| 1 | M | 31.8 | Very low | 41.8 | Very low | 246 Ų | 246 | 144.9 Ų | 144.9 | 100% | 1.212 | 86% | 0.855 | S | S | * | * | | | | 0 | 132 | 0 | -84.1 | -77.3 | 158.6 | 0 | 0 | 107.6 | | |
| 2 | A | 39.6 | Very low | 41.6 | Very low | 101 Ų | 101 | 138.8 Ų | 138.8 | 84% | 0.835 | 83% | 0.832 | S | S | * | * | | | trans | -63.2 | 158.9 | -157.1 | 0 | 0 | 0 | 0 | 0 | 116.4 | | |
| 3 | S | 44.6 | Very low | 41.4 | Very low | 130 Ų | 130 | 142.3 Ų | 142.3 | 91% | 0.909 | 84% | 0.835 | S | S | * | * | | | | -174.1 | 152.1 | 105.1 | -134.9 | 0 | 0 | 0 | 0 | 112.8 | | |
| 4 | A | 43.9 | Very low | 40.9 | Very low | 97 Ų | 97 | 143.1 Ų | 143.1 | 80% | 0.802 | 83% | 0.834 | S | S | * | * | | | trans | -95.6 | 159.9 | -165.1 | 0 | 0 | 0 | 0 | 0 | 114.2 | | |
| 5 | G | 40.5 | Very low | 40.8 | Very low | 78 Ų | 78 | 138.9 Ų | 138.9 | 80% | 0.804 | 83% | 0.833 | S | S | * | * | | | trans | 89.2 | 125.2 | 132.8 | 0 | 0 | 0 | 0 | 0 | 118.1 | | |
| 6 | A | 44.3 | Very low | 40.7 | Very low | 103 Ų | 103 | 136.3 Ų | 136.3 | 85% | 0.851 | 83% | 0.831 | S | S | * | * | | | | -178.3 | 123.2 | 122.5 | 0 | 0 | 0 | 0 | 0 | 111 | | |
| 7 | Q | 43.7 | Very low | 40.6 | Very low | 181 Ų | 181 | 136.1 Ų | 136.1 | 85% | 0.846 | 83% | 0.83 | S | S | * | * | | | trans | -51.3 | 152 | 158.4 | -82.6 | 170 | -25.6 | 0 | 0 | 112 | | |
| 8 | R | 43.9 | Very low | 40.5 | Very low | 235 Ų | 235 | 136.7 Ų | 136.7 | 89% | 0.887 | 83% | 0.833 | S | S | * | * | | | | 169.9 | 121.3 | 112.1 | -89.2 | 178.7 | -163.7 | 176.2 | 5.8 | 111.1 | | |
| 9 | Q | 41.1 | Very low | 40.1 | Very low | 179 Ų | 179 | 133.1 Ų | 133.1 | 84% | 0.836 | 83% | 0.827 | S | S | * | * | | | trans | -93.4 | 145.9 | 140.1 | -80.4 | -88.8 | -25.2 | 0 | 0 | 105.5 | | |
| 10 | P | 51.5 | Low | 39.7 | Very low | 100 Ų | 100 | 134.8 Ų | 134.8 | 65% | 0.649 | 83% | 0.829 | S | S | * | * | | | | -140 | -177.5 | 78.9 | 35.1 | -13.7 | 0 | 0 | 0 | 109.9 | | |
| 11 | D | 35.3 | Very low | 39.3 | Very low | 144 Ų | 144 | 132 Ų | 132 | 77% | 0.77 | 82% | 0.819 | S | S | * | * | | | cis | -171.5 | 164 | 43.9 | -143.5 | -45.1 | 0 | 0 | 0 | 109.9 | | |
| 12 | A | 38.9 | Very low | 39.4 | Very low | 71 Ų | 71 | 128.6 Ų | 128.6 | 59% | 0.587 | 80% | 0.801 | S | S | * | * | | | trans | -66.3 | 158 | -179.5 | 0 | 0 | 0 | 0 | 0 | 113.5 | | |
| 13 | Q | 39.6 | Very low | 39 | Very low | 185 Ų | 185 | 131 Ų | 131 | 86% | 0.864 | 80% | 0.799 | S | S | * | * | | | | -168.7 | 117.2 | 120.5 | -109 | 175.4 | 26.9 | 0 | 0 | 113.7 | | |
| 14 | N | 34 | Very low | 38.4 | Very low | 154 Ų | 154 | 128.7 Ų | 128.7 | 82% | 0.824 | 79% | 0.787 | S | S | * | * | | | trans | 6.2 | 138.4 | 132.3 | -65.1 | -57.5 | 0 | 0 | 0 | 119 | | |
| 15 | G | 39.7 | Very low | 37.8 | Very low | 79 Ų | 79 | 132.2 Ų | 132.2 | 81% | 0.814 | 79% | 0.787 | S | S | * | * | | | trans | -174.7 | 72 | 160 | 0 | 0 | 0 | 0 | 0 | 112.8 | | |
| 16 | A | 38.9 | Very low | 37.7 | Very low | 97 Ų | 97 | 135.6 Ų | 135.6 | 80% | 0.802 | 79% | 0.786 | S | S | * | * | | | trans | -92.6 | 127.7 | 165 | 0 | 0 | 0 | 0 | 0 | 110 | | |
| 17 | T | 38.9 | Very low | 37.2 | Very low | 133 Ų | 133 | 136.4 Ų | 136.4 | 82% | 0.816 | 78% | 0.78 | S | S | * | * | | | trans | -160.5 | 106.4 | 164.5 | 33 | 0 | 0 | 0 | 0 | 106.5 | | |
| 18 | V | 39.5 | Very low | 36.5 | Very low | 147 Ų | 147 | 136.1 Ų | 136.1 | 89% | 0.891 | 78% | 0.779 | S | S | * | * | | | | 55.1 | 118.1 | 74.2 | -172.8 | 0 | 0 | 0 | 0 | 114.3 | | |
| 19 | G | 32.7 | Very low | 36 | Very low | 69 Ų | 69 | 130.4 Ų | 130.4 | 71% | 0.711 | 77% | 0.773 | S | S | * | * | | | trans | 150.7 | 86.4 | 162.2 | 0 | 0 | 0 | 0 | 0 | 112.6 | | |
| 20 | L | 31.1 | Very low | 36.3 | Very low | 166 Ų | 166 | 128 Ų | 128 | 87% | 0.869 | 77% | 0.773 | S | S | * | * | | | | 66.6 | 101.8 | 93.4 | -83.7 | 171.6 | 0 | 0 | 0 | 117 | | |
| 21 | A | 31.9 | Very low | 35.2 | Very low | 76 Ų | 76 | 126.7 Ų | 126.7 | 63% | 0.628 | 78% | 0.778 | S | S | * | * | | | | 73.6 | 142.7 | 121.3 | 0 | 0 | 0 | 0 | 0 | 123.1 | | |
| 22 | Q | 34.8 | Very low | 35.7 | Very low | 176 Ų | 176 | 126.3 Ų | 126.3 | 82% | 0.822 | 78% | 0.783 | S | S | * | * | | | trans | 87.2 | 137.7 | 162.2 | -55.7 | 178.1 | 58 | 0 | 0 | 114.5 | | |
| 23 | L | 31 | Very low | 35.4 | Very low | 151 Ų | 151 | 126.3 Ų | 126.3 | 79% | 0.791 | 79% | 0.79 | S | S | * | * | | | cis | -162.4 | 168.1 | 22.7 | -158.5 | 89.8 | 0 | 0 | 0 | 108.2 | | |
| 24 | A | 31.2 | Very low | 35.7 | Very low | 81 Ų | 81 | 124 Ų | 124 | 67% | 0.669 | 79% | 0.791 | S | S | * | * | | | trans | -30.9 | 156.6 | 172 | 0 | 0 | 0 | 0 | 0 | 116.7 | | |
| 25 | E | 31.1 | Very low | 35.8 | Very low | 172 Ų | 172 | 120.3 Ų | 120.3 | 80% | 0.804 | 79% | 0.789 | S | S | * | * | | | cis | -172.5 | 137.9 | 44.6 | -166.8 | 163.1 | 164.8 | 0 | 0 | 108.4 | | |
| 26 | I | 39.2 | Very low | 36.1 | Very low | 149 Ų | 149 | 125.5 Ų | 125.5 | 76% | 0.764 | 79% | 0.792 | S | S | * | * | | | trans | -15.2 | 140.2 | 163.6 | 13.3 | 172.7 | 0 | 0 | 0 | 118.2 | | |
| 27 | T | 32.7 | Very low | 36 | Very low | 120 Ų | 120 | 130.2 Ų | 130.2 | 74% | 0.736 | 80% | 0.795 | S | S | * | * | | | | 162.4 | 112.4 | 114.2 | -59.5 | 0 | 0 | 0 | 0 | 111.9 | | |
| 28 | E | 30.6 | Very low | 36.2 | Very low | 175 Ų | 175 | 129.8 Ų | 129.8 | 82% | 0.818 | 80% | 0.796 | S | S | * | * | | | trans | 46.9 | 109.8 | 131.9 | -149 | 170.5 | 131.6 | 0 | 0 | 122.2 | | |
| 29 | C | 31.6 | Very low | 36.2 | Very low | 115 Ų | 115 | 130.6 Ų | 130.6 | 78% | 0.777 | 79% | 0.794 | S | S | * | * | | | trans | 52.8 | 173.2 | 136.1 | -65.5 | 0 | 0 | 0 | 0 | 121.4 | | |
| 30 | P | 48.1 | Very low | 36.9 | Very low | 128 Ų | 128 | 133.9 Ų | 133.9 | 83% | 0.831 | 80% | 0.8 | S | S | * | * | | | cis | -130.5 | 179.2 | -21.6 | 24.3 | -1.3 | 0 | 0 | 0 | 112.9 | | |
| 31 | G | 27.8 | Very low | 37.5 | Very low | 72 Ų | 72 | 131.7 Ų | 131.7 | 74% | 0.742 | 80% | 0.796 | S | S | * | * | | | trans | 173.9 | 110.6 | 155.3 | 0 | 0 | 0 | 0 | 0 | 115.2 | | |
| 32 | P | 47.6 | Very low | 38 | Very low | 136 Ų | 136 | 132.1 Ų | 132.1 | 88% | 0.883 | 80% | 0.8 | S | S | * | * | | | trans | -93.4 | 129.6 | 167.3 | 33.6 | -24.7 | 0 | 0 | 0 | 110.1 | | |
| 33 | G | 31.9 | Very low | 38.4 | Very low | 71 Ų | 71 | 130.7 Ų | 130.7 | 73% | 0.732 | 79% | 0.793 | S | S | * | * | | | trans | -121.3 | 132.4 | 173.6 | 0 | 0 | 0 | 0 | 0 | 110.6 | | |
| 34 | P | 45.7 | Very low | 38.5 | Very low | 138 Ų | 138 | 131.9 Ų | 131.9 | 90% | 0.896 | 79% | 0.794 | S | S | * | * | | | trans | -86.4 | 146 | -168.7 | 35.3 | -33.2 | 0 | 0 | 0 | 111.3 | | |
| 35 | G | 35.8 | Very low | 39 | Very low | 75 Ų | 75 | 133 Ų | 133 | 77% | 0.773 | 79% | 0.793 | S | S | * | * | | | trans | -162.5 | 90.6 | 176.5 | 0 | 0 | 0 | 0 | 0 | 111.4 | | |
| 36 | E | 47 | Very low | 39.2 | Very low | 189 Ų | 189 | 131 Ų | 131 | 88% | 0.883 | 80% | 0.796 | S | S | * | * | | | trans | -51.8 | 137.6 | 166.3 | -62.1 | 174.7 | 142 | 0 | 0 | 111.2 | | |
| 37 | K | 36.1 | Very low | 39.1 | Very low | 196 Ų | 196 | 135.4 Ų | 135.4 | 85% | 0.852 | 80% | 0.803 | S | S | * | * | | | | 176.1 | 126.7 | 126 | 54.1 | -150.4 | 173.7 | -154.9 | 0 | 111.5 | | |
| 38 | C | 43.7 | Very low | 39.4 | Very low | 124 Ų | 124 | 135.6 Ų | 135.6 | 84% | 0.838 | 81% | 0.805 | S | S | * | * | | | trans | -42.9 | 136.5 | 166.6 | -52.7 | 0 | 0 | 0 | 0 | 112.6 | | |
| 39 | L | 39.7 | Very low | 39.9 | Very low | 163 Ų | 163 | 133.2 Ų | 133.2 | 85% | 0.853 | 80% | 0.804 | S | S | * | * | | | trans | -151.5 | 116 | 143.8 | -72.6 | -177.1 | 0 | 0 | 0 | 108.5 | | |
| 40 | V | 46.5 | Very low | 40.3 | Very low | 139 Ų | 139 | 133.3 Ų | 133.3 | 84% | 0.842 | 81% | 0.806 | S | S | * | * | | | trans | -83.9 | 132.9 | 156.9 | 173.9 | 0 | 0 | 0 | 0 | 107 | | |
| 41 | P | 43.3 | Very low | 40.1 | Very low | 119 Ų | 119 | 135.6 Ų | 135.6 | 77% | 0.773 | 81% | 0.806 | S | S | * | * | | | trans | -110.6 | 136.9 | 150.9 | -10 | 29.8 | 0 | 0 | 0 | 112.6 | | |
| 42 | A | 43.1 | Very low | 40.5 | Very low | 86 Ų | 86 | 137.5 Ų | 137.5 | 71% | 0.711 | 80% | 0.799 | S | S | * | * | | | trans | -78.1 | 157.3 | 177.1 | 0 | 0 | 0 | 0 | 0 | 113.1 | | |
| 43 | H | 42.4 | Very low | 40.4 | Very low | 146 Ų | 146 | 140.2 Ų | 140.2 | 68% | 0.676 | 80% | 0.797 | S | S | * | * | | | trans | 66.7 | 129 | 153.8 | 132.4 | -63.8 | 0 | 0 | 0 | 117 | | |
| 44 | E | 34.2 | Very low | 40.6 | Very low | 176 Ų | 176 | 146.1 Ų | 146.1 | 82% | 0.822 | 80% | 0.798 | S | S | * | * | | | trans | -160.5 | 103.4 | 131.6 | -109.4 | 177.5 | 178 | 0 | 0 | 111 | | |
| 45 | T | 41.8 | Very low | 40.4 | Very low | 105 Ų | 105 | 145 Ų | 145 | 64% | 0.644 | 79% | 0.793 | S | S | * | * | | | trans | -5.2 | 122.3 | 138.4 | -42.8 | 0 | 0 | 0 | 0 | 116.1 | | |
| 46 | C | 35.6 | Very low | 40.5 | Very low | 130 Ų | 130 | 148.2 Ų | 148.2 | 88% | 0.878 | 80% | 0.798 | S | S | * | * | | | trans | -151.4 | 92.8 | 147.6 | -91.8 | 0 | 0 | 0 | 0 | 110.1 | | |
| 47 | R | 35.9 | Very low | 40.2 | Very low | 241 Ų | 241 | 142 Ų | 142 | 91% | 0.909 | 79% | 0.785 | S | S | * | * | | | trans | -89.7 | 123.3 | 162.5 | -170.5 | -170.6 | -167.2 | -161.6 | 4.8 | 106.6 | | |
| 48 | T | 39.8 | Very low | 40.1 | Very low | 124 Ų | 124 | 141 Ų | 141 | 76% | 0.761 | 78% | 0.783 | S | S | * | * | | | trans | -107.3 | 137.6 | 166.4 | 50.6 | 0 | 0 | 0 | 0 | 109.6 | | |
| 49 | P | 40.8 | Very low | 39.8 | Very low | 124 Ų | 124 | 140.2 Ų | 140.2 | 81% | 0.805 | 78% | 0.779 | S | S | * | * | | | trans | -88 | 112.3 | 177.2 | 32.8 | -26.4 | 0 | 0 | 0 | 108.8 | | |
| 50 | S | 39.6 | Very low | 39.7 | Very low | 117 Ų | 117 | 141.2 Ų | 141.2 | 82% | 0.818 | 78% | 0.777 | S | S | * | * | P | Polyproline II helix | trans | -91 | 118.6 | 167.2 | 179.3 | 0 | 0 | 0 | 0 | 108 | D52 | S50-D52 PolarHBondContact O-N 3.34Š|
| 51 | E | 44.3 | Very low | 39.2 | Very low | 176 Ų | 176 | 142.7 Ų | 142.7 | 82% | 0.822 | 78% | 0.775 | S | S | * | * | P | Polyproline II helix | trans | -64.6 | 119.7 | -174.8 | -64.2 | 167.4 | 114.6 | 0 | 0 | 111.4 | K53 | E51-K53 PolarHBondContact O-N 3.17Š|
| 52 | D | 35.1 | Very low | 38.8 | Very low | 112 Ų | 112 | 142.5 Ų | 142.5 | 60% | 0.599 | 77% | 0.773 | S | S | * | * | P | Polyproline II helix | trans | -64.7 | 121.5 | 165.7 | -97.4 | -30.3 | 0 | 0 | 0 | 110.1 | S50 Y54 | S50-D52 PolarHBondContact O-N 3.34Å; D52-Y54 HydrophobicContact CB-CD2 3.86Å; D52-Y54 HydrophobicContact CB-CE2 3.37Å; D52-Y54 WeakPolarHBondContact OD2-CE2 3.45Å; D52-Y54 PolarHBondContact OD2-OH 3.09Å |
| 53 | K | 46.4 | Very low | 38.4 | Very low | 194 Ų | 194 | 146.7 Ų | 146.7 | 84% | 0.843 | 78% | 0.778 | S | S | * | * | | | trans | -112.4 | 91.1 | 156.4 | -70.1 | -70.1 | -179.9 | -175.7 | 0 | 107.9 | E51 | E51-K53 PolarHBondContact O-N 3.17Š|
| 54 | Y | 35.8 | Very low | 38.6 | Very low | 194 Ų | 194 | 148 Ų | 148 | 76% | 0.761 | 79% | 0.789 | S | S | * | * | | | trans | -57.3 | 130.2 | 169.8 | -66.5 | -88.9 | 0 | 0 | 0 | 111 | D52 | D52-Y54 HydrophobicContact CB-CD2 3.86Å; D52-Y54 HydrophobicContact CB-CE2 3.37Å; D52-Y54 WeakPolarHBondContact OD2-CE2 3.45Å; D52-Y54 PolarHBondContact OD2-OH 3.09Å |
| 55 | S | 42.1 | Very low | 38.5 | Very low | 114 Ų | 114 | 146.8 Ų | 146.8 | 80% | 0.797 | 78% | 0.783 | S | S | * | * | | | trans | -110.1 | 107.6 | 158.7 | 31.1 | 0 | 0 | 0 | 0 | 109.2 | | |
| 56 | V | 38.1 | Very low | 38.5 | Very low | 143 Ų | 143 | 151 Ų | 151 | 87% | 0.867 | 80% | 0.796 | S | S | * | * | | | trans | 26.7 | 100.3 | 143.6 | -175.5 | 0 | 0 | 0 | 0 | 117.3 | | |
| 57 | G | 40.3 | Very low | 38.9 | Very low | 59 Ų | 59 | 152.4 Ų | 152.4 | 61% | 0.608 | 79% | 0.79 | S | S | * | * | | | | 46.7 | 118.8 | 128.1 | 0 | 0 | 0 | 0 | 0 | 120.4 | | |
| 58 | H | 34.2 | Very low | 38.8 | Very low | 174 Ų | 174 | 144.3 Ų | 144.3 | 81% | 0.806 | 78% | 0.781 | S | S | * | * | | | | -155 | 112.3 | 123.7 | -97.6 | -68.7 | 0 | 0 | 0 | 109.5 | F60 | H58-F60 HydrophobicContact CB-CE2 4.26Š|
| 59 | S | 36.2 | Very low | 38.8 | Very low | 109 Ų | 109 | 146 Ų | 146 | 76% | 0.762 | 78% | 0.784 | S | S | * | * | | | trans | -77.9 | 133.1 | 163.1 | 52.5 | 0 | 0 | 0 | 0 | 109 | | |
| 60 | F | 37.6 | Very low | 38.8 | Very low | 184 Ų | 184 | 147.3 Ų | 147.3 | 81% | 0.807 | 78% | 0.784 | S | S | * | * | | | trans | -122.1 | 110.8 | 156.9 | -78 | -78 | 0 | 0 | 0 | 108.3 | H58 | H58-F60 HydrophobicContact CB-CE2 4.26Š|
| 61 | E | 36.1 | Very low | 38.6 | Very low | 170 Ų | 170 | 151.6 Ų | 151.6 | 79% | 0.794 | 78% | 0.782 | S | S | * | * | | | trans | -82.2 | 136.1 | 163 | -166.3 | -150.4 | 164.2 | 0 | 0 | 107.9 | E63 | E61-E63 PolarHBondContact O-N 3.33Š|
| 62 | P | 35.7 | Very low | 38.3 | Very low | 115 Ų | 115 | 147 Ų | 147 | 75% | 0.747 | 78% | 0.782 | S | S | * | * | | | trans | -83.2 | 107.5 | 171.2 | 29.6 | -28.5 | 0 | 0 | 0 | 110.7 | L64 | P62-L64 PolarHBondContact O-N 2.7Š|
| 63 | E | 34.6 | Very low | 38.8 | Very low | 174 Ų | 174 | 148.2 Ų | 148.2 | 81% | 0.813 | 78% | 0.784 | S | S | * | * | | | trans | -71.3 | 114.2 | 171.3 | -157.4 | 171 | 162.2 | 0 | 0 | 109.7 | E61 | E61-E63 PolarHBondContact O-N 3.33Š|
| 64 | L | 46.1 | Very low | 38.2 | Very low | 172 Ų | 172 | 148.7 Ų | 148.7 | 90% | 0.901 | 79% | 0.789 | S | S | * | * | | | trans | -84.5 | 103.6 | 170 | -76.6 | 171.2 | 0 | 0 | 0 | 108.8 | P62 | P62-L64 PolarHBondContact O-N 2.7Š|
| 65 | Q | 33.3 | Very low | 38.2 | Very low | 151 Ų | 151 | 143 Ų | 143 | 71% | 0.706 | 79% | 0.789 | S | S | * | * | | | trans | -98.4 | 94.4 | 168.4 | -162.5 | 169.1 | 9.7 | 0 | 0 | 110.6 | E67 | Q65-E67 HydrophobicContact CG-CB 4.32Å; Q65-E67 PolarHBondContact NE2-OE2 3.33Å |
| 66 | E | 41.7 | Very low | 37.9 | Very low | 195 Ų | 195 | 144.9 Ų | 144.9 | 91% | 0.911 | 79% | 0.79 | S | S | * | * | | | trans | -83.1 | 111.6 | 154.4 | -179.2 | -172.5 | 140.4 | 0 | 0 | 107.3 | | |
| 67 | E | 43.6 | Very low | 38 | Very low | 159 Ų | 159 | 144.9 Ų | 144.9 | 74% | 0.743 | 78% | 0.784 | S | S | * | * | | | trans | -149.4 | 109.7 | 166.7 | -156.3 | 160.5 | 170 | 0 | 0 | 113 | Q65 | Q65-E67 HydrophobicContact CG-CB 4.32Å; Q65-E67 PolarHBondContact NE2-OE2 3.33Å |
| 68 | G | 34.3 | Very low | 38.3 | Very low | 71 Ų | 71 | 148.1 Ų | 148.1 | 73% | 0.732 | 80% | 0.795 | S | S | * | * | | | | 75.1 | 96.7 | 123.1 | 0 | 0 | 0 | 0 | 0 | 119.4 | | |
| 69 | I | 38.6 | Very low | 38.2 | Very low | 160 Ų | 160 | 143.1 Ų | 143.1 | 82% | 0.821 | 79% | 0.79 | S | S | * | * | | | trans | -55.6 | 132.9 | 155.5 | -63.4 | 156.8 | 0 | 0 | 0 | 110.6 | | |
| 70 | N | 41.8 | Very low | 38.2 | Very low | 150 Ų | 150 | 144.4 Ų | 144.4 | 80% | 0.802 | 79% | 0.793 | S | S | * | * | | | trans | -174.1 | 110.3 | 144.2 | -82.7 | -46 | 0 | 0 | 0 | 109.6 | | |
| 71 | R | 35.7 | Very low | 38.1 | Very low | 208 Ų | 208 | 144.3 Ų | 144.3 | 79% | 0.785 | 80% | 0.796 | S | S | * | * | | | | 63.8 | 104.2 | 91.8 | -158.3 | 179.3 | -166.1 | -81.1 | -12.8 | 113.9 | E73 | R71-E73 IonicContact CZ-OE1 3.11Å; R71-E73 IonicContact NE-OE1 3.9Å; R71-E73 IonicContact NH1-OE1 3.33Å; R71-E73 PolarHBondContact NH1-OE1 3.12Å; R71-E73 IonicContact NH2-OE1 2.7Å; R71-E73 PolarHBondContact NH2-OE1 2.97Å |
| 72 | G | 37 | Very low | 38.2 | Very low | 79 Ų | 79 | 140.6 Ų | 140.6 | 81% | 0.814 | 79% | 0.793 | S | S | * | * | | | trans | -171.4 | 112.7 | 167.7 | 0 | 0 | 0 | 0 | 0 | 110.6 | | |
| 73 | E | 44.6 | Very low | 38.5 | Very low | 137 Ų | 137 | 138.9 Ų | 138.9 | 64% | 0.64 | 80% | 0.797 | S | S | * | * | | | trans | -116.3 | 111.4 | -167.5 | 39.2 | -175.8 | 120.1 | 0 | 0 | 107.9 | R71 | R71-E73 IonicContact CZ-OE1 3.11Å; R71-E73 IonicContact NE-OE1 3.9Å; R71-E73 IonicContact NH1-OE1 3.33Å; R71-E73 PolarHBondContact NH1-OE1 3.12Å; R71-E73 IonicContact NH2-OE1 2.7Å; R71-E73 PolarHBondContact NH2-OE1 2.97Å |
| 74 | E | 34.3 | Very low | 38.9 | Very low | 205 Ų | 205 | 140.2 Ų | 140.2 | 96% | 0.958 | 80% | 0.803 | S | S | * | * | | | trans | -174.3 | 133.4 | 169.6 | -128.8 | 174.6 | 140.6 | 0 | 0 | 107.3 | | |
| 75 | G | 35.7 | Very low | 39 | Very low | 73 Ų | 73 | 140.5 Ų | 140.5 | 75% | 0.753 | 80% | 0.8 | S | S | * | * | | | cis | -170.3 | 163.4 | 6.8 | 0 | 0 | 0 | 0 | 0 | 107.4 | | |
| 76 | L | 36.9 | Very low | 39.6 | Very low | 155 Ų | 155 | 145.1 Ų | 145.1 | 81% | 0.812 | 81% | 0.811 | S | S | * | * | | | trans | -92.7 | 156.8 | -157.7 | -62.3 | 156.3 | 0 | 0 | 0 | 115.4 | | |
| 77 | N | 40.5 | Very low | 39.8 | Very low | 142 Ų | 142 | 138.2 Ų | 138.2 | 76% | 0.759 | 79% | 0.792 | S | S | * | * | | | trans | 96.7 | 165.3 | 145.7 | -52.7 | -48.4 | 0 | 0 | 0 | 119.1 | | |
| 78 | P | 46.5 | Very low | 40.1 | Very low | 127 Ų | 127 | 136.8 Ų | 136.8 | 83% | 0.825 | 80% | 0.796 | S | S | * | * | | | | -137.1 | 170.8 | -86.5 | 36.1 | -14.7 | 0 | 0 | 0 | 113.4 | | |
| 79 | G | 32 | Very low | 41.1 | Very low | 69 Ų | 69 | 143 Ų | 143 | 71% | 0.711 | 80% | 0.803 | S | S | * | * | | | trans | 177.6 | 107.6 | 165.8 | 0 | 0 | 0 | 0 | 0 | 117.9 | | |
| 80 | V | 36 | Very low | 41.6 | Very low | 136 Ų | 136 | 140.7 Ų | 140.7 | 82% | 0.824 | 80% | 0.799 | S | S | * | * | | | trans | 74.4 | 95 | 144.1 | -172.7 | 0 | 0 | 0 | 0 | 116.3 | | |
| 81 | E | 36.1 | Very low | 41.5 | Very low | 183 Ų | 183 | 139.3 Ų | 139.3 | 86% | 0.855 | 80% | 0.796 | S | S | * | * | | | | 68.5 | 139.6 | 104.9 | -77.9 | -122.6 | 150.9 | 0 | 0 | 114.3 | | |
| 82 | A | 38.2 | Very low | 41.7 | Very low | 91 Ų | 91 | 135 Ų | 135 | 75% | 0.752 | 80% | 0.798 | S | S | * | * | | | cis | -162.4 | 149.2 | 0.3 | 0 | 0 | 0 | 0 | 0 | 105.8 | | |
| 83 | G | 39.9 | Very low | 42.2 | Very low | 80 Ų | 80 | 136.3 Ų | 136.3 | 83% | 0.825 | 79% | 0.794 | S | S | * | * | | | trans | 167.3 | 87.6 | 178.6 | 0 | 0 | 0 | 0 | 0 | 112.1 | E85 | G83-E85 PolarHBondContact O-N 3.16Š|
| 84 | E | 43.6 | Very low | 42.3 | Very low | 202 Ų | 202 | 137 Ų | 137 | 94% | 0.944 | 80% | 0.801 | S | S | * | * | | | trans | -70.3 | 115.3 | -176.9 | -148.1 | 175.1 | 127.7 | 0 | 0 | 111.2 | | |
| 85 | E | 47.7 | Very low | 42.9 | Very low | 178 Ų | 178 | 133.2 Ų | 133.2 | 83% | 0.832 | 79% | 0.791 | S | S | * | * | | | trans | -151.7 | 110.7 | 149 | -154.3 | -141.1 | 139.4 | 0 | 0 | 110.6 | G83 G87 | G83-E85 PolarHBondContact O-N 3.16Å; E85-G87 PolarHBondContact O-N 3.33Å |
| 86 | R | 46.1 | Very low | 43.9 | Very low | 248 Ų | 248 | 140 Ų | 140 | 94% | 0.936 | 79% | 0.794 | S | S | * | * | | | trans | -87.7 | 88.9 | 177.2 | -82 | -91.3 | -174.3 | 152.5 | -1.2 | 109.3 | | |
| 87 | G | 47.2 | Very low | 44.6 | Very low | 49 Ų | 49 | 138.7 Ų | 138.7 | 51% | 0.505 | 80% | 0.795 | S | S | . | * | | | trans | -107.2 | 130.3 | 164.6 | 0 | 0 | 0 | 0 | 0 | 111.2 | E85 K89 | E85-G87 PolarHBondContact O-N 3.33Å; G87-K89 PolarHBondContact O-N 3.29Å |
| 88 | P | 49.8 | Very low | 45.1 | Very low | 129 Ų | 129 | 137.2 Ų | 137.2 | 84% | 0.838 | 80% | 0.796 | S | S | * | * | | | trans | -70.5 | 121.3 | -177.5 | 26.2 | -32 | 0 | 0 | 0 | 112 | P90 | P88-P90 WeakPolarHBondContact O-CD 3.27Š|
| 89 | K | 54.9 | Low | 45.1 | Very low | 202 Ų | 202 | 138.2 Ų | 138.2 | 88% | 0.878 | 79% | 0.789 | S | S | * | * | | | trans | -81.7 | 129.2 | 161 | -81.8 | 170.4 | 174.6 | 163.4 | 0 | 110 | G87 | G87-K89 PolarHBondContact O-N 3.29Š|
| 90 | P | 48.8 | Very low | 46.1 | Very low | 111 Ų | 111 | 137.5 Ų | 137.5 | 72% | 0.721 | 78% | 0.782 | S | S | * | * | | | trans | -117.2 | 101.1 | 152.3 | 27 | -11.7 | 0 | 0 | 0 | 109.2 | P88 | P88-P90 WeakPolarHBondContact O-CD 3.27Š|
| 91 | T | 40.2 | Very low | 47.1 | Very low | 121 Ų | 121 | 137.5 Ų | 137.5 | 74% | 0.742 | 79% | 0.785 | S | S | * | * | | | | 47.5 | 107.9 | 97.9 | 61.4 | 0 | 0 | 0 | 0 | 114 | S93 | T91-S93 PolarHBondContact O-N 3.36Å; T91-S93 VanDerWaalsContact O-N 3.16Å |
| 92 | S | 40.7 | Very low | 47.9 | Very low | 118 Ų | 118 | 137.3 Ų | 137.3 | 83% | 0.825 | 78% | 0.781 | S | S | * | * | | | trans | -39.7 | 111.3 | 162.2 | 39 | 0 | 0 | 0 | 0 | 112.4 | I94 | S92-I94 PolarHBondContact O-N 2.96Š|
| 93 | S | 45.6 | Very low | 48.8 | Very low | 106 Ų | 106 | 144.6 Ų | 144.6 | 74% | 0.741 | 79% | 0.789 | S | S | * | * | | | trans | -87.1 | 91.2 | 167.5 | 169.5 | 0 | 0 | 0 | 0 | 108.8 | T91 V95 | T91-S93 PolarHBondContact O-N 3.36Å; T91-S93 VanDerWaalsContact O-N 3.16Å; S93-V95 PolarHBondContact O-N 3.15Å; S93-V95 VanDerWaalsContact O-N 3.12Å |
| 94 | I | 47.7 | Very low | 49.6 | Very low | 152 Ų | 152 | 150.4 Ų | 150.4 | 78% | 0.779 | 79% | 0.792 | S | S | * | * | | | trans | -63.8 | 107.8 | 162.4 | -89.7 | 162.4 | 0 | 0 | 0 | 107.7 | S92 R96 | S92-I94 PolarHBondContact O-N 2.96Å; I94-R96 PolarHBondContact O-N 3.47Å; I94-R96 VanDerWaalsContact O-N 3.17Å |
| 95 | V | 46.9 | Very low | 49.9 | Very low | 125 Ų | 125 | 146.5 Ų | 146.5 | 76% | 0.758 | 78% | 0.784 | S | S | * | * | | | trans | -68.5 | 109.2 | 168 | 173.1 | 0 | 0 | 0 | 0 | 107.3 | S93 | S93-V95 PolarHBondContact O-N 3.15Å; S93-V95 VanDerWaalsContact O-N 3.12Å |
| 96 | R | 56.9 | Low | 49.8 | Very low | 216 Ų | 216 | 146.3 Ų | 146.3 | 82% | 0.815 | 79% | 0.786 | S | S | * | * | | | trans | -74.3 | 122.7 | 175.6 | -153 | 176 | -172.4 | 171.6 | 2.6 | 108.5 | I94 S98 | I94-R96 PolarHBondContact O-N 3.47Å; I94-R96 VanDerWaalsContact O-N 3.17Å; R96-S98 PolarHBondContact O-N 3.41Å; R96-S98 VanDerWaalsContact O-N 3.09Å |
| 97 | P | 51.2 | Low | 49.8 | Very low | 128 Ų | 128 | 144.1 Ų | 144.1 | 83% | 0.831 | 78% | 0.784 | S | S | * | * | | | trans | -71.3 | 108.1 | 171.2 | -9.8 | 25.3 | 0 | 0 | 0 | 107.7 | | |
| 98 | S | 50.4 | Low | 49.2 | Very low | 110 Ų | 110 | 146 Ų | 146 | 77% | 0.769 | 79% | 0.794 | S | S | * | * | | | trans | -99.8 | 117.2 | 175.9 | 48.5 | 0 | 0 | 0 | 0 | 110.5 | R96 | R96-S98 PolarHBondContact O-N 3.41Å; R96-S98 VanDerWaalsContact O-N 3.09Å |
| 99 | H | 48.1 | Very low | 48.6 | Very low | 148 Ų | 148 | 149.1 Ų | 149.1 | 69% | 0.685 | 80% | 0.798 | S | S | * | * | | | trans | 78.9 | 93.9 | 138.2 | -145.7 | -65.4 | 0 | 0 | 0 | 118.3 | | |
| 100 | G | 51.4 | Low | 47.8 | Very low | 55 Ų | 55 | 143.9 Ų | 143.9 | 57% | 0.567 | 79% | 0.792 | S | S | * | * | P | Polyproline II helix | trans | -63.5 | 150.2 | 161.4 | 0 | 0 | 0 | 0 | 0 | 112.7 | K102 | G100-K102 PolarHBondContact O-N 3.41Š|
| 101 | P | 58.8 | Low | 47.1 | Very low | 135 Ų | 135 | 147.7 Ų | 147.7 | 88% | 0.877 | 80% | 0.8 | S | S | * | * | P | Polyproline II helix | trans | -69.7 | 121.3 | 173.6 | -17.8 | 31.2 | 0 | 0 | 0 | 111.5 | | |
| 102 | K | 52 | Low | 47.3 | Very low | 179 Ų | 179 | 149.9 Ų | 149.9 | 78% | 0.778 | 81% | 0.806 | S | S | * | * | P | Polyproline II helix | trans | -69.7 | 138 | 174.6 | -69.6 | -168.9 | 175.6 | -177 | 0 | 111.3 | G100 | G100-K102 PolarHBondContact O-N 3.41Š|
| 103 | R | 57.2 | Low | 47.7 | Very low | 244 Ų | 244 | 149.9 Ų | 149.9 | 92% | 0.921 | 80% | 0.804 | S | S | * | * | P | Polyproline II helix | trans | -51.6 | 150.1 | 171.1 | -65 | 174.8 | 167.6 | 158 | -4.1 | 112.4 | | |
| 104 | K | 57.2 | Low | 47.7 | Very low | 203 Ų | 203 | 151 Ų | 151 | 88% | 0.883 | 81% | 0.808 | S | S | * | * | | | trans | -111.2 | 141.6 | 152.7 | -70.1 | -169.4 | 179.8 | -177.8 | 0 | 109.6 | | |
| 105 | P | 49.8 | Very low | 47.1 | Very low | 119 Ų | 119 | 147.1 Ų | 147.1 | 77% | 0.773 | 81% | 0.806 | S | S | * | * | | | trans | -100.6 | 135.2 | 179.6 | 35.7 | -27.3 | 0 | 0 | 0 | 111.8 | | |
| 106 | I | 45.6 | Very low | 46.5 | Very low | 174 Ų | 174 | 149.8 Ų | 149.8 | 89% | 0.892 | 82% | 0.815 | S | S | * | * | | | trans | -140.7 | 127.8 | 157.3 | -58.2 | -177.7 | 0 | 0 | 0 | 108.6 | | |
| 107 | K | 44.8 | Very low | 45.6 | Very low | 203 Ų | 203 | 146.7 Ų | 146.7 | 88% | 0.883 | 81% | 0.814 | S | S | * | * | | | trans | -72.4 | 164.8 | 177.6 | -54.7 | 168.7 | 175.9 | -179.6 | 0 | 109.6 | | |
| 108 | A | 35.4 | Very low | 45 | Very low | 87 Ų | 87 | 147.7 Ų | 147.7 | 72% | 0.719 | 81% | 0.812 | S | S | * | * | | | cis | -161 | 140.6 | 21.7 | 0 | 0 | 0 | 0 | 0 | 107.3 | | |
| 109 | E | 36.5 | Very low | 44.2 | Very low | 195 Ų | 195 | 150.2 Ų | 150.2 | 91% | 0.911 | 81% | 0.811 | S | S | * | * | | | | 58.2 | 105.6 | 107.4 | -156.1 | -174.4 | 152.5 | 0 | 0 | 116.3 | | |
| 110 | A | 38.3 | Very low | 43.9 | Very low | 92 Ų | 92 | 151.2 Ų | 151.2 | 76% | 0.76 | 81% | 0.814 | S | S | * | * | | | trans | -165.4 | 103 | 146.6 | 0 | 0 | 0 | 0 | 0 | 110.4 | | |
| 111 | E | 35.4 | Very low | 43.3 | Very low | 192 Ų | 192 | 155.9 Ų | 155.9 | 90% | 0.897 | 82% | 0.821 | S | S | * | * | | | trans | 47.2 | 117 | 144.9 | -64 | -179.7 | 122.5 | 0 | 0 | 121.8 | | |
| 112 | L | 44.3 | Very low | 42.4 | Very low | 166 Ų | 166 | 155.8 Ų | 155.8 | 87% | 0.869 | 81% | 0.808 | S | S | * | * | | | trans | -86.9 | 155 | 146.3 | -80.7 | 176.7 | 0 | 0 | 0 | 108.2 | | |
| 113 | P | 49 | Very low | 42.6 | Very low | 119 Ų | 119 | 153 Ų | 153 | 77% | 0.773 | 81% | 0.809 | S | S | * | * | | | | -155.8 | -152.5 | 74 | 47.1 | -23.5 | 0 | 0 | 0 | 114.5 | | |
| 114 | P | 45.8 | Very low | 42.3 | Very low | 128 Ų | 128 | 149.6 Ų | 149.6 | 83% | 0.831 | 80% | 0.803 | S | S | * | * | | | | -120.9 | 165.2 | -116 | 28.9 | -4.7 | 0 | 0 | 0 | 114.4 | | |
| 115 | G | 33.7 | Very low | 41.3 | Very low | 72 Ų | 72 | 143.2 Ų | 143.2 | 74% | 0.742 | 80% | 0.795 | S | S | * | * | | | trans | -168.1 | 100.8 | 178.1 | 0 | 0 | 0 | 0 | 0 | 118.3 | | |
| 116 | L | 34.2 | Very low | 41 | Very low | 181 Ų | 181 | 143.6 Ų | 143.6 | 95% | 0.948 | 80% | 0.8 | S | S | * | * | | | trans | 78.3 | 109.5 | 142.6 | -63.3 | 173.1 | 0 | 0 | 0 | 122 | | |
| 117 | L | 39.3 | Very low | 40.6 | Very low | 151 Ų | 151 | 144.2 Ų | 144.2 | 79% | 0.791 | 80% | 0.799 | S | S | * | * | | | trans | -63.7 | 152.9 | 154.3 | -142 | -176.8 | 0 | 0 | 0 | 111.3 | | |
| 118 | L | 37.1 | Very low | 40.3 | Very low | 148 Ų | 148 | 139.8 Ų | 139.8 | 78% | 0.775 | 79% | 0.794 | S | S | * | * | | | trans | 102.1 | 122.5 | 144.6 | -147.5 | 75.5 | 0 | 0 | 0 | 118.7 | | |
| 119 | Q | 34.4 | Very low | 40.6 | Very low | 163 Ų | 163 | 144.3 Ų | 144.3 | 76% | 0.762 | 80% | 0.8 | S | S | * | * | | | trans | 161.9 | 103.8 | 133.4 | -75.1 | -106.4 | 22.5 | 0 | 0 | 108.3 | | |
| 120 | K | 41.3 | Very low | 41 | Very low | 170 Ų | 170 | 140.3 Ų | 140.3 | 74% | 0.739 | 79% | 0.794 | S | S | * | * | | | | 55.9 | 135 | 94.8 | -126.6 | -169.8 | 176.6 | -149.7 | 0 | 112.1 | | |
| 121 | E | 39.3 | Very low | 41.3 | Very low | 152 Ų | 152 | 142 Ų | 142 | 71% | 0.71 | 80% | 0.8 | S | S | * | * | | | cis | -179.9 | 154.1 | 38.7 | -170.3 | 167.1 | 88.6 | 0 | 0 | 107.1 | | |
| 122 | E | 39 | Very low | 42.1 | Very low | 133 Ų | 133 | 141.7 Ų | 141.7 | 62% | 0.621 | 80% | 0.803 | S | S | * | * | | | trans | -70.1 | 165.4 | 169 | -157.2 | -149.4 | 107 | 0 | 0 | 111.3 | E124 | E122-E124 PolarHBondContact OE1-N 3.17Š|
| 123 | P | 57.8 | Low | 42.1 | Very low | 121 Ų | 121 | 139.2 Ų | 139.2 | 79% | 0.786 | 80% | 0.8 | S | S | * | * | | | | -151.1 | 155.7 | 88.6 | 34.5 | -13.4 | 0 | 0 | 0 | 117.4 | | |
| 124 | E | 49.2 | Very low | 42 | Very low | 173 Ų | 173 | 138 Ų | 138 | 81% | 0.808 | 80% | 0.8 | S | S | * | * | | | trans | -64.1 | 151.8 | 164.5 | -80.4 | 170.7 | 90.7 | 0 | 0 | 115.6 | E122 | E122-E124 PolarHBondContact OE1-N 3.17Š|
| 125 | G | 36 | Very low | 42.5 | Very low | 68 Ų | 68 | 141.4 Ų | 141.4 | 70% | 0.701 | 80% | 0.802 | S | S | * | * | | | trans | 110.8 | 124.5 | 146 | 0 | 0 | 0 | 0 | 0 | 118.9 | | |
| 126 | S | 44.8 | Very low | 44 | Very low | 127 Ų | 127 | 147.1 Ų | 147.1 | 89% | 0.888 | 81% | 0.809 | S | S | * | * | | | | -179.5 | 128.9 | 128.2 | -80.3 | 0 | 0 | 0 | 0 | 113.8 | | |
| 127 | H | 36.3 | Very low | 45.1 | Very low | 187 Ų | 187 | 146.6 Ų | 146.6 | 87% | 0.866 | 80% | 0.801 | S | S | * | * | | | trans | -73 | 179.1 | 173.1 | -72.6 | -102.2 | 0 | 0 | 0 | 113.6 | | |
| 128 | S | 40 | Very low | 46.3 | Very low | 110 Ų | 110 | 148.7 Ų | 148.7 | 77% | 0.769 | 80% | 0.804 | S | S | * | * | | | trans | 106.6 | 103.9 | 157.3 | 67.8 | 0 | 0 | 0 | 0 | 115.5 | | |
| 129 | E | 40 | Very low | 47.2 | Very low | 183 Ų | 183 | 151.3 Ų | 151.3 | 86% | 0.855 | 81% | 0.809 | S | S | * | * | | | | 95.6 | 124.9 | 64 | -82.2 | -159.6 | 134.5 | 0 | 0 | 114.2 | | |
| 130 | S | 46.6 | Very low | 48.6 | Very low | 111 Ų | 111 | 148.8 Ų | 148.8 | 78% | 0.776 | 82% | 0.816 | S | S | * | * | | | trans | 84.1 | 127 | 147.9 | 79 | 0 | 0 | 0 | 0 | 121.1 | | |
| 131 | S | 44.7 | Very low | 49.4 | Very low | 128 Ų | 128 | 150.5 Ų | 150.5 | 90% | 0.895 | 82% | 0.824 | S | S | * | * | | | trans | -163.7 | 98 | 134.4 | -80.8 | 0 | 0 | 0 | 0 | 110.7 | | |
| 132 | L | 50.5 | Low | 50.3 | Low | 184 Ų | 184 | 151.5 Ų | 151.5 | 96% | 0.963 | 83% | 0.826 | S | S | * | * | | | trans | -85.9 | 127.7 | 162.9 | -71.5 | 169 | 0 | 0 | 0 | 108.4 | | |
| 133 | S | 45.3 | Very low | 51.5 | Low | 115 Ų | 115 | 155.2 Ų | 155.2 | 80% | 0.804 | 83% | 0.834 | S | S | * | * | | | trans | -124.4 | 102.5 | 170.9 | 84.2 | 0 | 0 | 0 | 0 | 113.2 | | |
| 134 | A | 47.1 | Very low | 51.4 | Low | 93 Ų | 93 | 159.4 Ų | 159.4 | 77% | 0.769 | 84% | 0.84 | S | S | * | * | | | trans | 27.8 | 123.5 | 133.6 | 0 | 0 | 0 | 0 | 0 | 121.1 | | |
| 135 | K | 54.9 | Low | 51.5 | Low | 200 Ų | 200 | 156.2 Ų | 156.2 | 87% | 0.87 | 84% | 0.837 | S | S | * | * | | | | -161.5 | 110.3 | 125.5 | -109.6 | 166.5 | -177.6 | 175.8 | 0 | 111.2 | | |
| 136 | Q | 66.5 | Low | 52.4 | Low | 191 Ų | 191 | 160.1 Ų | 160.1 | 89% | 0.893 | 85% | 0.847 | S | S | * | * | | | trans | -85.2 | 146.8 | 173.9 | -69.3 | 178.3 | -50 | 0 | 0 | 111.5 | | |
| 137 | H | 56 | Low | 52.4 | Low | 170 Ų | 170 | 157.6 Ų | 157.6 | 79% | 0.787 | 84% | 0.84 | S | S | * | * | | | trans | -151.7 | 103.5 | 147.8 | 20.1 | -89.6 | 0 | 0 | 0 | 112.6 | | |
| 138 | K | 65.3 | Low | 53.1 | Low | 196 Ų | 196 | 153 Ų | 153 | 85% | 0.852 | 84% | 0.835 | S | S | * | * | | | | 47.7 | 112.4 | 126.1 | -158.6 | 170.1 | -179.3 | 177.6 | 0 | 120.9 | | |
| 139 | K | 57.1 | Low | 53.8 | Low | 202 Ų | 202 | 153.7 Ų | 153.7 | 88% | 0.878 | 84% | 0.837 | S | S | * | * | | | trans | 22.3 | 121.1 | 142.5 | -76.5 | -177.2 | 173.8 | 177 | 0 | 119 | | |
| 140 | A | 62.6 | Low | 54.6 | Low | 110 Ų | 110 | 151.1 Ų | 151.1 | 91% | 0.909 | 83% | 0.834 | S | S | * | * | | | trans | -148.6 | 126 | 136.8 | 0 | 0 | 0 | 0 | 0 | 111.2 | | |
| 141 | K | 57.8 | Low | 55.2 | Low | 207 Ų | 207 | 150.8 Ų | 150.8 | 90% | 0.9 | 83% | 0.829 | S | S | * | * | | | trans | -105.1 | 123.5 | 170.8 | 168.3 | 165.6 | 180 | 165.2 | 0 | 107.7 | | |
| 142 | K | 59.2 | Low | 55.8 | Low | 172 Ų | 172 | 151 Ų | 151 | 75% | 0.748 | 83% | 0.827 | S | S | * | * | | | trans | 153.6 | 147.1 | 163.5 | -96.1 | -168.3 | 171.1 | -176.3 | 0 | 106.4 | | |
| 143 | R | 62.9 | Low | 55.6 | Low | 212 Ų | 212 | 146.7 Ų | 146.7 | 80% | 0.8 | 82% | 0.818 | S | S | * | * | | | cis | -171.2 | 159.9 | -6.8 | -119.7 | 172.8 | 167.3 | -164.1 | -8.1 | 104.6 | | |
| 144 | K | 57.7 | Low | 55.7 | Low | 208 Ų | 208 | 149.5 Ų | 149.5 | 90% | 0.904 | 82% | 0.823 | S | S | * | * | | | trans | -43.5 | 145.1 | 175.1 | -61.9 | 178.9 | 170 | -174.6 | 0 | 115.5 | | |
| 145 | S | 51.3 | Low | 55.4 | Low | 107 Ų | 107 | 149.7 Ų | 149.7 | 75% | 0.748 | 82% | 0.824 | S | S | * | * | | | trans | -174.3 | 111.8 | 131 | 54.2 | 0 | 0 | 0 | 0 | 108.3 | | |
| 146 | V | 53.7 | Low | 54.7 | Low | 150 Ų | 150 | 143.3 Ų | 143.3 | 91% | 0.909 | 82% | 0.816 | S | S | * | * | | | | 51.5 | 103.1 | 89.4 | -179.2 | 0 | 0 | 0 | 0 | 111.7 | | |
| 147 | G | 44.3 | Very low | 53.2 | Low | 73 Ų | 73 | 141 Ų | 141 | 75% | 0.753 | 82% | 0.815 | S | S | * | * | | | trans | 179.4 | 69.7 | 174.2 | 0 | 0 | 0 | 0 | 0 | 109.1 | | |
| 148 | A | 52 | Low | 52.4 | Low | 92 Ų | 92 | 137.7 Ų | 137.7 | 76% | 0.76 | 81% | 0.811 | S | S | * | * | P | Polyproline II helix | trans | -71.6 | 130.6 | 175.2 | 0 | 0 | 0 | 0 | 0 | 109.7 | V150 | A148-V150 PolarHBondContact O-N 2.82Š|
| 149 | P | 53.7 | Low | 51.4 | Low | 123 Ų | 123 | 134 Ų | 134 | 80% | 0.799 | 81% | 0.805 | S | S | * | * | P | Polyproline II helix | trans | -75.5 | 120.4 | 164 | 28.8 | -28.4 | 0 | 0 | 0 | 108.8 | P151 | P149-P151 WeakPolarHBondContact O-CD 3.28Š|
| 150 | V | 56.9 | Low | 50.7 | Low | 130 Ų | 130 | 130.7 Ų | 130.7 | 79% | 0.788 | 80% | 0.804 | S | S | * | * | P | Polyproline II helix | trans | -63.2 | 123 | 169.5 | 172 | 0 | 0 | 0 | 0 | 108.6 | A148 | A148-V150 PolarHBondContact O-N 2.82Š|
| 151 | P | 60.3 | Low | 49.6 | Very low | 104 Ų | 104 | 131.3 Ų | 131.3 | 68% | 0.675 | 80% | 0.797 | S | S | * | * | P | Polyproline II helix | trans | -77.1 | 141.7 | 165.7 | 30.7 | -30.8 | 0 | 0 | 0 | 109.5 | P149 A153 | P149-P151 WeakPolarHBondContact O-CD 3.28Å; P151-A153 PolarHBondContact O-N 3.14Å |
| 152 | P | 56.4 | Low | 49 | Very low | 132 Ų | 132 | 129.5 Ų | 129.5 | 86% | 0.857 | 79% | 0.791 | S | S | * | * | | | trans | -64.3 | 114.2 | 170.1 | 26 | -30.2 | 0 | 0 | 0 | 108.9 | | |
| 153 | A | 47.7 | Very low | 48.4 | Very low | 93 Ų | 93 | 127.8 Ų | 127.8 | 77% | 0.769 | 80% | 0.796 | S | S | * | * | | | trans | -71.9 | 125.6 | 164.1 | 0 | 0 | 0 | 0 | 0 | 109 | P151 | P151-A153 PolarHBondContact O-N 3.14Š|
| 154 | L | 46.6 | Very low | 47.3 | Very low | 174 Ų | 174 | 126.1 Ų | 126.1 | 91% | 0.911 | 80% | 0.801 | S | S | * | * | | | trans | -150.1 | 132 | 145.7 | -109.1 | 148.5 | 0 | 0 | 0 | 108.3 | | |
| 155 | A | 40.6 | Very low | 47.1 | Very low | 97 Ų | 97 | 119.6 Ų | 119.6 | 80% | 0.802 | 79% | 0.793 | S | S | * | * | | | trans | -42.6 | 136.3 | -171.1 | 0 | 0 | 0 | 0 | 0 | 113.4 | | |
| 156 | G | 40 | Very low | 46.9 | Very low | 67 Ų | 67 | 122.5 Ų | 122.5 | 69% | 0.691 | 80% | 0.8 | S | S | * | * | | | | 77.7 | 120.2 | 71.4 | 0 | 0 | 0 | 0 | 0 | 107.5 | | |
| 157 | T | 36.2 | Very low | 46.9 | Very low | 142 Ų | 142 | 123.7 Ų | 123.7 | 87% | 0.871 | 80% | 0.795 | S | S | * | * | | | cis | -170.3 | 149.7 | 43.4 | 47.9 | 0 | 0 | 0 | 0 | 105.7 | | |
| 158 | S | 39.3 | Very low | 47.3 | Very low | 101 Ų | 101 | 125.5 Ų | 125.5 | 71% | 0.706 | 79% | 0.794 | S | S | * | * | | | | -174.3 | 132.8 | 60.7 | 57.8 | 0 | 0 | 0 | 0 | 111.7 | | |
| 159 | T | 42.2 | Very low | 47.1 | Very low | 117 Ų | 117 | 130.5 Ų | 130.5 | 72% | 0.718 | 80% | 0.799 | S | S | * | * | | | trans | 34.3 | 122.4 | 144.2 | 58.4 | 0 | 0 | 0 | 0 | 121.6 | | |
| 160 | P | 43.3 | Very low | 47.3 | Very low | 133 Ų | 133 | 129.4 Ų | 129.4 | 86% | 0.864 | 80% | 0.8 | S | S | * | * | | | trans | -81.9 | 123.1 | 154.7 | 32.8 | -26.2 | 0 | 0 | 0 | 109.7 | E162 | P160-E162 PolarHBondContact O-N 3.1Š|
| 161 | T | 40.6 | Very low | 47.2 | Very low | 123 Ų | 123 | 129.5 Ų | 129.5 | 76% | 0.755 | 80% | 0.795 | S | S | * | * | | | trans | -72.6 | 120.3 | 172.6 | -61.7 | 0 | 0 | 0 | 0 | 110.4 | | |
| 162 | E | 45 | Very low | 46.7 | Very low | 169 Ų | 169 | 128.6 Ų | 128.6 | 79% | 0.79 | 79% | 0.789 | S | S | * | * | | | trans | 31.2 | 104 | 149 | -64 | -177.8 | 119.8 | 0 | 0 | 119.7 | P160 L164 | P160-E162 PolarHBondContact O-N 3.1Å; E162-L164 PolarHBondContact O-N 2.98Å |
| 163 | T | 46.1 | Very low | 46.5 | Very low | 137 Ų | 137 | 128 Ų | 128 | 84% | 0.84 | 79% | 0.785 | S | S | * | * | | | trans | -16.2 | 117.2 | 132 | 27.6 | 0 | 0 | 0 | 0 | 116.4 | | |
| 164 | L | 40.4 | Very low | 46.9 | Very low | 176 Ų | 176 | 129.9 Ų | 129.9 | 92% | 0.921 | 79% | 0.787 | S | S | * | * | | | trans | -122.9 | 124.3 | 137.7 | -91.6 | 172.8 | 0 | 0 | 0 | 108.5 | E162 | E162-L164 PolarHBondContact O-N 2.98Š|
| 165 | G | 52 | Low | 47.3 | Very low | 71 Ų | 71 | 128 Ų | 128 | 73% | 0.732 | 78% | 0.778 | S | S | * | * | | | trans | -65.4 | 128.9 | -169.1 | 0 | 0 | 0 | 0 | 0 | 113.1 | | |
| 166 | L | 47 | Very low | 47.9 | Very low | 169 Ų | 169 | 127.9 Ų | 127.9 | 89% | 0.885 | 78% | 0.776 | S | S | * | * | | | trans | -123.3 | 111.5 | 144.3 | -70.1 | 174.5 | 0 | 0 | 0 | 105.4 | | |
| 167 | E | 54.3 | Low | 48.6 | Very low | 174 Ų | 174 | 127.1 Ų | 127.1 | 81% | 0.813 | 77% | 0.768 | S | S | * | * | | | trans | -43.6 | 129.5 | 174 | -88.5 | -79.2 | 27.2 | 0 | 0 | 110.6 | F169 | E167-F169 PolarHBondContact O-N 3.38Š|
| 168 | P | 52.8 | Low | 49.5 | Very low | 111 Ų | 111 | 130 Ų | 130 | 72% | 0.721 | 77% | 0.768 | S | S | * | * | | | trans | -65.1 | 103.3 | 171.6 | -13.4 | 27.8 | 0 | 0 | 0 | 108 | A170 | P168-A170 PolarHBondContact O-N 3.48Š|
| 169 | F | 47.8 | Very low | 50.4 | Low | 198 Ų | 198 | 130.1 Ų | 130.1 | 87% | 0.868 | 78% | 0.776 | S | S | * | * | | | trans | -46.9 | 118.9 | 156.8 | -106.2 | -92.5 | 0 | 0 | 0 | 106.9 | E167 L171 | E167-F169 PolarHBondContact O-N 3.38Å; F169-L171 VanDerWaalsContact C-N 3.3Å; F169-L171 PolarHBondContact O-N 3.4Å |
| 170 | A | 57.3 | Low | 51.4 | Low | 99 Ų | 99 | 130.5 Ų | 130.5 | 82% | 0.818 | 77% | 0.77 | S | S | * | * | | | trans | -58.3 | 89.2 | -172.9 | 0 | 0 | 0 | 0 | 0 | 110.7 | P168 | P168-A170 PolarHBondContact O-N 3.48Š|
| 171 | L | 54.8 | Low | 52.5 | Low | 132 Ų | 132 | 135.2 Ų | 135.2 | 69% | 0.691 | 77% | 0.77 | S | S | * | * | | | trans | -69.5 | 141.9 | 166.5 | -70.4 | 177.3 | 0 | 0 | 0 | 108.1 | F169 | F169-L171 VanDerWaalsContact C-N 3.3Å; F169-L171 PolarHBondContact O-N 3.4Å |
| 172 | P | 49.8 | Very low | 53.9 | Low | 85 Ų | 85 | 136.3 Ų | 136.3 | 55% | 0.552 | 77% | 0.771 | S | S | * | * | | | trans | -49 | 143.2 | -178.3 | -28.1 | 33.8 | 0 | 0 | 0 | 112.4 | V174 L175 | P172-V174 PolarHBondContact O-N 3.29Å; P172-L175 PolarHBondContact O-N 3.17Å |
| 173 | P | 53.1 | Low | 55.3 | Low | 119 Ų | 119 | 133.4 Ų | 133.4 | 77% | 0.773 | 75% | 0.753 | S | S | * | * | G | 310 helix | trans | -54.7 | -11.1 | -174.9 | -25.5 | 32 | 0 | 0 | 0 | 116 | L175 A176 | P173-L175 PolarHBondContact O-N 3.12Å; P173-A176 PolarHBondContact O-N 2.9Å |
| 174 | V | 55.6 | Low | 56.9 | Low | 133 Ų | 133 | 129.8 Ų | 129.8 | 81% | 0.806 | 73% | 0.731 | S | S | * | * | G | 310 helix | trans | -66.4 | -18.5 | 179.7 | -171.6 | 0 | 0 | 0 | 0 | 112.5 | P172 | P172-V174 PolarHBondContact O-N 3.29Š|
| 175 | L | 54.2 | Low | 58.4 | Low | 136 Ų | 136 | 127.7 Ų | 127.7 | 71% | 0.712 | 72% | 0.72 | S | S | * | * | G | 310 helix | trans | -104.6 | -0.8 | 178.5 | -60.7 | -178.7 | 0 | 0 | 0 | 114.5 | P172 P173 G177 | P172-L175 PolarHBondContact O-N 3.17Å; P173-L175 PolarHBondContact O-N 3.12Å; L175-G177 PolarHBondContact O-N 3.32Å |
| 176 | A | 54 | Low | 58.9 | Low | 93 Ų | 93 | 131.5 Ų | 131.5 | 77% | 0.769 | 71% | 0.714 | S | S | * | * | | | trans | -85.8 | 46 | 177.4 | 0 | 0 | 0 | 0 | 0 | 111.8 | P173 | P173-A176 PolarHBondContact O-N 2.9Š|
| 177 | G | 54 | Low | 60 | Low | 51 Ų | 51 | 126.9 Ų | 126.9 | 53% | 0.526 | 69% | 0.688 | S | S | . | * | S | Bend | trans | -110.8 | 77.7 | -172.8 | 0 | 0 | 0 | 0 | 0 | 112.9 | L175 | L175-G177 PolarHBondContact O-N 3.32Š|
| 178 | K | 56.7 | Low | 60.7 | Low | 202 Ų | 202 | 121.9 Ų | 121.9 | 88% | 0.878 | 66% | 0.662 | S | S | * | * | | | trans | 62.3 | 148.9 | 173 | -56.5 | -174.2 | 176.2 | -174.6 | 0 | 113.7 | Q180 | K178-Q180 PolarHBondContact O-N 3.02Š|
| 179 | A | 57.9 | Low | 61.6 | Low | 105 Ų | 105 | 122.5 Ų | 122.5 | 87% | 0.868 | 66% | 0.658 | S | S | * | * | | | trans | -67.1 | 73 | 167.2 | 0 | 0 | 0 | 0 | 0 | 108.7 | R181 | A179-R181 VanDerWaalsContact C-N 3.3Å; A179-R181 PolarHBondContact O-N 3.33Å |
| 180 | Q | 63 | Low | 62.6 | Low | 125 Ų | 125 | 115.3 Ų | 115.3 | 58% | 0.584 | 63% | 0.628 | S | S | * | * | | | trans | -66 | 101 | 167.7 | -168.8 | 176.9 | 16.9 | 0 | 0 | 103.8 | K178 L182 | K178-Q180 PolarHBondContact O-N 3.02Å; Q180-L182 VanDerWaalsContact C-N 3.28Å; Q180-L182 PolarHBondContact O-N 3.35Å |
| 181 | R | 66.8 | Low | 63.1 | Low | 232 Ų | 232 | 117.3 Ų | 117.3 | 88% | 0.875 | 62% | 0.616 | S | S | * | * | | | trans | -47.8 | 103.9 | 170 | -70.4 | 176.3 | 66.2 | -159 | 1.2 | 105.4 | A179 R183 | A179-R181 VanDerWaalsContact C-N 3.3Å; A179-R181 PolarHBondContact O-N 3.33Å; R181-R183 PolarHBondContact O-N 3.33Å |
| 182 | L | 69.5 | Low | 63.9 | Low | 146 Ų | 146 | 116.3 Ų | 116.3 | 76% | 0.764 | 62% | 0.619 | S | S | * | * | | | trans | -59.3 | 113.7 | -176.8 | -69.8 | 171.5 | 0 | 0 | 0 | 104.6 | Q180 | Q180-L182 VanDerWaalsContact C-N 3.28Å; Q180-L182 PolarHBondContact O-N 3.35Å |
| 183 | R | 73.6 | Confident | 64.9 | Low | 108 Ų | 108 | 116.5 Ų | 116.5 | 41% | 0.408 | 62% | 0.615 | S | S | . | * | | | trans | -62.6 | 146 | 176.2 | -55.8 | -170.2 | -151.8 | 157.3 | 1.5 | 106.5 | R181 L185 Q187 Y188 | R181-R183 PolarHBondContact O-N 3.33Å; R183-L185 PolarHBondContact O-N 2.92Å; R183-Q187 HydrophobicContact CB-CB 3.96Å; R183-Y188 HydrophobicContact CB-CD2 4.35Å; R183-Y188 HydrophobicContact CB-CE1 4.48Å; R183-Y188 HydrophobicContact CB-CE2 3.7Å; R183-Y188 PolarHBondContact N-OH 3.32Å; R183-Y188 WeakPolarHBondContact O-CD2 3.37Å; R183-Y188 WeakPolarHBondContact O-CE2 3.49Å |
| 184 | P | 80.5 | Confident | 66 | Low | 61 Ų | 61 | 114.8 Ų | 114.8 | 40% | 0.396 | 60% | 0.604 | S | S | . | * | | | trans | -50.9 | 141.2 | 173.4 | -30.2 | 38 | 0 | 0 | 0 | 110.8 | Y186 Q187 | P184-Y186 HydrophobicContact CB-CD1 3.46Å; P184-Y186 VanDerWaalsContact CB-CD1 3.46Å; P184-Y186 HydrophobicContact CB-CE1 3.09Å; P184-Y186 HydrophobicContact CB-CE2 4.5Å; P184-Y186 HydrophobicContact CB-CG 4.31Å; P184-Y186 HydrophobicContact CG-CE1 3.76Å; P184-Y186 PolarHBondContact O-N 2.89Å; P184-Q187 WeakPolarHBondContact O-CB 3.27Å; P184-Q187 PolarHBondContact O-N 3.4Å |
| 185 | L | 71.4 | Confident | 66.9 | Low | 132 Ų | 132 | 116.2 Ų | 116.2 | 69% | 0.691 | 60% | 0.602 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -49.8 | -32.8 | -170.7 | -176.2 | 62 | 0 | 0 | 0 | 113.4 | R183 Q187 Y188 I189 | R183-L185 PolarHBondContact O-N 2.92Å; L185-Q187 PolarHBondContact O-N 2.85Å; L185-Y188 WeakPolarHBondContact O-CA 3.48Å; L185-Y188 WeakPolarHBondContact O-CB 3.4Å; L185-Y188 PolarHBondContact O-N 3Å; L185-I189 HydrophobicContact CG-CD1 4.39Å; L185-I189 HydrophobicContact CG-CG1 4.4Å; L185-I189 WeakPolarHBondContact O-CG1 3.3Å; L185-I189 PolarHBondContact O-N 3.32Å; L185-I189 VanDerWaalsContact O-N 3.09Å |
| 186 | Y | 63.4 | Low | 67.8 | Low | 150 Ų | 150 | 115.4 Ų | 115.4 | 59% | 0.588 | 60% | 0.598 | S | S | * | * | H | α-helix | trans | -57.4 | -30.9 | 176.2 | 67.6 | -106 | 0 | 0 | 0 | 113.9 | P184 Y188 | P184-Y186 HydrophobicContact CB-CD1 3.46Å; P184-Y186 VanDerWaalsContact CB-CD1 3.46Å; P184-Y186 HydrophobicContact CB-CE1 3.09Å; P184-Y186 HydrophobicContact CB-CE2 4.5Å; P184-Y186 HydrophobicContact CB-CG 4.31Å; P184-Y186 HydrophobicContact CG-CE1 3.76Å; P184-Y186 PolarHBondContact O-N 2.89Å; Y186-Y188 VanDerWaalsContact C-N 3.3Å |
| 187 | Q | 70.1 | Confident | 68.5 | Low | 72 Ų | 72 | 114.8 Ų | 114.8 | 34% | 0.336 | 58% | 0.581 | S | S | . | * | H | α-helix | trans | -77 | -17.4 | 175 | -84.7 | 170 | 54.5 | 0 | 0 | 113.2 | R183 P184 L185 | R183-Q187 HydrophobicContact CB-CB 3.96Å; P184-Q187 WeakPolarHBondContact O-CB 3.27Å; P184-Q187 PolarHBondContact O-N 3.4Å; L185-Q187 PolarHBondContact O-N 2.85Å |
| 188 | Y | 69.4 | Low | 69.4 | Low | 70 Ų | 70 | 119.5 Ų | 119.5 | 28% | 0.275 | 59% | 0.59 | S | S | . | * | H | α-helix | trans | -91.8 | -30.9 | 178.2 | -69.2 | -63.5 | 0 | 0 | 0 | 112.9 | R183 L185 Y186 N190 Y191 | R183-Y188 HydrophobicContact CB-CD2 4.35Å; R183-Y188 HydrophobicContact CB-CE1 4.48Å; R183-Y188 HydrophobicContact CB-CE2 3.7Å; R183-Y188 PolarHBondContact N-OH 3.32Å; R183-Y188 WeakPolarHBondContact O-CD2 3.37Å; R183-Y188 WeakPolarHBondContact O-CE2 3.49Å; L185-Y188 WeakPolarHBondContact O-CA 3.48Å; L185-Y188 WeakPolarHBondContact O-CB 3.4Å; L185-Y188 PolarHBondContact O-N 3Å; Y186-Y188 VanDerWaalsContact C-N 3.3Å; Y188-N190 PolarHBondContact O-N 3.14Å; Y188-N190 VanDerWaalsContact O-N 3.15Å; Y188-Y191 WeakPolarHBondContact O-CB 3.36Å; Y188-Y191 PolarHBondContact O-N 3.46Å; Y188-Y191 VanDerWaalsContact O-N 3.1Å |
| 189 | I | 71.1 | Confident | 69.8 | Low | 124 Ų | 124 | 114.4 Ų | 114.4 | 64% | 0.636 | 59% | 0.585 | S | S | * | * | H | α-helix | trans | -55.2 | -35.3 | 177.9 | -65.9 | 169.7 | 0 | 0 | 0 | 110.7 | L185 | L185-I189 HydrophobicContact CG-CD1 4.39Å; L185-I189 HydrophobicContact CG-CG1 4.4Å; L185-I189 WeakPolarHBondContact O-CG1 3.3Å; L185-I189 PolarHBondContact O-N 3.32Å; L185-I189 VanDerWaalsContact O-N 3.09Å |
| 190 | N | 67.8 | Low | 70.1 | Confident | 46 Ų | 46 | 113 Ų | 113 | 25% | 0.246 | 58% | 0.581 | C | S | . | * | T | Hydrogen-bonded Turn | trans | -113.6 | 18.5 | -179.9 | -60.3 | -29.8 | 0 | 0 | 0 | 113.4 | Y188 C192 N193 N197 | Y188-N190 PolarHBondContact O-N 3.14Å; Y188-N190 VanDerWaalsContact O-N 3.15Å; N190-C192 PolarHBondContact O-N 3.47Å; N190-N193 CarbonylContact O-C 3.12Å; N190-N193 PolarHBondContact O-N 2.88Å; N190-N197 WeakPolarHBondContact CB-ND2 3.48Å; N190-N197 WeakPolarHBondContact CB-OD1 3.24Å; N190-N197 PolarHBondContact ND2-OD1 3.13Å; N190-N197 PolarHBondContact O-ND2 2.98Å |
| 191 | Y | 68.6 | Low | 70 | Confident | 142 Ų | 142 | 115.4 Ų | 115.4 | 56% | 0.557 | 60% | 0.597 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -61.9 | -32.3 | -177.4 | -176.3 | -99.4 | 0 | 0 | 0 | 112.5 | Y188 | Y188-Y191 WeakPolarHBondContact O-CB 3.36Å; Y188-Y191 PolarHBondContact O-N 3.46Å; Y188-Y191 VanDerWaalsContact O-N 3.1Å |
| 192 | C | 70.7 | Confident | 69.7 | Low | 111 Ų | 111 | 107.6 Ų | 107.6 | 75% | 0.75 | 59% | 0.589 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -86.2 | -6.9 | 175.1 | -59.7 | 0 | 0 | 0 | 0 | 113.4 | N190 | N190-C192 PolarHBondContact O-N 3.47Š|
| 193 | N | 72.6 | Confident | 68.8 | Low | 88 Ų | 88 | 106.8 Ų | 106.8 | 47% | 0.471 | 59% | 0.586 | S | S | . | * | | | trans | -133.3 | 72.1 | -179.1 | -81.2 | -21.6 | 0 | 0 | 0 | 110.2 | N190 E195 L196 N197 | N190-N193 CarbonylContact O-C 3.12Å; N190-N193 PolarHBondContact O-N 2.88Å; N193-E195 PolarHBondContact O-N 3.44Å; N193-L196 HydrophobicContact CB-CB 4.34Å; N193-L196 HydrophobicContact CB-CD1 3.76Å; N193-L196 HydrophobicContact CB-CG 3.98Å; N193-L196 PolarHBondContact O-N 2.96Å; N193-N197 PolarHBondContact O-ND2 2.87Å |
| 194 | P | 74.9 | Confident | 67.9 | Low | 84 Ų | 84 | 113.4 Ų | 113.4 | 55% | 0.545 | 61% | 0.611 | S | S | . | * | G | 310 helix | trans | -60.4 | -30.1 | 179 | 25 | -33.8 | 0 | 0 | 0 | 112.5 | L196 N197 | P194-L196 VanDerWaalsContact C-N 3.28Å; P194-L196 PolarHBondContact O-N 2.65Å; P194-N197 WeakPolarHBondContact CA-ND2 3.45Å; P194-N197 WeakPolarHBondContact O-CB 3.42Å; P194-N197 PolarHBondContact O-N 3.11Å; P194-N197 VanDerWaalsContact O-N 3.08Å |
| 195 | E | 75.5 | Confident | 66.4 | Low | 163 Ų | 163 | 117.5 Ų | 117.5 | 76% | 0.762 | 62% | 0.624 | S | S | * | * | G | 310 helix | trans | -63.9 | -31.6 | -179.7 | -61.1 | 177.6 | 171.2 | 0 | 0 | 112.5 | N193 N197 Q198 | N193-E195 PolarHBondContact O-N 3.44Å; E195-N197 PolarHBondContact O-N 3.18Å; E195-Q198 PolarHBondContact O-N 3.26Å |
| 196 | L | 71.9 | Confident | 65.3 | Low | 119 Ų | 119 | 116.6 Ų | 116.6 | 62% | 0.623 | 63% | 0.626 | S | S | * | * | G | 310 helix | trans | -75.6 | -11.9 | 176.6 | -63.1 | -179.2 | 0 | 0 | 0 | 113.3 | N193 P194 | N193-L196 HydrophobicContact CB-CB 4.34Å; N193-L196 HydrophobicContact CB-CD1 3.76Å; N193-L196 HydrophobicContact CB-CG 3.98Å; N193-L196 PolarHBondContact O-N 2.96Å; P194-L196 VanDerWaalsContact C-N 3.28Å; P194-L196 PolarHBondContact O-N 2.65Å |
| 197 | N | 69.3 | Low | 64.6 | Low | 80 Ų | 80 | 118.7 Ų | 118.7 | 43% | 0.428 | 64% | 0.642 | S | S | . | * | G | 310 helix | trans | -87.4 | -12.9 | 173.6 | -56.9 | -62.1 | 0 | 0 | 0 | 112.3 | N190 N193 P194 E195 A199 | N190-N197 WeakPolarHBondContact CB-ND2 3.48Å; N190-N197 WeakPolarHBondContact CB-OD1 3.24Å; N190-N197 PolarHBondContact ND2-OD1 3.13Å; N190-N197 PolarHBondContact O-ND2 2.98Å; N193-N197 PolarHBondContact O-ND2 2.87Å; P194-N197 WeakPolarHBondContact CA-ND2 3.45Å; P194-N197 WeakPolarHBondContact O-CB 3.42Å; P194-N197 PolarHBondContact O-N 3.11Å; P194-N197 VanDerWaalsContact O-N 3.08Å; E195-N197 PolarHBondContact O-N 3.18Å; N197-A199 PolarHBondContact O-N 3.37Å |
| 198 | Q | 73.4 | Confident | 63.7 | Low | 150 Ų | 150 | 121.7 Ų | 121.7 | 70% | 0.701 | 66% | 0.664 | S | S | * | * | S | Bend | trans | -80.8 | 103.5 | 171.9 | -53.8 | -65.2 | 57.9 | 0 | 0 | 106.5 | E195 G200 | E195-Q198 PolarHBondContact O-N 3.26Å; Q198-G200 PolarHBondContact O-N 3.29Å; Q198-G200 VanDerWaalsContact O-N 3.13Å |
| 199 | A | 65.3 | Low | 62.5 | Low | 95 Ų | 95 | 125.6 Ų | 125.6 | 79% | 0.785 | 69% | 0.685 | S | S | * | * | | | trans | -55 | 121.7 | 163.2 | 0 | 0 | 0 | 0 | 0 | 106.5 | N197 D201 | N197-A199 PolarHBondContact O-N 3.37Å; A199-D201 PolarHBondContact O-N 3.44Å |
| 200 | G | 62.4 | Low | 61.3 | Low | 75 Ų | 75 | 125 Ų | 125 | 77% | 0.773 | 69% | 0.69 | S | S | * | * | | | trans | -50.5 | 105.1 | -172.8 | 0 | 0 | 0 | 0 | 0 | 111.4 | Q198 G202 | Q198-G200 PolarHBondContact O-N 3.29Å; Q198-G200 VanDerWaalsContact O-N 3.13Å; G200-G202 PolarHBondContact O-N 3.08Å |
| 201 | D | 62.3 | Low | 59.8 | Low | 175 Ų | 175 | 131.6 Ų | 131.6 | 94% | 0.936 | 72% | 0.719 | S | S | * | * | | | trans | -77.2 | 81.4 | 167.5 | -160 | -68.8 | 0 | 0 | 0 | 105.9 | A199 | A199-D201 PolarHBondContact O-N 3.44Š|
| 202 | G | 59.7 | Low | 58.9 | Low | 68 Ų | 68 | 130 Ų | 130 | 70% | 0.701 | 73% | 0.728 | S | S | * | * | | | trans | -177.4 | 29 | -165.4 | 0 | 0 | 0 | 0 | 0 | 115.2 | G200 | G200-G202 PolarHBondContact O-N 3.08Š|
| 203 | D | 49.8 | Very low | 57.5 | Low | 129 Ų | 129 | 132.8 Ų | 132.8 | 69% | 0.69 | 73% | 0.73 | S | S | * | * | | | trans | -153.6 | 72.4 | 150.6 | -155.5 | 12.4 | 0 | 0 | 0 | 109.6 | E205 | D203-E205 PolarHBondContact O-N 3.37Å; D203-E205 VanDerWaalsContact O-N 3.11Å |
| 204 | R | 56.5 | Low | 56 | Low | 247 Ų | 247 | 136 Ų | 136 | 93% | 0.932 | 75% | 0.747 | S | S | * | * | | | trans | -78.4 | 85.6 | 164.4 | -163.5 | 176.8 | -172.4 | 173.1 | 0.9 | 105.7 | | |
| 205 | E | 47.9 | Very low | 54 | Low | 147 Ų | 147 | 136.4 Ų | 136.4 | 69% | 0.687 | 76% | 0.758 | S | S | * | * | | | trans | -53.5 | 140.2 | 168 | -65.8 | -142.2 | 127.2 | 0 | 0 | 109 | D203 E207 | D203-E205 PolarHBondContact O-N 3.37Å; D203-E205 VanDerWaalsContact O-N 3.11Å; E205-E207 PolarHBondContact O-N 3.23Å |
| 206 | P | 49.6 | Very low | 52.5 | Low | 113 Ų | 113 | 137 Ų | 137 | 73% | 0.734 | 77% | 0.765 | S | S | * | * | | | trans | -61.8 | 125.9 | 177.2 | 25.7 | -32.2 | 0 | 0 | 0 | 109.5 | V208 | P206-V208 PolarHBondContact O-N 3.25Š|
| 207 | E | 48.7 | Very low | 50.6 | Low | 195 Ų | 195 | 135.7 Ų | 135.7 | 91% | 0.911 | 77% | 0.771 | S | S | * | * | | | trans | -40.2 | 97.9 | 165.9 | -163.8 | 172.4 | -159.3 | 0 | 0 | 110.2 | E205 E209 | E205-E207 PolarHBondContact O-N 3.23Å; E207-E209 PolarHBondContact O-N 2.94Å |
| 208 | V | 50 | Low | 49.6 | Very low | 134 Ų | 134 | 138 Ų | 138 | 81% | 0.812 | 79% | 0.791 | S | S | * | * | | | trans | -78.2 | 107.7 | 168.1 | 173.6 | 0 | 0 | 0 | 0 | 106.5 | P206 | P206-V208 PolarHBondContact O-N 3.25Š|
| 209 | E | 43.7 | Very low | 48.6 | Very low | 152 Ų | 152 | 139.5 Ų | 139.5 | 71% | 0.71 | 80% | 0.798 | S | S | * | * | | | trans | -44 | 133.9 | 164.1 | -102.9 | -149 | 137.9 | 0 | 0 | 110.9 | E207 E211 | E207-E209 PolarHBondContact O-N 2.94Å; E209-E211 VanDerWaalsContact C-N 3.34Å; E209-E211 PolarHBondContact O-N 3.25Å |
| 210 | P | 46.6 | Very low | 48 | Very low | 112 Ų | 112 | 143.2 Ų | 143.2 | 73% | 0.727 | 80% | 0.799 | S | S | * | * | | | trans | -74 | 94.3 | 160.5 | 30 | -29.7 | 0 | 0 | 0 | 108.5 | S212 | P210-S212 PolarHBondContact O-N 3.1Š|
| 211 | E | 36.9 | Very low | 47.1 | Very low | 185 Ų | 185 | 144.7 Ų | 144.7 | 86% | 0.864 | 80% | 0.804 | S | S | * | * | | | trans | -51.7 | 107.6 | 161.7 | -79 | -176.6 | 133.3 | 0 | 0 | 108.5 | E209 | E209-E211 VanDerWaalsContact C-N 3.34Å; E209-E211 PolarHBondContact O-N 3.25Å |
| 212 | S | 48.7 | Very low | 46.6 | Very low | 108 Ų | 108 | 139.4 Ų | 139.4 | 76% | 0.755 | 79% | 0.791 | S | S | * | * | | | trans | -81.6 | 116.4 | 166.2 | -60.1 | 0 | 0 | 0 | 0 | 107.2 | P210 | P210-S212 PolarHBondContact O-N 3.1Š|
| 213 | E | 41.1 | Very low | 46.3 | Very low | 169 Ų | 169 | 142.9 Ų | 142.9 | 79% | 0.79 | 80% | 0.798 | S | S | * | * | | | trans | -176.3 | 130.1 | 144.1 | -109.8 | -177.4 | 153 | 0 | 0 | 114.5 | | |
| 214 | L | 41.5 | Very low | 46.6 | Very low | 155 Ų | 155 | 144.5 Ų | 144.5 | 81% | 0.812 | 80% | 0.802 | S | S | * | * | | | trans | 79.5 | 132.8 | 146.9 | -55.5 | 166.6 | 0 | 0 | 0 | 117.4 | | |
| 215 | A | 33.2 | Very low | 46.4 | Very low | 94 Ų | 94 | 140.6 Ų | 140.6 | 78% | 0.777 | 79% | 0.794 | S | S | * | * | | | cis | -160.7 | 162 | 19.3 | 0 | 0 | 0 | 0 | 0 | 111.3 | | |
| 216 | L | 43.1 | Very low | 46.8 | Very low | 174 Ų | 174 | 140.6 Ų | 140.6 | 91% | 0.911 | 80% | 0.798 | S | S | * | * | | | trans | -59.2 | 136.7 | 176.7 | -73.3 | 87.6 | 0 | 0 | 0 | 114 | | |
| 217 | A | 33.7 | Very low | 47.1 | Very low | 92 Ų | 92 | 142.8 Ų | 142.8 | 76% | 0.76 | 80% | 0.798 | S | S | * | * | | | trans | -165.2 | 119.9 | 136.7 | 0 | 0 | 0 | 0 | 0 | 110.6 | | |
| 218 | P | 48 | Very low | 47.3 | Very low | 130 Ų | 130 | 141 Ų | 141 | 84% | 0.844 | 79% | 0.794 | S | S | * | * | | | trans | -95.2 | 114.2 | 162.6 | 32.1 | -22.3 | 0 | 0 | 0 | 108.9 | | |
| 219 | E | 51.8 | Low | 47.4 | Very low | 180 Ų | 180 | 141.5 Ų | 141.5 | 84% | 0.841 | 79% | 0.787 | S | S | * | * | | | trans | -132.8 | 105.4 | 170.9 | -161.9 | -170.5 | 137.2 | 0 | 0 | 110.2 | | |
| 220 | E | 51.8 | Low | 47.8 | Very low | 174 Ų | 174 | 138.1 Ų | 138.1 | 81% | 0.813 | 79% | 0.786 | S | S | * | * | | | trans | 44.2 | 88.3 | 145 | -57.5 | -63.1 | 131.5 | 0 | 0 | 119 | | |
| 221 | A | 44.2 | Very low | 48.2 | Very low | 106 Ų | 106 | 140.3 Ų | 140.3 | 88% | 0.876 | 79% | 0.79 | S | S | * | * | | | trans | -145 | 57.3 | 147 | 0 | 0 | 0 | 0 | 0 | 109.5 | V223 | A221-V223 PolarHBondContact O-N 3.15Š|
| 222 | G | 52.6 | Low | 48.9 | Very low | 64 Ų | 64 | 138.4 Ų | 138.4 | 66% | 0.66 | 79% | 0.786 | S | S | * | * | | | trans | -86.4 | 90.9 | 175.8 | 0 | 0 | 0 | 0 | 0 | 111.2 | | |
| 223 | V | 53.8 | Low | 48.8 | Very low | 140 Ų | 140 | 138.6 Ų | 138.6 | 85% | 0.848 | 78% | 0.784 | S | S | * | * | S | Bend | trans | 176.7 | 79.7 | 138.6 | -99 | 0 | 0 | 0 | 0 | 109.6 | A221 | A221-V223 PolarHBondContact O-N 3.15Š|
| 224 | E | 55 | Low | 49.1 | Very low | 164 Ų | 164 | 137.3 Ų | 137.3 | 77% | 0.766 | 79% | 0.787 | S | S | * | * | S | Bend | trans | -170.1 | -7.4 | 152.2 | -102.2 | -124.6 | 99.3 | 0 | 0 | 112.9 | | |
| 225 | Q | 51.8 | Low | 49.2 | Very low | 165 Ų | 165 | 136.1 Ų | 136.1 | 77% | 0.771 | 79% | 0.787 | S | S | * | * | G | 310 helix | trans | -83.9 | -13.4 | 175.6 | -87.5 | -165.3 | 49.5 | 0 | 0 | 115.3 | Q227 | Q225-Q227 VanDerWaalsContact C-N 3.33Å; Q225-Q227 PolarHBondContact O-N 3.49Å |
| 226 | L | 56.5 | Low | 49.9 | Very low | 146 Ų | 146 | 134.9 Ų | 134.9 | 76% | 0.764 | 78% | 0.783 | S | S | * | * | G | 310 helix | trans | -83.3 | -5.7 | -177 | -71.5 | 172.2 | 0 | 0 | 0 | 114.2 | | |
| 227 | Q | 57.3 | Low | 50.4 | Low | 160 Ų | 160 | 136.1 Ų | 136.1 | 75% | 0.748 | 78% | 0.784 | S | S | * | * | G | 310 helix | trans | -91.9 | -15 | -178.8 | -156.2 | 141.8 | -14.2 | 0 | 0 | 113.6 | Q225 | Q225-Q227 VanDerWaalsContact C-N 3.33Å; Q225-Q227 PolarHBondContact O-N 3.49Å |
| 228 | L | 51.2 | Low | 51.2 | Low | 157 Ų | 157 | 140.2 Ų | 140.2 | 82% | 0.822 | 79% | 0.792 | S | S | * | * | S | Bend | trans | -92.6 | -14.3 | 177 | -89.3 | 153.3 | 0 | 0 | 0 | 113.9 | | |
| 229 | Q | 52.8 | Low | 51 | Low | 144 Ų | 144 | 137.4 Ų | 137.4 | 67% | 0.673 | 79% | 0.787 | S | S | * | * | G | 310 helix | trans | -86.5 | -6.5 | 177.4 | -78.2 | 179 | 38.7 | 0 | 0 | 114.1 | | |
| 230 | A | 52.3 | Low | 51.2 | Low | 82 Ų | 82 | 138.1 Ų | 138.1 | 68% | 0.678 | 80% | 0.796 | S | S | * | * | G | 310 helix | trans | -88.8 | 4.3 | -174.9 | 0 | 0 | 0 | 0 | 0 | 115.2 | | |
| 231 | L | 54.2 | Low | 51 | Low | 157 Ų | 157 | 132.9 Ų | 132.9 | 82% | 0.822 | 79% | 0.788 | S | S | * | * | G | 310 helix | trans | -117.6 | 16 | -177.6 | -70.5 | 177.9 | 0 | 0 | 0 | 114.9 | | |
| 232 | L | 52.8 | Low | 51.5 | Low | 146 Ų | 146 | 137 Ų | 137 | 76% | 0.764 | 80% | 0.795 | S | S | * | * | | | trans | -101.8 | 120.9 | 171.8 | -135.5 | 93.5 | 0 | 0 | 0 | 110.8 | V234 | L232-V234 PolarHBondContact O-N 3.03Å; L232-V234 VanDerWaalsContact O-N 3.16Å |
| 233 | P | 46.2 | Very low | 51.4 | Low | 112 Ų | 112 | 138.3 Ų | 138.3 | 73% | 0.727 | 80% | 0.799 | S | S | * | * | | | trans | -69.5 | 113.1 | 166.8 | 26.3 | -28.7 | 0 | 0 | 0 | 109 | T235 | P233-T235 PolarHBondContact O-N 2.94Š|
| 234 | V | 47.8 | Very low | 51.5 | Low | 141 Ų | 141 | 139.6 Ų | 139.6 | 86% | 0.855 | 80% | 0.798 | S | S | * | * | | | trans | -69.6 | 102.7 | 164.6 | 170.4 | 0 | 0 | 0 | 0 | 107.8 | L232 | L232-V234 PolarHBondContact O-N 3.03Å; L232-V234 VanDerWaalsContact O-N 3.16Å |
| 235 | T | 43.2 | Very low | 51.5 | Low | 130 Ų | 130 | 137.3 Ų | 137.3 | 80% | 0.798 | 80% | 0.797 | S | S | * | * | | | trans | -143.2 | 103.4 | 163.7 | -58.5 | 0 | 0 | 0 | 0 | 110.2 | P233 | P233-T235 PolarHBondContact O-N 2.94Š|
| 236 | G | 48.3 | Very low | 51.1 | Low | 68 Ų | 68 | 135.1 Ų | 135.1 | 70% | 0.701 | 80% | 0.799 | S | S | * | * | | | | 77 | 110 | 128.8 | 0 | 0 | 0 | 0 | 0 | 120.5 | | |
| 237 | E | 53.1 | Low | 51 | Low | 200 Ų | 200 | 133.7 Ų | 133.7 | 94% | 0.935 | 80% | 0.798 | S | S | * | * | | | trans | 90.4 | 125.7 | 137.1 | -146.3 | 178.8 | 138.7 | 0 | 0 | 119.5 | | |
| 238 | L | 49.9 | Very low | 50.5 | Low | 178 Ų | 178 | 133.3 Ų | 133.3 | 93% | 0.932 | 80% | 0.801 | S | S | * | * | | | trans | -74.1 | 121.5 | -177.5 | -68.8 | 160.5 | 0 | 0 | 0 | 111.2 | | |
| 239 | G | 44 | Very low | 50.2 | Low | 71 Ų | 71 | 132.4 Ų | 132.4 | 73% | 0.732 | 80% | 0.802 | S | S | * | * | | | trans | -143.5 | 101.6 | 166 | 0 | 0 | 0 | 0 | 0 | 110.6 | G241 | G239-G241 PolarHBondContact O-N 2.82Š|
| 240 | L | 56.4 | Low | 50 | Low | 195 Ų | 195 | 133.9 Ų | 133.9 | 100% | 1.021 | 81% | 0.814 | S | S | * | * | | | trans | -58.8 | 104.6 | 168.6 | -85.5 | 149 | 0 | 0 | 0 | 109.6 | | |
| 241 | G | 46.7 | Very low | 49.9 | Very low | 64 Ų | 64 | 133.7 Ų | 133.7 | 66% | 0.66 | 81% | 0.813 | S | S | * | * | | | trans | -159.6 | 97.1 | 174.5 | 0 | 0 | 0 | 0 | 0 | 110.5 | G239 A243 | G239-G241 PolarHBondContact O-N 2.82Å; G241-A243 PolarHBondContact O-N 3.47Å |
| 242 | L | 55.5 | Low | 49.3 | Very low | 193 Ų | 193 | 131.6 Ų | 131.6 | 100% | 1.01 | 81% | 0.808 | S | S | * | * | | | trans | -57.3 | 101.2 | 168.5 | -72.9 | 163.6 | 0 | 0 | 0 | 109.3 | | |
| 243 | A | 49.8 | Very low | 48.7 | Very low | 91 Ų | 91 | 131.3 Ų | 131.3 | 75% | 0.752 | 81% | 0.807 | S | S | * | * | | | trans | -126.8 | 107 | 169.2 | 0 | 0 | 0 | 0 | 0 | 108.5 | G241 | G241-A243 PolarHBondContact O-N 3.47Š|
| 244 | M | 56.7 | Low | 48.3 | Very low | 168 Ų | 168 | 131.8 Ų | 131.8 | 83% | 0.828 | 81% | 0.808 | S | S | * | * | P | Polyproline II helix | trans | -60.9 | 138.3 | 172.1 | -69.3 | -65.2 | -65.9 | 0 | 0 | 110 | C246 | M244-C246 PolarHBondContact O-N 3.36Š|
| 245 | P | 54.9 | Low | 48.3 | Very low | 116 Ų | 116 | 132.2 Ų | 132.2 | 75% | 0.753 | 80% | 0.8 | S | S | * | * | P | Polyproline II helix | trans | -70.1 | 116.2 | 173.1 | 27.6 | -30.4 | 0 | 0 | 0 | 109.3 | | |
| 246 | C | 44.2 | Very low | 48.1 | Very low | 118 Ų | 118 | 132.5 Ų | 132.5 | 80% | 0.797 | 80% | 0.802 | S | S | * | * | P | Polyproline II helix | trans | -61.1 | 130.1 | 170.2 | -70.3 | 0 | 0 | 0 | 0 | 110.2 | M244 N248 | M244-C246 PolarHBondContact O-N 3.36Å; C246-N248 PolarHBondContact O-N 3.42Å |
| 247 | P | 54.3 | Low | 48.2 | Very low | 117 Ų | 117 | 136.7 Ų | 136.7 | 76% | 0.76 | 81% | 0.808 | S | S | * | * | | | trans | -88.1 | 93.6 | 169.7 | 33 | -25.6 | 0 | 0 | 0 | 107.4 | | |
| 248 | N | 46.8 | Very low | 47.6 | Very low | 151 Ų | 151 | 132.8 Ų | 132.8 | 81% | 0.807 | 80% | 0.799 | S | S | * | * | | | trans | -161.8 | 79.7 | 166.4 | -88.4 | -37.5 | 0 | 0 | 0 | 111.3 | C246 | C246-N248 PolarHBondContact O-N 3.42Š|
| 249 | T | 45.4 | Very low | 47.4 | Very low | 138 Ų | 138 | 130.1 Ų | 130.1 | 85% | 0.847 | 79% | 0.793 | S | S | * | * | | | trans | -157.9 | 91.6 | 135.9 | -27.6 | 0 | 0 | 0 | 0 | 108.1 | A251 | T249-A251 VanDerWaalsContact C-N 3.3Å; T249-A251 PolarHBondContact O-N 3.29Å |
| 250 | L | 48.4 | Very low | 47.3 | Very low | 176 Ų | 176 | 135.5 Ų | 135.5 | 92% | 0.921 | 80% | 0.804 | S | S | * | * | | | trans | -63.1 | 99.3 | 159.5 | -77.6 | 166.1 | 0 | 0 | 0 | 106.7 | | |
| 251 | A | 48.9 | Very low | 46.5 | Very low | 78 Ų | 78 | 129.6 Ų | 129.6 | 65% | 0.645 | 79% | 0.79 | S | S | * | * | | | trans | -70.6 | 126.8 | 160.4 | 0 | 0 | 0 | 0 | 0 | 107.2 | T249 L253 | T249-A251 VanDerWaalsContact C-N 3.3Å; T249-A251 PolarHBondContact O-N 3.29Å; A251-L253 PolarHBondContact O-N 3.25Å; A251-L253 VanDerWaalsContact O-N 3.15Å |
| 252 | P | 42.4 | Very low | 46.5 | Very low | 113 Ų | 113 | 134.2 Ų | 134.2 | 73% | 0.734 | 79% | 0.794 | S | S | * | * | | | trans | -62.6 | 119.4 | 170.9 | -14.3 | 27.9 | 0 | 0 | 0 | 107.8 | T254 | P252-T254 VanDerWaalsContact C-N 3.28Å; P252-T254 PolarHBondContact O-N 2.91Å; P252-T254 PolarHBondContact O-OG1 3.22Å |
| 253 | L | 39.3 | Very low | 46 | Very low | 140 Ų | 140 | 132.5 Ų | 132.5 | 73% | 0.733 | 78% | 0.781 | S | S | * | * | | | trans | -71.3 | 91.1 | 170.8 | -177.9 | 61.3 | 0 | 0 | 0 | 107.9 | A251 H255 | A251-L253 PolarHBondContact O-N 3.25Å; A251-L253 VanDerWaalsContact O-N 3.15Å; L253-H255 WeakPolarHBondContact CD2-NE2 3.42Å; L253-H255 WeakPolarHBondContact CG-NE2 3.38Å; L253-H255 PolarHBondContact O-N 2.88Å |
| 254 | T | 37.4 | Very low | 45.8 | Very low | 121 Ų | 121 | 134.1 Ų | 134.1 | 74% | 0.742 | 78% | 0.781 | S | S | * | * | | | trans | -69.7 | 90.1 | 176.1 | -23.9 | 0 | 0 | 0 | 0 | 108.8 | P252 T256 | P252-T254 VanDerWaalsContact C-N 3.28Å; P252-T254 PolarHBondContact O-N 2.91Å; P252-T254 PolarHBondContact O-OG1 3.22Å; T254-T256 PolarHBondContact O-N 2.76Å |
| 255 | H | 49.5 | Very low | 45.5 | Very low | 151 Ų | 151 | 129.5 Ų | 129.5 | 70% | 0.699 | 78% | 0.776 | S | S | * | * | | | trans | -78.9 | 103.9 | 162.7 | -74.9 | -66 | 0 | 0 | 0 | 108.9 | L253 L257 | L253-H255 WeakPolarHBondContact CD2-NE2 3.42Å; L253-H255 WeakPolarHBondContact CG-NE2 3.38Å; L253-H255 PolarHBondContact O-N 2.88Å; H255-L257 PolarHBondContact O-N 3.35Å |
| 256 | T | 38.8 | Very low | 45 | Very low | 135 Ų | 135 | 133.5 Ų | 133.5 | 83% | 0.828 | 79% | 0.785 | S | S | * | * | | | trans | -57.8 | 114.1 | 167.5 | 9.2 | 0 | 0 | 0 | 0 | 110.6 | T254 | T254-T256 PolarHBondContact O-N 2.76Š|
| 257 | L | 50.6 | Low | 45.1 | Very low | 157 Ų | 157 | 136.4 Ų | 136.4 | 82% | 0.822 | 79% | 0.787 | S | S | * | * | | | trans | -119.3 | 148.8 | 156.3 | -73.6 | -178.3 | 0 | 0 | 0 | 108.5 | H255 | H255-L257 PolarHBondContact O-N 3.35Š|
| 258 | P | 39.9 | Very low | 44.8 | Very low | 117 Ų | 117 | 136.9 Ų | 136.9 | 76% | 0.76 | 79% | 0.79 | S | S | * | * | | | trans | -71.3 | 150.1 | -161.8 | 29.6 | -34.8 | 0 | 0 | 0 | 112.7 | | |
| 259 | P | 45.1 | Very low | 44.6 | Very low | 123 Ų | 123 | 133 Ų | 133 | 80% | 0.799 | 79% | 0.786 | S | S | * | * | | | trans | -91.8 | 131.5 | -174.1 | 34.7 | -29 | 0 | 0 | 0 | 111.5 | | |
| 260 | L | 42.2 | Very low | 44.4 | Very low | 184 Ų | 184 | 130.3 Ų | 130.3 | 96% | 0.963 | 79% | 0.785 | S | S | * | * | | | trans | -164.5 | 114.8 | 146.5 | -156.5 | 62.2 | 0 | 0 | 0 | 112 | | |
| 261 | G | 39.4 | Very low | 45.1 | Very low | 70 Ų | 70 | 129.9 Ų | 129.9 | 72% | 0.722 | 78% | 0.783 | S | S | * | * | | | trans | 133.8 | 60.6 | 159.2 | 0 | 0 | 0 | 0 | 0 | 118.5 | | |
| 262 | Q | 48 | Very low | 45 | Very low | 162 Ų | 162 | 132 Ų | 132 | 76% | 0.757 | 79% | 0.793 | S | S | * | * | | | | 40.3 | 113.5 | 123.7 | -167.9 | 88.3 | 73.4 | 0 | 0 | 120.1 | | |
| 263 | E | 43.8 | Very low | 45.2 | Very low | 157 Ų | 157 | 131.2 Ų | 131.2 | 73% | 0.734 | 79% | 0.79 | S | S | * | * | | | trans | 71 | 147.4 | 146.7 | -52 | -93.8 | 127.8 | 0 | 0 | 116.9 | | |
| 264 | V | 45.5 | Very low | 45.9 | Very low | 124 Ų | 124 | 132.8 Ų | 132.8 | 75% | 0.752 | 80% | 0.798 | S | S | * | * | | | cis | -164.1 | 154.5 | 6.2 | 124.4 | 0 | 0 | 0 | 0 | 105.3 | | |
| 265 | G | 51.2 | Low | 46.2 | Very low | 71 Ų | 71 | 136.6 Ų | 136.6 | 73% | 0.732 | 80% | 0.799 | S | S | * | * | | | trans | -70.6 | 170.3 | -154 | 0 | 0 | 0 | 0 | 0 | 119.4 | | |
| 266 | E | 43.5 | Very low | 46.4 | Very low | 201 Ų | 201 | 138.5 Ų | 138.5 | 94% | 0.939 | 81% | 0.811 | S | S | * | * | | | trans | -143.4 | 133.8 | 167.5 | -87.8 | -173.8 | 108.9 | 0 | 0 | 111 | | |
| 267 | Q | 46.1 | Very low | 46.9 | Very low | 178 Ų | 178 | 136.5 Ų | 136.5 | 83% | 0.832 | 80% | 0.802 | S | S | * | * | | | trans | -67.7 | 155.5 | 172.6 | -78.6 | -84.4 | 66 | 0 | 0 | 111.4 | G269 | Q267-G269 PolarHBondContact O-N 3.28Š|
| 268 | P | 48.4 | Very low | 46.7 | Very low | 128 Ų | 128 | 131.9 Ų | 131.9 | 83% | 0.831 | 79% | 0.793 | S | S | * | * | | | trans | -76 | 90.4 | 176.5 | 30.8 | -30.9 | 0 | 0 | 0 | 110 | | |
| 269 | G | 43.2 | Very low | 47.6 | Very low | 70 Ų | 70 | 132 Ų | 132 | 72% | 0.722 | 80% | 0.796 | S | S | * | * | | | trans | -90 | 127.5 | 171.9 | 0 | 0 | 0 | 0 | 0 | 111.9 | Q267 | Q267-G269 PolarHBondContact O-N 3.28Š|
| 270 | G | 40.8 | Very low | 47.9 | Very low | 80 Ų | 80 | 133.7 Ų | 133.7 | 83% | 0.825 | 80% | 0.798 | S | S | * | * | | | trans | 81.5 | 121 | 131.8 | 0 | 0 | 0 | 0 | 0 | 118.4 | | |
| 271 | L | 63.1 | Low | 48.6 | Very low | 168 Ų | 168 | 134.9 Ų | 134.9 | 88% | 0.88 | 80% | 0.795 | S | S | * | * | | | trans | -53.2 | 170.2 | 166.1 | -58.1 | 169.4 | 0 | 0 | 0 | 113.8 | | |
| 272 | S | 46.7 | Very low | 49.9 | Very low | 121 Ų | 121 | 134.9 Ų | 134.9 | 85% | 0.846 | 79% | 0.788 | S | S | * | * | | | trans | 88.5 | 101 | 156 | -67.4 | 0 | 0 | 0 | 0 | 117.9 | | |
| 273 | S | 47.5 | Very low | 51.2 | Low | 97 Ų | 97 | 136.3 Ų | 136.3 | 68% | 0.678 | 80% | 0.795 | S | S | * | * | | | | 173.6 | 96.5 | 119.6 | 175.4 | 0 | 0 | 0 | 0 | 107.2 | R275 | S273-R275 PolarHBondContact O-N 2.9Å; S273-R275 PolarHBondContact OG-N 3.21Å |
| 274 | L | 52.4 | Low | 52.9 | Low | 173 Ų | 173 | 131.5 Ų | 131.5 | 91% | 0.906 | 78% | 0.776 | S | S | * | * | | | trans | -69.8 | 79.4 | 157.1 | -170 | 76.1 | 0 | 0 | 0 | 105.5 | M276 | L274-M276 PolarHBondContact O-N 3.09Š|
| 275 | R | 44 | Very low | 54.9 | Low | 202 Ų | 202 | 130.8 Ų | 130.8 | 76% | 0.762 | 77% | 0.768 | S | S | * | * | | | trans | -48.4 | 112.6 | 162.8 | -110.2 | -176.1 | -176.3 | 171.7 | 3 | 105.1 | S273 S277 | S273-R275 PolarHBondContact O-N 2.9Å; S273-R275 PolarHBondContact OG-N 3.21Å; R275-S277 PolarHBondContact O-N 3.21Å |
| 276 | M | 53.8 | Low | 56.7 | Low | 190 Ų | 190 | 136.3 Ų | 136.3 | 94% | 0.936 | 77% | 0.772 | S | S | * | * | | | trans | -63.2 | 78.3 | 156.4 | -69.9 | 175.9 | 68.2 | 0 | 0 | 105.7 | L274 G278 | L274-M276 PolarHBondContact O-N 3.09Å; M276-G278 PolarHBondContact O-N 2.79Å |
| 277 | S | 49.4 | Very low | 58.9 | Low | 93 Ų | 93 | 132 Ų | 132 | 65% | 0.65 | 76% | 0.76 | S | S | * | * | | | trans | -85 | 113.1 | -171.2 | 52.3 | 0 | 0 | 0 | 0 | 108.8 | R275 | R275-S277 PolarHBondContact O-N 3.21Š|
| 278 | G | 47.1 | Very low | 61 | Low | 60 Ų | 60 | 126.5 Ų | 126.5 | 62% | 0.619 | 74% | 0.738 | S | S | * | * | | | trans | 80.4 | 118.4 | 145.2 | 0 | 0 | 0 | 0 | 0 | 113.5 | M276 L280 | M276-G278 PolarHBondContact O-N 2.79Å; G278-L280 PolarHBondContact O-N 2.93Å |
| 279 | S | 57.6 | Low | 63.2 | Low | 119 Ų | 119 | 124.2 Ų | 124.2 | 83% | 0.832 | 72% | 0.716 | S | S | * | * | | | trans | -53.8 | 90.8 | 147.1 | 43.3 | 0 | 0 | 0 | 0 | 107.6 | K281 | S279-K281 PolarHBondContact O-N 3.03Š|
| 280 | L | 52.6 | Low | 65.6 | Low | 159 Ų | 159 | 125.3 Ų | 125.3 | 83% | 0.832 | 71% | 0.709 | S | S | * | * | | | trans | -58.2 | 102.5 | 159.7 | -74.2 | 169.8 | 0 | 0 | 0 | 103.8 | G278 A282 | G278-L280 PolarHBondContact O-N 2.93Å; L280-A282 PolarHBondContact O-N 2.67Å |
| 281 | K | 55.8 | Low | 68.1 | Low | 209 Ų | 209 | 125.5 Ų | 125.5 | 91% | 0.909 | 69% | 0.691 | S | S | * | * | | | trans | -67.1 | 62.9 | 160.4 | -92.1 | -136.9 | 171 | -171 | 0 | 107.4 | S279 E283 | S279-K281 PolarHBondContact O-N 3.03Å; K281-E283 PolarHBondContact O-N 3.04Å |
| 282 | A | 67.1 | Low | 69.5 | Low | 70 Ų | 70 | 120.1 Ų | 120.1 | 58% | 0.579 | 66% | 0.662 | S | S | * | * | | | trans | -65.9 | 119.4 | 151.1 | 0 | 0 | 0 | 0 | 0 | 104.2 | L280 V284 | L280-A282 PolarHBondContact O-N 2.67Å; A282-V284 PolarHBondContact O-N 2.94Å |
| 283 | E | 75.1 | Confident | 71.6 | Confident | 192 Ų | 192 | 118.3 Ų | 118.3 | 90% | 0.897 | 64% | 0.643 | S | S | * | * | | | trans | -63.1 | 89.7 | 170.8 | -173.9 | 168.9 | 144 | 0 | 0 | 107.1 | K281 | K281-E283 PolarHBondContact O-N 3.04Š|
| 284 | V | 79.1 | Confident | 73.7 | Confident | 57 Ų | 57 | 120.2 Ų | 120.2 | 35% | 0.345 | 64% | 0.64 | S | S | . | * | | | trans | -79.6 | 123.6 | 172.4 | 161.5 | 0 | 0 | 0 | 0 | 106.3 | A282 K286 T288 Q289 I292 | A282-V284 PolarHBondContact O-N 2.94Å; V284-K286 PolarHBondContact O-N 2.74Å; V284-T288 HydrophobicContact CG1-CG2 3.8Å; V284-Q289 HydrophobicContact CG1-CB 3.83Å; V284-Q289 VanDerWaalsContact CG1-N 3.28Å; V284-I292 HydrophobicContact CG1-CD1 4.17Å |
| 285 | D | 89 | Confident | 75.7 | Confident | 108 Ų | 108 | 117.1 Ų | 117.1 | 58% | 0.578 | 62% | 0.622 | S | S | * | * | | | trans | -50.7 | 141.4 | 174.1 | -70.8 | -57.8 | 0 | 0 | 0 | 110.2 | T287 T288 Q289 | D285-T287 HydrophobicContact CB-CG2 4.11Å; D285-T287 PolarHBondContact O-N 3.04Å; D285-T288 WeakPolarHBondContact O-CA 3.09Å; D285-T288 WeakPolarHBondContact O-CB 3.48Å; D285-T288 PolarHBondContact O-N 2.84Å; D285-Q289 PolarHBondContact O-N 3.37Å |
| 286 | K | 88.9 | Confident | 77.9 | Confident | 188 Ų | 188 | 112.6 Ų | 112.6 | 82% | 0.817 | 61% | 0.612 | S | S | * | * | H | α-helix | trans | -53.1 | -34.6 | -176.9 | -64.8 | 178 | -179.8 | 174.6 | 0 | 112.7 | V284 V290 | V284-K286 PolarHBondContact O-N 2.74Å; K286-V290 VanDerWaalsContact O-CG2 3.27Å; K286-V290 WeakPolarHBondContact O-CG2 3.48Å; K286-V290 PolarHBondContact O-N 2.73Å |
| 287 | T | 88.7 | Confident | 79.6 | Confident | 110 Ų | 110 | 107.6 Ų | 107.6 | 68% | 0.675 | 60% | 0.596 | S | S | * | * | H | α-helix | trans | -69 | -37.1 | 175.9 | -172.2 | 0 | 0 | 0 | 0 | 112.8 | D285 V290 D291 | D285-T287 HydrophobicContact CB-CG2 4.11Å; D285-T287 PolarHBondContact O-N 3.04Å; T287-V290 PolarHBondContact O-N 3.01Å; T287-D291 PolarHBondContact O-N 2.8Å; T287-D291 VanDerWaalsContact O-N 3.14Å |
| 288 | T | 91.6 | Very high | 81.3 | Confident | 62 Ų | 62 | 108.8 Ų | 108.8 | 38% | 0.38 | 60% | 0.599 | S | S | . | * | H | α-helix | trans | -72.6 | -37 | 178.9 | -54.7 | 0 | 0 | 0 | 0 | 110.4 | V284 D285 V290 D291 I292 | V284-T288 HydrophobicContact CG1-CG2 3.8Å; D285-T288 WeakPolarHBondContact O-CA 3.09Å; D285-T288 WeakPolarHBondContact O-CB 3.48Å; D285-T288 PolarHBondContact O-N 2.84Å; T288-V290 VanDerWaalsContact C-N 3.34Å; T288-V290 PolarHBondContact O-N 2.95Å; T288-D291 PolarHBondContact O-N 3.44Å; T288-I292 HydrophobicContact CG2-CD1 4.15Å; T288-I292 WeakPolarHBondContact O-CD1 3.5Å; T288-I292 VanDerWaalsContact O-CG1 3.24Å; T288-I292 WeakPolarHBondContact O-CG1 3.42Å; T288-I292 PolarHBondContact O-N 2.73Å |
| 289 | Q | 93.5 | Very high | 82.9 | Confident | 80 Ų | 80 | 110.8 Ų | 110.8 | 37% | 0.374 | 60% | 0.602 | S | S | . | * | H | α-helix | trans | -62.4 | -42.8 | 173.3 | -174 | 61.5 | 40.1 | 0 | 0 | 111.3 | V284 D285 D291 I292 D293 | V284-Q289 HydrophobicContact CG1-CB 3.83Å; V284-Q289 VanDerWaalsContact CG1-N 3.28Å; D285-Q289 PolarHBondContact O-N 3.37Å; Q289-D291 VanDerWaalsContact C-N 3.34Å; Q289-D291 PolarHBondContact O-N 2.97Å; Q289-I292 PolarHBondContact O-N 3.38Å; Q289-D293 PolarHBondContact NE2-OD1 2.84Å; Q289-D293 WeakPolarHBondContact O-CB 3.34Å; Q289-D293 PolarHBondContact O-N 3.39Å |
| 290 | V | 93.6 | Very high | 83.9 | Confident | 94 Ų | 94 | 108.8 Ų | 108.8 | 57% | 0.57 | 59% | 0.593 | S | S | * | * | H | α-helix | trans | -62.6 | -40 | 177.1 | 169.5 | 0 | 0 | 0 | 0 | 111.8 | K286 T287 T288 D293 K294 | K286-V290 VanDerWaalsContact O-CG2 3.27Å; K286-V290 WeakPolarHBondContact O-CG2 3.48Å; K286-V290 PolarHBondContact O-N 2.73Å; T287-V290 PolarHBondContact O-N 3.01Å; T288-V290 VanDerWaalsContact C-N 3.34Å; T288-V290 PolarHBondContact O-N 2.95Å; V290-D293 PolarHBondContact O-N 2.72Å; V290-K294 VanDerWaalsContact O-CB 3.27Å; V290-K294 WeakPolarHBondContact O-CB 3.45Å; V290-K294 PolarHBondContact O-N 2.95Å |
| 291 | D | 93.1 | Very high | 85.2 | Confident | 83 Ų | 83 | 104.2 Ų | 104.2 | 44% | 0.444 | 58% | 0.578 | S | S | . | * | H | α-helix | trans | -68.8 | -39 | 177.4 | -168.1 | 51.6 | 0 | 0 | 0 | 112.1 | T287 T288 Q289 K294 M295 | T287-D291 PolarHBondContact O-N 2.8Å; T287-D291 VanDerWaalsContact O-N 3.14Å; T288-D291 PolarHBondContact O-N 3.44Å; Q289-D291 VanDerWaalsContact C-N 3.34Å; Q289-D291 PolarHBondContact O-N 2.97Å; D291-K294 PolarHBondContact O-N 2.92Å; D291-M295 WeakPolarHBondContact O-CG 3.18Å; D291-M295 PolarHBondContact O-N 3.06Å |
| 292 | I | 92.6 | Very high | 86.2 | Confident | 55 Ų | 55 | 99.6 Ų | 99.6 | 28% | 0.282 | 57% | 0.57 | S | S | . | * | H | α-helix | trans | -60 | -50.7 | 172.2 | -67.6 | 163.4 | 0 | 0 | 0 | 110.5 | V284 T288 Q289 K294 M295 L296 | V284-I292 HydrophobicContact CG1-CD1 4.17Å; T288-I292 HydrophobicContact CG2-CD1 4.15Å; T288-I292 WeakPolarHBondContact O-CD1 3.5Å; T288-I292 VanDerWaalsContact O-CG1 3.24Å; T288-I292 WeakPolarHBondContact O-CG1 3.42Å; T288-I292 PolarHBondContact O-N 2.73Å; Q289-I292 PolarHBondContact O-N 3.38Å; I292-K294 VanDerWaalsContact C-N 3.26Å; I292-K294 PolarHBondContact O-N 3.45Å; I292-M295 HydrophobicContact CG1-CE 4.42Å; I292-M295 PolarHBondContact O-N 2.93Å; I292-M295 VanDerWaalsContact O-N 3.12Å; I292-L296 HydrophobicContact CG2-CD1 3.79Å; I292-L296 HydrophobicContact CG2-CG 4.26Å; I292-L296 VanDerWaalsContact O-CG 3.3Å; I292-L296 WeakPolarHBondContact O-CG 2.93Å; I292-L296 PolarHBondContact O-N 3.45Å |
| 293 | D | 90.6 | Very high | 86.6 | Confident | 83 Ų | 83 | 104.4 Ų | 104.4 | 44% | 0.444 | 59% | 0.585 | S | S | . | * | H | α-helix | trans | -60.9 | -38.3 | 179.7 | -67.5 | -19.1 | 0 | 0 | 0 | 111.1 | Q289 V290 L296 S297 | Q289-D293 PolarHBondContact NE2-OD1 2.84Å; Q289-D293 WeakPolarHBondContact O-CB 3.34Å; Q289-D293 PolarHBondContact O-N 3.39Å; V290-D293 PolarHBondContact O-N 2.72Å; D293-L296 PolarHBondContact O-N 3.5Å; D293-S297 VanDerWaalsContact O-CB 3.28Å; D293-S297 WeakPolarHBondContact O-CB 3.45Å; D293-S297 PolarHBondContact O-N 2.74Å |
| 294 | K | 92.6 | Very high | 86.9 | Confident | 138 Ų | 138 | 100 Ų | 100 | 60% | 0.6 | 57% | 0.57 | S | S | * | * | H | α-helix | trans | -64.3 | -42 | 174.5 | 175.6 | 169.3 | 162.5 | -79.1 | 0 | 112.3 | V290 D291 I292 | V290-K294 VanDerWaalsContact O-CB 3.27Å; V290-K294 WeakPolarHBondContact O-CB 3.45Å; V290-K294 PolarHBondContact O-N 2.95Å; D291-K294 PolarHBondContact O-N 2.92Å; I292-K294 VanDerWaalsContact C-N 3.26Å; I292-K294 PolarHBondContact O-N 3.45Å |
| 295 | M | 93.8 | Very high | 86.9 | Confident | 107 Ų | 107 | 102.2 Ų | 102.2 | 53% | 0.527 | 59% | 0.586 | S | S | . | * | H | α-helix | trans | -64.9 | -43.6 | 174.5 | -72.5 | -166.4 | -60 | 0 | 0 | 111.7 | D291 I292 S297 V298 | D291-M295 WeakPolarHBondContact O-CG 3.18Å; D291-M295 PolarHBondContact O-N 3.06Å; I292-M295 HydrophobicContact CG1-CE 4.42Å; I292-M295 PolarHBondContact O-N 2.93Å; I292-M295 VanDerWaalsContact O-N 3.12Å; M295-S297 VanDerWaalsContact C-N 3.33Å; M295-S297 PolarHBondContact O-N 2.97Å; M295-V298 PolarHBondContact O-N 3.2Å |
| 296 | L | 90.6 | Very high | 86.3 | Confident | 107 Ų | 107 | 102.7 Ų | 102.7 | 56% | 0.56 | 60% | 0.595 | S | S | * | * | H | α-helix | trans | -69.6 | -31.7 | -179.3 | -65.9 | 177.5 | 0 | 0 | 0 | 112.3 | I292 D293 V298 C299 A300 | I292-L296 HydrophobicContact CG2-CD1 3.79Å; I292-L296 HydrophobicContact CG2-CG 4.26Å; I292-L296 VanDerWaalsContact O-CG 3.3Å; I292-L296 WeakPolarHBondContact O-CG 2.93Å; I292-L296 PolarHBondContact O-N 3.45Å; D293-L296 PolarHBondContact O-N 3.5Å; L296-V298 VanDerWaalsContact C-N 3.27Å; L296-V298 PolarHBondContact O-N 3.37Å; L296-C299 CarbonylContact O-C 3.6Å; L296-C299 PolarHBondContact O-N 3.04Å; L296-A300 PolarHBondContact O-N 3.47Å |
| 297 | S | 89.1 | Confident | 85.8 | Confident | 86 Ų | 86 | 101.2 Ų | 101.2 | 60% | 0.601 | 60% | 0.595 | S | S | * | * | H | α-helix | trans | -59.8 | -36 | 176.3 | 178.5 | 0 | 0 | 0 | 0 | 112.6 | D293 M295 C299 A300 | D293-S297 VanDerWaalsContact O-CB 3.28Å; D293-S297 WeakPolarHBondContact O-CB 3.45Å; D293-S297 PolarHBondContact O-N 2.74Å; M295-S297 VanDerWaalsContact C-N 3.33Å; M295-S297 PolarHBondContact O-N 2.97Å; S297-C299 PolarHBondContact O-N 3.28Å; S297-A300 PolarHBondContact O-N 2.98Å |
| 298 | V | 84.8 | Confident | 85.3 | Confident | 118 Ų | 118 | 100.7 Ų | 100.7 | 72% | 0.715 | 60% | 0.596 | S | S | * | * | H | α-helix | trans | -63.9 | -30.6 | 175.5 | 179.6 | 0 | 0 | 0 | 0 | 111.5 | M295 L296 | M295-V298 PolarHBondContact O-N 3.2Å; L296-V298 VanDerWaalsContact C-N 3.27Å; L296-V298 PolarHBondContact O-N 3.37Å |
| 299 | C | 81.3 | Confident | 84.5 | Confident | 101 Ų | 101 | 103 Ų | 103 | 68% | 0.682 | 61% | 0.612 | S | S | * | * | H | α-helix | trans | -91 | -6.4 | -177.6 | -60.7 | 0 | 0 | 0 | 0 | 113.6 | L296 S297 A301 | L296-C299 CarbonylContact O-C 3.6Å; L296-C299 PolarHBondContact O-N 3.04Å; S297-C299 PolarHBondContact O-N 3.28Å; C299-A301 PolarHBondContact O-N 3.15Å |
| 300 | A | 79.1 | Confident | 83.6 | Confident | 78 Ų | 78 | 108.1 Ų | 108.1 | 65% | 0.645 | 64% | 0.636 | S | S | * | * | | | trans | -81.6 | -0.2 | -177.3 | 0 | 0 | 0 | 0 | 0 | 113.8 | L296 S297 | L296-A300 PolarHBondContact O-N 3.47Å; S297-A300 PolarHBondContact O-N 2.98Å |
| 301 | A | 79.5 | Confident | 82.3 | Confident | 63 Ų | 63 | 114.3 Ų | 114.3 | 52% | 0.521 | 65% | 0.651 | S | S | . | * | S | Bend | trans | -64.6 | 133.7 | 176.3 | 0 | 0 | 0 | 0 | 0 | 110.5 | C299 L303 | C299-A301 PolarHBondContact O-N 3.15Å; A301-L303 PolarHBondContact O-N 3Å |
| 302 | P | 76.9 | Confident | 80.9 | Confident | 112 Ų | 112 | 123.3 Ų | 123.3 | 73% | 0.727 | 69% | 0.686 | S | S | * | * | | | trans | -56 | 112.8 | 173.4 | -22.6 | 32 | 0 | 0 | 0 | 109.8 | V304 | P302-V304 PolarHBondContact O-N 3.25Å; P302-V304 VanDerWaalsContact O-N 3.1Å |
| 303 | L | 75 | Confident | 80.4 | Confident | 171 Ų | 171 | 126.8 Ų | 126.8 | 90% | 0.895 | 71% | 0.706 | S | S | * | * | S | Bend | trans | -65.8 | -10.7 | 178.9 | -63.4 | 176.8 | 0 | 0 | 0 | 112.7 | A301 | A301-L303 PolarHBondContact O-N 3Š|
| 304 | V | 82 | Confident | 79.8 | Confident | 98 Ų | 98 | 129.1 Ų | 129.1 | 59% | 0.594 | 72% | 0.72 | S | S | * | * | S | Bend | trans | -133.1 | 126 | -179.9 | -174.3 | 0 | 0 | 0 | 0 | 108.3 | P302 | P302-V304 PolarHBondContact O-N 3.25Å; P302-V304 VanDerWaalsContact O-N 3.1Å |
| 305 | P | 78.4 | Confident | 79.1 | Confident | 104 Ų | 104 | 128.6 Ų | 128.6 | 68% | 0.675 | 73% | 0.727 | S | S | * | * | | | trans | -55.5 | 138.6 | 170.8 | -22.6 | 32.5 | 0 | 0 | 0 | 110.1 | L307 | P305-L307 PolarHBondContact O-N 2.92Å; P305-L307 VanDerWaalsContact O-N 3.17Å |
| 306 | P | 77.8 | Confident | 78.3 | Confident | 118 Ų | 118 | 129.8 Ų | 129.8 | 77% | 0.766 | 74% | 0.738 | S | S | * | * | | | trans | -54.4 | 127.8 | 177.7 | 22.3 | -31.9 | 0 | 0 | 0 | 109.4 | S308 | P306-S308 VanDerWaalsContact C-N 3.31Å; P306-S308 PolarHBondContact O-N 3.29Å |
| 307 | L | 77.2 | Confident | 77.5 | Confident | 158 Ų | 158 | 131.3 Ų | 131.3 | 83% | 0.827 | 75% | 0.75 | S | S | * | * | S | Bend | trans | -66.8 | 91.3 | -178.4 | -67.2 | 177.9 | 0 | 0 | 0 | 109.6 | P305 | P305-L307 PolarHBondContact O-N 2.92Å; P305-L307 VanDerWaalsContact O-N 3.17Å |
| 308 | S | 78.3 | Confident | 76.7 | Confident | 99 Ų | 99 | 134.3 Ų | 134.3 | 69% | 0.692 | 76% | 0.759 | S | S | * | * | S | Bend | trans | 58.5 | 154 | 175.4 | -54.2 | 0 | 0 | 0 | 0 | 115.3 | P306 Q310 | P306-S308 VanDerWaalsContact C-N 3.31Å; P306-S308 PolarHBondContact O-N 3.29Å; S308-Q310 PolarHBondContact O-N 3.34Å; S308-Q310 VanDerWaalsContact O-N 3.14Å |
| 309 | P | 75.7 | Confident | 76.1 | Confident | 109 Ų | 109 | 135.4 Ų | 135.4 | 71% | 0.708 | 76% | 0.763 | S | S | * | * | | | trans | -61.3 | 120.7 | 171.1 | -16 | 29.1 | 0 | 0 | 0 | 108.9 | Y311 | P309-Y311 VanDerWaalsContact C-N 3.32Å; P309-Y311 PolarHBondContact O-N 3.16Å |
| 310 | Q | 74.8 | Confident | 75.7 | Confident | 188 Ų | 188 | 138.1 Ų | 138.1 | 88% | 0.879 | 77% | 0.769 | S | S | * | * | | | trans | -67 | 99 | 162.6 | -68.8 | -169.7 | 2.3 | 0 | 0 | 106.7 | S308 K312 | S308-Q310 PolarHBondContact O-N 3.34Å; S308-Q310 VanDerWaalsContact O-N 3.14Å; Q310-K312 PolarHBondContact O-N 3.18Å; Q310-K312 VanDerWaalsContact O-N 3.15Å |
| 311 | Y | 65.7 | Low | 75.5 | Confident | 224 Ų | 224 | 143.1 Ų | 143.1 | 88% | 0.878 | 78% | 0.779 | S | S | * | * | | | trans | -56.5 | 117.7 | 169 | -96.2 | -94.2 | 0 | 0 | 0 | 107.9 | P309 | P309-Y311 VanDerWaalsContact C-N 3.32Å; P309-Y311 PolarHBondContact O-N 3.16Å |
| 312 | K | 64.3 | Low | 75.1 | Confident | 273 Ų | 273 | 150.4 Ų | 150.4 | 100% | 1.187 | 80% | 0.803 | S | S | * | * | | | trans | -84.2 | 0 | 165.2 | -79.1 | -174.2 | 176.4 | -177 | 0 | 109.7 | Q310 | Q310-K312 PolarHBondContact O-N 3.18Å; Q310-K312 VanDerWaalsContact O-N 3.15Å |