | Very low | 27.2 | Very low | 159 Ų | 159 | 125 Ų | 125 | 74% | 0.743 | 76% | 0.756 | S | S | * | * | | | trans | -89.7 | 112.5 | -174.7 | -167.9 | 168.6 | 1 | 0 | 0 | 110 | | |
| 95 | L | 27.7 | Very low | 27.1 | Very low | 128 Ų | 128 | 130.4 Ų | 130.4 | 67% | 0.67 | 78% | 0.777 | S | S | * | * | | | trans | -80.2 | 118.4 | 175 | -86.8 | 71.8 | 0 | 0 | 0 | 109.9 | | |
| 96 | E | 23.7 | Very low | 26.9 | Very low | 166 Ų | 166 | 127.9 Ų | 127.9 | 78% | 0.776 | 76% | 0.763 | S | S | * | * | | | trans | -104.6 | 125.5 | 174.2 | -162.6 | 176.8 | 159.6 | 0 | 0 | 110.3 | | |
| 97 | L | 27.4 | Very low | 26.7 | Very low | 120 Ų | 120 | 137.4 Ų | 137.4 | 63% | 0.628 | 78% | 0.78 | S | S | * | * | | | trans | -100.4 | 94.7 | -174.1 | -77.2 | 165.8 | 0 | 0 | 0 | 110.9 | | |
| 98 | V | 23.4 | Very low | 26.4 | Very low | 122 Ų | 122 | 141.4 Ų | 141.4 | 74% | 0.739 | 78% | 0.775 | S | S | * | * | | | trans | -74.5 | 132.7 | 179 | -175.2 | 0 | 0 | 0 | 0 | 110.8 | A100 | V98-A100 PolarHBondContact O-N 3.27Š|
| 99 | P | 23.9 | Very low | 26.4 | Very low | 106 Ų | 106 | 140.6 Ų | 140.6 | 69% | 0.688 | 78% | 0.775 | S | S | * | * | | | trans | -74.5 | 110.7 | -177 | 28.5 | -34.8 | 0 | 0 | 0 | 113 | | |
| 100 | A | 24.2 | Very low | 26.2 | Very low | 89 Ų | 89 | 142.2 Ų | 142.2 | 74% | 0.736 | 77% | 0.767 | S | S | * | * | | | trans | -84 | 143.7 | 166.4 | 0 | 0 | 0 | 0 | 0 | 111.3 | V98 | V98-A100 PolarHBondContact O-N 3.27Š|
| 101 | Q | 23.8 | Very low | 26.2 | Very low | 188 Ų | 188 | 140 Ų | 140 | 88% | 0.879 | 76% | 0.76 | S | S | * | * | | | trans | -85.1 | 147.1 | -174.5 | -64.2 | -172.9 | 3.8 | 0 | 0 | 113.1 | T103 | Q101-T103 PolarHBondContact O-N 3.5Š|
| 102 | F | 24.8 | Very low | 26 | Very low | 207 Ų | 207 | 138.3 Ų | 138.3 | 91% | 0.908 | 76% | 0.76 | S | S | * | * | | | trans | -74.3 | 112.6 | -171.6 | -135.6 | -97.9 | 0 | 0 | 0 | 112 | | |
| 103 | T | 25.5 | Very low | 25.7 | Very low | 129 Ų | 129 | 137.8 Ų | 137.8 | 79% | 0.791 | 77% | 0.765 | S | S | * | * | | | trans | -121.3 | 152.3 | 157 | 62.1 | 0 | 0 | 0 | 0 | 109.1 | Q101 | Q101-T103 PolarHBondContact O-N 3.5Š|
| 104 | G | 25.9 | Very low | 25.7 | Very low | 64 Ų | 64 | 134.9 Ų | 134.9 | 66% | 0.66 | 76% | 0.76 | S | S | * | * | S | Bend | trans | -69.2 | 146.6 | -158.2 | 0 | 0 | 0 | 0 | 0 | 116 | | |
| 105 | N | 28.7 | Very low | 25.6 | Very low | 178 Ų | 178 | 134.1 Ų | 134.1 | 95% | 0.952 | 77% | 0.767 | S | S | * | * | S | Bend | trans | 70.2 | 54.6 | 160 | -55.4 | -11 | 0 | 0 | 0 | 117.7 | | |
| 106 | G | 25.8 | Very low | 25.5 | Very low | 66 Ų | 66 | 135.4 Ų | 135.4 | 68% | 0.68 | 77% | 0.771 | S | S | * | * | | | trans | 171.3 | 139.7 | 158.9 | 0 | 0 | 0 | 0 | 0 | 113.9 | Q108 | G106-Q108 PolarHBondContact O-N 3.3Š|
| 107 | W | 27.7 | Very low | 25.5 | Very low | 259 Ų | 259 | 131.8 Ų | 131.8 | 98% | 0.981 | 77% | 0.769 | S | S | * | * | | | trans | -81.8 | 109 | 167.2 | -73 | 91.1 | 0 | 0 | 0 | 109.3 | | |
| 108 | Q | 25.6 | Very low | 25.7 | Very low | 170 Ų | 170 | 136 Ų | 136 | 79% | 0.794 | 78% | 0.782 | S | S | * | * | | | trans | -98.1 | 115.6 | 165.3 | -72.4 | -170.9 | -14.9 | 0 | 0 | 109.7 | G106 I110 | G106-Q108 PolarHBondContact O-N 3.3Å; Q108-I110 HydrophobicContact CB-CG1 4.47Å; Q108-I110 PolarHBondContact O-N 3.42Å |
| 109 | I | 28.5 | Very low | 25.9 | Very low | 151 Ų | 151 | 138.5 Ų | 138.5 | 77% | 0.774 | 79% | 0.786 | S | S | * | * | | | trans | -86.4 | 101.2 | 170.4 | -57.3 | 176.2 | 0 | 0 | 0 | 107.6 | T111 | I109-T111 HydrophobicContact CG2-CG2 4.17Š|
| 110 | I | 23.9 | Very low | 26.3 | Very low | 138 Ų | 138 | 140.8 Ų | 140.8 | 71% | 0.708 | 79% | 0.793 | S | S | * | * | | | trans | -94.2 | 94.5 | 174 | -55.3 | 177.9 | 0 | 0 | 0 | 108.2 | Q108 | Q108-I110 HydrophobicContact CB-CG1 4.47Å; Q108-I110 PolarHBondContact O-N 3.42Å |
| 111 | T | 28.3 | Very low | 26.4 | Very low | 100 Ų | 100 | 142.9 Ų | 142.9 | 61% | 0.613 | 80% | 0.796 | S | S | * | * | P | Polyproline II helix | trans | -76.9 | 130.1 | 168 | 52.1 | 0 | 0 | 0 | 0 | 110 | I109 | I109-T111 HydrophobicContact CG2-CG2 4.17Š|
| 112 | A | 24.2 | Very low | 26.6 | Very low | 95 Ų | 95 | 139.6 Ų | 139.6 | 79% | 0.785 | 80% | 0.795 | S | S | * | * | P | Polyproline II helix | trans | -59.7 | 141 | 166.4 | 0 | 0 | 0 | 0 | 0 | 110.4 | P114 | A112-P114 WeakPolarHBondContact O-CD 3.41Š|
| 113 | A | 22.3 | Very low | 26.6 | Very low | 97 Ų | 97 | 138.1 Ų | 138.1 | 80% | 0.802 | 79% | 0.79 | S | S | * | * | P | Polyproline II helix | trans | -71 | 124.5 | -173.1 | 0 | 0 | 0 | 0 | 0 | 111.8 | | |
| 114 | P | 27.2 | Very low | 26.5 | Very low | 100 Ų | 100 | 137.4 Ų | 137.4 | 65% | 0.649 | 79% | 0.788 | S | S | * | * | P | Polyproline II helix | trans | -75.4 | 130.2 | 176.8 | 29.7 | -33.6 | 0 | 0 | 0 | 111.2 | A112 M116 | A112-P114 WeakPolarHBondContact O-CD 3.41Å; P114-M116 PolarHBondContact O-N 3.09Å; P114-M116 VanDerWaalsContact O-N 3.1Å |
| 115 | T | 24.2 | Very low | 26.6 | Very low | 144 Ų | 144 | 140.5 Ų | 140.5 | 88% | 0.883 | 79% | 0.794 | S | S | * | * | | | trans | -71.8 | 101.1 | 167.5 | 40.7 | 0 | 0 | 0 | 0 | 109.8 | A117 | T115-A117 PolarHBondContact O-N 3.3Š|
| 116 | M | 26.2 | Very low | 26.4 | Very low | 154 Ų | 154 | 136.1 Ų | 136.1 | 76% | 0.759 | 78% | 0.782 | S | S | * | * | | | trans | -61.7 | 123.4 | -177.4 | -79.6 | -170.3 | 68.5 | 0 | 0 | 113.2 | P114 | P114-M116 PolarHBondContact O-N 3.09Å; P114-M116 VanDerWaalsContact O-N 3.1Å |
| 117 | A | 23 | Very low | 26.5 | Very low | 90 Ų | 90 | 138 Ų | 138 | 74% | 0.744 | 78% | 0.781 | S | S | * | * | | | trans | -66.7 | 144.7 | 146.6 | 0 | 0 | 0 | 0 | 0 | 109.2 | T115 E119 | T115-A117 PolarHBondContact O-N 3.3Å; A117-E119 PolarHBondContact O-N 3.37Å |
| 118 | K | 33.6 | Very low | 26.4 | Very low | 208 Ų | 208 | 131.9 Ų | 131.9 | 90% | 0.904 | 77% | 0.772 | S | S | * | * | | | trans | -95.7 | 74.7 | -159.7 | -171.8 | -166.2 | 175.7 | -176.4 | 0 | 112.9 | | |
| 119 | E | 26.5 | Very low | 26.4 | Very low | 175 Ų | 175 | 129.4 Ų | 129.4 | 82% | 0.818 | 77% | 0.768 | S | S | * | * | | | trans | -123.7 | 154 | 167.7 | -64.4 | -156.6 | 147.4 | 0 | 0 | 112.3 | A117 | A117-E119 PolarHBondContact O-N 3.37Š|
| 120 | N | 32.6 | Very low | 26.1 | Very low | 154 Ų | 154 | 126.6 Ų | 126.6 | 82% | 0.824 | 77% | 0.767 | S | S | * | * | | | trans | -134.1 | 81.5 | -153.5 | -177.2 | 49.1 | 0 | 0 | 0 | 112.1 | | |
| 121 | T | 26.3 | Very low | 26.1 | Very low | 133 Ų | 133 | 125.2 Ų | 125.2 | 82% | 0.816 | 77% | 0.77 | S | S | * | * | | | trans | -143.1 | 119.2 | 177.4 | 22.2 | 0 | 0 | 0 | 0 | 110.9 | | |
| 122 | S | 27.6 | Very low | 25.9 | Very low | 120 Ų | 120 | 126.9 Ų | 126.9 | 84% | 0.839 | 78% | 0.78 | S | S | * | * | | | trans | -90.4 | 109.4 | -177.2 | -49 | 0 | 0 | 0 | 0 | 111.6 | | |
| 123 | Q | 24.2 | Very low | 25.9 | Very low | 176 Ų | 176 | 130.2 Ų | 130.2 | 82% | 0.822 | 78% | 0.784 | S | S | * | * | | | trans | -137.8 | 136.8 | 163.9 | -69.1 | -167.8 | 3.4 | 0 | 0 | 110.7 | | |
| 124 | P | 24.8 | Very low | 25.9 | Very low | 114 Ų | 114 | 130.1 Ų | 130.1 | 74% | 0.74 | 78% | 0.783 | S | S | * | * | | | trans | -81.2 | 125 | 176.6 | 31.7 | -32.4 | 0 | 0 | 0 | 111.2 | | |
| 125 | V | 27.1 | Very low | 25.8 | Very low | 129 Ų | 129 | 133.1 Ų | 133.1 | 78% | 0.782 | 79% | 0.794 | S | S | * | * | | | trans | -89.2 | 113.8 | 172.1 | 180 | 0 | 0 | 0 | 0 | 109.1 | V127 | V125-V127 HydrophobicContact CG1-CG2 4.32Š|
| 126 | A | 24.9 | Very low | 25.7 | Very low | 86 Ų | 86 | 132.7 Ų | 132.7 | 71% | 0.711 | 79% | 0.786 | S | S | * | * | | | trans | -85.6 | 116.7 | 176 | 0 | 0 | 0 | 0 | 0 | 110.9 | | |
| 127 | V | 27.3 | Very low | 25.6 | Very low | 106 Ų | 106 | 131 Ų | 131 | 64% | 0.642 | 79% | 0.789 | S | S | * | * | | | trans | -105 | 112.8 | 175.6 | -177.7 | 0 | 0 | 0 | 0 | 109.3 | V125 V129 | V125-V127 HydrophobicContact CG1-CG2 4.32Å; V127-V129 HydrophobicContact CG1-CG2 4.14Å |
| 128 | T | 25.9 | Very low | 25.7 | Very low | 129 Ų | 129 | 131.7 Ų | 131.7 | 79% | 0.791 | 79% | 0.788 | S | S | * | * | | | trans | -89.6 | 119.6 | 175.8 | -56.3 | 0 | 0 | 0 | 0 | 110.1 | | |
| 129 | V | 25.8 | Very low | 25.6 | Very low | 118 Ų | 118 | 128.5 Ų | 128.5 | 72% | 0.715 | 79% | 0.789 | S | S | * | * | | | trans | -115.8 | 119.3 | 173.3 | -174 | 0 | 0 | 0 | 0 | 108.8 | V127 | V127-V129 HydrophobicContact CG1-CG2 4.14Š|
| 130 | A | 23 | Very low | 25.5 | Very low | 93 Ų | 93 | 123.6 Ų | 123.6 | 77% | 0.769 | 79% | 0.785 | S | S | * | * | | | trans | -99.9 | 125.6 | 174.6 | 0 | 0 | 0 | 0 | 0 | 110.1 | | |
| 131 | S | 23.6 | Very low | 25.1 | Very low | 109 Ų | 109 | 120.4 Ų | 120.4 | 76% | 0.762 | 79% | 0.789 | S | S | * | * | | | trans | -102.8 | 137.3 | 172.7 | 53.2 | 0 | 0 | 0 | 0 | 110.7 | | |
| 132 | T | 23.3 | Very low | 25.1 | Very low | 135 Ų | 135 | 125.5 Ų | 125.5 | 83% | 0.828 | 79% | 0.793 | S | S | * | * | | | trans | -110.6 | 115.3 | 170.7 | 44.6 | 0 | 0 | 0 | 0 | 109.3 | A134 | T132-A134 VanDerWaalsContact C-N 3.35Å; T132-A134 PolarHBondContact O-N 3.01Å |
| 133 | L | 24.2 | Very low | 25 | Very low | 165 Ų | 165 | 130 Ų | 130 | 86% | 0.864 | 80% | 0.798 | S | S | * | * | | | trans | -78 | 82.2 | 179.1 | -79.5 | 167.7 | 0 | 0 | 0 | 111 | N135 | L133-N135 VanDerWaalsContact C-N 3.32Å; L133-N135 PolarHBondContact O-N 3.36Å; L133-N135 VanDerWaalsContact O-N 3.07Å |
| 134 | A | 23.4 | Very low | 25 | Very low | 94 Ų | 94 | 129.7 Ų | 129.7 | 78% | 0.777 | 80% | 0.801 | S | S | * | * | | | trans | -79.9 | 75.4 | 172.9 | 0 | 0 | 0 | 0 | 0 | 111.5 | T132 D136 | T132-A134 VanDerWaalsContact C-N 3.35Å; T132-A134 PolarHBondContact O-N 3.01Å; A134-D136 PolarHBondContact O-N 3.02Å |
| 135 | N | 25 | Very low | 24.9 | Very low | 164 Ų | 164 | 132.9 Ų | 132.9 | 88% | 0.877 | 80% | 0.803 | S | S | * | * | | | trans | -79 | 98.5 | 163.7 | -92.9 | -14.5 | 0 | 0 | 0 | 109.4 | L133 | L133-N135 VanDerWaalsContact C-N 3.32Å; L133-N135 PolarHBondContact O-N 3.36Å; L133-N135 VanDerWaalsContact O-N 3.07Å |
| 136 | D | 22.1 | Very low | 24.8 | Very low | 135 Ų | 135 | 133.4 Ų | 133.4 | 72% | 0.722 | 81% | 0.807 | S | S | * | * | | | trans | -143 | 131.2 | 167.9 | -156.7 | -22.5 | 0 | 0 | 0 | 112.1 | A134 | A134-D136 PolarHBondContact O-N 3.02Š|
| 137 | S | 23.7 | Very low | 24.7 | Very low | 117 Ų | 117 | 135.2 Ų | 135.2 | 82% | 0.818 | 81% | 0.809 | S | S | * | * | | | trans | -170.5 | 68 | 174.4 | -81.3 | 0 | 0 | 0 | 0 | 110.5 | | |
| 138 | S | 24.6 | Very low | 24.5 | Very low | 105 Ų | 105 | 136.4 Ų | 136.4 | 73% | 0.734 | 82% | 0.822 | S | S | * | * | | | trans | -147.5 | 100.8 | 169.9 | -81.1 | 0 | 0 | 0 | 0 | 112.4 | G140 | S138-G140 PolarHBondContact O-N 3.05Š|
| 139 | P | 30.9 | Very low | 24.4 | Very low | 142 Ų | 142 | 133.8 Ų | 133.8 | 92% | 0.922 | 82% | 0.821 | S | S | * | * | | | trans | -85.6 | 104.2 | -177.4 | 32.3 | -32.6 | 0 | 0 | 0 | 112.2 | | |
| 140 | G | 25.9 | Very low | 24.6 | Very low | 71 Ų | 71 | 134.3 Ų | 134.3 | 73% | 0.732 | 83% | 0.825 | S | S | * | * | | | trans | -143.5 | 41.2 | -171 | 0 | 0 | 0 | 0 | 0 | 116.5 | S138 R142 | S138-G140 PolarHBondContact O-N 3.05Å; G140-R142 PolarHBondContact O-N 3.46Å |
| 141 | G | 23.4 | Very low | 24.7 | Very low | 88 Ų | 88 | 138 Ų | 138 | 91% | 0.907 | 83% | 0.831 | S | S | * | * | | | trans | -69 | 95 | -173 | 0 | 0 | 0 | 0 | 0 | 116 | | |
| 142 | R | 25.9 | Very low | 24.8 | Very low | 240 Ų | 240 | 137.7 Ų | 137.7 | 91% | 0.906 | 83% | 0.829 | S | S | * | * | | | trans | -96.9 | 122.7 | 157.5 | -87.8 | -175 | 169.4 | 179.2 | -1.9 | 110.3 | G140 L144 | G140-R142 PolarHBondContact O-N 3.46Å; R142-L144 PolarHBondContact O-N 3.31Å |
| 143 | K | 26.5 | Very low | 24.7 | Very low | 213 Ų | 213 | 137.7 Ų | 137.7 | 93% | 0.926 | 83% | 0.829 | S | S | * | * | | | trans | -69.3 | 113.6 | 174.5 | -68.6 | 179.9 | 177.4 | 178.9 | 0 | 110.1 | | |
| 144 | L | 23.6 | Very low | 24.8 | Very low | 170 Ų | 170 | 135.4 Ų | 135.4 | 89% | 0.89 | 82% | 0.824 | S | S | * | * | P | Polyproline II helix | trans | -83.6 | 139.9 | 167.4 | -137 | 74.4 | 0 | 0 | 0 | 110.3 | R142 | R142-L144 PolarHBondContact O-N 3.31Š|
| 145 | K | 23.7 | Very low | 24.8 | Very low | 181 Ų | 181 | 135.5 Ų | 135.5 | 79% | 0.787 | 83% | 0.825 | S | S | * | * | P | Polyproline II helix | trans | -94.4 | 132.4 | -178.3 | -176.3 | 178.5 | 178.8 | -177.3 | 0 | 109.2 | T147 | K145-T147 PolarHBondContact O-N 3.07Š|
| 146 | T | 23.6 | Very low | 24.8 | Very low | 141 Ų | 141 | 135.1 Ų | 135.1 | 87% | 0.865 | 82% | 0.822 | S | S | * | * | P | Polyproline II helix | trans | -74.2 | 122.4 | 178 | 37.7 | 0 | 0 | 0 | 0 | 111.7 | | |
| 147 | T | 22.5 | Very low | 25.1 | Very low | 123 Ų | 123 | 136.5 Ų | 136.5 | 76% | 0.755 | 83% | 0.825 | S | S | * | * | | | trans | -140.8 | 135.7 | 167 | 46.1 | 0 | 0 | 0 | 0 | 110.1 | K145 | K145-T147 PolarHBondContact O-N 3.07Š|
| 148 | S | 23.9 | Very low | 25.3 | Very low | 131 Ų | 131 | 139.4 Ų | 139.4 | 92% | 0.916 | 83% | 0.825 | S | S | * | * | | | trans | -52.1 | 144.2 | -176.8 | -172.8 | 0 | 0 | 0 | 0 | 114.9 | | |
| 149 | G | 23 | Very low | 25.4 | Very low | 74 Ų | 74 | 142.4 Ų | 142.4 | 76% | 0.763 | 83% | 0.828 | S | S | * | * | | | trans | 175.2 | 121.3 | 168.7 | 0 | 0 | 0 | 0 | 0 | 112.2 | | |
| 150 | T | 30.2 | Very low | 25.2 | Very low | 130 Ų | 130 | 142.5 Ų | 142.5 | 80% | 0.798 | 82% | 0.816 | S | S | * | * | | | trans | -91.8 | 130.9 | 178.3 | 48.3 | 0 | 0 | 0 | 0 | 111.9 | | |
| 151 | N | 24.7 | Very low | 25.1 | Very low | 170 Ų | 170 | 147.8 Ų | 147.8 | 91% | 0.909 | 82% | 0.821 | S | S | * | * | | | trans | -172.8 | 170.4 | 142.5 | -93.2 | -24.7 | 0 | 0 | 0 | 110.1 | | |
| 152 | S | 25.6 | Very low | 25.1 | Very low | 103 Ų | 103 | 151.4 Ų | 151.4 | 72% | 0.72 | 81% | 0.812 | S | S | * | * | | | trans | -121 | 171.4 | -161.4 | 52.4 | 0 | 0 | 0 | 0 | 114.8 | | |
| 153 | V | 22.5 | Very low | 25.1 | Very low | 135 Ų | 135 | 146.9 Ų | 146.9 | 82% | 0.818 | 80% | 0.802 | S | S | * | * | | | trans | 78.9 | 139.2 | 170.3 | -169.5 | 0 | 0 | 0 | 0 | 115.8 | | |
| 154 | P | 27 | Very low | 25.2 | Very low | 116 Ų | 116 | 141.2 Ų | 141.2 | 75% | 0.753 | 78% | 0.781 | S | S | * | * | | | cis | -114.7 | 169.9 | -22.5 | 36.7 | -23.4 | 0 | 0 | 0 | 113 | | |
| 155 | A | 23.1 | Very low | 25.4 | Very low | 97 Ų | 97 | 137.4 Ų | 137.4 | 80% | 0.802 | 76% | 0.76 | S | S | * | * | | | trans | -87.4 | 122.6 | 168.8 | 0 | 0 | 0 | 0 | 0 | 111.1 | | |
| 156 | N | 23.8 | Very low | 25.6 | Very low | 155 Ų | 155 | 133.9 Ų | 133.9 | 83% | 0.829 | 75% | 0.747 | S | S | * | * | | | trans | -81.3 | 114.2 | 172.7 | -172.7 | -10.7 | 0 | 0 | 0 | 109.6 | Q158 | N156-Q158 PolarHBondContact O-N 3.33Š|
| 157 | Q | 29 | Very low | 25.8 | Very low | 165 Ų | 165 | 131.1 Ų | 131.1 | 77% | 0.771 | 73% | 0.729 | S | S | * | * | | | trans | -79.3 | 109.1 | 179.3 | -67.9 | -173.6 | 10.5 | 0 | 0 | 111.1 | Q159 | Q157-Q159 PolarHBondContact O-N 2.98Š|
| 158 | Q | 28.6 | Very low | 26.3 | Very low | 177 Ų | 177 | 130.4 Ų | 130.4 | 83% | 0.827 | 72% | 0.717 | S | S | * | * | | | trans | -68.2 | 110.1 | 160.2 | -72.3 | -177.2 | -34.2 | 0 | 0 | 109.1 | N156 Q160 | N156-Q158 PolarHBondContact O-N 3.33Å; Q158-Q160 PolarHBondContact O-N 2.81Å; Q158-Q160 VanDerWaalsContact O-N 3.09Å |
| 159 | Q | 25.8 | Very low | 26.6 | Very low | 169 Ų | 169 | 128.6 Ų | 128.6 | 79% | 0.79 | 70% | 0.697 | S | S | * | * | | | trans | -68.2 | 104.7 | 174.7 | -72.6 | -177.3 | -20.6 | 0 | 0 | 110.4 | Q157 Q161 | Q157-Q159 PolarHBondContact O-N 2.98Å; Q159-Q161 PolarHBondContact O-N 3.2Å |
| 160 | Q | 25.9 | Very low | 26.9 | Very low | 143 Ų | 143 | 129.2 Ų | 129.2 | 67% | 0.668 | 68% | 0.683 | S | S | * | * | | | trans | -79.3 | 106 | 167 | -65.8 | -177.9 | 2.9 | 0 | 0 | 108.7 | Q158 F162 | Q158-Q160 PolarHBondContact O-N 2.81Å; Q158-Q160 VanDerWaalsContact O-N 3.09Å; Q160-F162 HydrophobicContact CB-CE2 3.88Å; Q160-F162 HydrophobicContact CB-CZ 4.15Å; Q160-F162 WeakPolarHBondContact O-CD2 3.42Å; Q160-F162 PolarHBondContact O-N 3Å |
| 161 | Q | 24.9 | Very low | 26.9 | Very low | 182 Ų | 182 | 129 Ų | 129 | 85% | 0.85 | 68% | 0.684 | S | S | * | * | | | trans | -78.2 | 114 | 170.6 | -76.2 | -170.1 | -28.4 | 0 | 0 | 110.1 | Q159 | Q159-Q161 PolarHBondContact O-N 3.2Š|
| 162 | F | 24 | Very low | 27.2 | Very low | 164 Ų | 164 | 124.1 Ų | 124.1 | 72% | 0.719 | 66% | 0.663 | S | S | * | * | | | trans | -90 | 120.5 | 169.5 | -62.4 | -87 | 0 | 0 | 0 | 109.3 | Q160 | Q160-F162 HydrophobicContact CB-CE2 3.88Å; Q160-F162 HydrophobicContact CB-CZ 4.15Å; Q160-F162 WeakPolarHBondContact O-CD2 3.42Å; Q160-F162 PolarHBondContact O-N 3Å |
| 163 | Q | 26.2 | Very low | 27.6 | Very low | 146 Ų | 146 | 124.9 Ų | 124.9 | 68% | 0.682 | 68% | 0.676 | S | S | * | * | | | trans | -100.5 | 114.8 | 168.6 | -98.4 | -176.9 | -7.6 | 0 | 0 | 109.9 | | |
| 164 | I | 27.3 | Very low | 28.2 | Very low | 94 Ų | 94 | 121.7 Ų | 121.7 | 48% | 0.482 | 67% | 0.67 | S | S | . | * | P | Polyproline II helix | trans | -92 | 118 | 171.3 | -59.6 | 174.3 | 0 | 0 | 0 | 107.6 | | |
| 165 | I | 27.6 | Very low | 28.4 | Very low | 90 Ų | 90 | 120.6 Ų | 120.6 | 46% | 0.462 | 68% | 0.68 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -100.5 | 121.1 | 176.9 | -64.7 | 171.5 | 0 | 0 | 0 | 108.3 | V167 V181 | I165-V167 HydrophobicContact CG2-CG2 4.07Å; I165-V181 HydrophobicContact CG2-CG1 4.11Å |
| 166 | Q | 29 | Very low | 28.6 | Very low | 107 Ų | 107 | 117.8 Ų | 117.8 | 50% | 0.5 | 66% | 0.66 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -99.5 | 142.5 | 159.9 | -69.4 | -163.2 | -1.6 | 0 | 0 | 109.9 | | |
| 167 | V | 28.2 | Very low | 28.8 | Very low | 83 Ų | 83 | 114.3 Ų | 114.3 | 50% | 0.503 | 65% | 0.645 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -118.4 | 122.1 | 175.1 | 179.9 | 0 | 0 | 0 | 0 | 107.5 | I165 Y179 | I165-V167 HydrophobicContact CG2-CG2 4.07Å; V167-Y179 HydrophobicContact CG1-CD1 3.62Å; V167-Y179 HydrophobicContact CG1-CE1 4.41Å; V167-Y179 HydrophobicContact CG1-CG 4.14Å |
| 168 | Q | 31 | Very low | 28.7 | Very low | 107 Ų | 107 | 112.8 Ų | 112.8 | 50% | 0.5 | 64% | 0.637 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -118.8 | 141.1 | 179.2 | -162.8 | 150.8 | 85.2 | 0 | 0 | 110.4 | | |
| 169 | N | 30.3 | Very low | 28.7 | Very low | 93 Ų | 93 | 110.9 Ų | 110.9 | 50% | 0.497 | 62% | 0.624 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -95.8 | 120.7 | -174.6 | -177.1 | -16.7 | 0 | 0 | 0 | 109.7 | Y179 | N169-Y179 HydrophobicContact CB-CE1 4.46Å |
| 170 | L | 29.3 | Very low | 28.8 | Very low | 87 Ų | 87 | 108.7 Ų | 108.7 | 46% | 0.455 | 61% | 0.613 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -103.4 | 119.5 | 174.3 | -95.7 | 68.7 | 0 | 0 | 0 | 110.7 | S172 | L170-S172 PolarHBondContact O-N 3Å |
| 171 | P | 31.6 | Very low | 28.9 | Very low | 126 Ų | 126 | 106.1 Ų | 106.1 | 82% | 0.818 | 61% | 0.607 | S | S | * | * | | | trans | -73.8 | 97.4 | 176.6 | 29.9 | -33.5 | 0 | 0 | 0 | 110.9 | | |
| 172 | S | 30.6 | Very low | 29.1 | Very low | 67 Ų | 67 | 101 Ų | 101 | 47% | 0.469 | 59% | 0.585 | S | S | . | * | | | trans | -79.8 | 129.5 | 170.9 | -68.6 | 0 | 0 | 0 | 0 | 111.2 | L170 G174 | L170-S172 PolarHBondContact O-N 3Å; S172-G174 PolarHBondContact O-N 3.49Å |
| 173 | A | 34.6 | Very low | 29.2 | Very low | 120 Ų | 120 | 97.6 Ų | 97.6 | 99% | 0.992 | 58% | 0.579 | S | S | * | * | S | Bend | trans | -74.6 | 63.2 | 174.8 | 0 | 0 | 0 | 0 | 0 | 111.8 | | |
| 174 | G | 33.7 | Very low | 29.5 | Very low | 67 Ų | 67 | 94.8 Ų | 94.8 | 69% | 0.691 | 57% | 0.566 | S | S | * | * | S | Bend | trans | -177.2 | 39.5 | -169 | 0 | 0 | 0 | 0 | 0 | 115.9 | S172 G176 | S172-G174 PolarHBondContact O-N 3.49Å; G174-G176 VanDerWaalsContact C-N 3.27Å; G174-G176 PolarHBondContact O-N 3.43Å |
| 175 | G | 32 | Very low | 29.4 | Very low | 94 Ų | 94 | 97.7 Ų | 97.7 | 97% | 0.969 | 58% | 0.582 | S | S | * | * | S | Bend | trans | 68.9 | 8.5 | 163.3 | 0 | 0 | 0 | 0 | 0 | 117.8 | | |
| 176 | G | 26.6 | Very low | 29.5 | Very low | 38 Ų | 38 | 99.2 Ų | 99.2 | 39% | 0.392 | 59% | 0.587 | S | S | . | * | | | trans | -143.4 | 137.3 | 177.8 | 0 | 0 | 0 | 0 | 0 | 112.4 | G174 | G174-G176 VanDerWaalsContact C-N 3.27Å; G174-G176 PolarHBondContact O-N 3.43Å |
| 177 | V | 28.5 | Very low | 29.5 | Very low | 82 Ų | 82 | 97.9 Ų | 97.9 | 50% | 0.497 | 59% | 0.586 | S | S | . | * | | | trans | -85.7 | 129.2 | 172.1 | 179 | 0 | 0 | 0 | 0 | 108.6 | Y179 | V177-Y179 HydrophobicContact CG1-CD1 4.44Å; V177-Y179 HydrophobicContact CG1-CD2 4.41Å; V177-Y179 HydrophobicContact CG1-CE1 3.93Å; V177-Y179 HydrophobicContact CG1-CE2 3.9Å |
| 178 | Q | 26.2 | Very low | 29.6 | Very low | 132 Ų | 132 | 99 Ų | 99 | 62% | 0.617 | 60% | 0.603 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -110.4 | 135.3 | 173.3 | -70 | -69.1 | -16.2 | 0 | 0 | 109 | | |
| 179 | Y | 29.5 | Very low | 29.4 | Very low | 138 Ų | 138 | 100.7 Ų | 100.7 | 54% | 0.541 | 62% | 0.616 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -111.9 | 124.9 | 177.9 | -65.5 | -71.5 | 0 | 0 | 0 | 109.7 | V167 N169 V177 | V167-Y179 HydrophobicContact CG1-CD1 3.62Å; V167-Y179 HydrophobicContact CG1-CE1 4.41Å; V167-Y179 HydrophobicContact CG1-CG 4.14Å; N169-Y179 HydrophobicContact CB-CE1 4.46Å; V177-Y179 HydrophobicContact CG1-CD1 4.44Å; V177-Y179 HydrophobicContact CG1-CD2 4.41Å; V177-Y179 HydrophobicContact CG1-CE1 3.93Å; V177-Y179 HydrophobicContact CG1-CE2 3.9Å |
| 180 | Q | 28 | Very low | 29.5 | Very low | 122 Ų | 122 | 98.9 Ų | 98.9 | 57% | 0.57 | 62% | 0.62 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -103.5 | 131.3 | 174.5 | -167.2 | 169.7 | 6.6 | 0 | 0 | 110.1 | | |
| 181 | V | 28.3 | Very low | 29.5 | Very low | 90 Ų | 90 | 102 Ų | 102 | 55% | 0.545 | 63% | 0.632 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -94.8 | 122.1 | 175.4 | 169.8 | 0 | 0 | 0 | 0 | 108.6 | I165 | I165-V181 HydrophobicContact CG2-CG1 4.11Å |
| 182 | I | 28.7 | Very low | 29.3 | Very low | 74 Ų | 74 | 103 Ų | 103 | 38% | 0.379 | 63% | 0.626 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -109.7 | 113 | 177.2 | -61.8 | 166.3 | 0 | 0 | 0 | 108.7 | | |
| 183 | P | 26.6 | Very low | 29 | Very low | 92 Ų | 92 | 105.4 Ų | 105.4 | 60% | 0.597 | 63% | 0.632 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -82.9 | 119.5 | 174.8 | 31.5 | -31.4 | 0 | 0 | 0 | 110.7 | | |
| 184 | H | 31.8 | Very low | 28.7 | Very low | 88 Ų | 88 | 108 Ų | 108 | 41% | 0.407 | 62% | 0.623 | S | S | . | * | P | Polyproline II helix | trans | -87.7 | 131.4 | 169.2 | -70.7 | -86.6 | 0 | 0 | 0 | 110.9 | | |
| 185 | L | 25.9 | Very low | 28.2 | Very low | 155 Ų | 155 | 111.4 Ų | 111.4 | 81% | 0.812 | 62% | 0.624 | S | S | * | * | P | Polyproline II helix | trans | -99.6 | 128.3 | 169.9 | -71.6 | 166.6 | 0 | 0 | 0 | 109.3 | | |
| 186 | Q | 28.7 | Very low | 27.7 | Very low | 121 Ų | 121 | 113.1 Ų | 113.1 | 57% | 0.565 | 61% | 0.611 | S | S | * | * | | | trans | -107.6 | 137.2 | 165.8 | -72.2 | -177.3 | -10 | 0 | 0 | 109.1 | | |
| 187 | T | 30 | Very low | 27.6 | Very low | 80 Ų | 80 | 116.5 Ų | 116.5 | 49% | 0.491 | 63% | 0.626 | S | S | . | * | | | trans | -83.6 | 160.6 | 167.2 | 51.9 | 0 | 0 | 0 | 0 | 110.4 | D189 G190 | T187-D189 PolarHBondContact O-N 3.08Å; T187-D189 VanDerWaalsContact O-N 3.07Å; T187-G190 PolarHBondContact O-N 3.01Å |
| 188 | A | 28.8 | Very low | 27.3 | Very low | 105 Ų | 105 | 120.3 Ų | 120.3 | 87% | 0.868 | 64% | 0.639 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -61 | -20.9 | -173.3 | 0 | 0 | 0 | 0 | 0 | 114.2 | G190 | A188-G190 VanDerWaalsContact C-N 3.32Å; A188-G190 PolarHBondContact O-N 2.87Å |
| 189 | D | 28.5 | Very low | 27.2 | Very low | 143 Ų | 143 | 119.9 Ų | 119.9 | 77% | 0.765 | 65% | 0.648 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -88.7 | 6.9 | -176.4 | -44.1 | -74.2 | 0 | 0 | 0 | 113.7 | T187 Q191 | T187-D189 PolarHBondContact O-N 3.08Å; T187-D189 VanDerWaalsContact O-N 3.07Å; D189-Q191 PolarHBondContact O-N 2.87Å |
| 190 | G | 31.7 | Very low | 26.8 | Very low | 56 Ų | 56 | 118 Ų | 118 | 58% | 0.577 | 66% | 0.661 | S | S | * | * | | | trans | 78.6 | 6 | 166.4 | 0 | 0 | 0 | 0 | 0 | 116.9 | T187 A188 | T187-G190 PolarHBondContact O-N 3.01Å; A188-G190 VanDerWaalsContact C-N 3.32Å; A188-G190 PolarHBondContact O-N 2.87Å |
| 191 | Q | 29.6 | Very low | 26.6 | Very low | 153 Ų | 153 | 117.8 Ų | 117.8 | 72% | 0.715 | 67% | 0.673 | S | S | * | * | | | trans | -78.4 | 129.5 | 173.3 | -67.4 | -162.7 | 1.3 | 0 | 0 | 111.8 | D189 | D189-Q191 PolarHBondContact O-N 2.87Š|
| 192 | Q | 27.5 | Very low | 26.6 | Very low | 146 Ų | 146 | 122.4 Ų | 122.4 | 68% | 0.682 | 69% | 0.692 | S | S | * | * | | | trans | -87.8 | 120.1 | 175.2 | -63.8 | -177.4 | -0.1 | 0 | 0 | 110.4 | H194 | Q192-H194 PolarHBondContact O-N 2.87Š|
| 193 | I | 24.8 | Very low | 26.4 | Very low | 118 Ų | 118 | 122.3 Ų | 122.3 | 61% | 0.605 | 71% | 0.709 | S | S | * | * | | | trans | -82.7 | 102.5 | 172.4 | -57.3 | 176.6 | 0 | 0 | 0 | 108.6 | I195 | I193-I195 HydrophobicContact CG2-CG1 4.42Å; I193-I195 PolarHBondContact O-N 2.95Å |
| 194 | H | 26.8 | Very low | 26.3 | Very low | 174 Ų | 174 | 122.9 Ų | 122.9 | 81% | 0.806 | 72% | 0.722 | S | S | * | * | | | trans | -71.6 | 111.8 | 169.7 | -105.4 | 133 | 0 | 0 | 0 | 110.1 | Q192 | Q192-H194 PolarHBondContact O-N 2.87Š|
| 195 | I | 24.1 | Very low | 25.8 | Very low | 139 Ų | 139 | 126.9 Ų | 126.9 | 71% | 0.713 | 75% | 0.745 | S | S | * | * | | | trans | -91.9 | 113.4 | 165.4 | -56.4 | 177.3 | 0 | 0 | 0 | 107 | I193 P197 | I193-I195 HydrophobicContact CG2-CG1 4.42Å; I193-I195 PolarHBondContact O-N 2.95Å; I195-P197 WeakPolarHBondContact O-CD 3.48Å |
| 196 | N | 21.4 | Very low | 26 | Very low | 130 Ų | 130 | 123.8 Ų | 123.8 | 70% | 0.695 | 74% | 0.735 | S | S | * | * | | | trans | -99.6 | 109.8 | -176.9 | -177.3 | 24.9 | 0 | 0 | 0 | 111 | Q198 | N196-Q198 PolarHBondContact O-N 3.06Š|
| 197 | P | 24.4 | Very low | 25.7 | Very low | 109 Ų | 109 | 126.2 Ų | 126.2 | 71% | 0.708 | 75% | 0.746 | S | S | * | * | | | trans | -79.8 | 107.8 | 179.6 | 31.2 | -32.9 | 0 | 0 | 0 | 111.7 | I195 | I195-P197 WeakPolarHBondContact O-CD 3.48Š|
| 198 | Q | 21.3 | Very low | 25.4 | Very low | 162 Ų | 162 | 130.3 Ų | 130.3 | 76% | 0.757 | 76% | 0.759 | S | S | * | * | | | trans | -76.2 | 132.8 | 162.4 | -81.7 | -80.6 | -75.9 | 0 | 0 | 109.9 | N196 A200 | N196-Q198 PolarHBondContact O-N 3.06Å; Q198-A200 PolarHBondContact O-N 3.45Å |
| 199 | P | 24.6 | Very low | 25.1 | Very low | 123 Ų | 123 | 130.8 Ų | 130.8 | 80% | 0.799 | 75% | 0.751 | S | S | * | * | | | trans | -78.4 | 119 | 177.8 | 30.6 | -32.8 | 0 | 0 | 0 | 111.1 | | |
| 200 | A | 22 | Very low | 24.9 | Very low | 99 Ų | 99 | 133.2 Ų | 133.2 | 82% | 0.818 | 76% | 0.758 | S | S | * | * | | | trans | -120.8 | 134.1 | 175.6 | 0 | 0 | 0 | 0 | 0 | 111.2 | Q198 | Q198-A200 PolarHBondContact O-N 3.45Š|
| 201 | S | 24.2 | Very low | 24.4 | Very low | 117 Ų | 117 | 137.3 Ų | 137.3 | 82% | 0.818 | 77% | 0.766 | S | S | * | * | | | trans | -81.5 | 163.9 | -176.1 | -59.3 | 0 | 0 | 0 | 0 | 113.3 | G203 | S201-G203 PolarHBondContact O-N 3.04Å; S201-G203 VanDerWaalsContact O-N 3.15Å |
| 202 | I | 27.9 | Very low | 24.1 | Very low | 187 Ų | 187 | 137.6 Ų | 137.6 | 96% | 0.959 | 77% | 0.771 | S | S | * | * | S | Bend | trans | -37.3 | 110.4 | 175.8 | -58.2 | 165.9 | 0 | 0 | 0 | 113.1 | | |
| 203 | G | 24.6 | Very low | 23.9 | Very low | 72 Ų | 72 | 139 Ų | 139 | 74% | 0.742 | 78% | 0.777 | S | S | * | * | | | trans | 150.9 | 108 | 173.3 | 0 | 0 | 0 | 0 | 0 | 111.8 | S201 | S201-G203 PolarHBondContact O-N 3.04Å; S201-G203 VanDerWaalsContact O-N 3.15Å |
| 204 | A | 24.5 | Very low | 23.9 | Very low | 103 Ų | 103 | 138.8 Ų | 138.8 | 85% | 0.851 | 78% | 0.782 | S | S | * | * | | | trans | -111.6 | 122.6 | -165 | 0 | 0 | 0 | 0 | 0 | 114.9 | | |
| 205 | L | 20 | Very low | 24 | Very low | 172 Ų | 172 | 136.3 Ų | 136.3 | 90% | 0.901 | 78% | 0.781 | S | S | * | * | | | trans | -135.2 | 148.9 | 149.3 | -96.5 | 167.9 | 0 | 0 | 0 | 107.4 | | |
| 206 | P | 29.9 | Very low | 24.1 | Very low | 91 Ų | 91 | 137 Ų | 137 | 59% | 0.591 | 79% | 0.786 | S | S | * | * | | | trans | -106.6 | 147.9 | -156.2 | 38.5 | -35.1 | 0 | 0 | 0 | 116.6 | | |
| 207 | E | 23.2 | Very low | 24.4 | Very low | 172 Ų | 172 | 136.3 Ų | 136.3 | 80% | 0.804 | 79% | 0.791 | S | S | * | * | | | trans | -152.5 | 145.4 | 158.9 | -108.2 | -162.2 | 95.9 | 0 | 0 | 106 | | |
| 208 | Q | 24.1 | Very low | 24.7 | Very low | 166 Ų | 166 | 135.3 Ų | 135.3 | 78% | 0.776 | 80% | 0.801 | S | S | * | * | | | cis | -137.4 | 168.5 | 13.2 | -59.6 | -174.2 | -40.7 | 0 | 0 | 111.7 | | |
| 209 | V | 22.7 | Very low | 25 | Very low | 115 Ų | 115 | 135 Ų | 135 | 70% | 0.697 | 80% | 0.799 | S | S | * | * | | | trans | -117.3 | 130.2 | 175.5 | 175.7 | 0 | 0 | 0 | 0 | 110.1 | | |
| 210 | Q | 24.1 | Very low | 25.2 | Very low | 194 Ų | 194 | 133 Ų | 133 | 91% | 0.907 | 79% | 0.794 | S | S | * | * | | | trans | -87.4 | 115.2 | 168.8 | -76.3 | -170 | -8.5 | 0 | 0 | 111 | | |
| 211 | L | 21.6 | Very low | 25.4 | Very low | 141 Ų | 141 | 135.3 Ų | 135.3 | 74% | 0.738 | 79% | 0.787 | S | S | * | * | | | trans | -91 | 126 | 164.7 | -73.9 | 108.8 | 0 | 0 | 0 | 110.1 | Q213 | L211-Q213 PolarHBondContact O-N 3.05Š|
| 212 | I | 23.5 | Very low | 25.6 | Very low | 159 Ų | 159 | 132.2 Ų | 132.2 | 82% | 0.815 | 77% | 0.769 | S | S | * | * | | | trans | -85.5 | 108.7 | 165.1 | -59 | 176.8 | 0 | 0 | 0 | 107.6 | | |
| 213 | Q | 22.8 | Very low | 25.6 | Very low | 175 Ų | 175 | 130 Ų | 130 | 82% | 0.818 | 76% | 0.758 | S | S | * | * | | | trans | -89.4 | 114.2 | 169.1 | -68.4 | -174.3 | -2.5 | 0 | 0 | 109.7 | L211 | L211-Q213 PolarHBondContact O-N 3.05Š|
| 214 | T | 24 | Very low | 25.8 | Very low | 115 Ų | 115 | 133 Ų | 133 | 71% | 0.706 | 76% | 0.756 | S | S | * | * | | | trans | -84 | 138.3 | 161.1 | 43.9 | 0 | 0 | 0 | 0 | 109.5 | | |
| 215 | P | 29.2 | Very low | 25.8 | Very low | 122 Ų | 122 | 136 Ų | 136 | 79% | 0.792 | 75% | 0.752 | S | S | * | * | S | Bend | trans | -73.2 | 133.4 | 179.6 | 28 | -33 | 0 | 0 | 0 | 111.8 | | |
| 216 | N | 27.1 | Very low | 26.2 | Very low | 152 Ų | 152 | 133.5 Ų | 133.5 | 81% | 0.813 | 75% | 0.747 | S | S | * | * | S | Bend | trans | 75.4 | 142.9 | 178.4 | -70.5 | -35.9 | 0 | 0 | 0 | 119 | | |
| 217 | S | 26 | Very low | 25.9 | Very low | 116 Ų | 116 | 132.4 Ų | 132.4 | 81% | 0.811 | 75% | 0.745 | S | S | * | * | S | Bend | trans | 71.1 | 50.4 | 169.6 | 64.1 | 0 | 0 | 0 | 0 | 119.8 | Q219 | S217-Q219 VanDerWaalsContact C-N 3.33Å; S217-Q219 PolarHBondContact O-N 3.24Å |
| 218 | G | 31.4 | Very low | 26.3 | Very low | 88 Ų | 88 | 132.8 Ų | 132.8 | 91% | 0.907 | 75% | 0.753 | S | S | * | * | S | Bend | | 70.2 | -0 | 126.9 | 0 | 0 | 0 | 0 | 0 | 120.9 | | |
| 219 | Q | 27.8 | Very low | 26.6 | Very low | 155 Ų | 155 | 133 Ų | 133 | 72% | 0.724 | 75% | 0.754 | S | S | * | * | | | trans | -132.2 | 117.9 | 172.7 | -68.1 | -169.2 | -2.6 | 0 | 0 | 111.5 | S217 | S217-Q219 VanDerWaalsContact C-N 3.33Å; S217-Q219 PolarHBondContact O-N 3.24Å |
| 220 | A | 28.2 | Very low | 26.9 | Very low | 82 Ų | 82 | 134.7 Ų | 134.7 | 68% | 0.678 | 75% | 0.754 | S | S | * | * | P | Polyproline II helix | trans | -86.5 | 118.3 | 171.6 | 0 | 0 | 0 | 0 | 0 | 109.9 | | |
| 221 | Q | 26.3 | Very low | 27.2 | Very low | 147 Ų | 147 | 127.9 Ų | 127.9 | 69% | 0.687 | 73% | 0.731 | S | S | * | * | P | Polyproline II helix | trans | -102.6 | 125.2 | 173.3 | -67 | -175.9 | -3.7 | 0 | 0 | 110.1 | | |
| 222 | A | 29.3 | Very low | 27.6 | Very low | 53 Ų | 53 | 125.4 Ų | 125.4 | 44% | 0.438 | 72% | 0.717 | S | S | . | * | B | Isolated β-bridge | trans | -99.7 | 119.5 | 173.1 | 0 | 0 | 0 | 0 | 0 | 110.1 | | |
| 223 | I | 27 | Very low | 27.9 | Very low | 140 Ų | 140 | 121.9 Ų | 121.9 | 72% | 0.718 | 70% | 0.7 | S | S | * | * | | | trans | -109.9 | 111.4 | 177.9 | -56.8 | 176.7 | 0 | 0 | 0 | 108.6 | | |
| 224 | L | 28.4 | Very low | 28.1 | Very low | 134 Ų | 134 | 118.4 Ų | 118.4 | 70% | 0.702 | 69% | 0.692 | S | S | * | * | | | trans | -85 | 135.4 | 177.3 | -72.6 | 161.8 | 0 | 0 | 0 | 110.9 | | |
| 225 | Q | 26.3 | Very low | 28.4 | Very low | 166 Ų | 166 | 118 Ų | 118 | 78% | 0.776 | 69% | 0.694 | S | S | * | * | | | trans | -104.8 | 149.8 | 173.2 | -67.5 | -166.2 | 27.5 | 0 | 0 | 111.3 | A227 | Q225-A227 PolarHBondContact O-N 3.32Š|
| 226 | P | 27.1 | Very low | 28.3 | Very low | 121 Ų | 121 | 117.6 Ų | 117.6 | 79% | 0.786 | 69% | 0.69 | S | S | * | * | S | Bend | trans | -84.2 | 85.4 | -164.7 | 33.4 | -36.6 | 0 | 0 | 0 | 113.6 | | |
| 227 | A | 24.7 | Very low | 28.3 | Very low | 68 Ų | 68 | 114.7 Ų | 114.7 | 56% | 0.562 | 69% | 0.687 | S | S | * | * | S | Bend | trans | -151.9 | 105.8 | 161.7 | 0 | 0 | 0 | 0 | 0 | 111.3 | Q225 Q229 | Q225-A227 PolarHBondContact O-N 3.32Å; A227-Q229 WeakPolarHBondContact O-CG 3.34Å; A227-Q229 PolarHBondContact O-N 2.71Å; A227-Q229 VanDerWaalsContact O-N 3.07Å; A227-Q229 PolarHBondContact O-NE2 3.04Å |
| 228 | N | 31.6 | Very low | 28.6 | Very low | 180 Ų | 180 | 117.1 Ų | 117.1 | 96% | 0.963 | 69% | 0.691 | S | S | * | * | S | Bend | trans | 14.2 | 73.9 | 167.7 | -71.2 | -8 | 0 | 0 | 0 | 117.3 | | |
| 229 | Q | 29.3 | Very low | 28.4 | Very low | 171 Ų | 171 | 120.8 Ų | 120.8 | 80% | 0.799 | 68% | 0.684 | S | S | * | * | | | trans | -132.5 | 138.7 | 173.9 | -80.7 | 169.2 | 93.6 | 0 | 0 | 111.6 | A227 | A227-Q229 WeakPolarHBondContact O-CG 3.34Å; A227-Q229 PolarHBondContact O-N 2.71Å; A227-Q229 VanDerWaalsContact O-N 3.07Å; A227-Q229 PolarHBondContact O-NE2 3.04Å |
| 230 | Q | 30.1 | Very low | 28.4 | Very low | 150 Ų | 150 | 118.8 Ų | 118.8 | 70% | 0.701 | 68% | 0.683 | S | S | * | * | | | trans | -87.7 | 131.5 | 174.8 | -66.4 | 174.6 | -20.8 | 0 | 0 | 109.4 | | |
| 231 | A | 29.4 | Very low | 28.6 | Very low | 51 Ų | 51 | 118.4 Ų | 118.4 | 42% | 0.421 | 67% | 0.672 | S | S | . | * | | | trans | -91.6 | 112.1 | 177.4 | 0 | 0 | 0 | 0 | 0 | 110.9 | | |
| 232 | I | 29.4 | Very low | 28.8 | Very low | 88 Ų | 88 | 114.8 Ų | 114.8 | 45% | 0.451 | 66% | 0.661 | S | S | . | * | | | trans | -98.1 | 123.5 | 172.4 | -57.4 | 176.3 | 0 | 0 | 0 | 108.4 | | |
| 233 | L | 30.1 | Very low | 28.9 | Very low | 85 Ų | 85 | 115 Ų | 115 | 45% | 0.445 | 66% | 0.655 | S | S | . | * | | | trans | -104.8 | 110.4 | -178.7 | -75.8 | 165.3 | 0 | 0 | 0 | 110.7 | S235 L255 | L233-S235 PolarHBondContact O-N 3.2Å; L233-L255 HydrophobicContact CD1-CD2 3.95Å |
| 234 | P | 28 | Very low | 29.1 | Very low | 102 Ų | 102 | 116 Ų | 116 | 66% | 0.662 | 66% | 0.656 | S | S | * | * | | | trans | -73.5 | 98.4 | 177.1 | 29.2 | -33.3 | 0 | 0 | 0 | 110.8 | T236 | P234-T236 PolarHBondContact O-N 3.25Š|
| 235 | S | 29.3 | Very low | 29.3 | Very low | 106 Ų | 106 | 113 Ų | 113 | 74% | 0.741 | 64% | 0.641 | S | S | * | * | | | trans | -71.7 | 91 | 179.7 | 170.1 | 0 | 0 | 0 | 0 | 112.7 | L233 | L233-S235 PolarHBondContact O-N 3.2Š|
| 236 | T | 26.9 | Very low | 29.5 | Very low | 115 Ų | 115 | 115.8 Ų | 115.8 | 71% | 0.706 | 64% | 0.644 | S | S | * | * | | | trans | -99.5 | 151.8 | 153.5 | 51.6 | 0 | 0 | 0 | 0 | 110.1 | P234 | P234-T236 PolarHBondContact O-N 3.25Š|
| 237 | A | 28.5 | Very low | 29.5 | Very low | 91 Ų | 91 | 116.5 Ų | 116.5 | 75% | 0.752 | 65% | 0.648 | S | S | * | * | S | Bend | trans | -67.6 | 143.9 | -159.6 | 0 | 0 | 0 | 0 | 0 | 114.9 | | |
| 238 | N | 30.5 | Very low | 29.6 | Very low | 166 Ų | 166 | 116.7 Ų | 116.7 | 89% | 0.888 | 65% | 0.65 | S | S | * | * | S | Bend | trans | 54.9 | 60.1 | 168.7 | -67.1 | -2.8 | 0 | 0 | 0 | 116.4 | | |
| 239 | Q | 28.5 | Very low | 29.5 | Very low | 165 Ų | 165 | 116.2 Ų | 116.2 | 77% | 0.771 | 64% | 0.642 | S | S | * | * | | | trans | -128.6 | 136.3 | 158 | -64.1 | -166.4 | 20.9 | 0 | 0 | 111.7 | | |
| 240 | T | 28 | Very low | 29.4 | Very low | 113 Ų | 113 | 112.7 Ų | 112.7 | 69% | 0.693 | 63% | 0.632 | S | S | * | * | | | trans | -103.3 | 106.9 | -179.5 | -44.7 | 0 | 0 | 0 | 0 | 109.3 | P270 | T240-P270 HydrophobicContact CG2-CG 3.61Š|
| 241 | V | 32.2 | Very low | 29.4 | Very low | 75 Ų | 75 | 110.8 Ų | 110.8 | 46% | 0.455 | 62% | 0.622 | S | S | . | * | | | trans | -103.2 | 114.5 | -177.5 | -177.6 | 0 | 0 | 0 | 0 | 110.2 | L243 | V241-L243 PolarHBondContact O-N 2.8Š|
| 242 | P | 29.8 | Very low | 29.3 | Very low | 70 Ų | 70 | 113 Ų | 113 | 46% | 0.455 | 63% | 0.632 | S | S | . | * | P | Polyproline II helix | trans | -77.9 | 119.9 | 177.2 | 30.6 | -32.5 | 0 | 0 | 0 | 111.1 | | |
| 243 | L | 31.4 | Very low | 29.4 | Very low | 59 Ų | 59 | 111.4 Ų | 111.4 | 31% | 0.309 | 62% | 0.624 | S | S | . | * | B | Isolated β-bridge | trans | -97.8 | 125.2 | 172.9 | -64.3 | 173.4 | 0 | 0 | 0 | 110.2 | V241 | V241-L243 PolarHBondContact O-N 2.8Å |
| 244 | Q | 31.3 | Very low | 29.4 | Very low | 160 Ų | 160 | 111.8 Ų | 111.8 | 75% | 0.748 | 62% | 0.623 | S | S | * | * | B | Isolated β-bridge | trans | -96.8 | 128.1 | 165.5 | -90.4 | -163.8 | -1.6 | 0 | 0 | 110.3 | | |
| 245 | I | 33.8 | Very low | 29.6 | Very low | 72 Ų | 72 | 110.9 Ų | 110.9 | 37% | 0.369 | 61% | 0.612 | S | S | . | * | | | trans | -119.5 | 129 | 174 | -56.4 | 176 | 0 | 0 | 0 | 107.7 | | |
| 246 | R | 28.6 | Very low | 29.6 | Very low | 223 Ų | 223 | 111.5 Ų | 111.5 | 84% | 0.842 | 60% | 0.604 | S | S | * | * | | | trans | -78.8 | 142.7 | 175.1 | -73.9 | -175.9 | 174.8 | -179.9 | -1.5 | 110.2 | A248 | R246-A248 VanDerWaalsContact C-N 3.33Å; R246-A248 PolarHBondContact O-N 3.37Å |
| 247 | P | 28.5 | Very low | 29.8 | Very low | 136 Ų | 136 | 110.3 Ų | 110.3 | 88% | 0.883 | 60% | 0.596 | S | S | * | * | S | Bend | trans | -78.1 | 75.7 | -172.4 | 32.4 | -36.8 | 0 | 0 | 0 | 112.8 | | |
| 248 | A | 27.3 | Very low | 29.8 | Very low | 72 Ų | 72 | 112.7 Ų | 112.7 | 60% | 0.595 | 60% | 0.596 | S | S | * | * | S | Bend | trans | -156.3 | 125.9 | 162.3 | 0 | 0 | 0 | 0 | 0 | 111.1 | R246 | R246-A248 VanDerWaalsContact C-N 3.33Å; R246-A248 PolarHBondContact O-N 3.37Å |
| 249 | Q | 28.5 | Very low | 29.8 | Very low | 171 Ų | 171 | 114.5 Ų | 114.5 | 80% | 0.799 | 60% | 0.599 | S | S | * | * | S | Bend | trans | 72.6 | 152.1 | 176.4 | -51.6 | -172.9 | -2.1 | 0 | 0 | 116.9 | F251 | Q249-F251 HydrophobicContact CB-CE2 4.48Å; Q249-F251 HydrophobicContact CB-CZ 4.31Å; Q249-F251 WeakPolarHBondContact O-CD2 3.31Å; Q249-F251 VanDerWaalsContact O-CE2 3.31Å; Q249-F251 WeakPolarHBondContact O-CE2 3.42Å |
| 250 | T | 28.3 | Very low | 29.9 | Very low | 97 Ų | 97 | 110.4 Ų | 110.4 | 60% | 0.595 | 60% | 0.601 | S | S | * | * | | | trans | -98.9 | 135.2 | -171.9 | -29.9 | 0 | 0 | 0 | 0 | 110.5 | | |
| 251 | F | 29.3 | Very low | 29.9 | Very low | 109 Ų | 109 | 109.3 Ų | 109.3 | 48% | 0.478 | 60% | 0.598 | S | S | . | * | | | trans | -126.3 | 133 | -176.2 | -59.5 | -80.6 | 0 | 0 | 0 | 112.4 | Q249 | Q249-F251 HydrophobicContact CB-CE2 4.48Å; Q249-F251 HydrophobicContact CB-CZ 4.31Å; Q249-F251 WeakPolarHBondContact O-CD2 3.31Å; Q249-F251 VanDerWaalsContact O-CE2 3.31Å; Q249-F251 WeakPolarHBondContact O-CE2 3.42Å |
| 252 | P | 27.6 | Very low | 29.8 | Very low | 97 Ų | 97 | 113.7 Ų | 113.7 | 63% | 0.63 | 61% | 0.613 | S | S | * | * | | | trans | -78.4 | 120.7 | 171.7 | 31.1 | -31.9 | 0 | 0 | 0 | 110.7 | | |
| 253 | I | 31.5 | Very low | 29.7 | Very low | 55 Ų | 55 | 114.7 Ų | 114.7 | 28% | 0.282 | 62% | 0.618 | S | S | . | * | | | trans | -97 | 132.4 | 173.5 | -57.2 | 178.9 | 0 | 0 | 0 | 108.3 | L255 L294 | I253-L255 HydrophobicContact CG2-CG 4.46Å; I253-L294 HydrophobicContact CD1-CD1 4.23Å |
| 254 | Q | 30.5 | Very low | 29.6 | Very low | 93 Ų | 93 | 117 Ų | 117 | 44% | 0.435 | 64% | 0.637 | S | S | . | * | | | trans | -113.4 | 108.8 | 170.1 | -74.2 | -162.1 | -11.5 | 0 | 0 | 110.4 | Q256 A291 | Q254-Q256 PolarHBondContact O-N 3.34Å; Q254-A291 HydrophobicContact CG-CB 4.32Å |
| 255 | L | 31.8 | Very low | 29.6 | Very low | 83 Ų | 83 | 113.2 Ų | 113.2 | 44% | 0.435 | 62% | 0.624 | S | S | . | * | | | trans | -83.2 | 108.2 | 172.1 | -72.8 | 162.7 | 0 | 0 | 0 | 108.9 | L233 I253 | L233-L255 HydrophobicContact CD1-CD2 3.95Å; I253-L255 HydrophobicContact CG2-CG 4.46Å |
| 256 | Q | 29.4 | Very low | 29.2 | Very low | 120 Ų | 120 | 116.3 Ų | 116.3 | 56% | 0.561 | 64% | 0.639 | S | S | * | * | | | trans | -100 | 110.7 | -179.4 | -139.5 | 172.5 | 31.5 | 0 | 0 | 110 | Q254 | Q254-Q256 PolarHBondContact O-N 3.34Š|
| 257 | T | 31.7 | Very low | 29.4 | Very low | 90 Ų | 90 | 109.2 Ų | 109.2 | 55% | 0.552 | 62% | 0.62 | S | S | * | * | | | trans | -82.3 | 122.3 | 179.3 | 46.6 | 0 | 0 | 0 | 0 | 110.7 | Q259 | T257-Q259 PolarHBondContact O-N 2.98Š|
| 258 | L | 28.4 | Very low | 29.4 | Very low | 140 Ų | 140 | 107.1 Ų | 107.1 | 73% | 0.733 | 61% | 0.605 | S | S | * | * | | | trans | -65.2 | 131.8 | 168.6 | -82.6 | 80.7 | 0 | 0 | 0 | 109.2 | G260 | L258-G260 PolarHBondContact O-N 3.44Š|
| 259 | Q | 29.3 | Very low | 29.6 | Very low | 205 Ų | 205 | 106.4 Ų | 106.4 | 96% | 0.958 | 59% | 0.593 | S | S | * | * | S | Bend | trans | -70.8 | 109.8 | -179.5 | -65.9 | -179.5 | -14.5 | 0 | 0 | 110 | T257 | T257-Q259 PolarHBondContact O-N 2.98Š|
| 260 | G | 30.9 | Very low | 29.7 | Very low | 79 Ų | 79 | 100 Ų | 100 | 81% | 0.814 | 57% | 0.567 | S | S | * | * | | | trans | -178.4 | 13.5 | -175.2 | 0 | 0 | 0 | 0 | 0 | 119.2 | L258 | L258-G260 PolarHBondContact O-N 3.44Š|
| 261 | S | 28.8 | Very low | 30.2 | Very low | 90 Ų | 90 | 96.7 Ų | 96.7 | 63% | 0.629 | 55% | 0.545 | S | S | * | . | | | trans | -151 | 146.3 | 169 | -170.5 | 0 | 0 | 0 | 0 | 112.5 | T263 | S261-T263 PolarHBondContact OG-N 3.43Å; S261-T263 PolarHBondContact OG-OG1 2.98Å |
| 262 | Q | 29.5 | Very low | 30.3 | Very low | 167 Ų | 167 | 94.2 Ų | 94.2 | 78% | 0.78 | 54% | 0.537 | S | S | * | . | | | trans | -105.9 | 14.1 | 177.6 | -74.3 | -75.4 | -3.6 | 0 | 0 | 112.6 | | |
| 263 | T | 28.1 | Very low | 30.8 | Very low | 91 Ų | 91 | 91.6 Ų | 91.6 | 56% | 0.558 | 52% | 0.517 | S | S | * | . | S | Bend | trans | -106.8 | 131.1 | 177.7 | 54.4 | 0 | 0 | 0 | 0 | 111.5 | S261 V265 | S261-T263 PolarHBondContact OG-N 3.43Å; S261-T263 PolarHBondContact OG-OG1 2.98Å; T263-V265 PolarHBondContact O-N 2.95Å |
| 264 | P | 29.7 | Very low | 30.8 | Very low | 107 Ų | 107 | 93.5 Ų | 93.5 | 70% | 0.695 | 55% | 0.551 | S | S | * | * | | | trans | -73.7 | 94.2 | 175.8 | 29.7 | -33.6 | 0 | 0 | 0 | 110.2 | | |
| 265 | V | 29.4 | Very low | 31 | Very low | 81 Ų | 81 | 92.6 Ų | 92.6 | 49% | 0.491 | 57% | 0.566 | S | S | . | * | | | trans | -82.6 | 120.9 | 171.4 | -178.2 | 0 | 0 | 0 | 0 | 108.8 | T263 T267 | T263-V265 PolarHBondContact O-N 2.95Å; V265-T267 PolarHBondContact O-N 3.05Å |
| 266 | M | 26.2 | Very low | 30.9 | Very low | 137 Ų | 137 | 95.1 Ų | 95.1 | 68% | 0.675 | 58% | 0.577 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -79.4 | 105.4 | 167.4 | -124.9 | -158.1 | -60.8 | 0 | 0 | 108.5 | P281 I283 | M266-P281 HydrophobicContact SD-CB 3.99Å; M266-I283 HydrophobicContact CG-CG1 4.4Å |
| 267 | T | 32 | Very low | 31.1 | Very low | 73 Ų | 73 | 93.4 Ų | 93.4 | 45% | 0.448 | 58% | 0.575 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -99.8 | 118.5 | 175.2 | -56.9 | 0 | 0 | 0 | 0 | 109.2 | V265 V269 V282 | V265-T267 PolarHBondContact O-N 3.05Å; T267-V269 HydrophobicContact CG2-CG2 4.38Å; T267-V282 PolarHBondContact N-O 3.46Å; T267-V282 PolarHBondContact O-N 3.15Å |
| 268 | T | 28.6 | Very low | 31.2 | Very low | 92 Ų | 92 | 92.7 Ų | 92.7 | 56% | 0.564 | 57% | 0.568 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -90.5 | 116.8 | 173.4 | 0.3 | 0 | 0 | 0 | 0 | 110.5 | P270 A279 L280 | T268-P270 WeakPolarHBondContact O-CD 3.48Å; T268-A279 HydrophobicContact CG2-CB 4.14Å; T268-L280 WeakPolarHBondContact CA-O 3.42Å |
| 269 | V | 32.6 | Very low | 31.3 | Very low | 57 Ų | 57 | 89.2 Ų | 89.2 | 35% | 0.345 | 56% | 0.559 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -100.1 | 116.8 | 176.6 | -177.6 | 0 | 0 | 0 | 0 | 109.8 | T267 I271 L278 L280 | T267-V269 HydrophobicContact CG2-CG2 4.38Å; V269-I271 HydrophobicContact CG1-CG1 4.26Å; V269-L278 VanDerWaalsContact O-O 3.13Å; V269-L280 PolarHBondContact N-O 3.07Å; V269-L280 VanDerWaalsContact N-O 3.08Å; V269-L280 PolarHBondContact O-N 3.03Å |
| 270 | P | 30.3 | Very low | 31.6 | Very low | 38 Ų | 38 | 81.5 Ų | 81.5 | 25% | 0.247 | 52% | 0.524 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.2 | 113 | 174.7 | 32 | -30.9 | 0 | 0 | 0 | 111.4 | T240 T268 T277 L278 | T240-P270 HydrophobicContact CG2-CG 3.61Å; T268-P270 WeakPolarHBondContact O-CD 3.48Å; P270-T277 HydrophobicContact CB-CG2 3.78Å; P270-L278 CarbonylContact C-O 3.55Å; P270-L278 VanDerWaalsContact CA-O 3.31Å; P270-L278 WeakPolarHBondContact CA-O 3.41Å |
| 271 | I | 39.1 | Very low | 31.6 | Very low | 26 Ų | 26 | 81.3 Ų | 81.3 | 13% | 0.133 | 51% | 0.508 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.1 | 130.7 | 174.7 | -45.9 | -179.2 | 0 | 0 | 0 | 108.9 | V269 L273 T277 L278 L280 L294 | V269-I271 HydrophobicContact CG1-CG1 4.26Å; I271-L273 HydrophobicContact CB-CD1 4.42Å; I271-L273 HydrophobicContact CG2-CD1 3.63Å; I271-T277 WeakPolarHBondContact O-CA 3.39Å; I271-L278 PolarHBondContact N-O 2.63Å; I271-L278 PolarHBondContact O-N 3.33Å; I271-L280 HydrophobicContact CD1-CD1 3.72Å; I271-L280 HydrophobicContact CG1-CD1 3.96Å; I271-L294 HydrophobicContact CD1-CD1 4.22Å |
| 272 | N | 31.8 | Very low | 32 | Very low | 58 Ų | 58 | 79.5 Ų | 79.5 | 31% | 0.31 | 49% | 0.493 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.8 | 117.7 | 179.1 | -101.8 | -79.4 | 0 | 0 | 0 | 112.1 | M276 T277 | N272-M276 WeakPolarHBondContact CA-O 3.46Å; N272-T277 VanDerWaalsContact CG-OG1 3.29Å; N272-T277 PolarHBondContact ND2-OG1 2.89Å; N272-T277 PolarHBondContact OD1-OG1 3.17Å |
| 273 | L | 37.4 | Very low | 32.2 | Very low | 41 Ų | 41 | 77.1 Ų | 77.1 | 22% | 0.215 | 49% | 0.485 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.6 | 123.2 | 170.5 | -64.9 | 99 | 0 | 0 | 0 | 109.7 | I271 G275 M276 F302 | I271-L273 HydrophobicContact CB-CD1 4.42Å; I271-L273 HydrophobicContact CG2-CD1 3.63Å; L273-G275 PolarHBondContact O-N 2.87Å; L273-M276 PolarHBondContact N-O 3.15Å; L273-M276 PolarHBondContact O-N 3.33Å; L273-F302 HydrophobicContact CD2-CE1 4.31Å; L273-F302 HydrophobicContact CD2-CZ 3.94Å |
| 274 | G | 31.4 | Very low | 32.6 | Very low | 96 Ų | 96 | 76.8 Ų | 76.8 | 99% | 0.99 | 48% | 0.48 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 58.7 | 21.6 | 170.9 | 0 | 0 | 0 | 0 | 0 | 116.3 | | |
| 275 | G | 33.8 | Very low | 32.6 | Very low | 73 Ų | 73 | 78.5 Ų | 78.5 | 75% | 0.753 | 48% | 0.483 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 96.3 | -3.1 | -175.6 | 0 | 0 | 0 | 0 | 0 | 115.1 | L273 | L273-G275 PolarHBondContact O-N 2.87Š|
| 276 | M | 31.2 | Very low | 32.7 | Very low | 136 Ų | 136 | 79.8 Ų | 79.8 | 67% | 0.67 | 49% | 0.491 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -97.9 | 127.9 | 171 | -67.1 | -173.4 | -71.7 | 0 | 0 | 111 | N272 L273 | N272-M276 WeakPolarHBondContact CA-O 3.46Å; L273-M276 PolarHBondContact N-O 3.15Å; L273-M276 PolarHBondContact O-N 3.33Å |
| 277 | T | 31.8 | Very low | 32.9 | Very low | 84 Ų | 84 | 78.2 Ų | 78.2 | 52% | 0.515 | 50% | 0.499 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.6 | 112.2 | 171.3 | -59.6 | 0 | 0 | 0 | 0 | 110 | P270 I271 N272 | P270-T277 HydrophobicContact CB-CG2 3.78Å; I271-T277 WeakPolarHBondContact O-CA 3.39Å; N272-T277 VanDerWaalsContact CG-OG1 3.29Å; N272-T277 PolarHBondContact ND2-OG1 2.89Å; N272-T277 PolarHBondContact OD1-OG1 3.17Å |
| 278 | L | 34.9 | Very low | 32.9 | Very low | 76 Ų | 76 | 78 Ų | 78 | 40% | 0.398 | 51% | 0.512 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.6 | 119.5 | 172.5 | -67.6 | 172.2 | 0 | 0 | 0 | 109.6 | V269 P270 I271 L280 F302 | V269-L278 VanDerWaalsContact O-O 3.13Å; P270-L278 CarbonylContact C-O 3.55Å; P270-L278 VanDerWaalsContact CA-O 3.31Å; P270-L278 WeakPolarHBondContact CA-O 3.41Å; I271-L278 PolarHBondContact N-O 2.63Å; I271-L278 PolarHBondContact O-N 3.33Å; L278-L280 HydrophobicContact CB-CD1 4.1Å; L278-F302 HydrophobicContact CD1-CD2 4.27Å |
| 279 | A | 31.1 | Very low | 33.1 | Very low | 67 Ų | 67 | 80.1 Ų | 80.1 | 55% | 0.554 | 53% | 0.531 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -101.2 | 105.6 | 176.5 | 0 | 0 | 0 | 0 | 0 | 110.4 | T268 | T268-A279 HydrophobicContact CG2-CB 4.14Å |
| 280 | L | 35.7 | Very low | 33.2 | Very low | 43 Ų | 43 | 79 Ų | 79 | 23% | 0.225 | 53% | 0.531 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.9 | 119.3 | -176.7 | -67.3 | 93.3 | 0 | 0 | 0 | 111.6 | T268 V269 I271 L278 V282 V304 | T268-L280 WeakPolarHBondContact CA-O 3.42Å; V269-L280 PolarHBondContact N-O 3.07Å; V269-L280 VanDerWaalsContact N-O 3.08Å; V269-L280 PolarHBondContact O-N 3.03Å; I271-L280 HydrophobicContact CD1-CD1 3.72Å; I271-L280 HydrophobicContact CG1-CD1 3.96Å; L278-L280 HydrophobicContact CB-CD1 4.1Å; L280-V282 PolarHBondContact O-N 3.26Å; L280-V304 HydrophobicContact CD2-CG2 3.71Å |
| 281 | P | 30.1 | Very low | 33.3 | Very low | 74 Ų | 74 | 79 Ų | 79 | 48% | 0.481 | 53% | 0.534 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.6 | 112.4 | 172.8 | 31 | -31.9 | 0 | 0 | 0 | 110.7 | M266 | M266-P281 HydrophobicContact SD-CB 3.99Å |
| 282 | V | 36.5 | Very low | 33.2 | Very low | 52 Ų | 52 | 79.4 Ų | 79.4 | 32% | 0.315 | 54% | 0.537 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.9 | 120.7 | 175 | -176.5 | 0 | 0 | 0 | 0 | 109.8 | T267 L280 | T267-V282 PolarHBondContact N-O 3.46Å; T267-V282 PolarHBondContact O-N 3.15Å; L280-V282 PolarHBondContact O-N 3.26Å |
| 283 | I | 34 | Very low | 33.4 | Very low | 118 Ų | 118 | 81.7 Ų | 81.7 | 61% | 0.605 | 55% | 0.546 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -100.4 | 104.8 | 171.5 | -57.2 | 175.6 | 0 | 0 | 0 | 108.3 | M266 N285 | M266-I283 HydrophobicContact CG-CG1 4.4Å; I283-N285 PolarHBondContact O-N 3.42Å |
| 284 | N | 36.3 | Very low | 33.3 | Very low | 83 Ų | 83 | 82 Ų | 82 | 44% | 0.444 | 55% | 0.548 | S | S | . | . | | | trans | -73.6 | 108.1 | 168.5 | -86.2 | -29.6 | 0 | 0 | 0 | 109.6 | | |
| 285 | N | 29.8 | Very low | 33.6 | Very low | 144 Ų | 144 | 81.3 Ų | 81.3 | 77% | 0.77 | 52% | 0.521 | S | S | * | . | | | trans | -117.5 | 150.6 | 167.9 | -129.4 | -29 | 0 | 0 | 0 | 109.7 | I283 | I283-N285 PolarHBondContact O-N 3.42Š|
| 286 | V | 30.8 | Very low | 33.5 | Very low | 108 Ų | 108 | 82.5 Ų | 82.5 | 66% | 0.655 | 51% | 0.507 | S | S | * | . | S | Bend | trans | -83.1 | 152.6 | -146.8 | -178.9 | 0 | 0 | 0 | 0 | 114.5 | | |
| 287 | A | 31.7 | Very low | 33.5 | Very low | 103 Ų | 103 | 78.2 Ų | 78.2 | 85% | 0.851 | 49% | 0.49 | S | S | * | . | S | Bend | trans | 72.1 | 62.2 | 166.1 | 0 | 0 | 0 | 0 | 0 | 118.5 | | |
| 288 | G | 31.2 | Very low | 33.4 | Very low | 70 Ų | 70 | 80 Ų | 80 | 72% | 0.722 | 51% | 0.513 | S | S | * | . | | | trans | -172.6 | 142.6 | 159.4 | 0 | 0 | 0 | 0 | 0 | 113.5 | G290 | G288-G290 PolarHBondContact O-N 3.32Š|
| 289 | S | 33.6 | Very low | 33.1 | Very low | 135 Ų | 135 | 81.7 Ų | 81.7 | 94% | 0.944 | 52% | 0.523 | S | S | * | . | | | trans | -79.5 | 68.5 | 171.1 | 56.9 | 0 | 0 | 0 | 0 | 110.5 | | |
| 290 | G | 33.7 | Very low | 33.2 | Very low | 34 Ų | 34 | 80.3 Ų | 80.3 | 35% | 0.351 | 52% | 0.516 | S | S | . | . | | | trans | -76.7 | 119.1 | -179.8 | 0 | 0 | 0 | 0 | 0 | 112.3 | G288 | G288-G290 PolarHBondContact O-N 3.32Š|
| 291 | A | 34.3 | Very low | 33 | Very low | 38 Ų | 38 | 81.7 Ų | 81.7 | 31% | 0.314 | 53% | 0.526 | S | S | . | . | | | trans | -77.2 | 135.5 | 167.3 | 0 | 0 | 0 | 0 | 0 | 110 | Q254 | Q254-A291 HydrophobicContact CG-CB 4.32Š|
| 292 | V | 36.3 | Very low | 33.3 | Very low | 34 Ų | 34 | 81.6 Ų | 81.6 | 21% | 0.206 | 52% | 0.518 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.3 | 108.7 | 179.3 | -178.3 | 0 | 0 | 0 | 0 | 109.3 | V304 A305 N306 | V292-V304 HydrophobicContact CG1-CG1 3.57Å; V292-A305 CarbonylContact C-O 3.57Å; V292-A305 WeakPolarHBondContact CA-O 3.48Å; V292-N306 HydrophobicContact CG2-CB 4.16Å |
| 293 | Q | 35.8 | Very low | 33.2 | Very low | 107 Ų | 107 | 81.3 Ų | 81.3 | 50% | 0.5 | 52% | 0.518 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.8 | 126.4 | 178.6 | -67.9 | -173.6 | -5.4 | 0 | 0 | 111.1 | A305 | Q293-A305 PolarHBondContact N-O 2.92Å; Q293-A305 PolarHBondContact O-N 3.11Å |
| 294 | L | 35.9 | Very low | 33.3 | Very low | 47 Ų | 47 | 77.4 Ų | 77.4 | 25% | 0.246 | 50% | 0.499 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.7 | 114.4 | 166.8 | -86.4 | 153.4 | 0 | 0 | 0 | 108.3 | I253 I271 V304 | I253-L294 HydrophobicContact CD1-CD1 4.23Å; I271-L294 HydrophobicContact CD1-CD1 4.22Å; L294-V304 HydrophobicContact CD2-CG2 3.73Å; L294-V304 HydrophobicContact CG-CG2 4.43Å |
| 295 | I | 36.3 | Very low | 33.3 | Very low | 82 Ų | 82 | 74.8 Ų | 74.8 | 42% | 0.421 | 49% | 0.49 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.7 | 117.6 | -179.9 | -57.3 | 175.7 | 0 | 0 | 0 | 107.8 | F302 S303 | I295-F302 WeakPolarHBondContact O-CA 3.44Å; I295-S303 PolarHBondContact N-O 3.32Å; I295-S303 PolarHBondContact O-N 3.38Å |
| 296 | Q | 33.4 | Very low | 33.5 | Very low | 97 Ų | 97 | 71.7 Ų | 71.7 | 45% | 0.453 | 47% | 0.473 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.6 | 121.3 | 170.2 | -170.1 | 177.3 | 3.1 | 0 | 0 | 109.4 | T301 F302 | Q296-T301 WeakPolarHBondContact CA-O 3.33Å; Q296-F302 HydrophobicContact CB-CD1 3.87Å; Q296-F302 HydrophobicContact CB-CE1 3.64Å; Q296-F302 HydrophobicContact CB-CZ 4.36Å; Q296-F302 VanDerWaalsContact CD-CE1 3.48Å; Q296-F302 HydrophobicContact CG-CD1 3.99Å; Q296-F302 HydrophobicContact CG-CE1 3.52Å; Q296-F302 HydrophobicContact CG-CE2 4.36Å; Q296-F302 HydrophobicContact CG-CZ 3.73Å |
| 297 | S | 30.4 | Very low | 33.8 | Very low | 47 Ų | 47 | 69.4 Ų | 69.4 | 33% | 0.329 | 47% | 0.471 | S | S | . | . | | | trans | -78.1 | 158.1 | 172.7 | -71.2 | 0 | 0 | 0 | 0 | 111.1 | D299 G300 T301 | S297-D299 WeakPolarHBondContact CB-OD1 3.31Å; S297-D299 PolarHBondContact O-N 3.45Å; S297-D299 VanDerWaalsContact O-N 3.09Å; S297-G300 PolarHBondContact O-N 3.26Å; S297-T301 WeakPolarHBondContact CB-OG1 3.36Å; S297-T301 PolarHBondContact N-O 3.43Å |
| 298 | A | 29.6 | Very low | 34 | Very low | 121 Ų | 121 | 71.4 Ų | 71.4 | 100% | 1 | 47% | 0.468 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67 | -8.6 | -178.4 | 0 | 0 | 0 | 0 | 0 | 114.6 | | |
| 299 | D | 29.4 | Very low | 34.1 | Very low | 111 Ų | 111 | 74.9 Ų | 74.9 | 59% | 0.594 | 47% | 0.465 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -90.6 | -1.8 | 172.1 | 61.1 | 5.5 | 0 | 0 | 0 | 113.5 | S297 T301 | S297-D299 WeakPolarHBondContact CB-OD1 3.31Å; S297-D299 PolarHBondContact O-N 3.45Å; S297-D299 VanDerWaalsContact O-N 3.09Å; D299-T301 WeakPolarHBondContact OD1-CB 3.46Å; D299-T301 WeakPolarHBondContact OD1-CG2 3.46Å; D299-T301 PolarHBondContact OD1-N 2.92Å; D299-T301 PolarHBondContact OD1-OG1 3.06Å; D299-T301 PolarHBondContact OD2-OG1 3.26Å |
| 300 | G | 33.1 | Very low | 33.9 | Very low | 39 Ų | 39 | 74.5 Ų | 74.5 | 40% | 0.402 | 45% | 0.452 | S | S | . | . | S | Bend | trans | 88.4 | 0.7 | -176.9 | 0 | 0 | 0 | 0 | 0 | 115 | S297 F302 | S297-G300 PolarHBondContact O-N 3.26Å; G300-F302 WeakPolarHBondContact O-CD2 3.24Å; G300-F302 WeakPolarHBondContact O-CE2 3.4Å |
| 301 | T | 31.8 | Very low | 33.8 | Very low | 71 Ų | 71 | 77.1 Ų | 77.1 | 44% | 0.436 | 46% | 0.461 | S | S | . | . | | | trans | -76 | 146.1 | 175 | 63.2 | 0 | 0 | 0 | 0 | 111.8 | Q296 S297 D299 | Q296-T301 WeakPolarHBondContact CA-O 3.33Å; S297-T301 WeakPolarHBondContact CB-OG1 3.36Å; S297-T301 PolarHBondContact N-O 3.43Å; D299-T301 WeakPolarHBondContact OD1-CB 3.46Å; D299-T301 WeakPolarHBondContact OD1-CG2 3.46Å; D299-T301 PolarHBondContact OD1-N 2.92Å; D299-T301 PolarHBondContact OD1-OG1 3.06Å; D299-T301 PolarHBondContact OD2-OG1 3.26Å |
| 302 | F | 35 | Very low | 33.4 | Very low | 73 Ų | 73 | 81.2 Ų | 81.2 | 32% | 0.32 | 48% | 0.482 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.3 | 126.4 | 178.6 | -66.3 | -90.6 | 0 | 0 | 0 | 110.2 | L273 L278 I295 Q296 G300 | L273-F302 HydrophobicContact CD2-CE1 4.31Å; L273-F302 HydrophobicContact CD2-CZ 3.94Å; L278-F302 HydrophobicContact CD1-CD2 4.27Å; I295-F302 WeakPolarHBondContact O-CA 3.44Å; Q296-F302 HydrophobicContact CB-CD1 3.87Å; Q296-F302 HydrophobicContact CB-CE1 3.64Å; Q296-F302 HydrophobicContact CB-CZ 4.36Å; Q296-F302 VanDerWaalsContact CD-CE1 3.48Å; Q296-F302 HydrophobicContact CG-CD1 3.99Å; Q296-F302 HydrophobicContact CG-CE1 3.52Å; Q296-F302 HydrophobicContact CG-CE2 4.36Å; Q296-F302 HydrophobicContact CG-CZ 3.73Å; G300-F302 WeakPolarHBondContact O-CD2 3.24Å; G300-F302 WeakPolarHBondContact O-CE2 3.4Å |
| 303 | S | 34.6 | Very low | 33 | Very low | 45 Ų | 45 | 85.1 Ų | 85.1 | 32% | 0.315 | 51% | 0.506 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.7 | 142.8 | 175.1 | -66.9 | 0 | 0 | 0 | 0 | 110.9 | I295 | I295-S303 PolarHBondContact N-O 3.32Å; I295-S303 PolarHBondContact O-N 3.38Å |
| 304 | V | 36.6 | Very low | 32.4 | Very low | 36 Ų | 36 | 84.3 Ų | 84.3 | 22% | 0.218 | 52% | 0.518 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.4 | 119.2 | 179.1 | -177.2 | 0 | 0 | 0 | 0 | 109.8 | L280 V292 L294 | L280-V304 HydrophobicContact CD2-CG2 3.71Å; V292-V304 HydrophobicContact CG1-CG1 3.57Å; L294-V304 HydrophobicContact CD2-CG2 3.73Å; L294-V304 HydrophobicContact CG-CG2 4.43Å |
| 305 | A | 35.8 | Very low | 31.8 | Very low | 29 Ų | 29 | 88.3 Ų | 88.3 | 24% | 0.24 | 54% | 0.544 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.9 | 116 | 172.4 | 0 | 0 | 0 | 0 | 0 | 109.7 | V292 Q293 L310 | V292-A305 CarbonylContact C-O 3.57Å; V292-A305 WeakPolarHBondContact CA-O 3.48Å; Q293-A305 PolarHBondContact N-O 2.92Å; Q293-A305 PolarHBondContact O-N 3.11Å; A305-L310 HydrophobicContact CB-CD2 4.31Å |
| 306 | N | 34.8 | Very low | 31.3 | Very low | 79 Ų | 79 | 90.6 Ų | 90.6 | 42% | 0.422 | 56% | 0.564 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -96.8 | 152.9 | 158.7 | -167.5 | -4.6 | 0 | 0 | 0 | 107.8 | V292 N308 Q309 | V292-N306 HydrophobicContact CG2-CB 4.16Å; N306-N308 PolarHBondContact O-N 2.96Å; N306-Q309 PolarHBondContact N-O 2.99Å; N306-Q309 PolarHBondContact O-N 3.24Å; N306-Q309 VanDerWaalsContact O-O 3.08Å |
| 307 | G | 37.4 | Very low | 30.9 | Very low | 60 Ų | 60 | 89.1 Ų | 89.1 | 62% | 0.619 | 58% | 0.575 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -62.8 | 17 | -163.4 | 0 | 0 | 0 | 0 | 0 | 119 | | |
| 308 | N | 35 | Very low | 30.6 | Very low | 145 Ų | 145 | 90.3 Ų | 90.3 | 78% | 0.775 | 60% | 0.595 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -157.1 | 8 | 164.4 | -96.9 | -33.3 | 0 | 0 | 0 | 114.1 | N306 | N306-N308 PolarHBondContact O-N 2.96Š|
| 309 | Q | 33.3 | Very low | 30.4 | Very low | 143 Ų | 143 | 91 Ų | 91 | 67% | 0.668 | 59% | 0.586 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -147.3 | 131.3 | -179.2 | -67.4 | -71.7 | -86.4 | 0 | 0 | 111.2 | N306 | N306-Q309 PolarHBondContact N-O 2.99Å; N306-Q309 PolarHBondContact O-N 3.24Å; N306-Q309 VanDerWaalsContact O-O 3.08Å |
| 310 | L | 28.8 | Very low | 30.2 | Very low | 127 Ų | 127 | 91.3 Ų | 91.3 | 67% | 0.665 | 59% | 0.594 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -93.8 | 124.4 | 162.2 | -96.6 | 163.7 | 0 | 0 | 0 | 108.5 | A305 | A305-L310 HydrophobicContact CB-CD2 4.31Å |
| 311 | V | 32.3 | Very low | 29.7 | Very low | 89 Ų | 89 | 94.6 Ų | 94.6 | 54% | 0.539 | 62% | 0.617 | S | S | . | * | | | trans | -115.6 | 102.3 | 178.8 | -179.2 | 0 | 0 | 0 | 0 | 109.3 | T313 | V311-T313 HydrophobicContact CG1-CG2 4.21Š|
| 312 | T | 26.6 | Very low | 29.3 | Very low | 124 Ų | 124 | 95.7 Ų | 95.7 | 76% | 0.761 | 63% | 0.634 | S | S | * | * | | | trans | -94.3 | 110.5 | 175.8 | -45.6 | 0 | 0 | 0 | 0 | 109.8 | | |
| 313 | T | 26.1 | Very low | 29.1 | Very low | 115 Ų | 115 | 98.1 Ų | 98.1 | 71% | 0.706 | 66% | 0.657 | S | S | * | * | | | trans | -118 | 106.5 | 171 | 51.2 | 0 | 0 | 0 | 0 | 110.4 | V311 | V311-T313 HydrophobicContact CG1-CG2 4.21Š|
| 314 | A | 23.3 | Very low | 28.5 | Very low | 90 Ų | 90 | 101.8 Ų | 101.8 | 74% | 0.744 | 68% | 0.682 | S | S | * | * | | | trans | -124.1 | 116.4 | 169 | 0 | 0 | 0 | 0 | 0 | 108.6 | | |
| 315 | V | 24.2 | Very low | 27.9 | Very low | 131 Ų | 131 | 105.3 Ų | 105.3 | 79% | 0.794 | 72% | 0.715 | S | S | * | * | | | trans | -128.2 | 112.6 | 174.2 | -180 | 0 | 0 | 0 | 0 | 107.8 | G317 | V315-G317 VanDerWaalsContact C-N 3.32Å; V315-G317 PolarHBondContact O-N 3.03Å |
| 316 | P | 25.7 | Very low | 27.3 | Very low | 131 Ų | 131 | 107.6 Ų | 107.6 | 85% | 0.851 | 74% | 0.742 | S | S | * | * | | | trans | -76.3 | 84.4 | 176 | 30.7 | -33.1 | 0 | 0 | 0 | 110 | G318 | P316-G318 PolarHBondContact O-N 3.44Š|
| 317 | G | 24.6 | Very low | 26.7 | Very low | 66 Ų | 66 | 108.9 Ų | 108.9 | 68% | 0.68 | 76% | 0.757 | S | S | * | * | | | trans | -73.6 | 80.2 | 177.2 | 0 | 0 | 0 | 0 | 0 | 112.7 | V315 V319 | V315-G317 VanDerWaalsContact C-N 3.32Å; V315-G317 PolarHBondContact O-N 3.03Å; G317-V319 PolarHBondContact O-N 3.25Å |
| 318 | G | 25 | Very low | 26 | Very low | 72 Ų | 72 | 112.4 Ų | 112.4 | 74% | 0.742 | 77% | 0.767 | S | S | * | * | P | Polyproline II helix | trans | -68.9 | 121.2 | 169.9 | 0 | 0 | 0 | 0 | 0 | 111.4 | P316 | P316-G318 PolarHBondContact O-N 3.44Š|
| 319 | V | 24.6 | Very low | 25.7 | Very low | 136 Ų | 136 | 111 Ų | 111 | 82% | 0.824 | 77% | 0.766 | S | S | * | * | P | Polyproline II helix | trans | -79 | 126.6 | 175.6 | -180 | 0 | 0 | 0 | 0 | 109.5 | G317 | G317-V319 PolarHBondContact O-N 3.25Š|
| 320 | P | 25.6 | Very low | 25.2 | Very low | 117 Ų | 117 | 111.2 Ų | 111.2 | 76% | 0.76 | 78% | 0.777 | S | S | * | * | P | Polyproline II helix | trans | -73.3 | 131.5 | 174.9 | 30 | -33.6 | 0 | 0 | 0 | 110.7 | | |
| 321 | A | 23 | Very low | 25 | Very low | 107 Ų | 107 | 110.1 Ų | 110.1 | 88% | 0.884 | 79% | 0.786 | S | S | * | * | P | Polyproline II helix | trans | -77.4 | 133.2 | 173.4 | 0 | 0 | 0 | 0 | 0 | 111 | | |
| 322 | A | 22.7 | Very low | 24.7 | Very low | 95 Ų | 95 | 110.8 Ų | 110.8 | 79% | 0.785 | 80% | 0.801 | S | S | * | * | | | trans | -119.1 | 141.2 | 168.3 | 0 | 0 | 0 | 0 | 0 | 109.4 | | |
| 323 | P | 31.2 | Very low | 24.6 | Very low | 124 Ų | 124 | 114.5 Ų | 114.5 | 81% | 0.805 | 81% | 0.81 | S | S | * | * | | | trans | -93.7 | 143.8 | -170.4 | 35.1 | -34.8 | 0 | 0 | 0 | 113.7 | | |
| 324 | S | 21.8 | Very low | 24.7 | Very low | 121 Ų | 121 | 112.8 Ų | 112.8 | 85% | 0.846 | 82% | 0.815 | S | S | * | * | | | trans | 179.4 | 147.5 | 131 | 37.1 | 0 | 0 | 0 | 0 | 114.4 | | |
| 325 | A | 24 | Very low | 24.7 | Very low | 110 Ų | 110 | 116.1 Ų | 116.1 | 91% | 0.909 | 82% | 0.82 | S | S | * | * | | | trans | 24.6 | 131.2 | 152.4 | 0 | 0 | 0 | 0 | 0 | 122.4 | | |
| 326 | G | 23 | Very low | 24.8 | Very low | 78 Ų | 78 | 113.3 Ų | 113.3 | 80% | 0.804 | 82% | 0.818 | S | S | * | * | | | trans | 178.9 | 109.4 | 161 | 0 | 0 | 0 | 0 | 0 | 111.6 | | |
| 327 | S | 23 | Very low | 24.9 | Very low | 106 Ų | 106 | 112.3 Ų | 112.3 | 74% | 0.741 | 81% | 0.809 | S | S | * | * | | | trans | -103.5 | 132.4 | -168 | -54.2 | 0 | 0 | 0 | 0 | 114.1 | | |
| 328 | T | 22.3 | Very low | 25.1 | Very low | 133 Ų | 133 | 114.1 Ų | 114.1 | 82% | 0.816 | 81% | 0.812 | S | S | * | * | | | trans | 60.8 | 165.1 | 144 | 53.9 | 0 | 0 | 0 | 0 | 120.1 | | |
| 329 | P | 29.2 | Very low | 25.1 | Very low | 116 Ų | 116 | 118.6 Ų | 118.6 | 75% | 0.753 | 82% | 0.818 | S | S | * | * | | | cis | -127 | 167.9 | -29.8 | 33.9 | -18.5 | 0 | 0 | 0 | 113 | | |
| 330 | T | 23.3 | Very low | 25.1 | Very low | 147 Ų | 147 | 115 Ų | 115 | 90% | 0.902 | 81% | 0.809 | S | S | * | * | | | trans | -135.8 | 137.7 | 152 | 15.3 | 0 | 0 | 0 | 0 | 109.1 | | |
| 331 | A | 23.1 | Very low | 25.1 | Very low | 105 Ų | 105 | 113.4 Ų | 113.4 | 87% | 0.868 | 81% | 0.806 | S | S | * | * | | | trans | -85.9 | 149.2 | -177.7 | 0 | 0 | 0 | 0 | 0 | 111.8 | | |
| 332 | A | 27 | Very low | 25.2 | Very low | 102 Ų | 102 | 117.7 Ų | 117.7 | 84% | 0.843 | 81% | 0.807 | S | S | * | * | | | trans | -134.6 | 137.7 | 156.7 | 0 | 0 | 0 | 0 | 0 | 107 | | |
| 333 | E | 24.5 | Very low | 25.2 | Very low | 203 Ų | 203 | 116.5 Ų | 116.5 | 95% | 0.949 | 81% | 0.805 | S | S | * | * | | | trans | -82.5 | 147.6 | -170.7 | -65.3 | 167 | 113.8 | 0 | 0 | 111.6 | | |
| 334 | G | 27.6 | Very low | 25 | Very low | 79 Ų | 79 | 118 Ų | 118 | 81% | 0.814 | 81% | 0.811 | S | S | * | * | | | trans | -155.6 | 87.6 | 178.9 | 0 | 0 | 0 | 0 | 0 | 110.2 | | |
| 335 | D | 22.9 | Very low | 25.1 | Very low | 160 Ų | 160 | 116.8 Ų | 116.8 | 86% | 0.856 | 81% | 0.809 | S | S | * | * | | | trans | -76.2 | 143.1 | 172.5 | -157.8 | -16.2 | 0 | 0 | 0 | 109.9 | | |
| 336 | G | 26.8 | Very low | 25.2 | Very low | 72 Ų | 72 | 116.7 Ų | 116.7 | 74% | 0.742 | 81% | 0.808 | S | S | * | * | | | trans | -179 | 66.8 | -159.5 | 0 | 0 | 0 | 0 | 0 | 112.3 | | |
| 337 | T | 27.2 | Very low | 25.2 | Very low | 110 Ų | 110 | 117.4 Ų | 117.4 | 68% | 0.675 | 81% | 0.806 | S | S | * | * | | | trans | -63.5 | 136.2 | -170.9 | 52.4 | 0 | 0 | 0 | 0 | 115.6 | | |
| 338 | S | 28.4 | Very low | 26.5 | Very low | 104 Ų | 104 | 117.4 Ų | 117.4 | 73% | 0.727 | 80% | 0.804 | S | S | * | * | | | trans | 63.9 | 148.5 | 142.9 | 70.3 | 0 | 0 | 0 | 0 | 118.6 | | |
| 339 | D | 25.6 | Very low | 26.5 | Very low | 165 Ų | 165 | 118.6 Ų | 118.6 | 88% | 0.882 | 81% | 0.805 | S | S | * | * | | | cis | -157.5 | 177.4 | 0.8 | -143.7 | -53.3 | 0 | 0 | 0 | 109.6 | | |
| 340 | G | 25 | Very low | 26.4 | Very low | 61 Ų | 61 | 116.3 Ų | 116.3 | 63% | 0.629 | 80% | 0.803 | S | S | * | * | | | trans | 112.8 | 89.6 | 149 | 0 | 0 | 0 | 0 | 0 | 119.9 | | |
| 341 | A | 25.1 | Very low | 26.5 | Very low | 84 Ų | 84 | 114.1 Ų | 114.1 | 69% | 0.694 | 80% | 0.799 | S | S | * | * | | | trans | 69.6 | 122 | 131.8 | 0 | 0 | 0 | 0 | 0 | 123.3 | | |
| 342 | Q | 25.6 | Very low | 27.7 | Very low | 196 Ų | 196 | 114.1 Ų | 114.1 | 92% | 0.916 | 79% | 0.791 | S | S | * | * | | | trans | 67.1 | 133.4 | 138.8 | -60.5 | 169.8 | 2.9 | 0 | 0 | 117.1 | | |
| 343 | G | 23.4 | Very low | 27.6 | Very low | 71 Ų | 71 | 116 Ų | 116 | 73% | 0.732 | 79% | 0.787 | S | S | * | * | | | | 106.5 | 122.3 | 50.3 | 0 | 0 | 0 | 0 | 0 | 107 | | |
| 344 | V | 26.7 | Very low | 27.6 | Very low | 154 Ų | 154 | 113 Ų | 113 | 93% | 0.933 | 78% | 0.777 | S | S | * | * | | | | -163.9 | 158.9 | 71.7 | 158.2 | 0 | 0 | 0 | 0 | 109.3 | | |
| 345 | A | 23.8 | Very low | 27.4 | Very low | 97 Ų | 97 | 114.1 Ų | 114.1 | 80% | 0.802 | 77% | 0.772 | S | S | * | * | | | trans | -96.9 | 155.6 | -179.5 | 0 | 0 | 0 | 0 | 0 | 114.2 | | |
| 346 | A | 25.3 | Very low | 27.3 | Very low | 108 Ų | 108 | 115.2 Ų | 115.2 | 89% | 0.893 | 77% | 0.772 | S | S | * | * | | | trans | -158.3 | 135.6 | 154.5 | 0 | 0 | 0 | 0 | 0 | 112.7 | | |
| 347 | A | 23.8 | Very low | 27.2 | Very low | 93 Ų | 93 | 117.7 Ų | 117.7 | 77% | 0.769 | 77% | 0.772 | S | S | * | * | | | trans | -152.7 | -178.5 | 165.9 | 0 | 0 | 0 | 0 | 0 | 105.6 | | |
| 348 | P | 48.9 | Very low | 26.9 | Very low | 105 Ų | 105 | 120.2 Ų | 120.2 | 68% | 0.682 | 78% | 0.776 | S | S | * | * | | | cis | -137.7 | -138.3 | 4.7 | 39.3 | -15.5 | 0 | 0 | 0 | 112.4 | | |
| 349 | D | 23.6 | Very low | 26.6 | Very low | 158 Ų | 158 | 120.9 Ų | 120.9 | 85% | 0.845 | 78% | 0.78 | S | S | * | * | | | trans | 73 | 134.6 | 166.8 | -59.7 | -49.9 | 0 | 0 | 0 | 119.8 | | |
| 350 | G | 26.2 | Very low | 26.5 | Very low | 69 Ų | 69 | 116.4 Ų | 116.4 | 71% | 0.711 | 77% | 0.774 | S | S | * | * | | | cis | 173.8 | 123.1 | -10.6 | 0 | 0 | 0 | 0 | 0 | 117.4 | | |
| 351 | A | 26.8 | Very low | 26.3 | Very low | 100 Ų | 100 | 122.4 Ų | 122.4 | 83% | 0.826 | 79% | 0.785 | S | S | * | * | | | trans | 67.4 | -180 | 149 | 0 | 0 | 0 | 0 | 0 | 119.1 | | |
| 352 | P | 47.7 | Very low | 26.3 | Very low | 106 Ų | 106 | 124.1 Ų | 124.1 | 69% | 0.688 | 79% | 0.787 | S | S | * | * | | | | -138.5 | -156.9 | -81.6 | 44.3 | -27.1 | 0 | 0 | 0 | 114.9 | | |
| 353 | D | 24.4 | Very low | 26.1 | Very low | 141 Ų | 141 | 120.9 Ų | 120.9 | 75% | 0.754 | 78% | 0.776 | S | S | * | * | | | trans | 74.2 | 151.8 | 159.8 | -77.3 | -38.4 | 0 | 0 | 0 | 119.7 | | |
| 354 | N | 25.5 | Very low | 26.3 | Very low | 139 Ų | 139 | 122 Ų | 122 | 74% | 0.743 | 77% | 0.773 | S | S | * | * | | | cis | -160.1 | -177.9 | -26 | -158.4 | -13.7 | 0 | 0 | 0 | 109.7 | | |
| 355 | C | 21.8 | Very low | 26.2 | Very low | 104 Ų | 104 | 123.4 Ų | 123.4 | 70% | 0.703 | 77% | 0.769 | S | S | * | * | | | trans | -92.5 | -179.7 | -170.3 | -56.8 | 0 | 0 | 0 | 0 | 116.7 | | |
| 356 | Q | 22.6 | Very low | 26.2 | Very low | 183 Ų | 183 | 123.6 Ų | 123.6 | 86% | 0.855 | 77% | 0.765 | S | S | * | * | | | trans | 77.5 | 151.8 | 169.3 | -56.7 | 174.2 | -16.4 | 0 | 0 | 114.1 | | |
| 357 | V | 23.6 | Very low | 26.2 | Very low | 123 Ų | 123 | 126 Ų | 126 | 75% | 0.745 | 76% | 0.758 | S | S | * | * | | | cis | -137.8 | 130.6 | 29.6 | 169.9 | 0 | 0 | 0 | 0 | 108.5 | | |
| 358 | Q | 21.7 | Very low | 26.2 | Very low | 163 Ų | 163 | 127.2 Ų | 127.2 | 76% | 0.762 | 75% | 0.751 | S | S | * | * | | | | 83.2 | 129.4 | 66.9 | -140.9 | -172.1 | 20.2 | 0 | 0 | 115.4 | | |
| 359 | S | 22 | Very low | 25.1 | Very low | 118 Ų | 118 | 130 Ų | 130 | 83% | 0.825 | 76% | 0.755 | S | S | * | * | | | trans | 65.7 | 151 | 161.8 | -52 | 0 | 0 | 0 | 0 | 119.2 | | |
| 360 | G | 22.5 | Very low | 25.1 | Very low | 72 Ų | 72 | 126.5 Ų | 126.5 | 74% | 0.742 | 75% | 0.748 | S | S | * | * | | | cis | -176.2 | -172.7 | -0.9 | 0 | 0 | 0 | 0 | 0 | 114.3 | | |
| 361 | E | 22 | Very low | 24.9 | Very low | 186 Ų | 186 | 131.5 Ų | 131.5 | 87% | 0.869 | 76% | 0.759 | S | S | * | * | | | trans | -43.2 | 160.8 | 176.6 | -66.4 | 153.3 | 115.8 | 0 | 0 | 117 | | |
| 362 | T | 24.6 | Very low | 24.6 | Very low | 120 Ų | 120 | 130.2 Ų | 130.2 | 74% | 0.736 | 76% | 0.755 | S | S | * | * | | | cis | -151.8 | -153.4 | -0.3 | 15.6 | 0 | 0 | 0 | 0 | 109.3 | | |
| 363 | D | 22.2 | Very low | 23.5 | Very low | 129 Ų | 129 | 133.5 Ų | 133.5 | 69% | 0.69 | 77% | 0.766 | S | S | * | * | | | cis | -161.7 | 168.9 | 10.3 | -138.1 | -59.8 | 0 | 0 | 0 | 115 | | |
| 364 | S | 26.9 | Very low | 23.4 | Very low | 95 Ų | 95 | 134.7 Ų | 134.7 | 66% | 0.664 | 77% | 0.767 | S | S | * | * | | | trans | 25.9 | 121.1 | 150.7 | -71.3 | 0 | 0 | 0 | 0 | 124.4 | | |
| 365 | Q | 24.8 | Very low | 23.2 | Very low | 182 Ų | 182 | 135 Ų | 135 | 85% | 0.85 | 77% | 0.769 | S | S | * | * | | | | -177.9 | 117.3 | 102.8 | -94.8 | 177.3 | 1.9 | 0 | 0 | 109.9 | | |
| 366 | S | 24.1 | Very low | 23.3 | Very low | 102 Ų | 102 | 138.8 Ų | 138.8 | 71% | 0.713 | 78% | 0.776 | S | S | * | * | | | | 72 | 135.1 | 86.7 | -60.6 | 0 | 0 | 0 | 0 | 115.3 | | |
| 367 | Q | 25.5 | Very low | 23.2 | Very low | 159 Ų | 159 | 134.2 Ų | 134.2 | 74% | 0.743 | 77% | 0.765 | S | S | * | * | | | cis | -171.2 | 151.2 | -3.3 | -119.8 | -175.5 | 8.4 | 0 | 0 | 111.6 | | |
| 368 | N | 23.7 | Very low | 23.1 | Very low | 117 Ų | 117 | 135.5 Ų | 135.5 | 63% | 0.626 | 77% | 0.767 | S | S | * | * | | | trans | 59.9 | 159.5 | 149.5 | -65.9 | -40.1 | 0 | 0 | 0 | 120 | | |
| 369 | Q | 25.5 | Very low | 23.2 | Very low | 163 Ų | 163 | 132.5 Ų | 132.5 | 76% | 0.762 | 77% | 0.77 | S | S | * | * | | | cis | -158.1 | 134.1 | -13.6 | -109.2 | 163.4 | 38 | 0 | 0 | 106.5 | | |
| 370 | A | 22.7 | Very low | 23.5 | Very low | 85 Ų | 85 | 132.5 Ų | 132.5 | 70% | 0.702 | 77% | 0.767 | S | S | * | * | | | | 87.6 | 131.1 | 77 | 0 | 0 | 0 | 0 | 0 | 116.1 | | |
| 371 | N | 22.5 | Very low | 23.6 | Very low | 174 Ų | 174 | 132.4 Ų | 132.4 | 93% | 0.93 | 77% | 0.766 | S | S | * | * | | | trans | 63.2 | 143.2 | 177.7 | -59.5 | -18.2 | 0 | 0 | 0 | 117.7 | | |
| 372 | G | 20.9 | Very low | 23.8 | Very low | 73 Ų | 73 | 130.3 Ų | 130.3 | 75% | 0.753 | 77% | 0.766 | S | S | * | * | | | cis | 144.2 | 116.8 | -9.3 | 0 | 0 | 0 | 0 | 0 | 113.3 | | |
| 373 | L | 24.2 | Very low | 23.7 | Very low | 175 Ų | 175 | 131.8 Ų | 131.8 | 92% | 0.916 | 77% | 0.768 | S | S | * | * | | | trans | -159.9 | 157.6 | 171 | -111.8 | 167.8 | 0 | 0 | 0 | 111.3 | | |
| 374 | Q | 22.4 | Very low | 23.8 | Very low | 166 Ų | 166 | 134 Ų | 134 | 78% | 0.776 | 77% | 0.774 | S | S | * | * | | | trans | -103.1 | 170.1 | -170.1 | -72.6 | 136.6 | -65.1 | 0 | 0 | 114.7 | | |
| 375 | N | 21.7 | Very low | 23.7 | Very low | 146 Ų | 146 | 137.4 Ų | 137.4 | 78% | 0.781 | 78% | 0.779 | S | S | * | * | | | trans | 67.7 | 108.3 | 157.4 | -74.2 | -17.1 | 0 | 0 | 0 | 118.9 | | |
| 376 | Q | 22.3 | Very low | 23.7 | Very low | 184 Ų | 184 | 134.5 Ų | 134.5 | 86% | 0.86 | 77% | 0.774 | S | S | * | * | | | | -170.2 | 142.2 | 93.8 | -102.6 | 165.3 | 39.2 | 0 | 0 | 115.8 | | |
| 377 | S | 22 | Very low | 23.8 | Very low | 87 Ų | 87 | 136.6 Ų | 136.6 | 61% | 0.608 | 78% | 0.776 | S | S | * | * | | | trans | -11.5 | 138.2 | 158 | 50.6 | 0 | 0 | 0 | 0 | 122.8 | | |
| 378 | D | 21.2 | Very low | 23.8 | Very low | 150 Ų | 150 | 134.2 Ų | 134.2 | 80% | 0.802 | 77% | 0.772 | S | S | * | * | | | | 51.4 | 122.1 | 127.5 | -58.9 | -79.6 | 0 | 0 | 0 | 123.1 | | |
| 379 | A | 24.1 | Very low | 23.9 | Very low | 99 Ų | 99 | 130.8 Ų | 130.8 | 82% | 0.818 | 76% | 0.764 | S | S | * | * | | | trans | -163.4 | 93 | 140.1 | 0 | 0 | 0 | 0 | 0 | 112.4 | | |
| 380 | P | 26.7 | Very low | 24.1 | Very low | 119 Ų | 119 | 130.4 Ų | 130.4 | 77% | 0.773 | 76% | 0.763 | S | S | * | * | P | Polyproline II helix | trans | -75.4 | 152.6 | 165.2 | 31.6 | -33.4 | 0 | 0 | 0 | 111.7 | | |
| 381 | G | 25.5 | Very low | 24.3 | Very low | 69 Ų | 69 | 132.6 Ų | 132.6 | 71% | 0.711 | 77% | 0.767 | S | S | * | * | P | Polyproline II helix | trans | -67.8 | 155.5 | -176.4 | 0 | 0 | 0 | 0 | 0 | 115.2 | I383 | G381-I383 PolarHBondContact O-N 3.4Š|
| 382 | T | 25.4 | Very low | 25.2 | Very low | 142 Ų | 142 | 126.9 Ų | 126.9 | 87% | 0.871 | 75% | 0.749 | S | S | * | * | P | Polyproline II helix | trans | -57.7 | 117.2 | -169 | -43.7 | 0 | 0 | 0 | 0 | 114.8 | | |
| 383 | I | 23.6 | Very low | 25.8 | Very low | 151 Ų | 151 | 133.2 Ų | 133.2 | 77% | 0.774 | 76% | 0.759 | S | S | * | * | P | Polyproline II helix | trans | -91.5 | 125.6 | 164.1 | -62.4 | 171.3 | 0 | 0 | 0 | 108.4 | G381 | G381-I383 PolarHBondContact O-N 3.4Š|
| 384 | Q | 23.1 | Very low | 26 | Very low | 177 Ų | 177 | 131.3 Ų | 131.3 | 83% | 0.827 | 75% | 0.745 | S | S | * | * | P | Polyproline II helix | trans | -84.1 | 125.3 | 163.9 | -75.8 | -161.4 | 42 | 0 | 0 | 109.8 | | |
| 385 | Q | 25.7 | Very low | 26.2 | Very low | 165 Ų | 165 | 129.5 Ų | 129.5 | 77% | 0.771 | 74% | 0.74 | S | S | * | * | | | trans | -112.8 | 114.6 | 179.6 | -156.7 | 175.3 | 24.5 | 0 | 0 | 109.3 | | |
| 386 | V | 25.6 | Very low | 26.4 | Very low | 122 Ų | 122 | 127.6 Ų | 127.6 | 74% | 0.739 | 73% | 0.733 | S | S | * | * | | | trans | -101.3 | 108.9 | 177.9 | -178.2 | 0 | 0 | 0 | 0 | 108.5 | V388 | V386-V388 HydrophobicContact CG1-CG2 4.12Š|
| 387 | I | 25.4 | Very low | 26.6 | Very low | 146 Ų | 146 | 126.3 Ų | 126.3 | 75% | 0.749 | 73% | 0.727 | S | S | * | * | | | trans | -93.7 | 118.8 | 177.8 | -57.1 | 176.7 | 0 | 0 | 0 | 108.5 | | |
| 388 | V | 25.2 | Very low | 26.9 | Very low | 108 Ų | 108 | 130 Ų | 130 | 66% | 0.655 | 74% | 0.735 | S | S | * | * | | | trans | -117.1 | 114.8 | 173 | -176.4 | 0 | 0 | 0 | 0 | 108.6 | V386 L395 | V386-V388 HydrophobicContact CG1-CG2 4.12Å; V388-L395 HydrophobicContact CG1-CD1 4.37Å |
| 389 | G | 25.8 | Very low | 27.1 | Very low | 46 Ų | 46 | 128.4 Ų | 128.4 | 47% | 0.474 | 73% | 0.725 | S | S | . | * | | | trans | -112.3 | 133.6 | 173.9 | 0 | 0 | 0 | 0 | 0 | 111.2 | | |
| 390 | Q | 29.9 | Very low | 27.1 | Very low | 155 Ų | 155 | 131.7 Ų | 131.7 | 72% | 0.724 | 72% | 0.724 | S | S | * | * | B | Isolated β-bridge | trans | -99 | 136.8 | 162.8 | -85.2 | -173.9 | -22 | 0 | 0 | 109.7 | | |
| 391 | V | 26.7 | Very low | 27 | Very low | 131 Ų | 131 | 133.4 Ų | 133.4 | 79% | 0.794 | 73% | 0.725 | S | S | * | * | | | trans | -130 | 83.2 | 167.3 | -175.1 | 0 | 0 | 0 | 0 | 107.1 | | |
| 392 | G | 42.3 | Very low | 26.9 | Very low | 53 Ų | 53 | 139 Ų | 139 | 55% | 0.546 | 73% | 0.733 | S | S | . | * | S | Bend | trans | 69.5 | -158.9 | -169 | 0 | 0 | 0 | 0 | 0 | 113.3 | Q394 | G392-Q394 PolarHBondContact O-N 3.08Š|
| 393 | H | 33.7 | Very low | 26.8 | Very low | 207 Ų | 207 | 137.3 Ų | 137.3 | 96% | 0.958 | 73% | 0.727 | S | S | * | * | S | Bend | trans | -78.6 | 47.8 | -174.8 | -69.9 | -89.2 | 0 | 0 | 0 | 114.2 | | |
| 394 | Q | 27.5 | Very low | 26.9 | Very low | 135 Ų | 135 | 136.1 Ų | 136.1 | 63% | 0.631 | 73% | 0.729 | S | S | * | * | | | trans | -134.8 | 141.5 | 162.5 | -70.8 | -163.9 | 28.9 | 0 | 0 | 111 | G392 | G392-Q394 PolarHBondContact O-N 3.08Š|
| 395 | L | 26.9 | Very low | 27 | Very low | 127 Ų | 127 | 134.3 Ų | 134.3 | 67% | 0.665 | 73% | 0.73 | S | S | * | * | B | Isolated β-bridge | trans | -102 | 108.6 | 173.2 | -170.9 | 79.4 | 0 | 0 | 0 | 108.4 | V388 | V388-L395 HydrophobicContact CG1-CD1 4.37Å |
| 396 | V | 26.8 | Very low | 27.2 | Very low | 107 Ų | 107 | 135.3 Ų | 135.3 | 65% | 0.648 | 73% | 0.734 | S | S | * | * | | | trans | -95.6 | 115.2 | 175.5 | -178.3 | 0 | 0 | 0 | 0 | 108.8 | | |
| 397 | Q | 26.7 | Very low | 27.2 | Very low | 156 Ų | 156 | 134.8 Ų | 134.8 | 73% | 0.729 | 74% | 0.737 | S | S | * | * | | | trans | -109.2 | 102.6 | 176.9 | -165.8 | -175.8 | 36.4 | 0 | 0 | 110 | I399 | Q397-I399 HydrophobicContact CG-CD1 4.43Å; Q397-I399 HydrophobicContact CG-CG1 4.05Å |
| 398 | Q | 27.1 | Very low | 27.2 | Very low | 166 Ų | 166 | 137.2 Ų | 137.2 | 78% | 0.776 | 75% | 0.745 | S | S | * | * | | | trans | -98.2 | 96.5 | 175.4 | -171.5 | 171.5 | 3.6 | 0 | 0 | 110.1 | Q400 | Q398-Q400 PolarHBondContact O-N 2.92Š|
| 399 | I | 24.9 | Very low | 27.1 | Very low | 115 Ų | 115 | 135.4 Ų | 135.4 | 59% | 0.59 | 75% | 0.748 | S | S | * | * | | | trans | -85.3 | 109.4 | 176 | -60.3 | 175.1 | 0 | 0 | 0 | 108.8 | Q397 L401 | Q397-I399 HydrophobicContact CG-CD1 4.43Å; Q397-I399 HydrophobicContact CG-CG1 4.05Å; I399-L401 HydrophobicContact CG2-CD1 3.86Å; I399-L401 HydrophobicContact CG2-CG 3.76Å |
| 400 | Q | 24.4 | Very low | 27 | Very low | 169 Ų | 169 | 142.2 Ų | 142.2 | 79% | 0.79 | 77% | 0.767 | S | S | * | * | | | trans | -110.8 | 85.3 | 173.4 | -163 | 167.5 | 33.8 | 0 | 0 | 110.4 | Q398 Q402 | Q398-Q400 PolarHBondContact O-N 2.92Å; Q400-Q402 PolarHBondContact O-N 2.85Å |
| 401 | L | 24.1 | Very low | 26.6 | Very low | 155 Ų | 155 | 140.3 Ų | 140.3 | 81% | 0.812 | 77% | 0.767 | S | S | * | * | | | trans | -75.5 | 114.3 | 176.6 | -75.2 | 157.6 | 0 | 0 | 0 | 110.4 | I399 | I399-L401 HydrophobicContact CG2-CD1 3.86Å; I399-L401 HydrophobicContact CG2-CG 3.76Å |
| 402 | Q | 23.6 | Very low | 26.5 | Very low | 185 Ų | 185 | 142.7 Ų | 142.7 | 86% | 0.864 | 77% | 0.769 | S | S | * | * | P | Polyproline II helix | trans | -83.1 | 129.9 | 159.1 | -72.3 | -170.3 | -5.6 | 0 | 0 | 109.4 | Q400 | Q400-Q402 PolarHBondContact O-N 2.85Š|
| 403 | S | 23.3 | Very low | 25.6 | Very low | 108 Ų | 108 | 146.4 Ų | 146.4 | 76% | 0.755 | 78% | 0.776 | S | S | * | * | P | Polyproline II helix | trans | -71.5 | 134 | 178.5 | -50.6 | 0 | 0 | 0 | 0 | 111.2 | V405 | S403-V405 PolarHBondContact O-N 3.38Š|
| 404 | P | 26.9 | Very low | 25.2 | Very low | 125 Ų | 125 | 144.8 Ų | 144.8 | 81% | 0.812 | 77% | 0.769 | S | S | * | * | P | Polyproline II helix | trans | -65.6 | 132.4 | 165.9 | 28.4 | -33.1 | 0 | 0 | 0 | 109.7 | Q406 | P404-Q406 PolarHBondContact O-N 3.45Š|
| 405 | V | 24.7 | Very low | 25.1 | Very low | 140 Ų | 140 | 147.6 Ų | 147.6 | 85% | 0.848 | 78% | 0.782 | S | S | * | * | P | Polyproline II helix | trans | -68.6 | 122.1 | 178.2 | 175.3 | 0 | 0 | 0 | 0 | 109.6 | S403 S407 | S403-V405 PolarHBondContact O-N 3.38Å; V405-S407 PolarHBondContact O-N 3.31Å |
| 406 | Q | 28.6 | Very low | 24.8 | Very low | 185 Ų | 185 | 149.2 Ų | 149.2 | 86% | 0.864 | 79% | 0.791 | S | S | * | * | P | Polyproline II helix | trans | -73.3 | 116.4 | 172.2 | -76 | -171.9 | -32.4 | 0 | 0 | 111.1 | P404 Q408 | P404-Q406 PolarHBondContact O-N 3.45Å; Q406-Q408 PolarHBondContact O-N 2.81Å; Q406-Q408 VanDerWaalsContact O-N 3.1Å |
| 407 | S | 26.9 | Very low | 24.8 | Very low | 112 Ų | 112 | 149.7 Ų | 149.7 | 78% | 0.783 | 80% | 0.796 | S | S | * | * | | | trans | -83.9 | 77.8 | 171.1 | 57.4 | 0 | 0 | 0 | 0 | 111.7 | V405 | V405-S407 PolarHBondContact O-N 3.31Š|
| 408 | Q | 25.5 | Very low | 24.7 | Very low | 196 Ų | 196 | 150.8 Ų | 150.8 | 92% | 0.916 | 80% | 0.801 | S | S | * | * | | | trans | 66 | 128 | 156.6 | -55.4 | 179.2 | 1.9 | 0 | 0 | 118.2 | Q406 | Q406-Q408 PolarHBondContact O-N 2.81Å; Q406-Q408 VanDerWaalsContact O-N 3.1Å |
| 409 | G | 22.1 | Very low | 24.6 | Very low | 70 Ų | 70 | 150.8 Ų | 150.8 | 72% | 0.722 | 80% | 0.801 | S | S | * | * | | | cis | 176.3 | -168.6 | -3.9 | 0 | 0 | 0 | 0 | 0 | 114.7 | | |
| 410 | Q | 23.9 | Very low | 24.5 | Very low | 189 Ų | 189 | 152.6 Ų | 152.6 | 88% | 0.883 | 81% | 0.81 | S | S | * | * | | | trans | 69.3 | 125.3 | -177.6 | -58.2 | -175.6 | -3.6 | 0 | 0 | 115.2 | | |
| 411 | T | 23 | Very low | 24.4 | Very low | 116 Ų | 116 | 152.4 Ų | 152.4 | 71% | 0.712 | 81% | 0.809 | S | S | * | * | | | cis | -164 | 148.2 | -12.2 | -1.6 | 0 | 0 | 0 | 0 | 109.8 | | |
| 412 | Q | 23.4 | Very low | 24.4 | Very low | 180 Ų | 180 | 151 Ų | 151 | 84% | 0.841 | 81% | 0.807 | S | S | * | * | | | trans | 66 | 145.8 | 158.5 | -72.5 | -176.9 | 11.7 | 0 | 0 | 118.3 | | |
| 413 | N | 23.3 | Very low | 24.4 | Very low | 132 Ų | 132 | 149.9 Ų | 149.9 | 71% | 0.706 | 81% | 0.807 | S | S | * | * | | | cis | -160.9 | 163.8 | -16.6 | -162.5 | 2.8 | 0 | 0 | 0 | 110.8 | | |
| 414 | Q | 25.6 | Very low | 24.5 | Very low | 172 Ų | 172 | 153.9 Ų | 153.9 | 80% | 0.804 | 81% | 0.813 | S | S | * | * | | | trans | 70.7 | 121 | 166 | -61.2 | -179.9 | 100.8 | 0 | 0 | 119.7 | | |
| 415 | Q | 25.3 | Very low | 24.3 | Very low | 194 Ų | 194 | 153.1 Ų | 153.1 | 91% | 0.907 | 80% | 0.802 | S | S | * | * | | | trans | -114.3 | 154.2 | 158 | -68.1 | 172.1 | -97.8 | 0 | 0 | 109.3 | | |
| 416 | L | 21.2 | Very low | 24.5 | Very low | 161 Ų | 161 | 149.7 Ų | 149.7 | 84% | 0.843 | 79% | 0.788 | S | S | * | * | | | trans | -137.5 | 143.4 | 163.2 | -131.7 | 74.6 | 0 | 0 | 0 | 108.3 | | |
| 417 | P | 26.6 | Very low | 24.3 | Very low | 118 Ų | 118 | 147.1 Ų | 147.1 | 77% | 0.766 | 79% | 0.787 | S | S | * | * | | | trans | -84.2 | 153.5 | -170.4 | 33.7 | -34 | 0 | 0 | 0 | 112.6 | | |
| 418 | Q | 24.9 | Very low | 24.7 | Very low | 179 Ų | 179 | 145.7 Ų | 145.7 | 84% | 0.836 | 79% | 0.79 | S | S | * | * | | | trans | -115.5 | 123.1 | 169.7 | -73 | -62.5 | -30.4 | 0 | 0 | 110.1 | | |
| 419 | H | 23.9 | Very low | 24.8 | Very low | 166 Ų | 166 | 143.3 Ų | 143.3 | 77% | 0.769 | 78% | 0.779 | S | S | * | * | | | trans | -97.2 | 106 | -171.9 | -174.3 | -80.5 | 0 | 0 | 0 | 109.7 | | |
| 420 | I | 24 | Very low | 25 | Very low | 152 Ų | 152 | 146 Ų | 146 | 78% | 0.779 | 78% | 0.782 | S | S | * | * | | | trans | -86.2 | 124.4 | -178.7 | -59.2 | 175.7 | 0 | 0 | 0 | 109.5 | T422 | I420-T422 HydrophobicContact CG2-CG2 4.34Š|
| 421 | Q | 22.5 | Very low | 25 | Very low | 166 Ų | 166 | 143.7 Ų | 143.7 | 78% | 0.776 | 78% | 0.775 | S | S | * | * | | | trans | -122.1 | 114.7 | 174 | -167.4 | 163.4 | 19.1 | 0 | 0 | 109.8 | | |
| 422 | T | 23.9 | Very low | 25.1 | Very low | 125 Ų | 125 | 146.2 Ų | 146.2 | 77% | 0.767 | 78% | 0.779 | S | S | * | * | | | trans | -90.6 | 127.6 | -175.2 | 49 | 0 | 0 | 0 | 0 | 112.2 | I420 | I420-T422 HydrophobicContact CG2-CG2 4.34Š|
| 423 | L | 22.5 | Very low | 25.1 | Very low | 162 Ų | 162 | 143.2 Ų | 143.2 | 85% | 0.848 | 77% | 0.774 | S | S | * | * | | | trans | -99.2 | 145.4 | 162.2 | -113.2 | 73.2 | 0 | 0 | 0 | 110 | | |
| 424 | Q | 25.8 | Very low | 25 | Very low | 192 Ų | 192 | 145 Ų | 145 | 90% | 0.897 | 78% | 0.782 | S | S | * | * | | | trans | -122.9 | 129.3 | -172.3 | -165.4 | 172.1 | 7.4 | 0 | 0 | 110 | | |
| 425 | L | 24 | Very low | 25 | Very low | 108 Ų | 108 | 145.4 Ų | 145.4 | 57% | 0.565 | 78% | 0.784 | S | S | * | * | | | trans | -134.4 | 142.9 | -174.8 | -76.1 | 165.2 | 0 | 0 | 0 | 111 | L431 | L425-L431 HydrophobicContact CD1-CD1 3.91Å; L425-L431 HydrophobicContact CD1-CD2 4.24Å; L425-L431 HydrophobicContact CD1-CG 4.3Å |
| 426 | A | 27.3 | Very low | 25 | Very low | 68 Ų | 68 | 140.5 Ų | 140.5 | 56% | 0.562 | 78% | 0.777 | S | S | * | * | | | trans | -93.9 | 159.5 | -177 | 0 | 0 | 0 | 0 | 0 | 112.6 | G428 | A426-G428 PolarHBondContact O-N 3.09Š|
| 427 | P | 26 | Very low | 25.2 | Very low | 131 Ų | 131 | 143 Ų | 143 | 85% | 0.851 | 78% | 0.781 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -59.4 | 135.6 | 179.7 | -22.8 | 34.1 | 0 | 0 | 0 | 112.8 | | |
| 428 | G | 33.8 | Very low | 25.3 | Very low | 82 Ų | 82 | 146.6 Ų | 146.6 | 85% | 0.845 | 79% | 0.788 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 99.8 | -7.9 | 173.6 | 0 | 0 | 0 | 0 | 0 | 116.4 | A426 | A426-G428 PolarHBondContact O-N 3.09Š|
| 429 | Q | 27.1 | Very low | 25.5 | Very low | 147 Ų | 147 | 143.9 Ų | 143.9 | 69% | 0.687 | 78% | 0.779 | S | S | * | * | | | trans | -81.3 | 128.6 | 175.2 | -75.4 | -70.6 | -1 | 0 | 0 | 112.7 | | |
| 430 | T | 26.3 | Very low | 25.7 | Very low | 127 Ų | 127 | 142.7 Ų | 142.7 | 78% | 0.779 | 79% | 0.786 | S | S | * | * | | | trans | -99.9 | 114.5 | 169 | 8.1 | 0 | 0 | 0 | 0 | 110.1 | Q432 | T430-Q432 PolarHBondContact O-N 2.68Š|
| 431 | L | 24.7 | Very low | 26.1 | Very low | 139 Ų | 139 | 139.2 Ų | 139.2 | 73% | 0.728 | 78% | 0.78 | S | S | * | * | | | trans | -69.5 | 122.5 | 173.4 | -68.4 | 173.4 | 0 | 0 | 0 | 110.7 | L425 | L425-L431 HydrophobicContact CD1-CD1 3.91Å; L425-L431 HydrophobicContact CD1-CD2 4.24Å; L425-L431 HydrophobicContact CD1-CG 4.3Å |
| 432 | Q | 24.9 | Very low | 26.4 | Very low | 170 Ų | 170 | 139.8 Ų | 139.8 | 79% | 0.794 | 78% | 0.783 | S | S | * | * | | | trans | -70.8 | 145.3 | 163.4 | -74.6 | -76.7 | -10.4 | 0 | 0 | 109.7 | T430 I434 | T430-Q432 PolarHBondContact O-N 2.68Å; Q432-I434 PolarHBondContact O-N 2.83Å |
| 433 | P | 23 | Very low | 26.7 | Very low | 116 Ų | 116 | 140.3 Ų | 140.3 | 75% | 0.753 | 79% | 0.786 | S | S | * | * | | | trans | -75.8 | 108.8 | -174.6 | 29.9 | -33.7 | 0 | 0 | 0 | 112 | | |
| 434 | I | 22 | Very low | 26.8 | Very low | 169 Ų | 169 | 140.9 Ų | 140.9 | 87% | 0.867 | 79% | 0.788 | S | S | * | * | | | trans | -92.5 | 147.5 | 163.7 | -62.3 | 179.2 | 0 | 0 | 0 | 108.6 | Q432 | Q432-I434 PolarHBondContact O-N 2.83Š|
| 435 | Q | 24.8 | Very low | 26.9 | Very low | 181 Ų | 181 | 138.3 Ų | 138.3 | 85% | 0.846 | 78% | 0.78 | S | S | * | * | | | trans | -76.9 | 148.3 | -154.5 | -63.6 | 168.1 | -64.2 | 0 | 0 | 115.5 | | |
| 436 | A | 26 | Very low | 27.2 | Very low | 91 Ų | 91 | 142.1 Ų | 142.1 | 75% | 0.752 | 79% | 0.786 | S | S | * | * | | | trans | 55.7 | 91.5 | 150.2 | 0 | 0 | 0 | 0 | 0 | 119 | | |
| 437 | F | 25.3 | Very low | 27.3 | Very low | 213 Ų | 213 | 142.7 Ų | 142.7 | 93% | 0.934 | 79% | 0.791 | S | S | * | * | | | trans | -101.5 | 126.8 | 143.9 | -85.6 | -90.3 | 0 | 0 | 0 | 109.6 | N439 | F437-N439 PolarHBondContact O-N 3.33Š|
| 438 | Q | 29.3 | Very low | 27.6 | Very low | 195 Ų | 195 | 139.4 Ų | 139.4 | 91% | 0.911 | 77% | 0.77 | S | S | * | * | | | trans | -83.4 | 90.3 | -177.8 | -65 | -171.2 | 20.5 | 0 | 0 | 111.4 | | |
| 439 | N | 28 | Very low | 27.5 | Very low | 122 Ų | 122 | 139.5 Ų | 139.5 | 65% | 0.652 | 75% | 0.754 | S | S | * | * | | | trans | -155.4 | 111.6 | 162.6 | -149 | -29.2 | 0 | 0 | 0 | 111.7 | F437 A441 | F437-N439 PolarHBondContact O-N 3.33Å; N439-A441 PolarHBondContact O-N 3.15Å; N439-A441 VanDerWaalsContact O-N 3.15Å |
| 440 | P | 28.5 | Very low | 27.6 | Very low | 140 Ų | 140 | 138.4 Ų | 138.4 | 91% | 0.909 | 75% | 0.752 | S | S | * | * | | | trans | -83.5 | 18.4 | -168.6 | 35 | -37.8 | 0 | 0 | 0 | 114.9 | | |
| 441 | A | 31.8 | Very low | 28.1 | Very low | 80 Ų | 80 | 134.3 Ų | 134.3 | 66% | 0.661 | 73% | 0.728 | S | S | * | * | | | trans | -127.9 | 30.9 | -161.6 | 0 | 0 | 0 | 0 | 0 | 115.4 | N439 | N439-A441 PolarHBondContact O-N 3.15Å; N439-A441 VanDerWaalsContact O-N 3.15Å |
| 442 | Q | 30.5 | Very low | 28.3 | Very low | 178 Ų | 178 | 134.3 Ų | 134.3 | 83% | 0.832 | 74% | 0.74 | S | S | * | * | | | trans | -131.8 | 125.4 | 174 | -66.9 | -169.8 | -1.9 | 0 | 0 | 112.5 | | |
| 443 | V | 28.6 | Very low | 28.5 | Very low | 136 Ų | 136 | 131 Ų | 131 | 82% | 0.824 | 74% | 0.736 | S | S | * | * | | | trans | -94 | 115.4 | 172.7 | 178.2 | 0 | 0 | 0 | 0 | 108.6 | I445 | V443-I445 HydrophobicContact CG1-CG1 4.3Å; V443-I445 PolarHBondContact O-N 2.83Å |
| 444 | L | 25.3 | Very low | 28.9 | Very low | 173 Ų | 173 | 128.1 Ų | 128.1 | 91% | 0.906 | 73% | 0.727 | S | S | * | * | | | trans | -84.8 | 99.1 | -178.9 | -167.8 | 77.1 | 0 | 0 | 0 | 111 | | |
| 445 | I | 28 | Very low | 29.1 | Very low | 139 Ų | 139 | 126.6 Ų | 126.6 | 71% | 0.713 | 72% | 0.716 | S | S | * | * | P | Polyproline II helix | trans | -90.9 | 121.1 | 168.6 | -55.9 | -179.9 | 0 | 0 | 0 | 108.5 | V443 | V443-I445 HydrophobicContact CG1-CG1 4.3Å; V443-I445 PolarHBondContact O-N 2.83Å |
| 446 | R | 31 | Very low | 29.3 | Very low | 188 Ų | 188 | 122.9 Ų | 122.9 | 71% | 0.709 | 70% | 0.701 | S | S | * | * | P | Polyproline II helix | trans | -75.7 | 135.6 | 176.6 | -165.4 | 178.2 | -175.3 | -148.8 | 1.1 | 109.8 | | |
| 447 | A | 27.8 | Very low | 29.4 | Very low | 79 Ų | 79 | 122.2 Ų | 122.2 | 65% | 0.653 | 69% | 0.688 | S | S | * | * | P | Polyproline II helix | trans | -59.7 | 143.2 | 178.9 | 0 | 0 | 0 | 0 | 0 | 111.8 | | |
| 448 | P | 32.3 | Very low | 29.9 | Very low | 63 Ų | 63 | 120.6 Ų | 120.6 | 41% | 0.409 | 68% | 0.676 | S | S | . | * | P | Polyproline II helix | trans | -66.5 | 139.1 | 179.8 | 27.2 | -34.5 | 0 | 0 | 0 | 111.5 | I456 W458 | P448-I456 HydrophobicContact CB-CG2 3.88Å; P448-W458 HydrophobicContact CB-CD2 4.38Å; P448-W458 HydrophobicContact CB-CE3 4.06Å; P448-W458 HydrophobicContact CB-CH2 3.92Å; P448-W458 HydrophobicContact CB-CZ2 4.23Å; P448-W458 HydrophobicContact CB-CZ3 3.83Å; P448-W458 HydrophobicContact CG-CH2 3.78Å; P448-W458 HydrophobicContact CG-CZ2 4.38Å; P448-W458 HydrophobicContact CG-CZ3 3.94Å |
| 449 | T | 33.2 | Very low | 29.9 | Very low | 84 Ų | 84 | 119.2 Ų | 119.2 | 52% | 0.515 | 67% | 0.669 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -94.9 | 121.4 | 175.2 | 46.9 | 0 | 0 | 0 | 0 | 110.6 | | |
| 450 | L | 28.6 | Very low | 29.9 | Very low | 124 Ų | 124 | 120 Ų | 120 | 65% | 0.649 | 68% | 0.679 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -77.9 | 130.3 | 170.7 | -165.7 | 75.5 | 0 | 0 | 0 | 109.5 | I456 | L450-I456 HydrophobicContact CD1-CG1 3.69Å |
| 451 | S | 35.8 | Very low | 29.7 | Very low | 40 Ų | 40 | 120.8 Ų | 120.8 | 28% | 0.28 | 67% | 0.674 | S | S | . | * | P | Polyproline II helix | trans | -74.7 | 159.2 | 169.8 | 71.4 | 0 | 0 | 0 | 0 | 111.3 | S453 G454 Q455 | S451-S453 PolarHBondContact O-N 3.24Å; S451-S453 VanDerWaalsContact O-N 3.11Å; S451-S453 PolarHBondContact OG-N 2.71Å; S451-S453 PolarHBondContact OG-OG 3Å; S451-G454 PolarHBondContact O-N 2.89Å; S451-G454 PolarHBondContact OG-N 2.86Å; S451-Q455 PolarHBondContact N-O 3.48Å; S451-Q455 PolarHBondContact OG-N 2.98Å; S451-Q455 PolarHBondContact OG-O 2.87Å |
| 452 | S | 30.3 | Very low | 29.3 | Very low | 140 Ų | 140 | 125.9 Ų | 125.9 | 98% | 0.979 | 68% | 0.684 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -63.9 | -9.3 | 168.4 | 49.2 | 0 | 0 | 0 | 0 | 113.8 | | |
| 453 | S | 29.3 | Very low | 29 | Very low | 101 Ų | 101 | 124.2 Ų | 124.2 | 71% | 0.706 | 68% | 0.68 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -96.8 | 7.2 | 170.8 | 56.1 | 0 | 0 | 0 | 0 | 114 | S451 Q455 | S451-S453 PolarHBondContact O-N 3.24Å; S451-S453 VanDerWaalsContact O-N 3.11Å; S451-S453 PolarHBondContact OG-N 2.71Å; S451-S453 PolarHBondContact OG-OG 3Å; S453-Q455 PolarHBondContact O-N 2.9Å |
| 454 | G | 31.3 | Very low | 28.8 | Very low | 54 Ų | 54 | 123.7 Ų | 123.7 | 56% | 0.557 | 68% | 0.68 | S | S | * | * | S | Bend | trans | 78.7 | 10.6 | 174.6 | 0 | 0 | 0 | 0 | 0 | 115.8 | S451 | S451-G454 PolarHBondContact O-N 2.89Å; S451-G454 PolarHBondContact OG-N 2.86Å |
| 455 | Q | 24.8 | Very low | 28.9 | Very low | 137 Ų | 137 | 119.5 Ų | 119.5 | 64% | 0.64 | 68% | 0.678 | S | S | * | * | | | trans | -89.3 | 142.6 | 173 | -71.6 | -137.5 | -38.6 | 0 | 0 | 111.9 | S451 S453 | S451-Q455 PolarHBondContact N-O 3.48Å; S451-Q455 PolarHBondContact OG-N 2.98Å; S451-Q455 PolarHBondContact OG-O 2.87Å; S453-Q455 PolarHBondContact O-N 2.9Å |
| 456 | I | 30.5 | Very low | 29.2 | Very low | 104 Ų | 104 | 116.6 Ų | 116.6 | 53% | 0.533 | 68% | 0.683 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -98.3 | 120.3 | 174.8 | -61.9 | 172.7 | 0 | 0 | 0 | 107.9 | P448 L450 W458 | P448-I456 HydrophobicContact CB-CG2 3.88Å; L450-I456 HydrophobicContact CD1-CG1 3.69Å; I456-W458 HydrophobicContact CG2-CZ2 4.29Å |
| 457 | T | 27.8 | Very low | 28.9 | Very low | 76 Ų | 76 | 114 Ų | 114 | 47% | 0.466 | 69% | 0.688 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -113.8 | 142.9 | 175.8 | 55.6 | 0 | 0 | 0 | 0 | 111.6 | | |
| 458 | W | 35.2 | Very low | 28.9 | Very low | 180 Ų | 180 | 116 Ų | 116 | 68% | 0.682 | 70% | 0.696 | S | S | * | * | | | trans | -114.3 | 129 | 177.3 | -56.6 | 93.9 | 0 | 0 | 0 | 108.9 | P448 I456 | P448-W458 HydrophobicContact CB-CD2 4.38Å; P448-W458 HydrophobicContact CB-CE3 4.06Å; P448-W458 HydrophobicContact CB-CH2 3.92Å; P448-W458 HydrophobicContact CB-CZ2 4.23Å; P448-W458 HydrophobicContact CB-CZ3 3.83Å; P448-W458 HydrophobicContact CG-CH2 3.78Å; P448-W458 HydrophobicContact CG-CZ2 4.38Å; P448-W458 HydrophobicContact CG-CZ3 3.94Å; I456-W458 HydrophobicContact CG2-CZ2 4.29Å |
| 459 | Q | 30.5 | Very low | 28.6 | Very low | 166 Ų | 166 | 121.1 Ų | 121.1 | 78% | 0.776 | 72% | 0.719 | S | S | * | * | | | trans | -98.5 | 112.9 | 171.6 | -78.5 | -173.7 | -32.9 | 0 | 0 | 110 | L461 | Q459-L461 PolarHBondContact O-N 3.43Š|
| 460 | T | 27.1 | Very low | 28.5 | Very low | 139 Ų | 139 | 126.7 Ų | 126.7 | 85% | 0.853 | 74% | 0.74 | S | S | * | * | P | Polyproline II helix | trans | -75.9 | 118.7 | 173.7 | -42.1 | 0 | 0 | 0 | 0 | 109.9 | | |
| 461 | L | 23.4 | Very low | 28.3 | Very low | 155 Ų | 155 | 124.4 Ų | 124.4 | 81% | 0.812 | 75% | 0.746 | S | S | * | * | P | Polyproline II helix | trans | -89.5 | 125.5 | 171.5 | -159.6 | 81.6 | 0 | 0 | 0 | 109.6 | Q459 | Q459-L461 PolarHBondContact O-N 3.43Š|
| 462 | Q | 24.9 | Very low | 28 | Very low | 187 Ų | 187 | 126.1 Ų | 126.1 | 87% | 0.874 | 77% | 0.77 | S | S | * | * | P | Polyproline II helix | trans | -95.3 | 118.1 | -178.8 | -169.2 | 171.2 | -3.7 | 0 | 0 | 110.2 | | |
| 463 | L | 24.5 | Very low | 27.8 | Very low | 143 Ų | 143 | 127.9 Ų | 127.9 | 75% | 0.749 | 77% | 0.768 | S | S | * | * | P | Polyproline II helix | trans | -87.4 | 138.2 | -178 | -73.1 | 168.2 | 0 | 0 | 0 | 111.9 | | |
| 464 | P | 24.1 | Very low | 28.1 | Very low | 125 Ų | 125 | 127.4 Ų | 127.4 | 81% | 0.812 | 78% | 0.779 | S | S | * | * | P | Polyproline II helix | trans | -66.9 | 142.5 | 165 | -12.4 | 27.7 | 0 | 0 | 0 | 110.3 | | |
| 465 | G | 26.6 | Very low | 27.8 | Very low | 85 Ų | 85 | 129.4 Ų | 129.4 | 88% | 0.876 | 79% | 0.79 | S | S | * | * | P | Polyproline II helix | trans | -86.5 | 163.9 | -173.4 | 0 | 0 | 0 | 0 | 0 | 115.2 | | |
| 466 | G | 35.2 | Very low | 28 | Very low | 78 Ų | 78 | 127.8 Ų | 127.8 | 80% | 0.804 | 80% | 0.8 | S | S | * | * | | | trans | 113.2 | 76.5 | 159.9 | 0 | 0 | 0 | 0 | 0 | 116.5 | | |
| 467 | V | 24.1 | Very low | 27.8 | Very low | 135 Ų | 135 | 128.4 Ų | 128.4 | 82% | 0.818 | 81% | 0.808 | S | S | * | * | | | trans | -137.2 | 124.8 | 157.9 | -176.1 | 0 | 0 | 0 | 0 | 109.1 | | |
| 468 | S | 28.3 | Very low | 27.8 | Very low | 119 Ų | 119 | 130.3 Ų | 130.3 | 83% | 0.832 | 82% | 0.822 | S | S | * | * | | | trans | -103.3 | 130.8 | 171.8 | -61.6 | 0 | 0 | 0 | 0 | 109.5 | | |
| 469 | L | 25.7 | Very low | 27.5 | Very low | 171 Ų | 171 | 130 Ų | 130 | 90% | 0.895 | 83% | 0.828 | S | S | * | * | | | trans | -108 | 108.8 | 172.4 | -70.5 | 176.6 | 0 | 0 | 0 | 110 | | |
| 470 | Q | 30.3 | Very low | 27.3 | Very low | 201 Ų | 201 | 128.4 Ų | 128.4 | 94% | 0.939 | 82% | 0.821 | S | S | * | * | | | trans | -120.5 | 96.1 | 175 | -175.6 | 175.1 | -0.7 | 0 | 0 | 108.6 | | |
| 471 | G | 24.8 | Very low | 27.3 | Very low | 76 Ų | 76 | 128 Ų | 128 | 78% | 0.784 | 81% | 0.813 | S | S | * | * | | | trans | -170.1 | 137.1 | -179 | 0 | 0 | 0 | 0 | 0 | 109.8 | | |
| 472 | G | 29.2 | Very low | 27.5 | Very low | 77 Ų | 77 | 124.6 Ų | 124.6 | 79% | 0.794 | 80% | 0.799 | S | S | * | * | | | trans | -91.3 | -171.9 | -171.9 | 0 | 0 | 0 | 0 | 0 | 115 | | |
| 473 | L | 25.8 | Very low | 27.6 | Very low | 177 Ų | 177 | 121.7 Ų | 121.7 | 93% | 0.927 | 79% | 0.788 | S | S | * | * | S | Bend | trans | 76.8 | 73.2 | 175 | -52.1 | 179.7 | 0 | 0 | 0 | 116.6 | | |
| 474 | G | 35.8 | Very low | 27.6 | Very low | 90 Ų | 90 | 118.8 Ų | 118.8 | 93% | 0.928 | 79% | 0.785 | S | S | * | * | | | trans | 48.9 | 79.1 | 135 | 0 | 0 | 0 | 0 | 0 | 119.1 | | |
| 475 | A | 26 | Very low | 27.7 | Very low | 97 Ų | 97 | 117.8 Ų | 117.8 | 80% | 0.802 | 78% | 0.778 | S | S | * | * | | | trans | -123.4 | 147.4 | 160.3 | 0 | 0 | 0 | 0 | 0 | 110.1 | V477 | A475-V477 PolarHBondContact O-N 2.69Š|
| 476 | A | 28.9 | Very low | 27.7 | Very low | 103 Ų | 103 | 120.7 Ų | 120.7 | 85% | 0.851 | 78% | 0.779 | S | S | * | * | | | trans | -73 | 125.9 | -172.6 | 0 | 0 | 0 | 0 | 0 | 112.5 | | |
| 477 | V | 26.3 | Very low | 27.6 | Very low | 116 Ų | 116 | 120.8 Ų | 120.8 | 70% | 0.703 | 77% | 0.772 | S | S | * | * | | | trans | -82.7 | 123.7 | 170.6 | 179.5 | 0 | 0 | 0 | 0 | 109 | A475 Q479 | A475-V477 PolarHBondContact O-N 2.69Å; V477-Q479 PolarHBondContact O-N 2.97Å; V477-Q479 VanDerWaalsContact O-N 3.14Å |
| 478 | P | 27.2 | Very low | 28 | Very low | 116 Ų | 116 | 118.4 Ų | 118.4 | 75% | 0.753 | 78% | 0.775 | S | S | * | * | | | trans | -71.6 | 106.5 | 174.5 | 28.6 | -32.9 | 0 | 0 | 0 | 110.2 | Q480 | P478-Q480 PolarHBondContact O-N 2.86Å; P478-Q480 VanDerWaalsContact O-N 3.14Å |
| 479 | Q | 28.5 | Very low | 28 | Very low | 175 Ų | 175 | 116 Ų | 116 | 82% | 0.818 | 77% | 0.769 | S | S | * | * | | | trans | -80.4 | 19.1 | -175.3 | -63.4 | -172.3 | -9.7 | 0 | 0 | 114.5 | V477 | V477-Q479 PolarHBondContact O-N 2.97Å; V477-Q479 VanDerWaalsContact O-N 3.14Å |
| 480 | Q | 27 | Very low | 28.2 | Very low | 132 Ų | 132 | 114.6 Ų | 114.6 | 62% | 0.617 | 77% | 0.768 | S | S | * | * | | | trans | -146.5 | 120 | -171.9 | -159.8 | 170.7 | 19.9 | 0 | 0 | 112.1 | P478 | P478-Q480 PolarHBondContact O-N 2.86Å; P478-Q480 VanDerWaalsContact O-N 3.14Å |
| 481 | L | 26.8 | Very low | 28.1 | Very low | 131 Ų | 131 | 109.9 Ų | 109.9 | 69% | 0.686 | 76% | 0.763 | S | S | * | * | | | trans | -102.7 | 99.4 | 172.1 | -168 | 81.7 | 0 | 0 | 0 | 109.2 | | |
| 482 | T | 28.4 | Very low | 28.2 | Very low | 83 Ų | 83 | 113.8 Ų | 113.8 | 51% | 0.509 | 77% | 0.765 | S | S | . | * | | | trans | -91 | 111.8 | -179 | -55.5 | 0 | 0 | 0 | 0 | 110.7 | | |
| 483 | L | 26.1 | Very low | 28.1 | Very low | 125 Ų | 125 | 113.1 Ų | 113.1 | 65% | 0.654 | 76% | 0.758 | S | S | * | * | | | trans | -95.8 | 110.5 | 171.5 | -66.4 | 174.2 | 0 | 0 | 0 | 109.6 | | |
| 484 | A | 24.9 | Very low | 28.3 | Very low | 83 Ų | 83 | 111 Ų | 111 | 69% | 0.686 | 76% | 0.758 | S | S | * | * | | | trans | -92.5 | 125.1 | 175.8 | 0 | 0 | 0 | 0 | 0 | 110.7 | V486 | A484-V486 PolarHBondContact O-N 3.09Š|
| 485 | P | 26.2 | Very low | 28.3 | Very low | 103 Ų | 103 | 110.5 Ų | 110.5 | 67% | 0.669 | 75% | 0.754 | S | S | * | * | | | trans | -74 | 125 | 171.8 | 29.8 | -32.3 | 0 | 0 | 0 | 110.3 | A487 | P485-A487 PolarHBondContact O-N 2.82Š|
| 486 | V | 26 | Very low | 28.3 | Very low | 147 Ų | 147 | 109 Ų | 109 | 89% | 0.891 | 75% | 0.748 | S | S | * | * | | | trans | -76.7 | 90.8 | 173.5 | -178.5 | 0 | 0 | 0 | 0 | 109 | A484 G488 | A484-V486 PolarHBondContact O-N 3.09Å; V486-G488 PolarHBondContact O-N 3.06Å |
| 487 | A | 32.3 | Very low | 28.2 | Very low | 80 Ų | 80 | 110.3 Ų | 110.3 | 66% | 0.661 | 74% | 0.74 | S | S | * | * | | | trans | -75.6 | 82.9 | -179.7 | 0 | 0 | 0 | 0 | 0 | 111.9 | P485 G489 | P485-A487 PolarHBondContact O-N 2.82Å; A487-G489 PolarHBondContact O-N 2.78Å; A487-G489 VanDerWaalsContact O-N 3.11Å |
| 488 | G | 32.4 | Very low | 28.3 | Very low | 85 Ų | 85 | 110 Ų | 110 | 88% | 0.876 | 74% | 0.738 | S | S | * | * | | | trans | -78.9 | 76 | 170.1 | 0 | 0 | 0 | 0 | 0 | 112.3 | V486 | V486-G488 PolarHBondContact O-N 3.06Š|
| 489 | G | 29.3 | Very low | 28.3 | Very low | 68 Ų | 68 | 109.6 Ų | 109.6 | 70% | 0.701 | 74% | 0.738 | S | S | * | * | | | trans | -168.3 | 129.7 | 176.2 | 0 | 0 | 0 | 0 | 0 | 113.2 | A487 | A487-G489 PolarHBondContact O-N 2.78Å; A487-G489 VanDerWaalsContact O-N 3.11Å |
| 490 | T | 30.4 | Very low | 28.4 | Very low | 142 Ų | 142 | 108.6 Ų | 108.6 | 87% | 0.871 | 74% | 0.737 | S | S | * | * | P | Polyproline II helix | trans | -83.6 | 140.1 | 177.6 | 40.9 | 0 | 0 | 0 | 0 | 111.6 | | |
| 491 | A | 26.8 | Very low | 28.4 | Very low | 102 Ų | 102 | 108 Ų | 108 | 84% | 0.843 | 75% | 0.747 | S | S | * | * | P | Polyproline II helix | trans | -84 | 131.9 | 173.1 | 0 | 0 | 0 | 0 | 0 | 110.7 | | |
| 492 | L | 28.8 | Very low | 28.5 | Very low | 157 Ų | 157 | 105 Ų | 105 | 82% | 0.822 | 75% | 0.748 | S | S | * | * | P | Polyproline II helix | trans | -97.3 | 152.1 | 166.6 | -82.5 | 164.7 | 0 | 0 | 0 | 110.4 | | |
| 493 | G | 26.3 | Very low | 28.5 | Very low | 64 Ų | 64 | 107.1 Ų | 107.1 | 66% | 0.66 | 76% | 0.761 | S | S | * | * | S | Bend | trans | -65.2 | 158.2 | -172.8 | 0 | 0 | 0 | 0 | 0 | 114.7 | | |
| 494 | S | 30.3 | Very low | 28.6 | Very low | 131 Ų | 131 | 104.8 Ų | 104.8 | 92% | 0.916 | 75% | 0.753 | S | S | * | * | S | Bend | trans | 55.2 | 86.8 | 172.8 | 50.4 | 0 | 0 | 0 | 0 | 116.9 | | |
| 495 | G | 34.9 | Very low | 28.8 | Very low | 81 Ų | 81 | 107.2 Ų | 107.2 | 84% | 0.835 | 75% | 0.754 | S | S | * | * | | | trans | 96.6 | 4.8 | 150.5 | 0 | 0 | 0 | 0 | 0 | 118.5 | L497 | G495-L497 PolarHBondContact O-N 2.59Š|
| 496 | G | 26.1 | Very low | 28.8 | Very low | 66 Ų | 66 | 108 Ų | 108 | 68% | 0.68 | 76% | 0.757 | S | S | * | * | | | trans | -71.2 | 112.9 | -179.8 | 0 | 0 | 0 | 0 | 0 | 114.5 | | |
| 497 | L | 27 | Very low | 29 | Very low | 130 Ų | 130 | 108 Ų | 108 | 68% | 0.681 | 75% | 0.751 | S | S | * | * | | | trans | -83 | 123.6 | 164.6 | -72.4 | 171.9 | 0 | 0 | 0 | 110.3 | G495 Q532 | G495-L497 PolarHBondContact O-N 2.59Å; L497-Q532 HydrophobicContact CD2-CB 4.16Å; L497-Q532 HydrophobicContact CD2-CG 4.2Å |
| 498 | V | 29.1 | Very low | 28.7 | Very low | 109 Ų | 109 | 109.2 Ų | 109.2 | 66% | 0.661 | 76% | 0.755 | S | S | * | * | | | trans | -87.9 | 115.8 | 173.6 | -179.5 | 0 | 0 | 0 | 0 | 109.6 | | |
| 499 | S | 27.6 | Very low | 28.8 | Very low | 108 Ų | 108 | 108.1 Ų | 108.1 | 76% | 0.755 | 74% | 0.738 | S | S | * | * | | | trans | -99.7 | 118.8 | 176.3 | -172 | 0 | 0 | 0 | 0 | 111 | | |
| 500 | L | 29.5 | Very low | 28.9 | Very low | 154 Ų | 154 | 108.5 Ų | 108.5 | 81% | 0.806 | 73% | 0.734 | S | S | * | * | | | trans | -95.3 | 88.4 | 175.5 | -68.6 | 173.4 | 0 | 0 | 0 | 110.2 | G502 | L500-G502 PolarHBondContact O-N 3.25Š|
| 501 | S | 26.8 | Very low | 29 | Very low | 119 Ų | 119 | 111.1 Ų | 111.1 | 83% | 0.832 | 74% | 0.737 | S | S | * | * | | | trans | -86.2 | 100.2 | 172.7 | 57.9 | 0 | 0 | 0 | 0 | 111 | | |
| 502 | G | 29.7 | Very low | 29.3 | Very low | 67 Ų | 67 | 112.4 Ų | 112.4 | 69% | 0.691 | 73% | 0.728 | S | S | * | * | | | trans | -141 | 158.8 | 176.9 | 0 | 0 | 0 | 0 | 0 | 112.1 | L500 | L500-G502 PolarHBondContact O-N 3.25Š|
| 503 | T | 27.4 | Very low | 29.3 | Very low | 128 Ų | 128 | 111 Ų | 111 | 79% | 0.785 | 72% | 0.722 | S | S | * | * | | | trans | -66.7 | 153.3 | -178.3 | 40.3 | 0 | 0 | 0 | 0 | 112.8 | | |
| 504 | P | 28.6 | Very low | 29.6 | Very low | 76 Ų | 76 | 114.4 Ų | 114.4 | 49% | 0.494 | 73% | 0.732 | S | S | . | * | | | trans | -63.8 | 139.1 | 179.5 | 26.7 | -35.1 | 0 | 0 | 0 | 111.9 | T506 | P504-T506 PolarHBondContact O-N 3.35Š|
| 505 | L | 28.5 | Very low | 29.8 | Very low | 135 Ų | 135 | 112 Ų | 112 | 71% | 0.707 | 73% | 0.727 | S | S | * | * | | | trans | -80.4 | 98.4 | 179.1 | -70.3 | 169.9 | 0 | 0 | 0 | 111 | L507 | L505-L507 PolarHBondContact O-N 3.45Š|
| 506 | T | 27.6 | Very low | 29.7 | Very low | 118 Ų | 118 | 111.5 Ų | 111.5 | 72% | 0.724 | 71% | 0.711 | S | S | * | * | | | trans | -81.2 | 104.9 | 176.6 | -18.3 | 0 | 0 | 0 | 0 | 111.4 | P504 | P504-T506 PolarHBondContact O-N 3.35Š|
| 507 | L | 28.9 | Very low | 30.1 | Very low | 147 Ų | 147 | 111.7 Ų | 111.7 | 77% | 0.77 | 71% | 0.713 | S | S | * | * | | | trans | -89.9 | 105.9 | 168.7 | -69.6 | 174.3 | 0 | 0 | 0 | 109.6 | L505 | L505-L507 PolarHBondContact O-N 3.45Š|
| 508 | S | 26.9 | Very low | 30.2 | Very low | 107 Ų | 107 | 111 Ų | 111 | 75% | 0.748 | 71% | 0.714 | S | S | * | * | | | trans | -81 | 116.8 | 177.2 | -168.6 | 0 | 0 | 0 | 0 | 110.7 | A510 | S508-A510 PolarHBondContact O-N 3.1Š|
| 509 | A | 34.8 | Very low | 30.5 | Very low | 62 Ų | 62 | 114.3 Ų | 114.3 | 51% | 0.512 | 72% | 0.722 | S | S | . | * | | | trans | -80.3 | 61 | -173.8 | 0 | 0 | 0 | 0 | 0 | 113.2 | | |
| 510 | A | 30.9 | Very low | 30.6 | Very low | 76 Ų | 76 | 113.5 Ų | 113.5 | 63% | 0.628 | 71% | 0.713 | S | S | * | * | | | trans | -101.4 | 136.4 | 165.7 | 0 | 0 | 0 | 0 | 0 | 109.9 | S508 | S508-A510 PolarHBondContact O-N 3.1Š|
| 511 | Q | 33.2 | Very low | 30.5 | Very low | 197 Ų | 197 | 111.7 Ų | 111.7 | 92% | 0.921 | 71% | 0.708 | S | S | * | * | S | Bend | trans | 71.5 | 32.1 | 177.4 | -51.6 | -175 | -20.1 | 0 | 0 | 117.7 | | |
| 512 | I | 32 | Very low | 30.6 | Very low | 128 Ų | 128 | 108.3 Ų | 108.3 | 66% | 0.656 | 69% | 0.685 | S | S | * | * | | | trans | -91.7 | 119.8 | 155.7 | -58.1 | 179.7 | 0 | 0 | 0 | 108.4 | | |
| 513 | N | 30.4 | Very low | 30.5 | Very low | 129 Ų | 129 | 112.4 Ų | 112.4 | 69% | 0.69 | 69% | 0.689 | S | S | * | * | | | trans | -76.9 | 134.8 | 179 | -131.7 | -16.4 | 0 | 0 | 0 | 109.3 | G515 S516 | N513-G515 PolarHBondContact O-N 3.33Å; N513-S516 PolarHBondContact O-N 3.28Å; N513-S516 PolarHBondContact O-OG 2.84Å |
| 514 | P | 31.1 | Very low | 30.4 | Very low | 134 Ų | 134 | 109.9 Ų | 109.9 | 87% | 0.87 | 68% | 0.681 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -77.5 | 37.6 | -168.7 | 33 | -37.3 | 0 | 0 | 0 | 114.5 | | |
| 515 | G | 35.1 | Very low | 30.3 | Very low | 80 Ų | 80 | 109.6 Ų | 109.6 | 83% | 0.825 | 69% | 0.692 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -142.6 | -6.1 | 179 | 0 | 0 | 0 | 0 | 0 | 115.4 | N513 | N513-G515 PolarHBondContact O-N 3.33Š|
| 516 | S | 32.9 | Very low | 30.2 | Very low | 72 Ų | 72 | 110.2 Ų | 110.2 | 50% | 0.503 | 70% | 0.695 | S | S | . | * | S | Bend | trans | -99.4 | 104.2 | 176.2 | 55.1 | 0 | 0 | 0 | 0 | 111.2 | N513 V518 | N513-S516 PolarHBondContact O-N 3.28Å; N513-S516 PolarHBondContact O-OG 2.84Å; S516-V518 PolarHBondContact O-N 3.49Å |
| 517 | G | 33.6 | Very low | 30.3 | Very low | 70 Ų | 70 | 108 Ų | 108 | 72% | 0.722 | 70% | 0.695 | S | S | * | * | | | trans | -71.7 | 78.7 | -175 | 0 | 0 | 0 | 0 | 0 | 115.2 | Q519 | G517-Q519 PolarHBondContact O-N 3.32Š|
| 518 | V | 30.6 | Very low | 30.5 | Very low | 115 Ų | 115 | 108.5 Ų | 108.5 | 70% | 0.697 | 71% | 0.705 | S | S | * | * | | | trans | -76.7 | 98.6 | 165.6 | -177.9 | 0 | 0 | 0 | 0 | 108.5 | S516 | S516-V518 PolarHBondContact O-N 3.49Š|
| 519 | Q | 35.5 | Very low | 30.6 | Very low | 178 Ų | 178 | 107.1 Ų | 107.1 | 83% | 0.832 | 70% | 0.7 | S | S | * | * | | | trans | -95.5 | -19 | -173.3 | -64.6 | -161.7 | 4 | 0 | 0 | 115.2 | G517 | G517-Q519 PolarHBondContact O-N 3.32Š|
| 520 | T | 28.3 | Very low | 30.4 | Very low | 91 Ų | 91 | 107.7 Ų | 107.7 | 56% | 0.558 | 71% | 0.712 | S | S | * | * | | | trans | -146.5 | 140 | -177.7 | 33.1 | 0 | 0 | 0 | 0 | 113 | | |
| 521 | V | 28.6 | Very low | 30.4 | Very low | 117 Ų | 117 | 108.3 Ų | 108.3 | 71% | 0.709 | 71% | 0.708 | S | S | * | * | | | trans | -118.5 | 129.4 | 161.9 | 178.3 | 0 | 0 | 0 | 0 | 106.6 | | |
| 522 | S | 27.6 | Very low | 30.2 | Very low | 48 Ų | 48 | 105.5 Ų | 105.5 | 34% | 0.336 | 70% | 0.695 | S | S | . | * | | | trans | -131.5 | 129 | -173 | -57.5 | 0 | 0 | 0 | 0 | 111.2 | | |
| 523 | I | 28.1 | Very low | 30.1 | Very low | 153 Ų | 153 | 105.4 Ų | 105.4 | 79% | 0.785 | 70% | 0.7 | S | S | * | * | | | trans | -98.2 | 124.9 | 171.5 | -56.2 | 173.6 | 0 | 0 | 0 | 107.3 | | |
| 524 | A | 25.3 | Very low | 29.9 | Very low | 74 Ų | 74 | 107.8 Ų | 107.8 | 61% | 0.612 | 71% | 0.707 | S | S | * | * | | | trans | -116.4 | 107.3 | -169 | 0 | 0 | 0 | 0 | 0 | 113.2 | | |
| 525 | G | 26.3 | Very low | 29.9 | Very low | 70 Ų | 70 | 104.8 Ų | 104.8 | 72% | 0.722 | 70% | 0.7 | S | S | * | * | | | trans | 86 | 132.3 | 147.5 | 0 | 0 | 0 | 0 | 0 | 119.1 | | |
| 526 | L | 27.2 | Very low | 29.6 | Very low | 149 Ų | 149 | 105.1 Ų | 105.1 | 78% | 0.78 | 69% | 0.686 | S | S | * | * | | | trans | -137.6 | 157.2 | 131.6 | -87 | -175.6 | 0 | 0 | 0 | 108.7 | | |
| 527 | G | 29.3 | Very low | 29.2 | Very low | 70 Ų | 70 | 105.9 Ų | 105.9 | 72% | 0.722 | 69% | 0.689 | S | S | * | * | | | trans | -75.9 | -172.4 | -174.7 | 0 | 0 | 0 | 0 | 0 | 115.1 | A529 | G527-A529 PolarHBondContact O-N 3.18Š|
| 528 | T | 33.1 | Very low | 29 | Very low | 158 Ų | 158 | 109.4 Ų | 109.4 | 97% | 0.969 | 69% | 0.69 | S | S | * | * | S | Bend | trans | -71.4 | 75.5 | -169.2 | 50.5 | 0 | 0 | 0 | 0 | 114.8 | | |
| 529 | A | 28.4 | Very low | 28.8 | Very low | 78 Ų | 78 | 108 Ų | 108 | 65% | 0.645 | 68% | 0.683 | S | S | * | * | S | Bend | trans | -158.4 | 106.7 | 160.9 | 0 | 0 | 0 | 0 | 0 | 113.4 | G527 V531 | G527-A529 PolarHBondContact O-N 3.18Å; A529-V531 VanDerWaalsContact C-N 3.35Å; A529-V531 PolarHBondContact O-N 3.46Å |
| 530 | G | 31.6 | Very low | 28.6 | Very low | 75 Ų | 75 | 106.9 Ų | 106.9 | 77% | 0.773 | 68% | 0.68 | S | S | * | * | | | trans | 65.1 | -2.7 | 145.6 | 0 | 0 | 0 | 0 | 0 | 122.1 | | |
| 531 | V | 29.9 | Very low | 28.5 | Very low | 89 Ų | 89 | 107.3 Ų | 107.3 | 54% | 0.539 | 68% | 0.683 | S | S | . | * | | | trans | -79.6 | 125.3 | -175 | -176.5 | 0 | 0 | 0 | 0 | 112.9 | A529 V533 | A529-V531 VanDerWaalsContact C-N 3.35Å; A529-V531 PolarHBondContact O-N 3.46Å; V531-V533 HydrophobicContact CG1-CG2 3.96Å |
| 532 | Q | 28.4 | Very low | 28.5 | Very low | 138 Ų | 138 | 104.1 Ų | 104.1 | 65% | 0.645 | 67% | 0.674 | S | S | * | * | | | trans | -108.2 | 109.9 | 168.8 | -78.5 | -85.2 | -27.5 | 0 | 0 | 109.7 | L497 | L497-Q532 HydrophobicContact CD2-CB 4.16Å; L497-Q532 HydrophobicContact CD2-CG 4.2Å |
| 533 | V | 30.4 | Very low | 28.5 | Very low | 126 Ų | 126 | 110.1 Ų | 110.1 | 76% | 0.764 | 70% | 0.701 | S | S | * | * | | | trans | -93.6 | 107 | 174.3 | -177.1 | 0 | 0 | 0 | 0 | 109.3 | V531 | V531-V533 HydrophobicContact CG1-CG2 3.96Š|
| 534 | Q | 27.2 | Very low | 28.6 | Very low | 179 Ų | 179 | 112.8 Ų | 112.8 | 84% | 0.836 | 71% | 0.711 | S | S | * | * | | | trans | -108.7 | 102.9 | -175.8 | -168 | 171.1 | 107.4 | 0 | 0 | 112.3 | | |
| 535 | G | 30.5 | Very low | 28.7 | Very low | 70 Ų | 70 | 112.4 Ų | 112.4 | 72% | 0.722 | 71% | 0.713 | S | S | * | * | | | trans | 70.4 | 69.6 | 151.6 | 0 | 0 | 0 | 0 | 0 | 118.5 | | |
| 536 | V | 28.6 | Very low | 28.7 | Very low | 87 Ų | 87 | 117.7 Ų | 117.7 | 53% | 0.527 | 72% | 0.719 | S | S | . | * | | | trans | -94 | 115.2 | 154.9 | -178.6 | 0 | 0 | 0 | 0 | 108.5 | L538 | V536-L538 PolarHBondContact O-N 2.97Š|
| 537 | P | 24.3 | Very low | 28.7 | Very low | 88 Ų | 88 | 115.9 Ų | 115.9 | 57% | 0.571 | 72% | 0.717 | S | S | * | * | | | trans | -74.8 | 125.1 | 176.6 | 29.4 | -32.8 | 0 | 0 | 0 | 111 | T539 | P537-T539 PolarHBondContact O-N 3.13Š|
| 538 | L | 28.9 | Very low | 28.8 | Very low | 144 Ų | 144 | 121.6 Ų | 121.6 | 75% | 0.754 | 72% | 0.724 | S | S | * | * | | | trans | -86.9 | 103.3 | 171.1 | -70.2 | 172.9 | 0 | 0 | 0 | 109.8 | V536 | V536-L538 PolarHBondContact O-N 2.97Š|
| 539 | T | 27.3 | Very low | 28.6 | Very low | 87 Ų | 87 | 119.4 Ų | 119.4 | 53% | 0.534 | 72% | 0.715 | S | S | . | * | | | trans | -97.1 | 108.2 | 176.6 | -49.6 | 0 | 0 | 0 | 0 | 110.1 | P537 | P537-T539 PolarHBondContact O-N 3.13Š|
| 540 | I | 30.9 | Very low | 29 | Very low | 153 Ų | 153 | 125 Ų | 125 | 79% | 0.785 | 73% | 0.728 | S | S | * | * | | | trans | -95.8 | 113.7 | 173.5 | -57 | 174.9 | 0 | 0 | 0 | 108.3 | | |
| 541 | T | 26.5 | Very low | 28.7 | Very low | 101 Ų | 101 | 129.3 Ų | 129.3 | 62% | 0.62 | 73% | 0.734 | S | S | * | * | | | trans | -122.6 | 111.4 | -177.5 | -33.5 | 0 | 0 | 0 | 0 | 110.1 | | |
| 542 | G | 28.3 | Very low | 28.5 | Very low | 50 Ų | 50 | 129.6 Ų | 129.6 | 52% | 0.515 | 75% | 0.745 | S | S | . | * | | | trans | 139.9 | 75.1 | 173.8 | 0 | 0 | 0 | 0 | 0 | 115.2 | | |
| 543 | L | 28.7 | Very low | 28.4 | Very low | 173 Ų | 173 | 129.8 Ų | 129.8 | 91% | 0.906 | 76% | 0.756 | S | S | * | * | | | trans | -134.2 | 76.1 | 163.3 | -75.1 | 177.8 | 0 | 0 | 0 | 109.9 | | |
| 544 | Q | 28.9 | Very low | 28 | Very low | 210 Ų | 210 | 132.1 Ų | 132.1 | 98% | 0.981 | 76% | 0.755 | S | S | * | * | | | trans | -92.1 | 92 | 163.7 | -74.4 | -169.8 | -5.2 | 0 | 0 | 109 | | |
| 545 | G | 28.5 | Very low | 27.9 | Very low | 65 Ų | 65 | 129.7 Ų | 129.7 | 67% | 0.67 | 75% | 0.753 | S | S | * | * | | | trans | -174.3 | 110.3 | 177.1 | 0 | 0 | 0 | 0 | 0 | 109.8 | P547 | G545-P547 WeakPolarHBondContact O-CD 3.37Š|
| 546 | Q | 26.6 | Very low | 27.5 | Very low | 182 Ų | 182 | 133 Ų | 133 | 85% | 0.85 | 75% | 0.75 | S | S | * | * | | | trans | -89 | 112.6 | -175.2 | 178.5 | 179.6 | -18.8 | 0 | 0 | 110.4 | | |
| 547 | P | 27 | Very low | 27.3 | Very low | 111 Ų | 111 | 134.3 Ų | 134.3 | 72% | 0.721 | 76% | 0.759 | S | S | * | * | | | trans | -91.2 | 122.6 | 179.2 | 2.3 | 18.3 | 0 | 0 | 0 | 110.8 | G545 S549 | G545-P547 WeakPolarHBondContact O-CD 3.37Å; P547-S549 PolarHBondContact O-N 3.25Å |
| 548 | Q | 31.4 | Very low | 27.2 | Very low | 189 Ų | 189 | 135.1 Ų | 135.1 | 88% | 0.883 | 77% | 0.767 | S | S | * | * | | | trans | -87.8 | 88.6 | 165.1 | -76.1 | -174.2 | -94.9 | 0 | 0 | 110.9 | | |
| 549 | S | 28.2 | Very low | 27.1 | Very low | 112 Ų | 112 | 133.7 Ų | 133.7 | 78% | 0.783 | 77% | 0.767 | S | S | * | * | S | Bend | trans | -172.2 | 158.4 | 153.3 | 41.7 | 0 | 0 | 0 | 0 | 110.6 | P547 | P547-S549 PolarHBondContact O-N 3.25Š|
| 550 | Q | 36.1 | Very low | 27 | Very low | 196 Ų | 196 | 136 Ų | 136 | 92% | 0.916 | 78% | 0.781 | S | S | * | * | | | trans | -99.9 | 93.4 | -173.9 | -68 | 177 | -9 | 0 | 0 | 111 | | |
| 551 | D | 26.7 | Very low | 26.6 | Very low | 165 Ų | 165 | 134.4 Ų | 134.4 | 88% | 0.882 | 78% | 0.778 | S | S | * | * | | | trans | -150.9 | 132.2 | 156.5 | -112.3 | -41.9 | 0 | 0 | 0 | 110.4 | | |
| 552 | A | 25.9 | Very low | 26.4 | Very low | 95 Ų | 95 | 135.5 Ų | 135.5 | 79% | 0.785 | 78% | 0.784 | S | S | * | * | | | trans | -103.2 | 109.1 | -164.2 | 0 | 0 | 0 | 0 | 0 | 112.8 | K554 | A552-K554 PolarHBondContact O-N 2.72Š|
| 553 | V | 25.2 | Very low | 26.1 | Very low | 142 Ų | 142 | 139 Ų | 139 | 86% | 0.861 | 80% | 0.796 | S | S | * | * | | | trans | -64.5 | 116 | 174.1 | 179.9 | 0 | 0 | 0 | 0 | 110.3 | | |
| 554 | K | 22.8 | Very low | 25.8 | Very low | 175 Ų | 175 | 137.1 Ų | 137.1 | 76% | 0.761 | 79% | 0.791 | S | S | * | * | | | trans | -104.7 | 98.6 | -172.8 | -173.2 | 179.1 | -177.3 | 177.5 | 0 | 111.7 | A552 | A552-K554 PolarHBondContact O-N 2.72Š|
| 555 | V | 25 | Very low | 25.5 | Very low | 129 Ų | 129 | 130.3 Ų | 130.3 | 78% | 0.782 | 78% | 0.777 | S | S | * | * | | | trans | -79 | 128 | 175.7 | -176.9 | 0 | 0 | 0 | 0 | 110.4 | | |
| 556 | Q | 21.3 | Very low | 25.3 | Very low | 140 Ų | 140 | 132.9 Ų | 132.9 | 65% | 0.654 | 79% | 0.785 | S | S | * | * | | | trans | -127.6 | 108.3 | 179.5 | -80.7 | -85.2 | 43.3 | 0 | 0 | 110.2 | S558 | Q556-S558 PolarHBondContact O-N 3.26Š|
| 557 | P | 25 | Very low | 25.3 | Very low | 113 Ų | 113 | 131.5 Ų | 131.5 | 73% | 0.734 | 79% | 0.789 | S | S | * | * | | | trans | -85.4 | 102.9 | 172.4 | 32 | -30.5 | 0 | 0 | 0 | 110.9 | | |
| 558 | S | 22.5 | Very low | 25.3 | Very low | 105 Ų | 105 | 131 Ų | 131 | 73% | 0.734 | 79% | 0.794 | S | S | * | * | | | trans | -85.9 | 123.1 | 173.8 | -61.9 | 0 | 0 | 0 | 0 | 111.2 | Q556 | Q556-S558 PolarHBondContact O-N 3.26Š|
| 559 | P | 25.8 | Very low | 25.1 | Very low | 115 Ų | 115 | 128.3 Ų | 128.3 | 75% | 0.747 | 80% | 0.796 | S | S | * | * | | | trans | -75 | 134.6 | 170.8 | 30.6 | -32.8 | 0 | 0 | 0 | 110.7 | T561 | P559-T561 PolarHBondContact O-N 2.82Š|
| 560 | V | 25.3 | Very low | 25 | Very low | 136 Ų | 136 | 126.1 Ų | 126.1 | 82% | 0.824 | 79% | 0.791 | S | S | * | * | | | trans | -83.4 | 113.7 | 173.5 | 177.6 | 0 | 0 | 0 | 0 | 109.3 | | |
| 561 | T | 21.9 | Very low | 24.5 | Very low | 119 Ų | 119 | 123.3 Ų | 123.3 | 73% | 0.73 | 79% | 0.793 | S | S | * | * | | | trans | -80.2 | 123.2 | 173 | -57.3 | 0 | 0 | 0 | 0 | 110.3 | P559 | P559-T561 PolarHBondContact O-N 2.82Š|
| 562 | V | 23.5 | Very low | 24.5 | Very low | 123 Ų | 123 | 120.8 Ų | 120.8 | 75% | 0.745 | 79% | 0.789 | S | S | * | * | | | trans | -94.4 | 107.6 | 170.2 | 179.7 | 0 | 0 | 0 | 0 | 109.1 | | |
| 563 | T | 21.4 | Very low | 24.5 | Very low | 124 Ų | 124 | 123.1 Ų | 123.1 | 76% | 0.761 | 79% | 0.793 | S | S | * | * | | | trans | -87.9 | 124.6 | 174.3 | -52 | 0 | 0 | 0 | 0 | 109.8 | | |
| 564 | V | 23.5 | Very low | 24.6 | Very low | 133 Ų | 133 | 121.5 Ų | 121.5 | 81% | 0.806 | 79% | 0.788 | S | S | * | * | | | trans | -104.9 | 129.2 | 169.7 | -179 | 0 | 0 | 0 | 0 | 108.7 | | |
| 565 | G | 22.5 | Very low | 25.2 | Very low | 67 Ų | 67 | 119.1 Ų | 119.1 | 69% | 0.691 | 79% | 0.79 | S | S | * | * | | | trans | -89.4 | 124.3 | -171.7 | 0 | 0 | 0 | 0 | 0 | 114.6 | | |
| 566 | S | 24.6 | Very low | 25.2 | Very low | 120 Ų | 120 | 119.5 Ų | 119.5 | 84% | 0.839 | 79% | 0.788 | S | S | * | * | | | trans | 25 | 126.3 | 147.5 | -51.8 | 0 | 0 | 0 | 0 | 121.4 | | |
| 567 | V | 25.4 | Very low | 25.6 | Very low | 153 Ų | 153 | 120.1 Ų | 120.1 | 93% | 0.927 | 79% | 0.791 | S | S | * | * | | | trans | -106.9 | 152.3 | 136.4 | -70.4 | 0 | 0 | 0 | 0 | 109 | | |
| 568 | A | 26.8 | Very low | 25.6 | Very low | 101 Ų | 101 | 122.2 Ų | 122.2 | 84% | 0.835 | 80% | 0.795 | S | S | * | * | | | trans | -103 | 130.7 | -159.5 | 0 | 0 | 0 | 0 | 0 | 115.4 | | |
| 569 | S | 28.7 | Very low | 25.8 | Very low | 132 Ų | 132 | 120.9 Ų | 120.9 | 92% | 0.923 | 80% | 0.798 | S | S | * | * | | | trans | -178 | 144.3 | 153.5 | -77.9 | 0 | 0 | 0 | 0 | 107.2 | | |
| 570 | G | 24.3 | Very low | 26 | Very low | 66 Ų | 66 | 120.3 Ų | 120.3 | 68% | 0.68 | 80% | 0.796 | S | S | * | * | | | cis | 151.9 | 127.7 | -1.2 | 0 | 0 | 0 | 0 | 0 | 109.6 | | |
| 571 | S | 26.6 | Very low | 26.2 | Very low | 137 Ų | 137 | 120.8 Ų | 120.8 | 96% | 0.958 | 80% | 0.799 | S | S | * | * | | | trans | 87.8 | 154.3 | -177.6 | -41.9 | 0 | 0 | 0 | 0 | 117.4 | | |
| 572 | S | 25.7 | Very low | 26.4 | Very low | 112 Ų | 112 | 123.3 Ų | 123.3 | 78% | 0.783 | 80% | 0.803 | S | S | * | * | | | trans | -116.3 | 167.2 | -169.1 | 53.3 | 0 | 0 | 0 | 0 | 112.7 | | |
| 573 | V | 27.2 | Very low | 26.7 | Very low | 144 Ų | 144 | 123.2 Ų | 123.2 | 87% | 0.873 | 81% | 0.808 | S | S | * | * | | | trans | -162.7 | 146.8 | 137.2 | 144.7 | 0 | 0 | 0 | 0 | 108.2 | | |
| 574 | S | 26 | Very low | 27 | Very low | 108 Ų | 108 | 122.9 Ų | 122.9 | 76% | 0.755 | 81% | 0.81 | S | S | * | * | | | trans | -90.2 | 157.6 | 179.2 | -58.6 | 0 | 0 | 0 | 0 | 112.9 | | |
| 575 | P | 35.9 | Very low | 27.3 | Very low | 125 Ų | 125 | 121.6 Ų | 121.6 | 81% | 0.812 | 81% | 0.807 | S | S | * | * | | | trans | -87 | 145.2 | 173.7 | 35.2 | -33.5 | 0 | 0 | 0 | 112.3 | | |
| 576 | D | 25.9 | Very low | 27.7 | Very low | 137 Ų | 137 | 124.8 Ų | 124.8 | 73% | 0.733 | 81% | 0.808 | S | S | * | * | | | trans | -156.1 | 153.3 | 168.1 | -139.7 | -34.3 | 0 | 0 | 0 | 113.4 | | |
| 577 | Q | 29.5 | Very low | 28.1 | Very low | 152 Ų | 152 | 127.5 Ų | 127.5 | 71% | 0.71 | 81% | 0.808 | S | S | * | * | | | trans | 44.2 | 116.6 | 159.8 | -81.9 | 157.6 | 80.1 | 0 | 0 | 120.4 | | |
| 578 | L | 25.6 | Very low | 28.3 | Very low | 157 Ų | 157 | 130.1 Ų | 130.1 | 82% | 0.822 | 81% | 0.81 | S | S | * | * | | | | 102.9 | 133.2 | 64.8 | -97.3 | -171.4 | 0 | 0 | 0 | 111.1 | | |
| 579 | G | 26.8 | Very low | 28.5 | Very low | 77 Ų | 77 | 128.5 Ų | 128.5 | 79% | 0.794 | 80% | 0.803 | S | S | * | * | | | trans | 178.5 | 63.7 | -174.7 | 0 | 0 | 0 | 0 | 0 | 113.1 | | |
| 580 | S | 29.6 | Very low | 29 | Very low | 103 Ų | 103 | 128.1 Ų | 128.1 | 72% | 0.72 | 80% | 0.797 | S | S | * | * | | | trans | -79.9 | 136 | -173.4 | -53 | 0 | 0 | 0 | 0 | 113.7 | | |
| 581 | V | 28.8 | Very low | 29.8 | Very low | 146 Ų | 146 | 131 Ų | 131 | 89% | 0.885 | 80% | 0.804 | S | S | * | * | | | trans | -136.8 | 137.6 | 152.5 | -175.6 | 0 | 0 | 0 | 0 | 108.1 | | |
| 582 | Q | 27 | Very low | 30.1 | Very low | 172 Ų | 172 | 129.6 Ų | 129.6 | 80% | 0.804 | 79% | 0.794 | S | S | * | * | | | trans | -109 | 165.3 | -177.4 | -67.1 | 179.1 | -86.6 | 0 | 0 | 112.8 | | |
| 583 | S | 28.6 | Very low | 30.6 | Very low | 122 Ų | 122 | 133.8 Ų | 133.8 | 85% | 0.853 | 80% | 0.798 | S | S | * | * | | | trans | 83.8 | 148.2 | 159.9 | -54.8 | 0 | 0 | 0 | 0 | 116.9 | | |
| 584 | S | 29.1 | Very low | 30.9 | Very low | 116 Ų | 116 | 138.9 Ų | 138.9 | 81% | 0.811 | 80% | 0.802 | S | S | * | * | | | cis | -131.9 | 169.5 | 10.3 | 58.8 | 0 | 0 | 0 | 0 | 114.4 | | |
| 585 | S | 29.3 | Very low | 31.6 | Very low | 106 Ų | 106 | 141.3 Ų | 141.3 | 74% | 0.741 | 81% | 0.806 | S | S | * | * | | | trans | -62.7 | 155.2 | 175.2 | -43.4 | 0 | 0 | 0 | 0 | 113.9 | | |
| 586 | D | 30.7 | Very low | 31.4 | Very low | 134 Ų | 134 | 146.3 Ų | 146.3 | 72% | 0.717 | 81% | 0.808 | S | S | * | * | | | | -166.2 | 132 | 110.5 | -115.1 | -38.2 | 0 | 0 | 0 | 114.9 | | |
| 587 | Q | 32.2 | Very low | 31.7 | Very low | 178 Ų | 178 | 150.3 Ų | 150.3 | 83% | 0.832 | 81% | 0.813 | S | S | * | * | | | trans | 44 | 155.2 | 152.8 | -71.4 | 166.5 | 67.6 | 0 | 0 | 124.1 | | |
| 588 | E | 30.9 | Very low | 31.9 | Very low | 208 Ų | 208 | 148.8 Ų | 148.8 | 97% | 0.972 | 81% | 0.814 | S | S | * | * | | | trans | -96.7 | 152.1 | -169.1 | -61.4 | -166.1 | 98.7 | 0 | 0 | 115.3 | | |
| 589 | G | 29.4 | Very low | 32.2 | Very low | 66 Ų | 66 | 145.3 Ų | 145.3 | 68% | 0.68 | 81% | 0.808 | S | S | * | * | | | trans | -162.6 | 149.7 | 170.7 | 0 | 0 | 0 | 0 | 0 | 111.4 | | |
| 590 | P | 39.3 | Very low | 32.4 | Very low | 124 Ų | 124 | 146.3 Ų | 146.3 | 81% | 0.805 | 80% | 0.801 | S | S | * | * | | | trans | -71.7 | 151.1 | -160.2 | 26.1 | -34.9 | 0 | 0 | 0 | 115.1 | | |
| 591 | P | 41.3 | Very low | 33 | Very low | 126 Ų | 126 | 147.1 Ų | 147.1 | 82% | 0.818 | 81% | 0.807 | S | S | * | * | | | trans | -75.7 | 134.8 | -166.6 | 29.8 | -36.2 | 0 | 0 | 0 | 113.4 | | |
| 592 | S | 33.4 | Very low | 33.1 | Very low | 109 Ų | 109 | 144.1 Ų | 144.1 | 76% | 0.762 | 79% | 0.792 | S | S | * | * | | | trans | -148.9 | 133.6 | 168.8 | -95.2 | 0 | 0 | 0 | 0 | 113.3 | | |
| 593 | K | 36.8 | Very low | 33.8 | Very low | 199 Ų | 199 | 142.9 Ų | 142.9 | 87% | 0.865 | 80% | 0.799 | S | S | * | * | | | trans | 68.2 | 91.1 | 168.8 | -58.4 | 167.2 | -172.6 | 171.9 | 0 | 115 | L595 | K593-L595 PolarHBondContact O-N 3.3Š|
| 594 | R | 33.7 | Very low | 34.5 | Very low | 251 Ų | 251 | 143.4 Ų | 143.4 | 95% | 0.947 | 79% | 0.792 | S | S | * | * | | | trans | -48.4 | 114 | 174.4 | -65.4 | -179.9 | 177.6 | -158.4 | -1 | 112.9 | R596 | R594-R596 PolarHBondContact O-N 2.87Š|
| 595 | L | 39.5 | Very low | 34.8 | Very low | 159 Ų | 159 | 141.4 Ų | 141.4 | 83% | 0.832 | 78% | 0.777 | S | S | * | * | | | trans | -91.8 | 79.8 | 162.3 | -83.8 | 171.8 | 0 | 0 | 0 | 111.2 | K593 | K593-L595 PolarHBondContact O-N 3.3Š|
| 596 | R | 31.4 | Very low | 35.5 | Very low | 231 Ų | 231 | 146.6 Ų | 146.6 | 87% | 0.872 | 78% | 0.78 | S | S | * | * | | | trans | -141.1 | 81.2 | 153 | -75.3 | -161.6 | -178.7 | -168.3 | 1.5 | 109.6 | R594 V598 | R594-R596 PolarHBondContact O-N 2.87Å; R596-V598 PolarHBondContact O-N 3.38Å |
| 597 | R | 32.8 | Very low | 35.9 | Very low | 220 Ų | 220 | 147.3 Ų | 147.3 | 83% | 0.83 | 78% | 0.784 | S | S | * | * | | | trans | -78.6 | 96.8 | 159.2 | 179.4 | 174.2 | -75.1 | -162.4 | -5.6 | 106.5 | | |
| 598 | V | 33.9 | Very low | 36.3 | Very low | 120 Ų | 120 | 142 Ų | 142 | 73% | 0.727 | 78% | 0.778 | S | S | * | * | | | trans | -58 | 137.8 | 168.9 | 179 | 0 | 0 | 0 | 0 | 108 | R596 C600 | R596-V598 PolarHBondContact O-N 3.38Å; V598-C600 PolarHBondContact O-N 3.18Å |
| 599 | A | 31.3 | Very low | 37.2 | Very low | 84 Ų | 84 | 140.7 Ų | 140.7 | 69% | 0.694 | 77% | 0.771 | S | S | * | * | | | trans | -70.5 | 127.5 | 178.5 | 0 | 0 | 0 | 0 | 0 | 110 | S601 | A599-S601 PolarHBondContact O-N 3.32Š|
| 600 | C | 31.5 | Very low | 37.7 | Very low | 98 Ų | 98 | 139.8 Ų | 139.8 | 66% | 0.662 | 76% | 0.762 | S | S | * | * | | | trans | -77.1 | 105.4 | 175.2 | -64.1 | 0 | 0 | 0 | 0 | 110.1 | V598 C602 | V598-C600 PolarHBondContact O-N 3.18Å; C600-C602 PolarHBondContact O-N 3.47Å |
| 601 | S | 41.1 | Very low | 37.7 | Very low | 120 Ų | 120 | 143.9 Ų | 143.9 | 84% | 0.839 | 76% | 0.761 | S | S | * | * | | | trans | -80.7 | 67.3 | 170.8 | -61.2 | 0 | 0 | 0 | 0 | 111.2 | A599 | A599-S601 PolarHBondContact O-N 3.32Š|
| 602 | C | 32.2 | Very low | 37.7 | Very low | 84 Ų | 84 | 146.1 Ų | 146.1 | 57% | 0.568 | 77% | 0.766 | S | S | * | * | | | trans | -134.7 | 131.4 | 179.4 | -74.5 | 0 | 0 | 0 | 0 | 111.4 | C600 N604 | C600-C602 PolarHBondContact O-N 3.47Å; C602-N604 PolarHBondContact O-N 3.5Å |
| 603 | P | 40.8 | Very low | 38.1 | Very low | 145 Ų | 145 | 146.2 Ų | 146.2 | 94% | 0.942 | 77% | 0.767 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -65.1 | -2.9 | 179.3 | -23.9 | 34.5 | 0 | 0 | 0 | 116.4 | | |
| 604 | N | 44.6 | Very low | 38.6 | Very low | 133 Ų | 133 | 141 Ų | 141 | 71% | 0.711 | 77% | 0.77 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -143.2 | 43 | -165.1 | -143.8 | -18.6 | 0 | 0 | 0 | 113.5 | C602 R606 | C602-N604 PolarHBondContact O-N 3.5Å; N604-R606 PolarHBondContact O-N 2.82Å |
| 605 | C | 35.4 | Very low | 39.3 | Very low | 74 Ų | 74 | 131.7 Ų | 131.7 | 50% | 0.5 | 74% | 0.739 | S | S | . | * | | | trans | -60.7 | 122.4 | 175.5 | -81.2 | 0 | 0 | 0 | 0 | 111.8 | | |
| 606 | R | 43 | Very low | 40.1 | Very low | 215 Ų | 215 | 130.5 Ų | 130.5 | 81% | 0.811 | 74% | 0.741 | S | S | * | * | | | trans | -90 | -23.8 | -174.4 | -160.2 | 168.1 | 179.8 | 163.4 | -2.1 | 113 | N604 G608 | N604-R606 PolarHBondContact O-N 2.82Å; R606-G608 PolarHBondContact O-N 2.97Å |
| 607 | D | 39.2 | Very low | 41.4 | Very low | 150 Ų | 150 | 124.8 Ų | 124.8 | 80% | 0.802 | 73% | 0.732 | S | S | * | * | | | trans | -92.2 | 95.3 | -164.4 | -49.4 | -61.5 | 0 | 0 | 0 | 113.2 | E609 | D607-E609 VanDerWaalsContact C-N 3.33Å; D607-E609 PolarHBondContact O-N 3.14Å |
| 608 | G | 41.7 | Very low | 42.5 | Very low | 67 Ų | 67 | 121.9 Ų | 121.9 | 69% | 0.691 | 73% | 0.725 | S | S | * | * | | | trans | -84.5 | 11.9 | -176.2 | 0 | 0 | 0 | 0 | 0 | 116.5 | R606 G610 | R606-G608 PolarHBondContact O-N 2.97Å; G608-G610 PolarHBondContact O-N 2.76Å |
| 609 | E | 48.3 | Very low | 43.8 | Very low | 180 Ų | 180 | 125.2 Ų | 125.2 | 84% | 0.841 | 73% | 0.73 | S | S | * | * | | | trans | -69.6 | 60.1 | -175.4 | -74.3 | -100.2 | 113 | 0 | 0 | 113.1 | D607 R611 | D607-E609 VanDerWaalsContact C-N 3.33Å; D607-E609 PolarHBondContact O-N 3.14Å; E609-R611 PolarHBondContact O-N 3.03Å |
| 610 | G | 41.1 | Very low | 45.5 | Very low | 47 Ų | 47 | 127.1 Ų | 127.1 | 49% | 0.485 | 72% | 0.722 | S | S | . | * | | | trans | -86.1 | 86.3 | 171.4 | 0 | 0 | 0 | 0 | 0 | 111 | G608 | G608-G610 PolarHBondContact O-N 2.76Š|
| 611 | R | 38.6 | Very low | 47.8 | Very low | 209 Ų | 209 | 128.9 Ų | 128.9 | 79% | 0.789 | 72% | 0.721 | S | S | * | * | | | trans | 17.9 | 124.6 | 161.6 | -63.3 | 179 | -179.3 | 167.2 | -0.6 | 117.6 | E609 S613 | E609-R611 PolarHBondContact O-N 3.03Å; R611-S613 PolarHBondContact O-N 2.99Å; R611-S613 VanDerWaalsContact O-N 3.1Å |
| 612 | N | 42.3 | Very low | 49.7 | Very low | 173 Ų | 173 | 125.2 Ų | 125.2 | 93% | 0.925 | 69% | 0.69 | S | S | * | * | | | trans | -48.9 | 116.5 | 166.4 | -69.9 | -14.9 | 0 | 0 | 0 | 112 | | |
| 613 | S | 41 | Very low | 52.2 | Low | 111 Ų | 111 | 124.6 Ų | 124.6 | 78% | 0.776 | 68% | 0.681 | S | S | * | * | | | trans | -111.7 | 114.2 | 155.4 | -60.3 | 0 | 0 | 0 | 0 | 105.8 | R611 D615 | R611-S613 PolarHBondContact O-N 2.99Å; R611-S613 VanDerWaalsContact O-N 3.1Å; S613-D615 VanDerWaalsContact C-N 3.32Å; S613-D615 PolarHBondContact O-N 3.25Å |
| 614 | G | 46.8 | Very low | 54.3 | Low | 89 Ų | 89 | 117.8 Ų | 117.8 | 92% | 0.918 | 64% | 0.637 | S | S | * | * | | | trans | -76.6 | 72.4 | -165.4 | 0 | 0 | 0 | 0 | 0 | 114.2 | | |
| 615 | D | 49.6 | Very low | 56 | Low | 57 Ų | 57 | 119.4 Ų | 119.4 | 31% | 0.305 | 64% | 0.64 | S | S | . | * | | | trans | -136.7 | 99.2 | 172.8 | -178.8 | -6.7 | 0 | 0 | 0 | 109.6 | S613 T617 K618 | S613-D615 VanDerWaalsContact C-N 3.32Å; S613-D615 PolarHBondContact O-N 3.25Å; D615-T617 PolarHBondContact O-N 2.94Å; D615-T617 WeakPolarHBondContact OD1-CB 3.44Å; D615-T617 PolarHBondContact OD1-N 3.12Å; D615-T617 PolarHBondContact OD1-OG1 3.3Å; D615-K618 WeakPolarHBondContact OD2-CD 3.46Å; D615-K618 WeakPolarHBondContact OD2-CE 3.46Å; D615-K618 IonicContact OD2-NZ 3.16Å; D615-K618 PolarHBondContact OD2-NZ 3.44Å |
| 616 | P | 54.9 | Low | 57.9 | Low | 133 Ų | 133 | 120 Ų | 120 | 86% | 0.864 | 64% | 0.636 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -71.4 | -5.1 | -178.1 | 30.1 | -35.2 | 0 | 0 | 0 | 113.6 | | |
| 617 | T | 59.1 | Low | 59.2 | Low | 112 Ų | 112 | 119 Ų | 119 | 69% | 0.687 | 64% | 0.64 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -84.2 | -24.4 | -178.4 | 73.3 | 0 | 0 | 0 | 0 | 113 | D615 K619 | D615-T617 PolarHBondContact O-N 2.94Å; D615-T617 WeakPolarHBondContact OD1-CB 3.44Å; D615-T617 PolarHBondContact OD1-N 3.12Å; D615-T617 PolarHBondContact OD1-OG1 3.3Å; T617-K619 PolarHBondContact O-N 2.9Å |
| 618 | K | 56.2 | Low | 60.8 | Low | 159 Ų | 159 | 116.1 Ų | 116.1 | 69% | 0.691 | 65% | 0.646 | S | S | * | * | S | Bend | trans | -94 | 92.5 | -175.1 | -70.3 | -178.1 | -176.8 | 115.8 | 0 | 112.2 | D615 K620 | D615-K618 WeakPolarHBondContact OD2-CD 3.46Å; D615-K618 WeakPolarHBondContact OD2-CE 3.46Å; D615-K618 IonicContact OD2-NZ 3.16Å; D615-K618 PolarHBondContact OD2-NZ 3.44Å; K618-K620 PolarHBondContact O-N 3.16Å; K618-K620 VanDerWaalsContact O-N 3.15Å |
| 619 | K | 61 | Low | 62.7 | Low | 189 Ų | 189 | 113.9 Ų | 113.9 | 82% | 0.822 | 62% | 0.62 | S | S | * | * | P | Polyproline II helix | trans | -55.8 | 116.8 | 170.7 | -68.8 | 179.8 | -180 | 175.2 | 0 | 110.4 | T617 Q621 | T617-K619 PolarHBondContact O-N 2.9Å; K619-Q621 PolarHBondContact O-N 3.07Å |
| 620 | K | 68.1 | Low | 64.2 | Low | 125 Ų | 125 | 107.7 Ų | 107.7 | 54% | 0.543 | 60% | 0.604 | S | S | . | * | P | Polyproline II helix | trans | -62.3 | 121.2 | 179.8 | -166.1 | 170 | -175.4 | 172.1 | 0 | 110 | K618 | K618-K620 PolarHBondContact O-N 3.16Å; K618-K620 VanDerWaalsContact O-N 3.15Å |
| 621 | Q | 79.3 | Confident | 66.2 | Low | 135 Ų | 135 | 110.6 Ų | 110.6 | 63% | 0.631 | 60% | 0.603 | S | S | * | * | P | Polyproline II helix | trans | -97 | 150.5 | -179.3 | -66.5 | -178.5 | -0.2 | 0 | 0 | 111.2 | K619 V632 | K619-Q621 PolarHBondContact O-N 3.07Å; Q621-V632 HydrophobicContact CB-CG1 3.83Å; Q621-V632 HydrophobicContact CG-CG1 4.19Å |
| 622 | H | 80.5 | Confident | 68.5 | Low | 42 Ų | 42 | 104.3 Ų | 104.3 | 19% | 0.194 | 59% | 0.588 | C | S | . | * | E | Extended strand (participates in β ladder) | trans | -126.8 | 104.7 | -175.3 | -61.3 | -73.5 | 0 | 0 | 0 | 109.5 | Y633 T636 L639 | H622-Y633 WeakPolarHBondContact CB-O 3.49Å; H622-Y633 PolarHBondContact N-O 2.94Å; H622-Y633 PolarHBondContact O-N 2.86Å; H622-T636 WeakPolarHBondContact CE1-CG2 3.37Å; H622-L639 HydrophobicContact CB-CB 4.09Å; H622-L639 HydrophobicContact CB-CD2 3.81Å |
| 623 | I | 84 | Confident | 70.5 | Confident | 72 Ų | 72 | 98.5 Ų | 98.5 | 37% | 0.369 | 55% | 0.554 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -93 | 139.3 | -172.7 | -49.3 | -177.1 | 0 | 0 | 0 | 110.4 | H625 V632 | I623-H625 PolarHBondContact O-CE1 2.86Å; I623-H625 PolarHBondContact O-N 3.03Å; I623-H625 PolarHBondContact O-ND1 3.4Å; I623-V632 HydrophobicContact CG1-CG1 4.23Å; I623-V632 HydrophobicContact CG1-CG2 4.1Å; I623-V632 HydrophobicContact CG2-CG2 4.32Å |
| 624 | C | 84.9 | Confident | 72.6 | Confident | 2 Ų | 2 | 96.2 Ų | 96.2 | 1% | 0.014 | 55% | 0.547 | C | S | . | . | | | trans | -79.2 | 112.1 | 167.6 | -168.4 | 0 | 0 | 0 | 0 | 109.9 | M626 G630 K631 L639 H642 H646 | C624-M626 VanDerWaalsContact C-N 3.32Å; C624-G630 WeakPolarHBondContact O-CA 3.28Å; C624-G630 PolarHBondContact O-N 3.04Å; C624-K631 HydrophobicContact CB-CB 4.46Å; C624-K631 WeakPolarHBondContact CB-O 3.29Å; C624-K631 PolarHBondContact N-O 3.48Å; C624-L639 HydrophobicContact CB-CD1 3.76Å; C624-H642 VanDerWaalsContact SG-CD2 3.6Å; C624-H642 PolarHBondContact SG-NE2 2.8Å; C624-H646 PolarHBondContact SG-NE2 2.99Å |
| 625 | H | 81.5 | Confident | 74.3 | Confident | 167 Ų | 167 | 97.9 Ų | 97.9 | 77% | 0.773 | 53% | 0.529 | S | S | * | . | | | trans | -93 | 11 | -178.7 | -61 | 77.6 | 0 | 0 | 0 | 112.7 | I623 | I623-H625 PolarHBondContact O-CE1 2.86Å; I623-H625 PolarHBondContact O-N 3.03Å; I623-H625 PolarHBondContact O-ND1 3.4Å |
| 626 | M | 74.9 | Confident | 75.7 | Confident | 86 Ų | 86 | 98.7 Ų | 98.7 | 42% | 0.424 | 54% | 0.537 | S | S | . | . | S | Bend | trans | -67 | 140.2 | 170.5 | -60.9 | -58.2 | -67.9 | 0 | 0 | 109.5 | C624 C629 L643 H646 | C624-M626 VanDerWaalsContact C-N 3.32Å; M626-C629 HydrophobicContact CB-CB 4.21Å; M626-C629 WeakPolarHBondContact O-CB 3.23Å; M626-C629 PolarHBondContact O-N 3.05Å; M626-L643 HydrophobicContact CG-CD2 3.79Å; M626-L643 HydrophobicContact SD-CD2 4.42Å; M626-H646 HydrophobicContact CE-CB 4.25Å; M626-H646 HydrophobicContact CG-CB 4.24Å |
| 627 | E | 70.2 | Confident | 76.8 | Confident | 193 Ų | 193 | 95.4 Ų | 95.4 | 90% | 0.902 | 52% | 0.516 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.1 | 138.4 | -177.7 | -167.1 | 165.4 | -168.9 | 0 | 0 | 111.5 | C629 | E627-C629 PolarHBondContact O-N 3.26Å; E627-C629 VanDerWaalsContact O-N 3.07Å |
| 628 | G | 73.4 | Confident | 78 | Confident | 90 Ų | 90 | 94.7 Ų | 94.7 | 93% | 0.928 | 51% | 0.505 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 67.9 | -4.5 | -174.8 | 0 | 0 | 0 | 0 | 0 | 116.6 | | |
| 629 | C | 81 | Confident | 79.3 | Confident | 21 Ų | 21 | 88.4 Ų | 88.4 | 14% | 0.142 | 48% | 0.479 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -94.7 | -59.9 | -171.2 | -162.3 | 0 | 0 | 0 | 0 | 115.6 | M626 E627 K631 H642 H646 | M626-C629 HydrophobicContact CB-CB 4.21Å; M626-C629 WeakPolarHBondContact O-CB 3.23Å; M626-C629 PolarHBondContact O-N 3.05Å; E627-C629 PolarHBondContact O-N 3.26Å; E627-C629 VanDerWaalsContact O-N 3.07Å; C629-K631 PolarHBondContact O-N 3.4Å; C629-H642 VanDerWaalsContact SG-CE1 3.56Å; C629-H642 PolarHBondContact SG-NE2 3.28Å; C629-H646 WeakPolarHBondContact CB-CE1 3.48Å; C629-H646 WeakPolarHBondContact CB-NE2 3.37Å; C629-H646 PolarHBondContact SG-CE1 3.21Å; C629-H646 PolarHBondContact SG-NE2 2.94Å |
| 630 | G | 80 | Confident | 80.1 | Confident | 49 Ų | 49 | 85.6 Ų | 85.6 | 51% | 0.505 | 46% | 0.463 | S | S | . | . | | | trans | 61.5 | -3.6 | 177 | 0 | 0 | 0 | 0 | 0 | 118.2 | C624 V632 | C624-G630 WeakPolarHBondContact O-CA 3.28Å; C624-G630 PolarHBondContact O-N 3.04Å; G630-V632 PolarHBondContact O-N 2.88Å |
| 631 | K | 82.7 | Confident | 80.7 | Confident | 108 Ų | 108 | 81 Ų | 81 | 47% | 0.47 | 45% | 0.449 | S | S | . | . | | | trans | -61.6 | 134 | -170 | -69.5 | 176.7 | -175.6 | 175.3 | 0 | 113 | C624 C629 Y633 | C624-K631 HydrophobicContact CB-CB 4.46Å; C624-K631 WeakPolarHBondContact CB-O 3.29Å; C624-K631 PolarHBondContact N-O 3.48Å; C629-K631 PolarHBondContact O-N 3.4Å; K631-Y633 HydrophobicContact CB-CE2 3.62Å; K631-Y633 WeakPolarHBondContact O-CE2 3.29Å |
| 632 | V | 86.6 | Confident | 80.8 | Confident | 77 Ų | 77 | 75.6 Ų | 75.6 | 47% | 0.467 | 42% | 0.423 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -107 | 132.1 | -174.2 | -172.9 | 0 | 0 | 0 | 0 | 111.5 | Q621 I623 G630 | Q621-V632 HydrophobicContact CB-CG1 3.83Å; Q621-V632 HydrophobicContact CG-CG1 4.19Å; I623-V632 HydrophobicContact CG1-CG1 4.23Å; I623-V632 HydrophobicContact CG1-CG2 4.1Å; I623-V632 HydrophobicContact CG2-CG2 4.32Å; G630-V632 PolarHBondContact O-N 2.88Å |
| 633 | Y | 85.3 | Confident | 80.8 | Confident | 52 Ų | 52 | 76.3 Ų | 76.3 | 20% | 0.204 | 43% | 0.428 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.3 | 136.7 | -176.3 | -62.4 | -84.4 | 0 | 0 | 0 | 112.4 | H622 K631 K635 H638 L639 H642 | H622-Y633 WeakPolarHBondContact CB-O 3.49Å; H622-Y633 PolarHBondContact N-O 2.94Å; H622-Y633 PolarHBondContact O-N 2.86Å; K631-Y633 HydrophobicContact CB-CE2 3.62Å; K631-Y633 WeakPolarHBondContact O-CE2 3.29Å; Y633-K635 VanDerWaalsContact C-N 3.28Å; Y633-K635 PolarHBondContact O-N 2.82Å; Y633-H638 HydrophobicContact CD1-CB 3.69Å; Y633-H638 HydrophobicContact CG-CB 4.16Å; Y633-L639 HydrophobicContact CD2-CB 4.06Å; Y633-L639 HydrophobicContact CD2-CD1 3.92Å; Y633-L639 HydrophobicContact CE2-CD1 4.25Å; Y633-L639 HydrophobicContact CG-CB 4.34Å; Y633-H642 HydrophobicContact CE1-CB 4.28Å; Y633-H642 HydrophobicContact CE2-CB 3.93Å; Y633-H642 AromaticContact CE2-CD2 3.42Å; Y633-H642 VanDerWaalsContact CE2-CD2 3.42Å; Y633-H642 WeakPolarHBondContact CE2-CD2 3.42Å; Y633-H642 AromaticContact CE2-CG 3.78Å; Y633-H642 AromaticContact CZ-CD2 3.74Å; Y633-H642 AromaticContact CZ-CG 3.62Å; Y633-H642 PolarHBondContact OH-CD2 3.29Å |
| 634 | G | 84 | Confident | 80.6 | Confident | 62 Ų | 62 | 76.1 Ų | 76.1 | 64% | 0.639 | 42% | 0.423 | S | S | * | . | S | Bend | trans | -79.6 | 1.1 | 176.3 | 0 | 0 | 0 | 0 | 0 | 115.7 | | |
| 635 | K | 82.4 | Confident | 80.1 | Confident | 124 Ų | 124 | 84.7 Ų | 84.7 | 54% | 0.539 | 46% | 0.455 | S | S | . | . | S | Bend | trans | -141.6 | 142 | 176.5 | -69.4 | -171.4 | 178.3 | -176.5 | 0 | 110.4 | Y633 S637 H638 L639 | Y633-K635 VanDerWaalsContact C-N 3.28Å; Y633-K635 PolarHBondContact O-N 2.82Å; K635-S637 VanDerWaalsContact C-N 3.29Å; K635-S637 PolarHBondContact O-N 3.37Å; K635-H638 HydrophobicContact CB-CB 4.47Å; K635-H638 PolarHBondContact O-N 3.32Å; K635-L639 PolarHBondContact O-N 3.14Å |
| 636 | T | 79.2 | Confident | 79.8 | Confident | 75 Ų | 75 | 79.7 Ų | 79.7 | 46% | 0.46 | 43% | 0.432 | S | S | . | . | H | α-helix | trans | -59.4 | -37 | 173.3 | 47.8 | 0 | 0 | 0 | 0 | 112.9 | H622 H638 L639 R640 | H622-T636 WeakPolarHBondContact CE1-CG2 3.37Å; T636-H638 VanDerWaalsContact C-N 3.33Å; T636-H638 PolarHBondContact O-N 2.88Å; T636-L639 PolarHBondContact O-N 2.87Å; T636-R640 WeakPolarHBondContact O-CG 3.43Å; T636-R640 PolarHBondContact O-N 3.26Å |
| 637 | S | 79.5 | Confident | 79.8 | Confident | 63 Ų | 63 | 79.8 Ų | 79.8 | 44% | 0.441 | 44% | 0.437 | S | S | . | . | H | α-helix | trans | -61.4 | -40.1 | 177.4 | 53.1 | 0 | 0 | 0 | 0 | 112.2 | K635 R640 A641 | K635-S637 VanDerWaalsContact C-N 3.29Å; K635-S637 PolarHBondContact O-N 3.37Å; S637-R640 PolarHBondContact O-N 3.46Å; S637-A641 WeakPolarHBondContact O-CB 3.38Å; S637-A641 PolarHBondContact O-N 2.81Å |
| 638 | H | 82.4 | Confident | 79.9 | Confident | 98 Ų | 98 | 73.1 Ų | 73.1 | 45% | 0.454 | 42% | 0.421 | S | S | . | . | H | α-helix | trans | -70.2 | -40.9 | 178.7 | -63.6 | -170.6 | 0 | 0 | 0 | 111.3 | Y633 K635 T636 A641 H642 | Y633-H638 HydrophobicContact CD1-CB 3.69Å; Y633-H638 HydrophobicContact CG-CB 4.16Å; K635-H638 HydrophobicContact CB-CB 4.47Å; K635-H638 PolarHBondContact O-N 3.32Å; T636-H638 VanDerWaalsContact C-N 3.33Å; T636-H638 PolarHBondContact O-N 2.88Å; H638-A641 PolarHBondContact O-N 3.2Å; H638-H642 WeakPolarHBondContact O-CB 3.47Å; H638-H642 PolarHBondContact O-N 3.17Å |
| 639 | L | 83.7 | Confident | 79.8 | Confident | 27 Ų | 27 | 73.9 Ų | 73.9 | 14% | 0.141 | 40% | 0.4 | C | S | . | . | H | α-helix | trans | -61.9 | -44.6 | 172.6 | 176.1 | 60.7 | 0 | 0 | 0 | 111.3 | H622 C624 Y633 K635 T636 A641 H642 L643 | H622-L639 HydrophobicContact CB-CB 4.09Å; H622-L639 HydrophobicContact CB-CD2 3.81Å; C624-L639 HydrophobicContact CB-CD1 3.76Å; Y633-L639 HydrophobicContact CD2-CB 4.06Å; Y633-L639 HydrophobicContact CD2-CD1 3.92Å; Y633-L639 HydrophobicContact CE2-CD1 4.25Å; Y633-L639 HydrophobicContact CG-CB 4.34Å; K635-L639 PolarHBondContact O-N 3.14Å; T636-L639 PolarHBondContact O-N 2.87Å; L639-A641 PolarHBondContact O-N 2.76Å; L639-H642 PolarHBondContact O-N 2.69Å; L639-L643 HydrophobicContact CD1-CD1 4.21Å; L639-L643 HydrophobicContact CD1-CG 4.1Å; L639-L643 HydrophobicContact CG-CD1 4.02Å; L639-L643 HydrophobicContact CG-CG 4.38Å; L639-L643 WeakPolarHBondContact O-CG 3.45Å; L639-L643 PolarHBondContact O-N 3.06Å |
| 640 | R | 79.6 | Confident | 79.6 | Confident | 129 Ų | 129 | 78.9 Ų | 78.9 | 49% | 0.487 | 42% | 0.416 | S | S | . | . | H | α-helix | trans | -61.4 | -43.7 | 176.2 | -77.1 | 178.9 | 173.5 | 156.1 | -0.2 | 112.4 | T636 S637 H642 L643 R644 | T636-R640 WeakPolarHBondContact O-CG 3.43Å; T636-R640 PolarHBondContact O-N 3.26Å; S637-R640 PolarHBondContact O-N 3.46Å; R640-H642 VanDerWaalsContact C-N 3.31Å; R640-H642 PolarHBondContact O-N 2.78Å; R640-L643 PolarHBondContact O-N 3.23Å; R640-R644 PolarHBondContact O-N 2.98Å |
| 641 | A | 79.2 | Confident | 79.5 | Confident | 29 Ų | 29 | 79.5 Ų | 79.5 | 24% | 0.24 | 41% | 0.411 | C | S | . | . | H | α-helix | trans | -64.4 | -35.3 | 175.7 | 0 | 0 | 0 | 0 | 0 | 112.3 | S637 H638 L639 R665 | S637-A641 WeakPolarHBondContact O-CB 3.38Å; S637-A641 PolarHBondContact O-N 2.81Å; H638-A641 PolarHBondContact O-N 3.2Å; L639-A641 PolarHBondContact O-N 2.76Å; A641-R665 HydrophobicContact CB-CG 4.46Å |
| 642 | H | 82.6 | Confident | 79.3 | Confident | 21 Ų | 21 | 77.4 Ų | 77.4 | 10% | 0.097 | 40% | 0.402 | C | S | . | . | H | α-helix | trans | -70.6 | -39.9 | 173.7 | 168.3 | 49.7 | 0 | 0 | 0 | 112.9 | C624 C629 Y633 H638 L639 R640 R644 W645 H646 | C624-H642 VanDerWaalsContact SG-CD2 3.6Å; C624-H642 PolarHBondContact SG-NE2 2.8Å; C629-H642 VanDerWaalsContact SG-CE1 3.56Å; C629-H642 PolarHBondContact SG-NE2 3.28Å; Y633-H642 HydrophobicContact CE1-CB 4.28Å; Y633-H642 HydrophobicContact CE2-CB 3.93Å; Y633-H642 AromaticContact CE2-CD2 3.42Å; Y633-H642 VanDerWaalsContact CE2-CD2 3.42Å; Y633-H642 WeakPolarHBondContact CE2-CD2 3.42Å; Y633-H642 AromaticContact CE2-CG 3.78Å; Y633-H642 AromaticContact CZ-CD2 3.74Å; Y633-H642 AromaticContact CZ-CG 3.62Å; Y633-H642 PolarHBondContact OH-CD2 3.29Å; H638-H642 WeakPolarHBondContact O-CB 3.47Å; H638-H642 PolarHBondContact O-N 3.17Å; L639-H642 PolarHBondContact O-N 2.69Å; R640-H642 VanDerWaalsContact C-N 3.31Å; R640-H642 PolarHBondContact O-N 2.78Å; H642-R644 PolarHBondContact O-N 3.01Å; H642-W645 VanDerWaalsContact O-CB 3.25Å; H642-W645 WeakPolarHBondContact O-CB 3.31Å; H642-W645 PolarHBondContact O-N 3.35Å; H642-H646 AromaticContact CD2-NE2 3.69Å; H642-H646 AromaticContact CE1-CD2 3.6Å; H642-H646 AromaticContact CE1-NE2 2.69Å; H642-H646 PolarHBondContact CE1-NE2 3.37Å; H642-H646 AromaticContact ND1-NE2 3.92Å; H642-H646 AromaticContact NE2-CD2 3.6Å; H642-H646 AromaticContact NE2-NE2 2.44Å; H642-H646 PolarHBondContact NE2-NE2 3.19Å |
| 643 | L | 80 | Confident | 79.1 | Confident | 58 Ų | 58 | 76.3 Ų | 76.3 | 30% | 0.304 | 40% | 0.396 | S | S | . | . | H | α-helix | trans | -60.1 | -28 | 177.6 | -74.5 | 167.9 | 0 | 0 | 0 | 112.5 | M626 L639 R640 W645 H646 T647 | M626-L643 HydrophobicContact CG-CD2 3.79Å; M626-L643 HydrophobicContact SD-CD2 4.42Å; L639-L643 HydrophobicContact CD1-CD1 4.21Å; L639-L643 HydrophobicContact CD1-CG 4.1Å; L639-L643 HydrophobicContact CG-CD1 4.02Å; L639-L643 HydrophobicContact CG-CG 4.38Å; L639-L643 WeakPolarHBondContact O-CG 3.45Å; L639-L643 PolarHBondContact O-N 3.06Å; R640-L643 PolarHBondContact O-N 3.23Å; L643-W645 PolarHBondContact O-N 2.95Å; L643-H646 WeakPolarHBondContact O-CB 3.44Å; L643-H646 PolarHBondContact O-N 3.26Å; L643-T647 PolarHBondContact O-N 3.25Å; L643-T647 PolarHBondContact O-OG1 2.99Å |
| 644 | R | 79.8 | Confident | 79.2 | Confident | 67 Ų | 67 | 74.1 Ų | 74.1 | 25% | 0.253 | 39% | 0.388 | S | S | . | . | H | α-helix | trans | -61.4 | -23.8 | 171.5 | -67.6 | -175.8 | 177.6 | 151.7 | 3.1 | 114.7 | R640 H642 T647 G648 E649 T664 | R640-R644 PolarHBondContact O-N 2.98Å; H642-R644 PolarHBondContact O-N 3.01Å; R644-T647 WeakPolarHBondContact CA-OG1 3.36Å; R644-G648 CarbonylContact O-C 3.55Å; R644-G648 WeakPolarHBondContact O-CA 3.45Å; R644-G648 PolarHBondContact O-N 2.92Å; R644-E649 HydrophobicContact CB-CB 4.2Å; R644-E649 WeakPolarHBondContact CB-O 3.48Å; R644-E649 HydrophobicContact CG-CB 3.93Å; R644-E649 PolarHBondContact O-N 3.24Å; R644-T664 WeakPolarHBondContact CD-O 3.14Å; R644-T664 PolarHBondContact NH1-O 2.8Å |
| 645 | W | 73.8 | Confident | 79 | Confident | 182 Ų | 182 | 78.7 Ų | 78.7 | 69% | 0.689 | 40% | 0.398 | S | S | * | . | H | α-helix | trans | -71.3 | -35.7 | 172.1 | -176.9 | 80.2 | 0 | 0 | 0 | 111.4 | H642 L643 | H642-W645 VanDerWaalsContact O-CB 3.25Å; H642-W645 WeakPolarHBondContact O-CB 3.31Å; H642-W645 PolarHBondContact O-N 3.35Å; L643-W645 PolarHBondContact O-N 2.95Å |
| 646 | H | 75.9 | Confident | 78.8 | Confident | 63 Ų | 63 | 77.9 Ų | 77.9 | 29% | 0.292 | 39% | 0.391 | S | S | . | . | H | α-helix | trans | -75.8 | -34.8 | 174.7 | -69.4 | -77 | 0 | 0 | 0 | 113.2 | C624 M626 C629 H642 L643 | C624-H646 PolarHBondContact SG-NE2 2.99Å; M626-H646 HydrophobicContact CE-CB 4.25Å; M626-H646 HydrophobicContact CG-CB 4.24Å; C629-H646 WeakPolarHBondContact CB-CE1 3.48Å; C629-H646 WeakPolarHBondContact CB-NE2 3.37Å; C629-H646 PolarHBondContact SG-CE1 3.21Å; C629-H646 PolarHBondContact SG-NE2 2.94Å; H642-H646 AromaticContact CD2-NE2 3.69Å; H642-H646 AromaticContact CE1-CD2 3.6Å; H642-H646 AromaticContact CE1-NE2 2.69Å; H642-H646 PolarHBondContact CE1-NE2 3.37Å; H642-H646 AromaticContact ND1-NE2 3.92Å; H642-H646 AromaticContact NE2-CD2 3.6Å; H642-H646 AromaticContact NE2-NE2 2.44Å; H642-H646 PolarHBondContact NE2-NE2 3.19Å; L643-H646 WeakPolarHBondContact O-CB 3.44Å; L643-H646 PolarHBondContact O-N 3.26Å |
| 647 | T | 73.8 | Confident | 78.1 | Confident | 87 Ų | 87 | 82.4 Ų | 82.4 | 53% | 0.534 | 41% | 0.411 | S | S | . | . | H | α-helix | trans | -91.6 | -6.5 | -179.4 | 62 | 0 | 0 | 0 | 0 | 114.3 | L643 R644 E649 | L643-T647 PolarHBondContact O-N 3.25Å; L643-T647 PolarHBondContact O-OG1 2.99Å; R644-T647 WeakPolarHBondContact CA-OG1 3.36Å; T647-E649 PolarHBondContact O-N 2.76Å; T647-E649 WeakPolarHBondContact OG1-CG 3.48Å |
| 648 | G | 72.6 | Confident | 77.8 | Confident | 54 Ų | 54 | 87 Ų | 87 | 56% | 0.557 | 42% | 0.423 | S | S | * | . | | | trans | 68.7 | 7.2 | -174.6 | 0 | 0 | 0 | 0 | 0 | 114.7 | R644 R650 | R644-G648 CarbonylContact O-C 3.55Å; R644-G648 WeakPolarHBondContact O-CA 3.45Å; R644-G648 PolarHBondContact O-N 2.92Å; G648-R650 PolarHBondContact O-N 3.38Å |
| 649 | E | 72.4 | Confident | 77.9 | Confident | 106 Ų | 106 | 83.9 Ų | 83.9 | 50% | 0.495 | 41% | 0.412 | S | S | . | . | | | trans | -65.8 | 106.8 | -177.1 | -81.8 | -176.6 | -171.6 | 0 | 0 | 112.2 | R644 T647 P651 | R644-E649 HydrophobicContact CB-CB 4.2Å; R644-E649 WeakPolarHBondContact CB-O 3.48Å; R644-E649 HydrophobicContact CG-CB 3.93Å; R644-E649 PolarHBondContact O-N 3.24Å; T647-E649 PolarHBondContact O-N 2.76Å; T647-E649 WeakPolarHBondContact OG1-CG 3.48Å; E649-P651 VanDerWaalsContact C-CD 3.4Å; E649-P651 WeakPolarHBondContact O-CD 3.04Å |
| 650 | R | 76.9 | Confident | 77.5 | Confident | 126 Ų | 126 | 84.8 Ų | 84.8 | 48% | 0.475 | 43% | 0.428 | S | S | . | . | | | trans | -110 | 77.9 | 172.8 | -61.1 | 172.1 | 85.2 | 147.9 | 3.2 | 109.6 | G648 R662 F663 T664 | G648-R650 PolarHBondContact O-N 3.38Å; R650-R662 HydrophobicContact CB-CB 3.61Å; R650-R662 PolarHBondContact NE-O 3.33Å; R650-R662 PolarHBondContact NH2-O 2.37Å; R650-R662 PolarHBondContact O-NE 3.34Å; R650-R662 PolarHBondContact O-NH2 3.24Å; R650-F663 CarbonylContact C-O 3.35Å; R650-F663 WeakPolarHBondContact CA-O 3.44Å; R650-T664 HydrophobicContact CG-CG2 4.09Å |
| 651 | P | 76.8 | Confident | 77.5 | Confident | 62 Ų | 62 | 82.9 Ų | 82.9 | 40% | 0.403 | 42% | 0.423 | S | S | . | . | | | trans | -76.8 | -21.1 | -171.9 | 31.1 | -37.1 | 0 | 0 | 0 | 113.8 | E649 | E649-P651 VanDerWaalsContact C-CD 3.4Å; E649-P651 WeakPolarHBondContact O-CD 3.04Å |
| 652 | F | 79.8 | Confident | 77.7 | Confident | 63 Ų | 63 | 87.9 Ų | 87.9 | 28% | 0.276 | 44% | 0.436 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -91 | 116.6 | 180 | -59.4 | -74.5 | 0 | 0 | 0 | 109.4 | R662 F663 R665 L669 | F652-R662 CarbonylContact O-C 3.5Å; F652-R662 WeakPolarHBondContact O-CA 3.3Å; F652-F663 HydrophobicContact CB-CB 4.23Å; F652-F663 PolarHBondContact N-O 3.49Å; F652-F663 PolarHBondContact O-N 3.27Å; F652-R665 WeakPolarHBondContact CD2-O 3.3Å; F652-R665 VanDerWaalsContact CE2-C 3.42Å; F652-L669 HydrophobicContact CB-CB 4.03Å; F652-L669 HydrophobicContact CB-CD2 3.84Å |
| 653 | V | 80.6 | Confident | 77.7 | Confident | 55 Ų | 55 | 87.8 Ų | 87.8 | 33% | 0.333 | 44% | 0.435 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.7 | 143 | -177 | -173.4 | 0 | 0 | 0 | 0 | 109.8 | N655 R662 L669 | V653-N655 PolarHBondContact O-N 3.2Å; V653-N655 PolarHBondContact O-OD1 2.44Å; V653-R662 HydrophobicContact CG1-CG 4.33Å; V653-R662 HydrophobicContact CG2-CG 4.15Å; V653-L669 WeakPolarHBondContact O-CD1 3.14Å; V653-L669 WeakPolarHBondContact O-CD2 3.11Å |
| 654 | C | 87.5 | Confident | 77.6 | Confident | 5 Ų | 5 | 86.7 Ų | 86.7 | 3% | 0.034 | 43% | 0.431 | C | S | . | . | | | trans | -72.4 | 109.7 | 167.5 | -164.4 | 0 | 0 | 0 | 0 | 110 | W656 C659 K661 F663 L669 H672 | C654-W656 PolarHBondContact O-N 2.69Å; C654-C659 HydrophobicContact CB-CB 4.46Å; C654-K661 WeakPolarHBondContact CB-O 3.27Å; C654-K661 PolarHBondContact N-O 3.23Å; C654-F663 HydrophobicContact CB-CE2 4.45Å; C654-L669 HydrophobicContact CB-CD1 4.09Å; C654-H672 PolarHBondContact SG-NE2 3.4Å; C654-H672 VanDerWaalsContact SG-NE2 3.4Å |
| 655 | N | 80.1 | Confident | 77.5 | Confident | 159 Ų | 159 | 89.5 Ų | 89.5 | 85% | 0.85 | 44% | 0.441 | S | S | * | . | | | trans | -64.6 | 4.4 | 175.8 | -63.3 | 1.2 | 0 | 0 | 0 | 114 | V653 | V653-N655 PolarHBondContact O-N 3.2Å; V653-N655 PolarHBondContact O-OD1 2.44Å |
| 656 | W | 77.9 | Confident | 77.8 | Confident | 107 Ų | 107 | 84.2 Ų | 84.2 | 41% | 0.405 | 43% | 0.432 | S | S | . | . | | | trans | -82.3 | 119 | 176.4 | -164.6 | -69.7 | 0 | 0 | 0 | 110.3 | C654 F658 C659 H676 | C654-W656 PolarHBondContact O-N 2.69Å; W656-F658 VanDerWaalsContact C-N 3.33Å; W656-F658 AromaticContact CD1-CD1 3.93Å; W656-F658 AromaticContact CD1-CD2 3.5Å; W656-F658 VanDerWaalsContact CD1-CD2 3.5Å; W656-F658 AromaticContact CD1-CE1 3.99Å; W656-F658 AromaticContact CD1-CE2 3.53Å; W656-F658 AromaticContact CD1-CG 3.71Å; W656-F658 AromaticContact CD1-CZ 3.8Å; W656-F658 AromaticContact CE2-CE1 3.92Å; W656-F658 AromaticContact CE2-CZ 3.68Å; W656-F658 HydrophobicContact CZ2-CE1 4.2Å; W656-F658 HydrophobicContact CZ2-CZ 4Å; W656-F658 AromaticContact NE1-CD1 3.36Å; W656-F658 AromaticContact NE1-CD2 3.55Å; W656-F658 AromaticContact NE1-CE1 3.05Å; W656-F658 AromaticContact NE1-CE2 3.22Å; W656-F658 AromaticContact NE1-CG 3.62Å; W656-F658 AromaticContact NE1-CZ 2.97Å; W656-F658 PolarHBondContact O-N 3.17Å; W656-F658 VanDerWaalsContact O-N 3.16Å; W656-C659 HydrophobicContact CB-CB 4.07Å; W656-C659 WeakPolarHBondContact O-CB 3.39Å; W656-C659 PolarHBondContact O-N 3.28Å; W656-H676 HydrophobicContact CD2-CB 4.14Å; W656-H676 HydrophobicContact CE3-CB 3.69Å; W656-H676 HydrophobicContact CH2-CB 4.42Å; W656-H676 HydrophobicContact CZ3-CB 3.85Å |
| 657 | I | 65.6 | Low | 78 | Confident | 169 Ų | 169 | 83.6 Ų | 83.6 | 87% | 0.867 | 43% | 0.431 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.8 | -39.5 | -163.1 | -163 | 68.7 | 0 | 0 | 0 | 114.6 | | |
| 658 | F | 73.1 | Confident | 78.4 | Confident | 160 Ų | 160 | 81.8 Ų | 81.8 | 70% | 0.702 | 42% | 0.417 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -87.8 | 0.6 | 179.1 | 62 | -128 | 0 | 0 | 0 | 114.8 | W656 | W656-F658 VanDerWaalsContact C-N 3.33Å; W656-F658 AromaticContact CD1-CD1 3.93Å; W656-F658 AromaticContact CD1-CD2 3.5Å; W656-F658 VanDerWaalsContact CD1-CD2 3.5Å; W656-F658 AromaticContact CD1-CE1 3.99Å; W656-F658 AromaticContact CD1-CE2 3.53Å; W656-F658 AromaticContact CD1-CG 3.71Å; W656-F658 AromaticContact CD1-CZ 3.8Å; W656-F658 AromaticContact CE2-CE1 3.92Å; W656-F658 AromaticContact CE2-CZ 3.68Å; W656-F658 HydrophobicContact CZ2-CE1 4.2Å; W656-F658 HydrophobicContact CZ2-CZ 4Å; W656-F658 AromaticContact NE1-CD1 3.36Å; W656-F658 AromaticContact NE1-CD2 3.55Å; W656-F658 AromaticContact NE1-CE1 3.05Å; W656-F658 AromaticContact NE1-CE2 3.22Å; W656-F658 AromaticContact NE1-CG 3.62Å; W656-F658 AromaticContact NE1-CZ 2.97Å; W656-F658 PolarHBondContact O-N 3.17Å; W656-F658 VanDerWaalsContact O-N 3.16Å |
| 659 | C | 84.8 | Confident | 79.1 | Confident | 33 Ų | 33 | 80.5 Ų | 80.5 | 22% | 0.223 | 40% | 0.397 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -102.5 | -50.8 | -172.7 | -172.8 | 0 | 0 | 0 | 0 | 113.7 | C654 W656 K661 H672 H676 | C654-C659 HydrophobicContact CB-CB 4.46Å; W656-C659 HydrophobicContact CB-CB 4.07Å; W656-C659 WeakPolarHBondContact O-CB 3.39Å; W656-C659 PolarHBondContact O-N 3.28Å; C659-K661 PolarHBondContact O-N 2.85Å; C659-H672 VanDerWaalsContact SG-CE1 3.52Å; C659-H672 PolarHBondContact SG-NE2 3.34Å; C659-H676 PolarHBondContact SG-CE1 3.41Å; C659-H676 PolarHBondContact SG-NE2 3.46Å; C659-H676 VanDerWaalsContact SG-NE2 3.35Å |
| 660 | G | 74.7 | Confident | 79.6 | Confident | 46 Ų | 46 | 80.3 Ų | 80.3 | 47% | 0.474 | 40% | 0.396 | S | S | . | . | | | trans | 61 | -9.2 | 178.2 | 0 | 0 | 0 | 0 | 0 | 117.4 | R662 | G660-R662 WeakPolarHBondContact O-CG 3.41Å; G660-R662 PolarHBondContact O-N 2.91Å |
| 661 | K | 80.8 | Confident | 79.9 | Confident | 89 Ų | 89 | 78.7 Ų | 78.7 | 39% | 0.387 | 39% | 0.39 | S | S | . | . | | | trans | -56.3 | 135.7 | -174.4 | -74 | -166.6 | 171.6 | -174.8 | 0 | 111.2 | C654 C659 F663 E765 | C654-K661 WeakPolarHBondContact CB-O 3.27Å; C654-K661 PolarHBondContact N-O 3.23Å; C659-K661 PolarHBondContact O-N 2.85Å; K661-F663 HydrophobicContact CB-CE2 3.84Å; K661-F663 HydrophobicContact CB-CZ 3.6Å; K661-F663 VanDerWaalsContact O-CE2 3.3Å; K661-F663 WeakPolarHBondContact O-CE2 3.35Å; K661-E765 PolarHBondContact NZ-OXT 2.89Å |
| 662 | R | 82.8 | Confident | 80.4 | Confident | 133 Ų | 133 | 76.9 Ų | 76.9 | 50% | 0.502 | 38% | 0.376 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.8 | 146.4 | -175.6 | -52.3 | -176.9 | 62 | 158.7 | 1 | 110.7 | R650 F652 V653 G660 | R650-R662 HydrophobicContact CB-CB 3.61Å; R650-R662 PolarHBondContact NE-O 3.33Å; R650-R662 PolarHBondContact NH2-O 2.37Å; R650-R662 PolarHBondContact O-NE 3.34Å; R650-R662 PolarHBondContact O-NH2 3.24Å; F652-R662 CarbonylContact O-C 3.5Å; F652-R662 WeakPolarHBondContact O-CA 3.3Å; V653-R662 HydrophobicContact CG1-CG 4.33Å; V653-R662 HydrophobicContact CG2-CG 4.15Å; G660-R662 WeakPolarHBondContact O-CG 3.41Å; G660-R662 PolarHBondContact O-N 2.91Å |
| 663 | F | 82.8 | Confident | 80.5 | Confident | 20 Ų | 20 | 81.4 Ų | 81.4 | 9% | 0.088 | 39% | 0.391 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.6 | 151.8 | -169.7 | -58.6 | -73.4 | 0 | 0 | 0 | 111.3 | R650 F652 C654 K661 E668 L669 H672 | R650-F663 CarbonylContact C-O 3.35Å; R650-F663 WeakPolarHBondContact CA-O 3.44Å; F652-F663 HydrophobicContact CB-CB 4.23Å; F652-F663 PolarHBondContact N-O 3.49Å; F652-F663 PolarHBondContact O-N 3.27Å; C654-F663 HydrophobicContact CB-CE2 4.45Å; K661-F663 HydrophobicContact CB-CE2 3.84Å; K661-F663 HydrophobicContact CB-CZ 3.6Å; K661-F663 VanDerWaalsContact O-CE2 3.3Å; K661-F663 WeakPolarHBondContact O-CE2 3.35Å; F663-E668 HydrophobicContact CB-CB 4.15Å; F663-E668 HydrophobicContact CB-CG 4.07Å; F663-E668 WeakPolarHBondContact CB-OE2 3.25Å; F663-E668 HydrophobicContact CD1-CB 4.4Å; F663-E668 HydrophobicContact CD1-CG 3.57Å; F663-E668 HydrophobicContact CE1-CG 4.42Å; F663-E668 HydrophobicContact CG-CB 4.49Å; F663-E668 HydrophobicContact CG-CG 4.11Å; F663-L669 HydrophobicContact CB-CB 4.27Å; F663-L669 HydrophobicContact CD2-CB 3.85Å; F663-L669 HydrophobicContact CD2-CD1 3.86Å; F663-L669 HydrophobicContact CD2-CG 4.45Å; F663-L669 HydrophobicContact CE2-CD1 4.06Å; F663-L669 HydrophobicContact CG-CB 4.29Å; F663-H672 HydrophobicContact CE1-CB 4.14Å; F663-H672 HydrophobicContact CE2-CB 3.93Å; F663-H672 AromaticContact CE2-CD2 3.28Å; F663-H672 WeakPolarHBondContact CE2-CD2 3.37Å; F663-H672 AromaticContact CE2-CG 3.65Å; F663-H672 HydrophobicContact CZ-CB 3.58Å; F663-H672 AromaticContact CZ-CD2 3.37Å; F663-H672 WeakPolarHBondContact CZ-CD2 3.48Å; F663-H672 AromaticContact CZ-CG 3.28Å; F663-H672 AromaticContact CZ-ND1 3.89Å; F663-H672 AromaticContact CZ-NE2 3.99Å |
| 664 | T | 76.5 | Confident | 80.6 | Confident | 34 Ų | 34 | 80.4 Ų | 80.4 | 21% | 0.209 | 38% | 0.381 | C | S | . | . | S | Bend | trans | -83 | -23.6 | -179.2 | 62.1 | 0 | 0 | 0 | 0 | 111.7 | R644 R650 E668 | R644-T664 WeakPolarHBondContact CD-O 3.14Å; R644-T664 PolarHBondContact NH1-O 2.8Å; R650-T664 HydrophobicContact CG-CG2 4.09Å; T664-E668 PolarHBondContact N-OE2 3.4Å; T664-E668 PolarHBondContact OG1-OE2 3.47Å |
| 665 | R | 79.1 | Confident | 80.3 | Confident | 126 Ų | 126 | 83.7 Ų | 83.7 | 48% | 0.475 | 40% | 0.402 | S | S | . | . | S | Bend | trans | -130 | 155.9 | -174.9 | -64.7 | 168.9 | 53.4 | 151.4 | 0.9 | 112.6 | A641 F652 D667 E668 L669 | A641-R665 HydrophobicContact CB-CG 4.46Å; F652-R665 WeakPolarHBondContact CD2-O 3.3Å; F652-R665 VanDerWaalsContact CE2-C 3.42Å; R665-D667 WeakPolarHBondContact CB-OD1 3.34Å; R665-D667 IonicContact CZ-OD1 2.82Å; R665-D667 IonicContact CZ-OD2 3.26Å; R665-D667 IonicContact NE-OD1 2.76Å; R665-D667 PolarHBondContact NE-OD1 3.28Å; R665-D667 IonicContact NE-OD2 3.25Å; R665-D667 VanDerWaalsContact NH2-CG 3.27Å; R665-D667 IonicContact NH2-OD1 3.76Å; R665-D667 PolarHBondContact NH2-OD1 2.78Å; R665-D667 IonicContact NH2-OD2 3.8Å; R665-D667 PolarHBondContact NH2-OD2 2.77Å; R665-E668 HydrophobicContact CB-CB 4Å; R665-E668 PolarHBondContact N-OE2 2.92Å; R665-E668 WeakPolarHBondContact O-CB 3.44Å; R665-L669 PolarHBondContact O-N 3.31Å |
| 666 | S | 79.3 | Confident | 80.2 | Confident | 71 Ų | 71 | 78.4 Ų | 78.4 | 50% | 0.497 | 37% | 0.372 | S | S | . | . | H | α-helix | trans | -72.6 | -42.6 | 179.1 | 42.7 | 0 | 0 | 0 | 0 | 112.6 | E668 L669 Q670 | S666-E668 PolarHBondContact O-N 2.87Å; S666-L669 PolarHBondContact O-N 3.34Å; S666-Q670 WeakPolarHBondContact O-CB 3.28Å; S666-Q670 PolarHBondContact O-N 3.3Å |
| 667 | D | 80.8 | Confident | 80.3 | Confident | 51 Ų | 51 | 77 Ų | 77 | 27% | 0.273 | 38% | 0.375 | S | S | . | . | H | α-helix | trans | -62.1 | -30.4 | 176.1 | 65.6 | -85 | 0 | 0 | 0 | 112.4 | R665 R671 | R665-D667 WeakPolarHBondContact CB-OD1 3.34Å; R665-D667 IonicContact CZ-OD1 2.82Å; R665-D667 IonicContact CZ-OD2 3.26Å; R665-D667 IonicContact NE-OD1 2.76Å; R665-D667 PolarHBondContact NE-OD1 3.28Å; R665-D667 IonicContact NE-OD2 3.25Å; R665-D667 VanDerWaalsContact NH2-CG 3.27Å; R665-D667 IonicContact NH2-OD1 3.76Å; R665-D667 PolarHBondContact NH2-OD1 2.78Å; R665-D667 IonicContact NH2-OD2 3.8Å; R665-D667 PolarHBondContact NH2-OD2 2.77Å; D667-R671 WeakPolarHBondContact O-CB 3.37Å; D667-R671 PolarHBondContact O-N 2.93Å; D667-R671 IonicContact OD2-NH2 3.46Å; D667-R671 PolarHBondContact OD2-NH2 2.94Å |
| 668 | E | 82.4 | Confident | 80.8 | Confident | 48 Ų | 48 | 70.8 Ų | 70.8 | 22% | 0.224 | 35% | 0.353 | C | S | . | . | H | α-helix | trans | -68.6 | -48.2 | 176.3 | -166.8 | -171.4 | -169.9 | 0 | 0 | 110.7 | F663 T664 R665 S666 R671 H672 | F663-E668 HydrophobicContact CB-CB 4.15Å; F663-E668 HydrophobicContact CB-CG 4.07Å; F663-E668 WeakPolarHBondContact CB-OE2 3.25Å; F663-E668 HydrophobicContact CD1-CB 4.4Å; F663-E668 HydrophobicContact CD1-CG 3.57Å; F663-E668 HydrophobicContact CE1-CG 4.42Å; F663-E668 HydrophobicContact CG-CB 4.49Å; F663-E668 HydrophobicContact CG-CG 4.11Å; T664-E668 PolarHBondContact N-OE2 3.4Å; T664-E668 PolarHBondContact OG1-OE2 3.47Å; R665-E668 HydrophobicContact CB-CB 4Å; R665-E668 PolarHBondContact N-OE2 2.92Å; R665-E668 WeakPolarHBondContact O-CB 3.44Å; S666-E668 PolarHBondContact O-N 2.87Å; E668-R671 PolarHBondContact O-N 2.88Å; E668-H672 WeakPolarHBondContact O-CB 3.13Å; E668-H672 PolarHBondContact O-N 3.47Å |
| 669 | L | 86.5 | Confident | 80.9 | Confident | 27 Ų | 27 | 66.5 Ų | 66.5 | 14% | 0.141 | 34% | 0.335 | C | S | . | . | H | α-helix | trans | -61.7 | -43.5 | 171.4 | 170.4 | 60.7 | 0 | 0 | 0 | 112.2 | F652 V653 C654 F663 R665 S666 H672 R673 | F652-L669 HydrophobicContact CB-CB 4.03Å; F652-L669 HydrophobicContact CB-CD2 3.84Å; V653-L669 WeakPolarHBondContact O-CD1 3.14Å; V653-L669 WeakPolarHBondContact O-CD2 3.11Å; C654-L669 HydrophobicContact CB-CD1 4.09Å; F663-L669 HydrophobicContact CB-CB 4.27Å; F663-L669 HydrophobicContact CD2-CB 3.85Å; F663-L669 HydrophobicContact CD2-CD1 3.86Å; F663-L669 HydrophobicContact CD2-CG 4.45Å; F663-L669 HydrophobicContact CE2-CD1 4.06Å; F663-L669 HydrophobicContact CG-CB 4.29Å; R665-L669 PolarHBondContact O-N 3.31Å; S666-L669 PolarHBondContact O-N 3.34Å; L669-H672 PolarHBondContact O-N 2.85Å; L669-R673 HydrophobicContact CD1-CG 4.16Å; L669-R673 WeakPolarHBondContact O-CG 3.45Å; L669-R673 PolarHBondContact O-N 2.84Å |
| 670 | Q | 83.8 | Confident | 80.6 | Confident | 102 Ų | 102 | 70.5 Ų | 70.5 | 48% | 0.477 | 35% | 0.348 | S | S | . | . | H | α-helix | trans | -65.3 | -41 | -179.3 | -169 | -170.7 | 7.7 | 0 | 0 | 111.4 | S666 R673 R674 | S666-Q670 WeakPolarHBondContact O-CB 3.28Å; S666-Q670 PolarHBondContact O-N 3.3Å; Q670-R673 PolarHBondContact O-N 3.29Å; Q670-R674 PolarHBondContact O-N 3.4Å |
| 671 | R | 82.3 | Confident | 80.9 | Confident | 92 Ų | 92 | 73.7 Ų | 73.7 | 35% | 0.347 | 35% | 0.346 | S | S | . | . | H | α-helix | trans | -62 | -44 | 172.5 | -169.3 | -165.3 | -43 | 123.4 | 10.7 | 111.3 | D667 E668 R674 R693 | D667-R671 WeakPolarHBondContact O-CB 3.37Å; D667-R671 PolarHBondContact O-N 2.93Å; D667-R671 IonicContact OD2-NH2 3.46Å; D667-R671 PolarHBondContact OD2-NH2 2.94Å; E668-R671 PolarHBondContact O-N 2.88Å; R671-R674 WeakPolarHBondContact O-CB 3.37Å; R671-R674 PolarHBondContact O-N 3.47Å; R671-R693 HydrophobicContact CG-CG 4.12Å |
| 672 | H | 86.4 | Confident | 80.9 | Confident | 24 Ų | 24 | 70.6 Ų | 70.6 | 11% | 0.111 | 33% | 0.333 | C | S | . | . | H | α-helix | trans | -64.5 | -38.7 | 175.6 | 169.6 | 63.6 | 0 | 0 | 0 | 112.7 | C654 C659 F663 E668 L669 R674 T675 H676 | C654-H672 PolarHBondContact SG-NE2 3.4Å; C654-H672 VanDerWaalsContact SG-NE2 3.4Å; C659-H672 VanDerWaalsContact SG-CE1 3.52Å; C659-H672 PolarHBondContact SG-NE2 3.34Å; F663-H672 HydrophobicContact CE1-CB 4.14Å; F663-H672 HydrophobicContact CE2-CB 3.93Å; F663-H672 AromaticContact CE2-CD2 3.28Å; F663-H672 WeakPolarHBondContact CE2-CD2 3.37Å; F663-H672 AromaticContact CE2-CG 3.65Å; F663-H672 HydrophobicContact CZ-CB 3.58Å; F663-H672 AromaticContact CZ-CD2 3.37Å; F663-H672 WeakPolarHBondContact CZ-CD2 3.48Å; F663-H672 AromaticContact CZ-CG 3.28Å; F663-H672 AromaticContact CZ-ND1 3.89Å; F663-H672 AromaticContact CZ-NE2 3.99Å; E668-H672 WeakPolarHBondContact O-CB 3.13Å; E668-H672 PolarHBondContact O-N 3.47Å; L669-H672 PolarHBondContact O-N 2.85Å; H672-R674 PolarHBondContact O-N 3.41Å; H672-R674 VanDerWaalsContact O-N 3.14Å; H672-T675 WeakPolarHBondContact O-CB 3.42Å; H672-T675 PolarHBondContact O-N 3.5Å; H672-T675 PolarHBondContact O-OG1 3.26Å; H672-H676 AromaticContact CE1-CE1 3.94Å; H672-H676 AromaticContact CE1-NE2 3.26Å; H672-H676 PolarHBondContact CE1-NE2 3.39Å; H672-H676 VanDerWaalsContact CE1-NE2 3.26Å; H672-H676 AromaticContact NE2-CD2 3.82Å; H672-H676 AromaticContact NE2-NE2 3.03Å; H672-H676 PolarHBondContact NE2-NE2 2.89Å |
| 673 | R | 83 | Confident | 81.1 | Confident | 159 Ų | 159 | 68.2 Ų | 68.2 | 60% | 0.6 | 33% | 0.327 | S | S | * | . | H | α-helix | trans | -56.8 | -31.1 | 174.8 | -78.9 | -179.9 | 62.1 | -152 | -4.4 | 113 | L669 Q670 T675 H676 | L669-R673 HydrophobicContact CD1-CG 4.16Å; L669-R673 WeakPolarHBondContact O-CG 3.45Å; L669-R673 PolarHBondContact O-N 2.84Å; Q670-R673 PolarHBondContact O-N 3.29Å; R673-T675 PolarHBondContact O-N 3.38Å; R673-H676 PolarHBondContact O-N 3.47Å |
| 674 | R | 82.7 | Confident | 81.4 | Confident | 33 Ų | 33 | 67.2 Ų | 67.2 | 13% | 0.125 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -66.2 | -19.6 | 175 | -58.6 | 174.5 | -172.4 | -174.1 | 0.5 | 112.5 | Q670 R671 H672 G678 E679 M692 D719 | Q670-R674 PolarHBondContact O-N 3.4Å; R671-R674 WeakPolarHBondContact O-CB 3.37Å; R671-R674 PolarHBondContact O-N 3.47Å; H672-R674 PolarHBondContact O-N 3.41Å; H672-R674 VanDerWaalsContact O-N 3.14Å; R674-G678 PolarHBondContact O-N 2.81Å; R674-G678 VanDerWaalsContact O-N 3.13Å; R674-E679 PolarHBondContact O-N 3.1Å; R674-M692 VanDerWaalsContact C-SD 3.53Å; R674-M692 HydrophobicContact CB-CG 4Å; R674-M692 HydrophobicContact CB-SD 4.19Å; R674-M692 WeakPolarHBondContact O-CE 3.44Å; R674-M692 VanDerWaalsContact O-SD 3.4Å; R674-D719 IonicContact CZ-OD1 2.88Å; R674-D719 IonicContact NH1-OD1 2.74Å; R674-D719 IonicContact NH2-OD1 3.81Å; R674-D719 PolarHBondContact NH2-OD1 2.91Å |
| 675 | T | 80.6 | Confident | 81.8 | Confident | 75 Ų | 75 | 69.7 Ų | 69.7 | 46% | 0.46 | 34% | 0.34 | S | S | . | . | H | α-helix | trans | -71.4 | -34.2 | 174.4 | 72.6 | 0 | 0 | 0 | 0 | 112.4 | H672 R673 M692 | H672-T675 WeakPolarHBondContact O-CB 3.42Å; H672-T675 PolarHBondContact O-N 3.5Å; H672-T675 PolarHBondContact O-OG1 3.26Å; R673-T675 PolarHBondContact O-N 3.38Å; T675-M692 HydrophobicContact CG2-SD 3.75Å |
| 676 | H | 79.5 | Confident | 81.9 | Confident | 48 Ų | 48 | 68 Ų | 68 | 22% | 0.222 | 34% | 0.337 | C | S | . | . | H | α-helix | trans | -75.3 | -33 | 177.8 | -61.9 | -60.4 | 0 | 0 | 0 | 112.9 | W656 C659 H672 R673 | W656-H676 HydrophobicContact CD2-CB 4.14Å; W656-H676 HydrophobicContact CE3-CB 3.69Å; W656-H676 HydrophobicContact CH2-CB 4.42Å; W656-H676 HydrophobicContact CZ3-CB 3.85Å; C659-H676 PolarHBondContact SG-CE1 3.41Å; C659-H676 PolarHBondContact SG-NE2 3.46Å; C659-H676 VanDerWaalsContact SG-NE2 3.35Å; H672-H676 AromaticContact CE1-CE1 3.94Å; H672-H676 AromaticContact CE1-NE2 3.26Å; H672-H676 PolarHBondContact CE1-NE2 3.39Å; H672-H676 VanDerWaalsContact CE1-NE2 3.26Å; H672-H676 AromaticContact NE2-CD2 3.82Å; H672-H676 AromaticContact NE2-NE2 3.03Å; H672-H676 PolarHBondContact NE2-NE2 2.89Å; R673-H676 PolarHBondContact O-N 3.47Å |
| 677 | T | 78.4 | Confident | 82.3 | Confident | 77 Ų | 77 | 67.3 Ų | 67.3 | 47% | 0.472 | 33% | 0.331 | S | S | . | . | H | α-helix | trans | -84.7 | -10.1 | 175.8 | 61.2 | 0 | 0 | 0 | 0 | 113.4 | E679 | T677-E679 WeakPolarHBondContact CB-OE1 3.38Å; T677-E679 PolarHBondContact O-N 3.1Å; T677-E679 WeakPolarHBondContact OG1-CG 3.19Å; T677-E679 PolarHBondContact OG1-OE1 3.35Å |
| 678 | G | 77.4 | Confident | 82.4 | Confident | 39 Ų | 39 | 68.4 Ų | 68.4 | 40% | 0.402 | 34% | 0.343 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 66.8 | 10.9 | -179 | 0 | 0 | 0 | 0 | 0 | 114.7 | R674 K680 | R674-G678 PolarHBondContact O-N 2.81Å; R674-G678 VanDerWaalsContact O-N 3.13Å; G678-K680 PolarHBondContact O-N 3.13Å |
| 679 | E | 75.2 | Confident | 82.5 | Confident | 69 Ų | 69 | 72 Ų | 72 | 32% | 0.322 | 36% | 0.358 | S | S | . | . | | | trans | -66.1 | 98.5 | -169.5 | -81.7 | 174.5 | -117.3 | 0 | 0 | 113.7 | R674 T677 R681 | R674-E679 PolarHBondContact O-N 3.1Å; T677-E679 WeakPolarHBondContact CB-OE1 3.38Å; T677-E679 PolarHBondContact O-N 3.1Å; T677-E679 WeakPolarHBondContact OG1-CG 3.19Å; T677-E679 PolarHBondContact OG1-OE1 3.35Å; E679-R681 HydrophobicContact CB-CG 4.33Å; E679-R681 PolarHBondContact O-N 3.37Å; E679-R681 IonicContact OE2-CZ 3.63Å; E679-R681 IonicContact OE2-NE 3.84Å; E679-R681 PolarHBondContact OE2-NE 3.45Å; E679-R681 IonicContact OE2-NH2 2.77Å; E679-R681 PolarHBondContact OE2-NH2 2.86Å |
| 680 | K | 78.6 | Confident | 82.4 | Confident | 117 Ų | 117 | 77.2 Ų | 77.2 | 51% | 0.509 | 38% | 0.376 | S | S | . | . | | | trans | -88.1 | 82 | 172.7 | -65.4 | 169.8 | -178.5 | -178.9 | 0 | 110 | G678 R690 F691 | G678-K680 PolarHBondContact O-N 3.13Å; K680-R690 HydrophobicContact CB-CB 3.67Å; K680-R690 PolarHBondContact O-NE 3.48Å; K680-R690 PolarHBondContact O-NH2 3.37Å; K680-F691 CarbonylContact C-O 3.3Å; K680-F691 VanDerWaalsContact C-O 3.3Å; K680-F691 VanDerWaalsContact CA-O 3.27Å; K680-F691 WeakPolarHBondContact CA-O 3.39Å |
| 681 | R | 79.7 | Confident | 82.4 | Confident | 114 Ų | 114 | 74.4 Ų | 74.4 | 43% | 0.43 | 36% | 0.362 | S | S | . | . | | | trans | -75.8 | -23.6 | -177.3 | -63.8 | -171.9 | 177.7 | -153.5 | -3.3 | 114.7 | E679 F691 | E679-R681 HydrophobicContact CB-CG 4.33Å; E679-R681 PolarHBondContact O-N 3.37Å; E679-R681 IonicContact OE2-CZ 3.63Å; E679-R681 IonicContact OE2-NE 3.84Å; E679-R681 PolarHBondContact OE2-NE 3.45Å; E679-R681 IonicContact OE2-NH2 2.77Å; E679-R681 PolarHBondContact OE2-NH2 2.86Å; R681-F691 PolarHBondContact N-O 3.11Å |
| 682 | F | 82.3 | Confident | 82.4 | Confident | 24 Ų | 24 | 72 Ų | 72 | 11% | 0.105 | 36% | 0.356 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.8 | 105 | -170.4 | -61.6 | -80.5 | 0 | 0 | 0 | 111 | R690 F691 L697 T717 | F682-R690 CarbonylContact O-C 3.53Å; F682-R690 WeakPolarHBondContact O-CA 3.32Å; F682-F691 HydrophobicContact CB-CB 4.26Å; F682-F691 PolarHBondContact N-O 3Å; F682-F691 PolarHBondContact O-N 3.47Å; F682-L697 HydrophobicContact CB-CB 4.13Å; F682-L697 HydrophobicContact CB-CD2 3.75Å; F682-T717 HydrophobicContact CE1-CG2 3.89Å |
| 683 | E | 86.8 | Confident | 82.2 | Confident | 82 Ų | 82 | 75 Ų | 75 | 38% | 0.383 | 37% | 0.366 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -96 | 140.7 | -179.4 | -168 | 161.7 | 144.6 | 0 | 0 | 112.9 | S688 R690 L697 | E683-S688 WeakPolarHBondContact OE1-CA 3.41Å; E683-S688 WeakPolarHBondContact OE1-CB 3.48Å; E683-S688 PolarHBondContact OE1-OG 3.11Å; E683-R690 HydrophobicContact CB-CG 3.99Å; E683-R690 HydrophobicContact CG-CG 3.76Å; E683-R690 VanDerWaalsContact OE2-CD 3.3Å; E683-R690 WeakPolarHBondContact OE2-CD 3.34Å; E683-R690 WeakPolarHBondContact OE2-CG 3.09Å; E683-R690 IonicContact OE2-CZ 3.59Å; E683-R690 IonicContact OE2-NE 2.72Å; E683-R690 IonicContact OE2-NH1 3.75Å; E683-R690 PolarHBondContact OE2-NH1 3.15Å; E683-L697 WeakPolarHBondContact O-CD2 3.46Å |
| 684 | C | 88.6 | Confident | 82.3 | Confident | 0 Ų | 0 | 69.7 Ų | 69.7 | 0% | 0 | 35% | 0.353 | C | S | . | . | | | trans | -82.8 | 119 | 174.2 | -177.4 | 0 | 0 | 0 | 0 | 111.4 | E686 C687 S688 K689 F691 L697 H704 | C684-E686 PolarHBondContact O-N 2.99Å; C684-E686 VanDerWaalsContact O-N 3.15Å; C684-C687 PolarHBondContact O-N 2.9Å; C684-S688 VanDerWaalsContact O-CA 3.31Å; C684-S688 WeakPolarHBondContact O-CA 3.45Å; C684-S688 PolarHBondContact O-N 3.29Å; C684-K689 HydrophobicContact CB-CB 4.41Å; C684-K689 WeakPolarHBondContact CB-O 3.46Å; C684-K689 PolarHBondContact N-O 3.27Å; C684-F691 HydrophobicContact CB-CE2 4.33Å; C684-L697 HydrophobicContact CB-CD1 3.61Å; C684-H704 PolarHBondContact SG-NE2 3.2Å |
| 685 | P | 83.8 | Confident | 82.4 | Confident | 86 Ų | 86 | 71.1 Ų | 71.1 | 56% | 0.558 | 36% | 0.363 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.4 | -18.7 | -176.3 | 27.5 | -35.6 | 0 | 0 | 0 | 113.9 | V713 | P685-V713 HydrophobicContact CG-CG1 4.47Å; P685-V713 HydrophobicContact CG-CG2 4.35Å |
| 686 | E | 82.4 | Confident | 82.7 | Confident | 91 Ų | 91 | 71.2 Ų | 71.2 | 43% | 0.425 | 36% | 0.358 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -92 | -14.6 | -176.8 | -64.6 | -179 | -103.7 | 0 | 0 | 114.1 | C684 H704 | C684-E686 PolarHBondContact O-N 2.99Å; C684-E686 VanDerWaalsContact O-N 3.15Å; E686-H704 WeakPolarHBondContact OE1-CB 3.48Å; E686-H704 IonicContact OE1-CD2 3.6Å; E686-H704 IonicContact OE1-CG 3.88Å; E686-H704 VanDerWaalsContact OE2-CB 3.24Å; E686-H704 WeakPolarHBondContact OE2-CB 3.41Å; E686-H704 IonicContact OE2-CG 3.89Å |
| 687 | C | 86.4 | Confident | 83.2 | Confident | 55 Ų | 55 | 69.1 Ų | 69.1 | 37% | 0.372 | 35% | 0.348 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -156.1 | 13.2 | -177.9 | 67.3 | 0 | 0 | 0 | 0 | 115.8 | C684 K689 H700 H704 | C684-C687 PolarHBondContact O-N 2.9Å; C687-K689 PolarHBondContact O-N 2.96Å; C687-H700 PolarHBondContact SG-NE2 3.49Å; C687-H704 VanDerWaalsContact SG-CE1 3.59Å; C687-H704 PolarHBondContact SG-NE2 3.3Å; C687-H704 VanDerWaalsContact SG-NE2 3.42Å |
| 688 | S | 84.3 | Confident | 83.7 | Confident | 74 Ų | 74 | 68.2 Ų | 68.2 | 52% | 0.517 | 35% | 0.346 | S | S | . | . | | | trans | 50.7 | 18.3 | -178.6 | -74.9 | 0 | 0 | 0 | 0 | 116.5 | E683 C684 R690 | E683-S688 WeakPolarHBondContact OE1-CA 3.41Å; E683-S688 WeakPolarHBondContact OE1-CB 3.48Å; E683-S688 PolarHBondContact OE1-OG 3.11Å; C684-S688 VanDerWaalsContact O-CA 3.31Å; C684-S688 WeakPolarHBondContact O-CA 3.45Å; C684-S688 PolarHBondContact O-N 3.29Å; S688-R690 PolarHBondContact O-N 3.31Å |
| 689 | K | 83.5 | Confident | 84.2 | Confident | 125 Ų | 125 | 73.6 Ų | 73.6 | 54% | 0.543 | 36% | 0.358 | S | S | . | . | | | trans | -68 | 127 | 171 | -73.8 | -173.2 | 176.8 | -169.1 | 0 | 109.7 | C684 C687 F691 | C684-K689 HydrophobicContact CB-CB 4.41Å; C684-K689 WeakPolarHBondContact CB-O 3.46Å; C684-K689 PolarHBondContact N-O 3.27Å; C687-K689 PolarHBondContact O-N 2.96Å; K689-F691 HydrophobicContact CB-CE2 3.68Å; K689-F691 HydrophobicContact CB-CZ 3.94Å; K689-F691 WeakPolarHBondContact O-CD2 3.48Å; K689-F691 VanDerWaalsContact O-CE2 3.23Å; K689-F691 WeakPolarHBondContact O-CE2 3.34Å |
| 690 | R | 85.6 | Confident | 84.8 | Confident | 135 Ų | 135 | 71.4 Ų | 71.4 | 51% | 0.509 | 35% | 0.348 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.4 | 135.6 | -176.7 | -59.5 | 177.9 | 65 | 135.1 | -8.7 | 111.8 | K680 F682 E683 S688 | K680-R690 HydrophobicContact CB-CB 3.67Å; K680-R690 PolarHBondContact O-NE 3.48Å; K680-R690 PolarHBondContact O-NH2 3.37Å; F682-R690 CarbonylContact O-C 3.53Å; F682-R690 WeakPolarHBondContact O-CA 3.32Å; E683-R690 HydrophobicContact CB-CG 3.99Å; E683-R690 HydrophobicContact CG-CG 3.76Å; E683-R690 VanDerWaalsContact OE2-CD 3.3Å; E683-R690 WeakPolarHBondContact OE2-CD 3.34Å; E683-R690 WeakPolarHBondContact OE2-CG 3.09Å; E683-R690 IonicContact OE2-CZ 3.59Å; E683-R690 IonicContact OE2-NE 2.72Å; E683-R690 IonicContact OE2-NH1 3.75Å; E683-R690 PolarHBondContact OE2-NH1 3.15Å; S688-R690 PolarHBondContact O-N 3.31Å |
| 691 | F | 84.1 | Confident | 85.1 | Confident | 44 Ų | 44 | 66.3 Ų | 66.3 | 19% | 0.193 | 33% | 0.326 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.6 | 154.6 | -174.6 | -59.8 | -91.6 | 0 | 0 | 0 | 110.9 | K680 R681 F682 C684 K689 H696 L697 H700 | K680-F691 CarbonylContact C-O 3.3Å; K680-F691 VanDerWaalsContact C-O 3.3Å; K680-F691 VanDerWaalsContact CA-O 3.27Å; K680-F691 WeakPolarHBondContact CA-O 3.39Å; R681-F691 PolarHBondContact N-O 3.11Å; F682-F691 HydrophobicContact CB-CB 4.26Å; F682-F691 PolarHBondContact N-O 3Å; F682-F691 PolarHBondContact O-N 3.47Å; C684-F691 HydrophobicContact CB-CE2 4.33Å; K689-F691 HydrophobicContact CB-CE2 3.68Å; K689-F691 HydrophobicContact CB-CZ 3.94Å; K689-F691 WeakPolarHBondContact O-CD2 3.48Å; K689-F691 VanDerWaalsContact O-CE2 3.23Å; K689-F691 WeakPolarHBondContact O-CE2 3.34Å; F691-H696 HydrophobicContact CB-CB 4.4Å; F691-H696 HydrophobicContact CD1-CB 3.95Å; F691-H696 HydrophobicContact CG-CB 4.46Å; F691-L697 HydrophobicContact CB-CB 4.3Å; F691-L697 HydrophobicContact CD2-CB 4.03Å; F691-L697 HydrophobicContact CD2-CD1 3.81Å; F691-L697 HydrophobicContact CD2-CG 4.47Å; F691-L697 HydrophobicContact CE2-CD1 3.98Å; F691-L697 HydrophobicContact CG-CB 4.27Å; F691-H700 HydrophobicContact CE1-CB 4.07Å; F691-H700 HydrophobicContact CE2-CB 4.06Å; F691-H700 AromaticContact CE2-CD2 3.29Å; F691-H700 WeakPolarHBondContact CE2-CD2 3.08Å; F691-H700 AromaticContact CE2-CG 3.79Å; F691-H700 HydrophobicContact CZ-CB 3.6Å; F691-H700 AromaticContact CZ-CD2 3.28Å; F691-H700 WeakPolarHBondContact CZ-CD2 3.4Å; F691-H700 AromaticContact CZ-CG 3.33Å; F691-H700 AromaticContact CZ-NE2 3.96Å |
| 692 | M | 81.6 | Confident | 85.5 | Confident | 42 Ų | 42 | 67.1 Ų | 67.1 | 21% | 0.207 | 33% | 0.332 | C | S | . | . | S | Bend | trans | -86.9 | -17.4 | 180 | -170.1 | 173.9 | -73.1 | 0 | 0 | 113.3 | R674 T675 | R674-M692 VanDerWaalsContact C-SD 3.53Å; R674-M692 HydrophobicContact CB-CG 4Å; R674-M692 HydrophobicContact CB-SD 4.19Å; R674-M692 WeakPolarHBondContact O-CE 3.44Å; R674-M692 VanDerWaalsContact O-SD 3.4Å; T675-M692 HydrophobicContact CG2-SD 3.75Å |
| 693 | R | 82.6 | Confident | 85.5 | Confident | 86 Ų | 86 | 68.8 Ų | 68.8 | 33% | 0.325 | 35% | 0.345 | S | S | . | . | S | Bend | trans | -135 | 147.2 | -179 | -63.4 | 157.6 | 46.9 | 169.1 | -3 | 110.8 | R671 D695 H696 L697 | R671-R693 HydrophobicContact CG-CG 4.12Å; R693-D695 WeakPolarHBondContact CB-OD1 3.42Å; R693-D695 IonicContact CZ-OD1 3.21Å; R693-D695 IonicContact CZ-OD2 2.69Å; R693-D695 IonicContact NE-OD1 2.78Å; R693-D695 PolarHBondContact NE-OD1 3.42Å; R693-D695 IonicContact NE-OD2 3.74Å; R693-D695 VanDerWaalsContact NH2-CG 3.34Å; R693-D695 IonicContact NH2-OD1 3.28Å; R693-D695 PolarHBondContact NH2-OD1 3.24Å; R693-D695 IonicContact NH2-OD2 2.78Å; R693-D695 PolarHBondContact NH2-OD2 2.98Å; R693-H696 WeakPolarHBondContact CD-NE2 3.42Å; R693-H696 PolarHBondContact NE-NE2 3.49Å; R693-H696 PolarHBondContact NH1-NE2 2.92Å; R693-H696 PolarHBondContact O-N 3.03Å; R693-L697 PolarHBondContact O-N 2.61Å |
| 694 | S | 84.8 | Confident | 85.2 | Confident | 48 Ų | 48 | 66.1 Ų | 66.1 | 34% | 0.336 | 33% | 0.332 | S | S | . | . | H | α-helix | trans | -64.5 | -37.6 | 177.2 | 48.4 | 0 | 0 | 0 | 0 | 112.7 | H696 L697 S698 | S694-H696 PolarHBondContact O-N 3.26Å; S694-L697 PolarHBondContact O-N 2.98Å; S694-S698 PolarHBondContact O-N 3.42Å; S694-S698 PolarHBondContact O-OG 3.03Å |
| 695 | D | 85.1 | Confident | 84.2 | Confident | 62 Ų | 62 | 69.4 Ų | 69.4 | 33% | 0.332 | 35% | 0.347 | S | S | . | . | H | α-helix | trans | -66.8 | -36.2 | 180 | 72.1 | -58.9 | 0 | 0 | 0 | 112.9 | R693 S698 K699 | R693-D695 WeakPolarHBondContact CB-OD1 3.42Å; R693-D695 IonicContact CZ-OD1 3.21Å; R693-D695 IonicContact CZ-OD2 2.69Å; R693-D695 IonicContact NE-OD1 2.78Å; R693-D695 PolarHBondContact NE-OD1 3.42Å; R693-D695 IonicContact NE-OD2 3.74Å; R693-D695 VanDerWaalsContact NH2-CG 3.34Å; R693-D695 IonicContact NH2-OD1 3.28Å; R693-D695 PolarHBondContact NH2-OD1 3.24Å; R693-D695 IonicContact NH2-OD2 2.78Å; R693-D695 PolarHBondContact NH2-OD2 2.98Å; D695-S698 PolarHBondContact O-N 3.47Å; D695-K699 WeakPolarHBondContact O-CB 3.49Å; D695-K699 WeakPolarHBondContact O-CG 3.38Å; D695-K699 PolarHBondContact O-N 2.75Å |
| 696 | H | 86.9 | Confident | 83.2 | Confident | 78 Ų | 78 | 72 Ų | 72 | 36% | 0.361 | 36% | 0.357 | S | S | . | . | H | α-helix | trans | -64.9 | -40.5 | 171 | -65.1 | -40.1 | 0 | 0 | 0 | 111.8 | F691 R693 S694 H700 | F691-H696 HydrophobicContact CB-CB 4.4Å; F691-H696 HydrophobicContact CD1-CB 3.95Å; F691-H696 HydrophobicContact CG-CB 4.46Å; R693-H696 WeakPolarHBondContact CD-NE2 3.42Å; R693-H696 PolarHBondContact NE-NE2 3.49Å; R693-H696 PolarHBondContact NH1-NE2 2.92Å; R693-H696 PolarHBondContact O-N 3.03Å; S694-H696 PolarHBondContact O-N 3.26Å; H696-H700 VanDerWaalsContact O-CB 3.29Å; H696-H700 WeakPolarHBondContact O-CB 3.46Å; H696-H700 PolarHBondContact O-N 2.74Å |
| 697 | L | 90.2 | Very high | 82.1 | Confident | 3 Ų | 3 | 75.6 Ų | 75.6 | 2% | 0.016 | 37% | 0.371 | C | S | . | . | H | α-helix | trans | -65 | -42.2 | 173.5 | 175.5 | 58 | 0 | 0 | 0 | 111.6 | F682 E683 C684 F691 R693 S694 H700 I701 I715 | F682-L697 HydrophobicContact CB-CB 4.13Å; F682-L697 HydrophobicContact CB-CD2 3.75Å; E683-L697 WeakPolarHBondContact O-CD2 3.46Å; C684-L697 HydrophobicContact CB-CD1 3.61Å; F691-L697 HydrophobicContact CB-CB 4.3Å; F691-L697 HydrophobicContact CD2-CB 4.03Å; F691-L697 HydrophobicContact CD2-CD1 3.81Å; F691-L697 HydrophobicContact CD2-CG 4.47Å; F691-L697 HydrophobicContact CE2-CD1 3.98Å; F691-L697 HydrophobicContact CG-CB 4.27Å; R693-L697 PolarHBondContact O-N 2.61Å; S694-L697 PolarHBondContact O-N 2.98Å; L697-H700 CarbonylContact O-C 3.55Å; L697-H700 WeakPolarHBondContact O-CA 3.39Å; L697-H700 WeakPolarHBondContact O-CB 3.5Å; L697-H700 PolarHBondContact O-N 3.18Å; L697-H700 VanDerWaalsContact O-N 3.09Å; L697-I701 HydrophobicContact CD1-CD1 3.82Å; L697-I701 HydrophobicContact CD1-CG1 3.85Å; L697-I701 HydrophobicContact CD2-CD1 4.44Å; L697-I701 HydrophobicContact CG-CD1 3.83Å; L697-I701 HydrophobicContact CG-CG1 4.32Å; L697-I701 WeakPolarHBondContact O-CG1 3.44Å; L697-I701 PolarHBondContact O-N 3.47Å; L697-I715 HydrophobicContact CD2-CD1 3.49Å; L697-I715 VanDerWaalsContact CD2-CD1 3.49Å; L697-I715 HydrophobicContact CG-CD1 4Å |
| 698 | S | 87.9 | Confident | 80.3 | Confident | 59 Ų | 59 | 81.3 Ų | 81.3 | 41% | 0.413 | 39% | 0.389 | S | S | . | . | H | α-helix | trans | -64.6 | -40.6 | 176.7 | -64 | 0 | 0 | 0 | 0 | 112.7 | S694 D695 H700 K702 | S694-S698 PolarHBondContact O-N 3.42Å; S694-S698 PolarHBondContact O-OG 3.03Å; D695-S698 PolarHBondContact O-N 3.47Å; S698-H700 VanDerWaalsContact C-N 3.3Å; S698-K702 WeakPolarHBondContact O-CG 3.48Å; S698-K702 PolarHBondContact O-N 3.36Å |
| 699 | K | 87.3 | Confident | 78.7 | Confident | 151 Ų | 151 | 81.4 Ų | 81.4 | 66% | 0.657 | 40% | 0.403 | S | S | * | . | H | α-helix | trans | -60.5 | -41.5 | 169.3 | -76.6 | -171.2 | 177.4 | -167.1 | 0 | 110.7 | D695 | D695-K699 WeakPolarHBondContact O-CB 3.49Å; D695-K699 WeakPolarHBondContact O-CG 3.38Å; D695-K699 PolarHBondContact O-N 2.75Å |
| 700 | H | 87.9 | Confident | 77 | Confident | 24 Ų | 24 | 79.5 Ų | 79.5 | 11% | 0.111 | 42% | 0.418 | C | S | . | . | H | α-helix | trans | -69.3 | -41.8 | -179.6 | 177 | 53 | 0 | 0 | 0 | 114 | C687 F691 H696 L697 S698 K702 T703 H704 | C687-H700 PolarHBondContact SG-NE2 3.49Å; F691-H700 HydrophobicContact CE1-CB 4.07Å; F691-H700 HydrophobicContact CE2-CB 4.06Å; F691-H700 AromaticContact CE2-CD2 3.29Å; F691-H700 WeakPolarHBondContact CE2-CD2 3.08Å; F691-H700 AromaticContact CE2-CG 3.79Å; F691-H700 HydrophobicContact CZ-CB 3.6Å; F691-H700 AromaticContact CZ-CD2 3.28Å; F691-H700 WeakPolarHBondContact CZ-CD2 3.4Å; F691-H700 AromaticContact CZ-CG 3.33Å; F691-H700 AromaticContact CZ-NE2 3.96Å; H696-H700 VanDerWaalsContact O-CB 3.29Å; H696-H700 WeakPolarHBondContact O-CB 3.46Å; H696-H700 PolarHBondContact O-N 2.74Å; L697-H700 CarbonylContact O-C 3.55Å; L697-H700 WeakPolarHBondContact O-CA 3.39Å; L697-H700 WeakPolarHBondContact O-CB 3.5Å; L697-H700 PolarHBondContact O-N 3.18Å; L697-H700 VanDerWaalsContact O-N 3.09Å; S698-H700 VanDerWaalsContact C-N 3.3Å; H700-K702 PolarHBondContact O-N 3.39Å; H700-T703 PolarHBondContact ND1-OG1 3.48Å; H700-T703 WeakPolarHBondContact O-CA 3.34Å; H700-T703 WeakPolarHBondContact O-CB 3.39Å; H700-T703 PolarHBondContact O-N 3.1Å; H700-T703 PolarHBondContact O-OG1 3.37Å; H700-H704 AromaticContact CD2-NE2 3.78Å; H700-H704 AromaticContact CE1-CE1 3.45Å; H700-H704 PolarHBondContact CE1-CE1 3.39Å; H700-H704 VanDerWaalsContact CE1-CE1 3.45Å; H700-H704 AromaticContact CE1-NE2 3.26Å; H700-H704 PolarHBondContact CE1-NE2 3.47Å; H700-H704 VanDerWaalsContact CE1-NE2 3.26Å; H700-H704 AromaticContact NE2-CE1 3.62Å; H700-H704 AromaticContact NE2-NE2 3.03Å; H700-H704 PolarHBondContact NE2-NE2 3.43Å |
| 701 | I | 86 | Confident | 74.8 | Confident | 9 Ų | 9 | 75.4 Ų | 75.4 | 5% | 0.046 | 41% | 0.413 | C | S | . | . | H | α-helix | trans | -60 | -36.7 | 177.6 | -71.2 | 167.6 | 0 | 0 | 0 | 110.9 | L697 T703 H704 Q705 I715 | L697-I701 HydrophobicContact CD1-CD1 3.82Å; L697-I701 HydrophobicContact CD1-CG1 3.85Å; L697-I701 HydrophobicContact CD2-CD1 4.44Å; L697-I701 HydrophobicContact CG-CD1 3.83Å; L697-I701 HydrophobicContact CG-CG1 4.32Å; L697-I701 WeakPolarHBondContact O-CG1 3.44Å; L697-I701 PolarHBondContact O-N 3.47Å; I701-T703 PolarHBondContact O-N 2.89Å; I701-H704 PolarHBondContact O-N 3.49Å; I701-Q705 HydrophobicContact CG2-CG 4.47Å; I701-Q705 PolarHBondContact O-N 3.35Å; I701-Q705 VanDerWaalsContact O-N 3.11Å; I701-I715 HydrophobicContact CD1-CD1 4.04Å |
| 702 | K | 86.8 | Confident | 72.8 | Confident | 131 Ų | 131 | 78 Ų | 78 | 57% | 0.57 | 44% | 0.443 | S | S | * | . | H | α-helix | trans | -57.8 | -29 | 172.1 | -68.1 | 177.1 | 177.4 | -170.1 | 0 | 113.1 | S698 H700 H704 Q705 N706 | S698-K702 WeakPolarHBondContact O-CG 3.48Å; S698-K702 PolarHBondContact O-N 3.36Å; H700-K702 PolarHBondContact O-N 3.39Å; K702-H704 PolarHBondContact O-N 3.29Å; K702-Q705 PolarHBondContact O-N 2.75Å; K702-N706 VanDerWaalsContact O-CG 3.29Å; K702-N706 PolarHBondContact O-N 3.19Å; K702-N706 PolarHBondContact O-OD1 3.15Å |
| 703 | T | 82.9 | Confident | 71.1 | Confident | 59 Ų | 59 | 79 Ų | 79 | 36% | 0.362 | 45% | 0.451 | S | S | . | . | H | α-helix | trans | -71.4 | -13.5 | 175.7 | 75.9 | 0 | 0 | 0 | 0 | 114.2 | H700 I701 K707 | H700-T703 PolarHBondContact ND1-OG1 3.48Å; H700-T703 WeakPolarHBondContact O-CA 3.34Å; H700-T703 WeakPolarHBondContact O-CB 3.39Å; H700-T703 PolarHBondContact O-N 3.1Å; H700-T703 PolarHBondContact O-OG1 3.37Å; I701-T703 PolarHBondContact O-N 2.89Å; T703-K707 WeakPolarHBondContact O-CD 3.43Å; T703-K707 WeakPolarHBondContact O-CE 3.36Å |
| 704 | H | 80.6 | Confident | 69 | Low | 27 Ų | 27 | 78.6 Ų | 78.6 | 13% | 0.125 | 47% | 0.466 | C | S | . | . | H | α-helix | trans | -96.8 | -35.8 | 170.3 | -51.9 | -52.9 | 0 | 0 | 0 | 112.1 | C684 E686 C687 H700 I701 K702 N706 K707 K708 | C684-H704 PolarHBondContact SG-NE2 3.2Å; E686-H704 WeakPolarHBondContact OE1-CB 3.48Å; E686-H704 IonicContact OE1-CD2 3.6Å; E686-H704 IonicContact OE1-CG 3.88Å; E686-H704 VanDerWaalsContact OE2-CB 3.24Å; E686-H704 WeakPolarHBondContact OE2-CB 3.41Å; E686-H704 IonicContact OE2-CG 3.89Å; C687-H704 VanDerWaalsContact SG-CE1 3.59Å; C687-H704 PolarHBondContact SG-NE2 3.3Å; C687-H704 VanDerWaalsContact SG-NE2 3.42Å; H700-H704 AromaticContact CD2-NE2 3.78Å; H700-H704 AromaticContact CE1-CE1 3.45Å; H700-H704 PolarHBondContact CE1-CE1 3.39Å; H700-H704 VanDerWaalsContact CE1-CE1 3.45Å; H700-H704 AromaticContact CE1-NE2 3.26Å; H700-H704 PolarHBondContact CE1-NE2 3.47Å; H700-H704 VanDerWaalsContact CE1-NE2 3.26Å; H700-H704 AromaticContact NE2-CE1 3.62Å; H700-H704 AromaticContact NE2-NE2 3.03Å; H700-H704 PolarHBondContact NE2-NE2 3.43Å; I701-H704 PolarHBondContact O-N 3.49Å; K702-H704 PolarHBondContact O-N 3.29Å; H704-N706 PolarHBondContact O-N 3.19Å; H704-K707 CarbonylContact O-C 3.56Å; H704-K707 WeakPolarHBondContact O-CA 3.3Å; H704-K707 WeakPolarHBondContact O-CB 3.41Å; H704-K707 PolarHBondContact O-N 3.14Å; H704-K708 PolarHBondContact O-N 3.27Å |
| 705 | Q | 66.7 | Low | 67.3 | Low | 68 Ų | 68 | 79.7 Ų | 79.7 | 32% | 0.318 | 47% | 0.467 | S | S | . | . | H | α-helix | trans | -57.6 | -34.1 | 170.9 | -66.6 | 174.4 | -19.9 | 0 | 0 | 111.8 | I701 K702 K707 K708 A711 | I701-Q705 HydrophobicContact CG2-CG 4.47Å; I701-Q705 PolarHBondContact O-N 3.35Å; I701-Q705 VanDerWaalsContact O-N 3.11Å; K702-Q705 PolarHBondContact O-N 2.75Å; Q705-K707 PolarHBondContact O-N 3.14Å; Q705-K708 WeakPolarHBondContact CA-O 3.34Å; Q705-K708 CarbonylContact O-C 3.51Å; Q705-K708 VanDerWaalsContact O-O 3.13Å; Q705-A711 PolarHBondContact NE2-O 3.24Å |
| 706 | N | 63.3 | Low | 65.1 | Low | 142 Ų | 142 | 84.2 Ų | 84.2 | 76% | 0.759 | 49% | 0.49 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -72.8 | 0.7 | 171.4 | -68.3 | -0.6 | 0 | 0 | 0 | 114.4 | K702 H704 | K702-N706 VanDerWaalsContact O-CG 3.29Å; K702-N706 PolarHBondContact O-N 3.19Å; K702-N706 PolarHBondContact O-OD1 3.15Å; H704-N706 PolarHBondContact O-N 3.19Å |
| 707 | K | 59 | Low | 62.9 | Low | 165 Ų | 165 | 83.6 Ų | 83.6 | 72% | 0.717 | 49% | 0.492 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -121.7 | -28.9 | -180 | -67.9 | 174.9 | -177.5 | 165.4 | 0 | 113.3 | T703 H704 Q705 | T703-K707 WeakPolarHBondContact O-CD 3.43Å; T703-K707 WeakPolarHBondContact O-CE 3.36Å; H704-K707 CarbonylContact O-C 3.56Å; H704-K707 WeakPolarHBondContact O-CA 3.3Å; H704-K707 WeakPolarHBondContact O-CB 3.41Å; H704-K707 PolarHBondContact O-N 3.14Å; Q705-K707 PolarHBondContact O-N 3.14Å |
| 708 | K | 48.7 | Very low | 60.6 | Low | 175 Ų | 175 | 89.6 Ų | 89.6 | 76% | 0.761 | 53% | 0.529 | S | S | * | . | S | Bend | trans | -143.1 | 127.7 | 165.9 | -68.7 | -174.2 | 179.7 | 176.9 | 0 | 108.7 | H704 Q705 | H704-K708 PolarHBondContact O-N 3.27Å; Q705-K708 WeakPolarHBondContact CA-O 3.34Å; Q705-K708 CarbonylContact O-C 3.51Å; Q705-K708 VanDerWaalsContact O-O 3.13Å |
| 709 | G | 50.4 | Low | 58.1 | Low | 77 Ų | 77 | 91.2 Ų | 91.2 | 79% | 0.794 | 53% | 0.533 | S | S | * | . | | | trans | -69.4 | 148.4 | -175.5 | 0 | 0 | 0 | 0 | 0 | 113.5 | | |
| 710 | G | 49.2 | Very low | 55.6 | Low | 84 Ų | 84 | 91.6 Ų | 91.6 | 87% | 0.866 | 54% | 0.542 | S | S | * | . | | | trans | 85.3 | 44.2 | 152.5 | 0 | 0 | 0 | 0 | 0 | 118.4 | | |
| 711 | A | 38 | Very low | 53 | Low | 49 Ų | 49 | 98.3 Ų | 98.3 | 41% | 0.405 | 58% | 0.576 | S | S | . | * | | | trans | -128.6 | 105.6 | 164 | 0 | 0 | 0 | 0 | 0 | 111.7 | Q705 V713 | Q705-A711 PolarHBondContact NE2-O 3.24Å; A711-V713 PolarHBondContact O-N 2.92Å |
| 712 | A | 42.1 | Very low | 51.1 | Low | 99 Ų | 99 | 107.1 Ų | 107.1 | 82% | 0.818 | 62% | 0.617 | S | S | * | * | | | trans | -96.2 | 85.5 | 178.2 | 0 | 0 | 0 | 0 | 0 | 110.9 | A714 | A712-A714 PolarHBondContact O-N 3.46Š|
| 713 | V | 47.3 | Very low | 48.6 | Very low | 62 Ų | 62 | 108.9 Ų | 108.9 | 38% | 0.376 | 63% | 0.627 | S | S | . | * | | | trans | -77.3 | 108.2 | 176.2 | -176.6 | 0 | 0 | 0 | 0 | 109.9 | P685 A711 I715 | P685-V713 HydrophobicContact CG-CG1 4.47Å; P685-V713 HydrophobicContact CG-CG2 4.35Å; A711-V713 PolarHBondContact O-N 2.92Å; V713-I715 HydrophobicContact CG1-CG1 4.5Å |
| 714 | A | 38.2 | Very low | 46.1 | Very low | 79 Ų | 79 | 113.1 Ų | 113.1 | 65% | 0.653 | 65% | 0.647 | S | S | * | * | | | trans | -79 | 124.3 | 171.9 | 0 | 0 | 0 | 0 | 0 | 110.4 | A712 | A712-A714 PolarHBondContact O-N 3.46Š|
| 715 | I | 48.2 | Very low | 43.9 | Very low | 70 Ų | 70 | 117.5 Ų | 117.5 | 36% | 0.359 | 68% | 0.678 | S | S | . | * | | | trans | -104.2 | 110.1 | 177.1 | -54.3 | 178.7 | 0 | 0 | 0 | 108.1 | L697 I701 V713 T717 | L697-I715 HydrophobicContact CD2-CD1 3.49Å; L697-I715 VanDerWaalsContact CD2-CD1 3.49Å; L697-I715 HydrophobicContact CG-CD1 4Å; I701-I715 HydrophobicContact CD1-CD1 4.04Å; V713-I715 HydrophobicContact CG1-CG1 4.5Å; I715-T717 HydrophobicContact CG2-CG2 4.22Å |
| 716 | I | 39.7 | Very low | 42.4 | Very low | 157 Ų | 157 | 120 Ų | 120 | 81% | 0.805 | 70% | 0.7 | S | S | * | * | | | trans | -87.8 | 119.3 | 175.1 | -57.9 | 174.5 | 0 | 0 | 0 | 108.1 | | |
| 717 | T | 41.1 | Very low | 41.1 | Very low | 66 Ų | 66 | 123.1 Ų | 123.1 | 41% | 0.405 | 71% | 0.71 | S | S | . | * | | | trans | -111.1 | 116 | 176.3 | 52 | 0 | 0 | 0 | 0 | 110.7 | F682 I715 D719 | F682-T717 HydrophobicContact CE1-CG2 3.89Å; I715-T717 HydrophobicContact CG2-CG2 4.22Å; T717-D719 PolarHBondContact O-N 3.25Å; T717-D719 VanDerWaalsContact O-N 3.13Å |
| 718 | T | 41.8 | Very low | 39.9 | Very low | 129 Ų | 129 | 118.4 Ų | 118.4 | 79% | 0.791 | 71% | 0.709 | S | S | * | * | | | trans | -85.9 | 54.5 | 173.5 | 55.9 | 0 | 0 | 0 | 0 | 111.2 | | |
| 719 | D | 35.7 | Very low | 39 | Very low | 93 Ų | 93 | 118.9 Ų | 118.9 | 50% | 0.497 | 72% | 0.719 | S | S | . | * | | | trans | -101.8 | 6.4 | 175.7 | -84 | -110.7 | 0 | 0 | 0 | 111.9 | R674 T717 | R674-D719 IonicContact CZ-OD1 2.88Å; R674-D719 IonicContact NH1-OD1 2.74Å; R674-D719 IonicContact NH2-OD1 3.81Å; R674-D719 PolarHBondContact NH2-OD1 2.91Å; T717-D719 PolarHBondContact O-N 3.25Å; T717-D719 VanDerWaalsContact O-N 3.13Å |
| 720 | D | 33.8 | Very low | 38.2 | Very low | 159 Ų | 159 | 120.1 Ų | 120.1 | 85% | 0.85 | 72% | 0.721 | S | S | * | * | | | trans | -112.8 | 74.8 | -177.1 | -128.5 | -69.7 | 0 | 0 | 0 | 111.1 | | |
| 721 | M | 33.5 | Very low | 37.2 | Very low | 164 Ų | 164 | 125.1 Ų | 125.1 | 81% | 0.808 | 72% | 0.722 | S | S | * | * | | | trans | -138.6 | 114.2 | 168.8 | -64.1 | -171.4 | 78.2 | 0 | 0 | 109.7 | E723 | M721-E723 PolarHBondContact O-N 3.44Š|
| 722 | E | 46.2 | Very low | 36.8 | Very low | 195 Ų | 195 | 127.7 Ų | 127.7 | 91% | 0.911 | 74% | 0.737 | S | S | * | * | | | trans | -84.3 | 97.8 | 166.6 | -70.6 | -176.6 | 102.5 | 0 | 0 | 108.7 | | |
| 723 | E | 33.4 | Very low | 36.3 | Very low | 167 Ų | 167 | 128 Ų | 128 | 78% | 0.78 | 73% | 0.731 | S | S | * | * | | | trans | -140.7 | 145 | 170.4 | -78.2 | -66 | 153.8 | 0 | 0 | 109.9 | M721 | M721-E723 PolarHBondContact O-N 3.44Š|
| 724 | D | 31.7 | Very low | 35.4 | Very low | 149 Ų | 149 | 133.4 Ų | 133.4 | 80% | 0.797 | 75% | 0.752 | S | S | * | * | P | Polyproline II helix | trans | -77.8 | 142.8 | 177.8 | -88.6 | -69 | 0 | 0 | 0 | 111.7 | P726 | D724-P726 WeakPolarHBondContact O-CD 3.32Š|
| 725 | P | 34.4 | Very low | 35.1 | Very low | 118 Ų | 118 | 137.3 Ų | 137.3 | 77% | 0.766 | 76% | 0.76 | S | S | * | * | P | Polyproline II helix | trans | -84.7 | 122 | -177.2 | 32 | -33.2 | 0 | 0 | 0 | 112.9 | | |
| 726 | P | 35.3 | Very low | 34.2 | Very low | 121 Ų | 121 | 140.2 Ų | 140.2 | 79% | 0.786 | 78% | 0.781 | S | S | * | * | P | Polyproline II helix | trans | -74.2 | 154.1 | 157.7 | 32.4 | -33.3 | 0 | 0 | 0 | 110.6 | D724 | D724-P726 WeakPolarHBondContact O-CD 3.32Š|
| 727 | E | 36.3 | Very low | 33.7 | Very low | 207 Ų | 207 | 137.4 Ų | 137.4 | 97% | 0.967 | 78% | 0.781 | S | S | * | * | P | Polyproline II helix | trans | -73.9 | 132.7 | 174.9 | -61.4 | -174.8 | 117.9 | 0 | 0 | 111.6 | | |
| 728 | G | 32.2 | Very low | 33.4 | Very low | 67 Ų | 67 | 139.8 Ų | 139.8 | 69% | 0.691 | 80% | 0.795 | S | S | * | * | | | trans | 148.7 | 117.6 | 161.3 | 0 | 0 | 0 | 0 | 0 | 116.4 | | |
| 729 | L | 30.2 | Very low | 32.8 | Very low | 185 Ų | 185 | 136.9 Ų | 136.9 | 97% | 0.969 | 79% | 0.791 | S | S | * | * | | | trans | 67 | 152.1 | 164.8 | -51.7 | 178.7 | 0 | 0 | 0 | 116.5 | | |
| 730 | A | 34 | Very low | 32.5 | Very low | 102 Ų | 102 | 138.7 Ų | 138.7 | 84% | 0.843 | 81% | 0.806 | S | S | * | * | | | trans | -116.6 | 116.5 | -173.7 | 0 | 0 | 0 | 0 | 0 | 110.8 | | |
| 731 | E | 27.8 | Very low | 32.2 | Very low | 189 Ų | 189 | 139.4 Ų | 139.4 | 88% | 0.883 | 81% | 0.808 | S | S | * | * | | | trans | -121.8 | 144.8 | 164.7 | -67.2 | -158.1 | 102.8 | 0 | 0 | 110.2 | | |
| 732 | S | 29 | Very low | 31.9 | Very low | 103 Ų | 103 | 137.8 Ų | 137.8 | 72% | 0.72 | 81% | 0.808 | S | S | * | * | | | trans | -86.1 | 135.9 | 177.4 | -66.9 | 0 | 0 | 0 | 0 | 110.2 | Q734 | S732-Q734 PolarHBondContact O-N 3.2Å; S732-Q734 VanDerWaalsContact O-N 3.1Å |
| 733 | P | 31.6 | Very low | 31.2 | Very low | 106 Ų | 106 | 140.1 Ų | 140.1 | 69% | 0.688 | 81% | 0.808 | S | S | * | * | | | trans | -64.2 | 115 | 180 | 26.1 | -33.9 | 0 | 0 | 0 | 110.4 | | |
| 734 | Q | 28.7 | Very low | 30.9 | Very low | 175 Ų | 175 | 139 Ų | 139 | 82% | 0.818 | 81% | 0.807 | S | S | * | * | | | trans | -79.1 | 149.2 | -178.3 | -62 | -158.4 | 18.9 | 0 | 0 | 112.3 | S732 V736 | S732-Q734 PolarHBondContact O-N 3.2Å; S732-Q734 VanDerWaalsContact O-N 3.1Å; Q734-V736 PolarHBondContact O-N 3.46Å |
| 735 | I | 31.9 | Very low | 30.9 | Very low | 161 Ų | 161 | 137.5 Ų | 137.5 | 83% | 0.826 | 81% | 0.809 | S | S | * | * | | | trans | -85.1 | 111.5 | 178.7 | -57.9 | 173 | 0 | 0 | 0 | 108.6 | | |
| 736 | V | 30 | Very low | 30.6 | Very low | 131 Ų | 131 | 140.8 Ų | 140.8 | 79% | 0.794 | 81% | 0.814 | S | S | * | * | P | Polyproline II helix | trans | -83.6 | 140.7 | 174.6 | -176.6 | 0 | 0 | 0 | 0 | 110.1 | Q734 | Q734-V736 PolarHBondContact O-N 3.46Š|
| 737 | A | 29.5 | Very low | 31.3 | Very low | 98 Ų | 98 | 140.5 Ų | 140.5 | 81% | 0.81 | 81% | 0.812 | S | S | * | * | P | Polyproline II helix | trans | -70.2 | 151.3 | -172.3 | 0 | 0 | 0 | 0 | 0 | 114.2 | | |
| 738 | V | 35.4 | Very low | 30.7 | Very low | 117 Ų | 117 | 135.4 Ų | 135.4 | 71% | 0.709 | 81% | 0.805 | S | S | * | * | P | Polyproline II helix | trans | -93.1 | 126.1 | 179.4 | 177.3 | 0 | 0 | 0 | 0 | 110.8 | | |
| 739 | G | 27.3 | Very low | 30.6 | Very low | 67 Ų | 67 | 138.7 Ų | 138.7 | 69% | 0.691 | 81% | 0.812 | S | S | * | * | P | Polyproline II helix | trans | -88.7 | 134.9 | 169.2 | 0 | 0 | 0 | 0 | 0 | 112.1 | | |
| 740 | T | 29.5 | Very low | 30.9 | Very low | 132 Ų | 132 | 135.3 Ų | 135.3 | 81% | 0.81 | 80% | 0.801 | S | S | * | * | P | Polyproline II helix | trans | -82.3 | 119.7 | 177.1 | 50.4 | 0 | 0 | 0 | 0 | 111.6 | | |
| 741 | L | 28.7 | Very low | 30.5 | Very low | 174 Ų | 174 | 135.4 Ų | 135.4 | 91% | 0.911 | 79% | 0.792 | S | S | * | * | | | trans | -98.3 | 110.6 | 166.5 | -71.3 | 172.1 | 0 | 0 | 0 | 109.9 | | |
| 742 | T | 27.9 | Very low | 30.4 | Very low | 129 Ų | 129 | 132.5 Ų | 132.5 | 79% | 0.791 | 79% | 0.787 | S | S | * | * | | | trans | -75 | 146 | 165.8 | 46.4 | 0 | 0 | 0 | 0 | 110.2 | | |
| 743 | R | 29.8 | Very low | 30.3 | Very low | 245 Ų | 245 | 132.6 Ų | 132.6 | 93% | 0.925 | 79% | 0.788 | S | S | * | * | | | trans | -152 | 113 | 173.9 | -170 | 170.2 | 174.8 | 158 | -0.9 | 110.5 | | |
| 744 | D | 27.8 | Very low | 30.3 | Very low | 142 Ų | 142 | 135 Ų | 135 | 76% | 0.759 | 80% | 0.795 | S | S | * | * | | | trans | -74.9 | 169.6 | -177.9 | -73 | -84.3 | 0 | 0 | 0 | 114.6 | | |
| 745 | S | 31 | Very low | 30.2 | Very low | 119 Ų | 119 | 135 Ų | 135 | 83% | 0.832 | 80% | 0.795 | S | S | * | * | | | trans | 86.4 | 94.5 | 164.6 | -52.3 | 0 | 0 | 0 | 0 | 118.6 | | |
| 746 | E | 28.7 | Very low | 30.4 | Very low | 186 Ų | 186 | 133.5 Ų | 133.5 | 87% | 0.869 | 79% | 0.787 | S | S | * | * | | | trans | -72.7 | -177.6 | 141.2 | -70.4 | -163.9 | 96.1 | 0 | 0 | 110.9 | | |
| 747 | P | 49.8 | Very low | 30.4 | Very low | 116 Ų | 116 | 136.7 Ų | 136.7 | 75% | 0.753 | 79% | 0.794 | S | S | * | * | | | cis | -130.6 | 164.7 | -4.8 | 37.4 | -21.4 | 0 | 0 | 0 | 115.9 | | |
| 748 | A | 25.2 | Very low | 30.7 | Very low | 99 Ų | 99 | 140.5 Ų | 140.5 | 82% | 0.818 | 80% | 0.795 | S | S | * | * | | | trans | -159.3 | 124.7 | 150.1 | 0 | 0 | 0 | 0 | 0 | 112.6 | | |
| 749 | T | 28.5 | Very low | 30.6 | Very low | 136 Ų | 136 | 144.1 Ų | 144.1 | 83% | 0.834 | 80% | 0.804 | S | S | * | * | | | trans | -139.4 | 173.3 | 168.1 | 53.4 | 0 | 0 | 0 | 0 | 107.8 | | |
| 750 | P | 37.4 | Very low | 30.7 | Very low | 114 Ų | 114 | 150.3 Ų | 150.3 | 74% | 0.74 | 82% | 0.815 | S | S | * | * | | | cis | -115.2 | -145.3 | 0.6 | 26.8 | -1.2 | 0 | 0 | 0 | 110.3 | | |
| 751 | T | 25.2 | Very low | 31 | Very low | 105 Ų | 105 | 153.5 Ų | 153.5 | 64% | 0.644 | 82% | 0.82 | S | S | * | * | | | cis | -163.5 | 156.6 | 12.9 | -22.4 | 0 | 0 | 0 | 0 | 110.8 | | |
| 752 | T | 26.2 | Very low | 31.1 | Very low | 127 Ų | 127 | 153.3 Ų | 153.3 | 78% | 0.779 | 82% | 0.815 | S | S | * | * | | | trans | 61 | 147.6 | 161.4 | 52.1 | 0 | 0 | 0 | 0 | 118.2 | | |
| 753 | S | 26.5 | Very low | 31.4 | Very low | 106 Ų | 106 | 155.8 Ų | 155.8 | 74% | 0.741 | 82% | 0.818 | S | S | * | * | | | cis | -155.1 | 169.2 | -8.2 | -105.3 | 0 | 0 | 0 | 0 | 110.1 | | |
| 754 | N | 31.1 | Very low | 31.6 | Very low | 157 Ų | 157 | 152.7 Ų | 152.7 | 84% | 0.84 | 81% | 0.811 | S | S | * | * | | | trans | -70.2 | 148.7 | -174.1 | -36.7 | -71.8 | 0 | 0 | 0 | 114 | | |
| 755 | H | 27.7 | Very low | 31.7 | Very low | 175 Ų | 175 | 156.7 Ų | 156.7 | 81% | 0.81 | 83% | 0.825 | S | S | * | * | | | | -148.3 | 165.6 | 111.2 | -144 | -94.6 | 0 | 0 | 0 | 112.2 | | |
| 756 | L | 35.9 | Very low | 31.8 | Very low | 129 Ų | 129 | 158.6 Ų | 158.6 | 68% | 0.675 | 83% | 0.825 | S | S | * | * | | | trans | -80 | 151.2 | 176.6 | -65.5 | 153.6 | 0 | 0 | 0 | 111.5 | | |
| 757 | E | 30.2 | Very low | 31.9 | Very low | 197 Ų | 197 | 157.2 Ų | 157.2 | 92% | 0.921 | 82% | 0.823 | S | S | * | * | | | trans | -152.6 | 136.3 | 138 | -116.7 | 148.8 | -150.1 | 0 | 0 | 109.4 | | |
| 758 | E | 35.6 | Very low | 30.9 | Very low | 178 Ų | 178 | 159.4 Ų | 159.4 | 83% | 0.832 | 83% | 0.827 | S | S | * | * | | | trans | -108.6 | 125.1 | 178.2 | -61.4 | 172.5 | 124.4 | 0 | 0 | 106.8 | | |
| 759 | E | 32.5 | Very low | 31.3 | Very low | 193 Ų | 193 | 163 Ų | 163 | 90% | 0.902 | 83% | 0.827 | S | S | * | * | | | trans | -134.3 | 145.9 | 168.4 | -75.6 | -163.1 | 147.8 | 0 | 0 | 111 | | |
| 760 | E | 30.7 | Very low | 31.4 | Very low | 197 Ų | 197 | 164.7 Ų | 164.7 | 92% | 0.921 | 83% | 0.827 | S | S | * | * | | | trans | -92.4 | -179.2 | -148.1 | -62 | 175.8 | 109.7 | 0 | 0 | 114.6 | E762 | E760-E762 PolarHBondContact O-N 3.4Š|
| 761 | E | 35.6 | Very low | 31 | Very low | 199 Ų | 199 | 168.1 Ų | 168.1 | 93% | 0.93 | 83% | 0.832 | S | S | * | * | | | trans | -84.1 | 92.8 | 178 | -59.3 | -172.6 | 130.6 | 0 | 0 | 111.2 | E763 | E761-E763 PolarHBondContact O-N 2.78Š|
| 762 | E | 30.1 | Very low | 31.4 | Very low | 171 Ų | 171 | 172.6 Ų | 172.6 | 80% | 0.799 | 85% | 0.846 | S | S | * | * | | | trans | -78.1 | 109.1 | 165.7 | -89.1 | -155.5 | 141.6 | 0 | 0 | 112.1 | E760 | E760-E762 PolarHBondContact O-N 3.4Š|
| 763 | E | 34.7 | Very low | 31.8 | Very low | 181 Ų | 181 | 176.1 Ų | 176.1 | 85% | 0.846 | 85% | 0.851 | S | S | * | * | | | trans | -72.9 | 131 | 163.8 | 175.4 | 172.8 | -149.1 | 0 | 0 | 110.7 | E761 | E761-E763 PolarHBondContact O-N 2.78Š|
| 764 | F | 32.4 | Very low | 32.3 | Very low | 179 Ų | 179 | 181.9 Ų | 181.9 | 79% | 0.785 | 86% | 0.86 | S | S | * | * | | | trans | -149.1 | 142.4 | 172.4 | -101.5 | -75.3 | 0 | 0 | 0 | 112.9 | | |
| 765 | E | 31.1 | Very low | 32.4 | Very low | 227 Ų | 227 | 184.2 Ų | 184.2 | 100% | 1.061 | 86% | 0.862 | S | S | * | * | | | trans | -86.7 | 0 | -164.6 | -57.7 | -176.8 | 91.8 | 0 | 0 | 117.4 | K661 | K661-E765 PolarHBondContact NZ-OXT 2.89Š|