| 1 | M | 33.8 | Very low | 33.4 | Very low | 247 Ų | 247 | 163.5 Ų | 163.5 | 100% | 1.217 | 83% | 0.834 | S | S | * | * | | | | 0 | 105.5 | 0 | -62.6 | 171.7 | 83.7 | 0 | 0 | 105.5 | | |
| 2 | S | 35.3 | Very low | 33.3 | Very low | 116 Ų | 116 | 162.8 Ų | 162.8 | 81% | 0.811 | 83% | 0.825 | S | S | * | * | | | cis | -156 | 117.3 | 14.3 | 37.7 | 0 | 0 | 0 | 0 | 106.4 | | |
| 3 | D | 31.2 | Very low | 33.2 | Very low | 166 Ų | 166 | 163.5 Ų | 163.5 | 89% | 0.888 | 82% | 0.824 | S | S | * | * | | | trans | -70.6 | 141.6 | 169.9 | -71.7 | -51.7 | 0 | 0 | 0 | 110.6 | | |
| 4 | S | 40 | Very low | 33.1 | Very low | 120 Ų | 120 | 165.8 Ų | 165.8 | 84% | 0.839 | 83% | 0.83 | S | S | * | * | | | trans | -131.8 | 90.3 | 156.4 | 60.1 | 0 | 0 | 0 | 0 | 109.1 | | |
| 5 | N | 31.4 | Very low | 32.9 | Very low | 151 Ų | 151 | 166.4 Ų | 166.4 | 81% | 0.807 | 83% | 0.829 | S | S | * | * | | | trans | -60.7 | 152.9 | 160.7 | -111.3 | -24.5 | 0 | 0 | 0 | 111.8 | | |
| 6 | K | 37.3 | Very low | 32.6 | Very low | 204 Ų | 204 | 164.3 Ų | 164.3 | 89% | 0.887 | 83% | 0.833 | S | S | * | * | | | trans | 136 | 124.2 | 156.6 | -78.3 | 166.8 | -177.8 | -176.7 | 0 | 107.9 | | |
| 7 | S | 36.6 | Very low | 32.6 | Very low | 112 Ų | 112 | 163.6 Ų | 163.6 | 78% | 0.783 | 83% | 0.831 | S | S | * | * | | | cis | -159.6 | 135.7 | 46.2 | 47.1 | 0 | 0 | 0 | 0 | 113.1 | | |
| 8 | Y | 27.1 | Very low | 32.6 | Very low | 201 Ų | 201 | 161 Ų | 161 | 79% | 0.788 | 83% | 0.827 | S | S | * | * | | | trans | -46.8 | 144.1 | 151.6 | -118.9 | -110.2 | 0 | 0 | 0 | 112.5 | | |
| 9 | W | 34.7 | Very low | 32.5 | Very low | 245 Ų | 245 | 164.6 Ų | 164.6 | 93% | 0.928 | 83% | 0.831 | S | S | * | * | | | | -159.8 | 125.3 | 123.3 | -84.6 | 105 | 0 | 0 | 0 | 109.4 | | |
| 10 | S | 30.7 | Very low | 32.3 | Very low | 73 Ų | 73 | 162.8 Ų | 162.8 | 51% | 0.51 | 83% | 0.828 | S | S | . | * | | | trans | -68.8 | 155.8 | 171.1 | 34 | 0 | 0 | 0 | 0 | 112.6 | | |
| 11 | F | 29.4 | Very low | 32.5 | Very low | 164 Ų | 164 | 161.6 Ų | 161.6 | 72% | 0.719 | 83% | 0.829 | S | S | * | * | | | | -175.5 | 127.1 | 126.5 | -116.4 | -114.4 | 0 | 0 | 0 | 112.3 | | |
| 12 | E | 31.9 | Very low | 32.2 | Very low | 155 Ų | 155 | 156 Ų | 156 | 72% | 0.724 | 81% | 0.809 | S | S | * | * | | | trans | 66.7 | 108.6 | 144.2 | -73.2 | 169.5 | 174 | 0 | 0 | 123.2 | | |
| 13 | E | 31.7 | Very low | 32.1 | Very low | 172 Ų | 172 | 155.2 Ų | 155.2 | 80% | 0.804 | 81% | 0.81 | S | S | * | * | | | trans | -8.5 | 129.3 | 140.4 | -62.4 | 173.6 | 152.8 | 0 | 0 | 116.9 | | |
| 14 | E | 32.9 | Very low | 32.2 | Very low | 195 Ų | 195 | 152.9 Ų | 152.9 | 91% | 0.911 | 80% | 0.802 | S | S | * | * | | | trans | -148.9 | 134.9 | 130.4 | -78.2 | -150.6 | 155 | 0 | 0 | 111.2 | | |
| 15 | H | 29.5 | Very low | 32 | Very low | 175 Ų | 175 | 154.8 Ų | 154.8 | 81% | 0.81 | 80% | 0.802 | S | S | * | * | | | trans | -68.5 | 128.5 | -177.5 | -69.7 | -73.9 | 0 | 0 | 0 | 112.9 | | |
| 16 | C | 29 | Very low | 32 | Very low | 133 Ų | 133 | 153.7 Ų | 153.7 | 90% | 0.899 | 80% | 0.801 | S | S | * | * | | | trans | -116.3 | 101.4 | 163.5 | -82.9 | 0 | 0 | 0 | 0 | 110.4 | | |
| 17 | L | 31.1 | Very low | 32.1 | Very low | 153 Ų | 153 | 151.6 Ų | 151.6 | 80% | 0.801 | 80% | 0.798 | S | S | * | * | P | Polyproline II helix | trans | -63.8 | 140.3 | 167.8 | -66.6 | 162.7 | 0 | 0 | 0 | 110.6 | | |
| 18 | P | 33 | Very low | 32.1 | Very low | 116 Ų | 116 | 151 Ų | 151 | 75% | 0.753 | 79% | 0.794 | S | S | * | * | P | Polyproline II helix | trans | -84.8 | 124.5 | 170.9 | 32.4 | -27.7 | 0 | 0 | 0 | 110.3 | T20 | P18-T20 PolarHBondContact O-N 2.82Š|
| 19 | Y | 30.4 | Very low | 32.2 | Very low | 230 Ų | 230 | 148 Ų | 148 | 90% | 0.902 | 80% | 0.797 | S | S | * | * | P | Polyproline II helix | trans | -66.7 | 119.1 | 171.1 | -85.6 | -98 | 0 | 0 | 0 | 110.7 | | |
| 20 | T | 29.8 | Very low | 32.4 | Very low | 127 Ų | 127 | 142.5 Ų | 142.5 | 78% | 0.779 | 78% | 0.784 | S | S | * | * | P | Polyproline II helix | trans | -96 | 116.8 | 167.6 | 52.2 | 0 | 0 | 0 | 0 | 109.8 | P18 | P18-T20 PolarHBondContact O-N 2.82Š|
| 21 | T | 35 | Very low | 32.7 | Very low | 139 Ų | 139 | 145.3 Ų | 145.3 | 85% | 0.853 | 80% | 0.799 | S | S | * | * | | | trans | -104.5 | 105.7 | 167.4 | 38.5 | 0 | 0 | 0 | 0 | 109.8 | | |
| 22 | T | 28.7 | Very low | 32.9 | Very low | 128 Ų | 128 | 144.3 Ų | 144.3 | 79% | 0.785 | 81% | 0.806 | S | S | * | * | | | trans | -83.7 | 114.5 | 169.5 | 26.9 | 0 | 0 | 0 | 0 | 109.5 | | |
| 23 | A | 33.6 | Very low | 33.1 | Very low | 101 Ų | 101 | 141.7 Ų | 141.7 | 84% | 0.835 | 81% | 0.811 | S | S | * | * | | | trans | -104.3 | 101.1 | 165.6 | 0 | 0 | 0 | 0 | 0 | 108.9 | | |
| 24 | T | 33 | Very low | 33.1 | Very low | 117 Ų | 117 | 140 Ų | 140 | 72% | 0.718 | 81% | 0.813 | S | S | * | * | | | trans | -86 | 113.2 | 171.8 | 38.7 | 0 | 0 | 0 | 0 | 109.4 | | |
| 25 | N | 34.3 | Very low | 33.2 | Very low | 159 Ų | 159 | 138.1 Ų | 138.1 | 85% | 0.85 | 81% | 0.807 | S | S | * | * | | | trans | -91.4 | 101.7 | 163.4 | -83.3 | -27.5 | 0 | 0 | 0 | 108.8 | | |
| 26 | T | 32.9 | Very low | 33.2 | Very low | 128 Ų | 128 | 136.1 Ų | 136.1 | 79% | 0.785 | 81% | 0.808 | S | S | * | * | | | trans | -71.4 | 115.4 | 167.1 | 39.2 | 0 | 0 | 0 | 0 | 109.3 | | |
| 27 | I | 38.1 | Very low | 33.6 | Very low | 160 Ų | 160 | 136.8 Ų | 136.8 | 82% | 0.821 | 80% | 0.801 | S | S | * | * | | | trans | -98 | 105.5 | 164.4 | -63.5 | 176.9 | 0 | 0 | 0 | 106.8 | | |
| 28 | S | 36.6 | Very low | 33.5 | Very low | 100 Ų | 100 | 135.8 Ų | 135.8 | 70% | 0.699 | 80% | 0.801 | S | S | * | * | | | trans | -67.7 | 129.8 | 174.3 | 17.7 | 0 | 0 | 0 | 0 | 111.2 | | |
| 29 | T | 30.7 | Very low | 33.8 | Very low | 138 Ų | 138 | 136.6 Ų | 136.6 | 85% | 0.847 | 80% | 0.804 | S | S | * | * | | | trans | -58.9 | 126.7 | 169.4 | 43.5 | 0 | 0 | 0 | 0 | 111.4 | | |
| 30 | I | 38.9 | Very low | 34 | Very low | 129 Ų | 129 | 132 Ų | 132 | 66% | 0.662 | 80% | 0.8 | S | S | * | * | | | trans | -115.6 | 117 | 164.2 | -62.2 | 177.5 | 0 | 0 | 0 | 108 | | |
| 31 | T | 36.8 | Very low | 34.3 | Very low | 133 Ų | 133 | 132.5 Ų | 132.5 | 82% | 0.816 | 80% | 0.803 | S | S | * | * | | | trans | -65.4 | 132.2 | 173.4 | 26.9 | 0 | 0 | 0 | 0 | 111.2 | | |
| 32 | T | 33.6 | Very low | 34.3 | Very low | 143 Ų | 143 | 132.3 Ų | 132.3 | 88% | 0.877 | 80% | 0.802 | S | S | * | * | | | trans | -77.9 | 125.4 | 173.6 | 44.1 | 0 | 0 | 0 | 0 | 110.8 | | |
| 33 | A | 35.9 | Very low | 34.6 | Very low | 99 Ų | 99 | 132.6 Ų | 132.6 | 82% | 0.818 | 80% | 0.803 | S | S | * | * | | | trans | -104.9 | 126.9 | 164.8 | 0 | 0 | 0 | 0 | 0 | 109.4 | | |
| 34 | T | 32 | Very low | 34.9 | Very low | 138 Ų | 138 | 134.5 Ų | 134.5 | 85% | 0.847 | 81% | 0.805 | S | S | * | * | | | trans | -77.4 | 132.2 | 178.7 | 44.2 | 0 | 0 | 0 | 0 | 111.4 | | |
| 35 | I | 34.8 | Very low | 35 | Very low | 154 Ų | 154 | 133.7 Ų | 133.7 | 79% | 0.79 | 80% | 0.804 | S | S | * | * | | | trans | -126.9 | 118.1 | 164.4 | -61.9 | 177.1 | 0 | 0 | 0 | 107.7 | I37 | I35-I37 HydrophobicContact CG2-CG1 4.39Š|
| 36 | T | 28.9 | Very low | 35.2 | Very low | 134 Ų | 134 | 132.9 Ų | 132.9 | 82% | 0.822 | 80% | 0.8 | S | S | * | * | | | trans | -79.2 | 129.9 | 172.2 | 40.1 | 0 | 0 | 0 | 0 | 110.4 | | |
| 37 | I | 36.3 | Very low | 35.6 | Very low | 147 Ų | 147 | 133.4 Ų | 133.4 | 75% | 0.754 | 80% | 0.797 | S | S | * | * | | | trans | -126.9 | 115.8 | 164.7 | -58.3 | 178.8 | 0 | 0 | 0 | 108 | I35 | I35-I37 HydrophobicContact CG2-CG1 4.39Š|
| 38 | T | 30.3 | Very low | 35.5 | Very low | 132 Ų | 132 | 132.6 Ų | 132.6 | 81% | 0.81 | 79% | 0.794 | S | S | * | * | | | trans | -79.1 | 129.3 | 170.2 | 42.3 | 0 | 0 | 0 | 0 | 110.1 | | |
| 39 | T | 38.2 | Very low | 35.5 | Very low | 132 Ų | 132 | 133.3 Ų | 133.3 | 81% | 0.81 | 80% | 0.799 | S | S | * | * | | | trans | -123.8 | 119.7 | 163.1 | 46.5 | 0 | 0 | 0 | 0 | 110.5 | | |
| 40 | T | 35.6 | Very low | 35.8 | Very low | 133 Ų | 133 | 133.5 Ų | 133.5 | 82% | 0.816 | 80% | 0.799 | S | S | * | * | | | trans | -74.1 | 130.3 | 175.6 | 44.8 | 0 | 0 | 0 | 0 | 110.9 | | |
| 41 | T | 35.5 | Very low | 36 | Very low | 139 Ų | 139 | 133.2 Ų | 133.2 | 85% | 0.853 | 81% | 0.809 | S | S | * | * | | | trans | -89.7 | 122.8 | 167.4 | 42.8 | 0 | 0 | 0 | 0 | 109.7 | | |
| 42 | T | 35.9 | Very low | 35.8 | Very low | 135 Ų | 135 | 131.6 Ų | 131.6 | 83% | 0.828 | 80% | 0.803 | S | S | * | * | | | trans | -106.8 | 116.7 | 168 | 41.4 | 0 | 0 | 0 | 0 | 109.1 | | |
| 43 | T | 34.6 | Very low | 36 | Very low | 133 Ų | 133 | 130.5 Ų | 130.5 | 82% | 0.816 | 80% | 0.796 | S | S | * | * | | | trans | -79 | 138.1 | 171.5 | 47.6 | 0 | 0 | 0 | 0 | 110.9 | | |
| 44 | T | 39 | Very low | 36 | Very low | 142 Ų | 142 | 130.8 Ų | 130.8 | 87% | 0.871 | 79% | 0.788 | S | S | * | * | | | trans | -133.2 | 115 | 157.8 | 47.8 | 0 | 0 | 0 | 0 | 108.3 | | |
| 45 | S | 35.8 | Very low | 36.3 | Very low | 100 Ų | 100 | 131.2 Ų | 131.2 | 70% | 0.699 | 79% | 0.785 | S | S | * | * | | | trans | -77.2 | -175.9 | 169.7 | 53.7 | 0 | 0 | 0 | 0 | 111.2 | | |
| 46 | D | 38 | Very low | 36.5 | Very low | 142 Ų | 142 | 127.6 Ų | 127.6 | 76% | 0.759 | 78% | 0.778 | S | S | * | * | | | trans | 108.3 | 123.8 | 167.2 | -53 | -3.3 | 0 | 0 | 0 | 109.4 | | |
| 47 | I | 41.2 | Very low | 36.9 | Very low | 139 Ų | 139 | 127 Ų | 127 | 71% | 0.713 | 78% | 0.779 | S | S | * | * | | | cis | -166.2 | 145.3 | 25.4 | -65.6 | -168 | 0 | 0 | 0 | 110.3 | | |
| 48 | D | 36.3 | Very low | 37 | Very low | 143 Ų | 143 | 125 Ų | 125 | 77% | 0.765 | 78% | 0.779 | S | S | * | * | | | trans | 46.5 | 125.3 | 150.2 | -52.2 | -20.9 | 0 | 0 | 0 | 124.9 | | |
| 49 | S | 38.1 | Very low | 37.3 | Very low | 114 Ų | 114 | 123.4 Ų | 123.4 | 80% | 0.797 | 77% | 0.773 | S | S | * | * | | | | 153.5 | 110.7 | 95.5 | 51.7 | 0 | 0 | 0 | 0 | 112.4 | | |
| 50 | V | 36.1 | Very low | 37.2 | Very low | 143 Ų | 143 | 128.4 Ų | 128.4 | 87% | 0.867 | 78% | 0.777 | S | S | * | * | | | trans | -133.2 | 114 | 161.9 | 177.9 | 0 | 0 | 0 | 0 | 107.8 | | |
| 51 | S | 42.5 | Very low | 36.9 | Very low | 123 Ų | 123 | 131.5 Ų | 131.5 | 86% | 0.86 | 78% | 0.779 | S | S | * | * | | | trans | -80 | 136.3 | 166.6 | 36.5 | 0 | 0 | 0 | 0 | 110 | | |
| 52 | S | 32.5 | Very low | 37 | Very low | 98 Ų | 98 | 130 Ų | 130 | 69% | 0.685 | 77% | 0.772 | S | S | * | * | | | trans | -110.7 | 175.2 | -179.2 | 51.2 | 0 | 0 | 0 | 0 | 110.5 | | |
| 53 | T | 37.7 | Very low | 36.9 | Very low | 121 Ų | 121 | 130.9 Ų | 130.9 | 74% | 0.742 | 77% | 0.771 | S | S | * | * | | | trans | 90.1 | 139.5 | 163.2 | 75.5 | 0 | 0 | 0 | 0 | 116.4 | | |
| 54 | T | 37.1 | Very low | 36.6 | Very low | 105 Ų | 105 | 131 Ų | 131 | 64% | 0.644 | 77% | 0.771 | S | S | * | * | | | cis | -172.2 | 167.3 | -19.3 | 35.5 | 0 | 0 | 0 | 0 | 105.8 | | |
| 55 | D | 37.2 | Very low | 36.2 | Very low | 147 Ų | 147 | 129.5 Ų | 129.5 | 79% | 0.786 | 77% | 0.766 | S | S | * | * | | | trans | 74.8 | 146.1 | 152.7 | -53.4 | -37.4 | 0 | 0 | 0 | 118.6 | | |
| 56 | A | 39.1 | Very low | 35.7 | Very low | 77 Ų | 77 | 133.3 Ų | 133.3 | 64% | 0.636 | 78% | 0.776 | S | S | * | * | | | cis | -175.2 | 155.6 | -16.9 | 0 | 0 | 0 | 0 | 0 | 106 | | |
| 57 | S | 39 | Very low | 35.4 | Very low | 121 Ų | 121 | 133 Ų | 133 | 85% | 0.846 | 78% | 0.779 | S | S | * | * | | | trans | 68.7 | 152 | 156.5 | 73.1 | 0 | 0 | 0 | 0 | 118.5 | | |
| 58 | S | 37.3 | Very low | 34.9 | Very low | 107 Ų | 107 | 131.9 Ų | 131.9 | 75% | 0.748 | 78% | 0.778 | S | S | * | * | | | cis | -178.8 | 147.5 | -23.6 | -179.1 | 0 | 0 | 0 | 0 | 105.5 | | |
| 59 | S | 36 | Very low | 34.6 | Very low | 98 Ų | 98 | 131 Ų | 131 | 69% | 0.685 | 78% | 0.78 | S | S | * | * | | | trans | 90.3 | 133.8 | 154.1 | 86.3 | 0 | 0 | 0 | 0 | 121.3 | | |
| 60 | R | 36.2 | Very low | 34.2 | Very low | 236 Ų | 236 | 131.2 Ų | 131.2 | 89% | 0.891 | 78% | 0.776 | S | S | * | * | | | trans | 101.3 | 96 | 159.6 | -65.6 | -177.8 | -144.4 | -158 | 3.3 | 119 | | |
| 61 | F | 30.6 | Very low | 33.8 | Very low | 199 Ų | 199 | 128.9 Ų | 128.9 | 87% | 0.873 | 77% | 0.767 | S | S | * | * | | | trans | -51.3 | -178.6 | 146.7 | -69.1 | -88.5 | 0 | 0 | 0 | 113.5 | | |
| 62 | P | 37.1 | Very low | 33.3 | Very low | 107 Ų | 107 | 128.6 Ų | 128.6 | 70% | 0.695 | 76% | 0.76 | S | S | * | * | | | | -126 | 173.2 | -52.3 | 35.4 | -19.6 | 0 | 0 | 0 | 110.7 | | |
| 63 | L | 32.6 | Very low | 33 | Very low | 154 Ų | 154 | 128.6 Ų | 128.6 | 81% | 0.806 | 76% | 0.76 | S | S | * | * | | | trans | 158.4 | 119 | 141.1 | -85.5 | 161.2 | 0 | 0 | 0 | 111.3 | | |
| 64 | T | 28.3 | Very low | 32.6 | Very low | 135 Ų | 135 | 129.8 Ų | 129.8 | 83% | 0.828 | 76% | 0.762 | S | S | * | * | | | trans | 34.4 | 104.5 | 147 | 52.6 | 0 | 0 | 0 | 0 | 119.1 | | |
| 65 | S | 30.5 | Very low | 32.2 | Very low | 110 Ų | 110 | 130.7 Ų | 130.7 | 77% | 0.769 | 77% | 0.767 | S | S | * | * | | | trans | -144.8 | 134.2 | 137.9 | 84.1 | 0 | 0 | 0 | 0 | 110.7 | | |
| 66 | M | 26.4 | Very low | 31.9 | Very low | 181 Ų | 181 | 131.4 Ų | 131.4 | 89% | 0.892 | 77% | 0.769 | S | S | * | * | | | trans | -59.1 | 135.3 | 174.5 | -55.1 | 176 | 79 | 0 | 0 | 110.4 | | |
| 67 | T | 31.5 | Very low | 31.3 | Very low | 136 Ų | 136 | 137.9 Ų | 137.9 | 83% | 0.834 | 78% | 0.779 | S | S | * | * | | | trans | -145.3 | 124.2 | 155.7 | 28.5 | 0 | 0 | 0 | 0 | 109.9 | | |
| 68 | V | 30.1 | Very low | 31 | Very low | 114 Ų | 114 | 136.2 Ų | 136.2 | 69% | 0.691 | 77% | 0.765 | S | S | * | * | | | trans | -71.1 | 141.7 | -178.4 | -175 | 0 | 0 | 0 | 0 | 109.4 | V70 | V68-V70 PolarHBondContact O-N 2.69Å; V68-V70 VanDerWaalsContact O-N 3.09Å |
| 69 | P | 30.5 | Very low | 30.6 | Very low | 124 Ų | 124 | 137.6 Ų | 137.6 | 81% | 0.805 | 76% | 0.762 | S | S | * | * | | | trans | -74.1 | 100 | 158.9 | 30.1 | -26.8 | 0 | 0 | 0 | 107.3 | S71 | P69-S71 PolarHBondContact O-N 3.3Š|
| 70 | V | 30.4 | Very low | 30.3 | Very low | 119 Ų | 119 | 140.9 Ų | 140.9 | 72% | 0.721 | 77% | 0.767 | S | S | * | * | | | trans | -61.7 | 120.3 | 169.1 | 170.1 | 0 | 0 | 0 | 0 | 108.1 | V68 T72 | V68-V70 PolarHBondContact O-N 2.69Å; V68-V70 VanDerWaalsContact O-N 3.09Å; V70-T72 PolarHBondContact O-N 3.32Å |
| 71 | S | 26.8 | Very low | 29.9 | Very low | 95 Ų | 95 | 136.1 Ų | 136.1 | 66% | 0.664 | 76% | 0.764 | S | S | * | * | | | trans | -71.8 | 115.2 | 166.5 | 59.7 | 0 | 0 | 0 | 0 | 109.2 | P69 S73 | P69-S71 PolarHBondContact O-N 3.3Å; S71-S73 VanDerWaalsContact C-N 3.33Å; S71-S73 PolarHBondContact O-N 3.3Å; S71-S73 VanDerWaalsContact O-N 3.15Å |
| 72 | T | 31.7 | Very low | 29.9 | Very low | 117 Ų | 117 | 134.2 Ų | 134.2 | 72% | 0.718 | 76% | 0.762 | S | S | * | * | | | trans | -82.1 | 86 | 165.5 | 50.5 | 0 | 0 | 0 | 0 | 108.4 | V70 | V70-T72 PolarHBondContact O-N 3.32Š|
| 73 | S | 27 | Very low | 29.7 | Very low | 97 Ų | 97 | 138 Ų | 138 | 68% | 0.678 | 77% | 0.771 | S | S | * | * | | | trans | -94 | 79.3 | 161.7 | -48.4 | 0 | 0 | 0 | 0 | 106.9 | S71 V75 | S71-S73 VanDerWaalsContact C-N 3.33Å; S71-S73 PolarHBondContact O-N 3.3Å; S71-S73 VanDerWaalsContact O-N 3.15Å; S73-V75 PolarHBondContact O-N 3.22Å |
| 74 | D | 30 | Very low | 29.8 | Very low | 146 Ų | 146 | 135.6 Ų | 135.6 | 78% | 0.781 | 77% | 0.766 | S | S | * | * | | | trans | -80.4 | 118.7 | 177.4 | -77.6 | -34.6 | 0 | 0 | 0 | 110.8 | | |
| 75 | V | 27.4 | Very low | 30.1 | Very low | 125 Ų | 125 | 137 Ų | 137 | 76% | 0.758 | 76% | 0.763 | S | S | * | * | | | trans | -66.3 | 125.2 | 178.4 | 172 | 0 | 0 | 0 | 0 | 110.3 | S73 | S73-V75 PolarHBondContact O-N 3.22Š|
| 76 | I | 31.1 | Very low | 30.2 | Very low | 162 Ų | 162 | 141.1 Ų | 141.1 | 83% | 0.831 | 77% | 0.768 | S | S | * | * | | | trans | -135.1 | 93.5 | 158.4 | -54.5 | 179.6 | 0 | 0 | 0 | 108.8 | | |
| 77 | Y | 26.7 | Very low | 30.5 | Very low | 213 Ų | 213 | 140.5 Ų | 140.5 | 84% | 0.835 | 76% | 0.76 | S | S | * | * | | | trans | -93 | 151.3 | 141.1 | -90.2 | -79.7 | 0 | 0 | 0 | 105.6 | | |
| 78 | P | 33.1 | Very low | 30.7 | Very low | 86 Ų | 86 | 141.3 Ų | 141.3 | 56% | 0.558 | 76% | 0.755 | S | S | * | * | | | | -159.4 | -174.3 | 68.3 | 33.3 | -6.4 | 0 | 0 | 0 | 117.8 | | |
| 79 | I | 28.4 | Very low | 31 | Very low | 136 Ų | 136 | 145.1 Ų | 145.1 | 70% | 0.697 | 76% | 0.757 | S | S | * | * | | | trans | 89.1 | 96.3 | 150.7 | -36.8 | -178.2 | 0 | 0 | 0 | 118.7 | | |
| 80 | H | 30 | Very low | 31.3 | Very low | 167 Ų | 167 | 144.1 Ų | 144.1 | 77% | 0.773 | 74% | 0.741 | S | S | * | * | | | | -172.1 | 77.7 | 118.6 | -108 | -84.3 | 0 | 0 | 0 | 109.9 | | |
| 81 | T | 27.7 | Very low | 31.7 | Very low | 136 Ų | 136 | 144.1 Ų | 144.1 | 83% | 0.834 | 74% | 0.736 | S | S | * | * | | | trans | -119.1 | 83.5 | 165.2 | 44.7 | 0 | 0 | 0 | 0 | 107.8 | | |
| 82 | L | 30.7 | Very low | 32.3 | Very low | 158 Ų | 158 | 148 Ų | 148 | 83% | 0.827 | 74% | 0.744 | S | S | * | * | | | trans | -147.1 | 53.8 | 172.2 | -79.9 | 177.4 | 0 | 0 | 0 | 109.9 | | |
| 83 | E | 33.3 | Very low | 32.6 | Very low | 188 Ų | 188 | 152.3 Ų | 152.3 | 88% | 0.879 | 75% | 0.747 | S | S | * | * | S | Bend | trans | -144.3 | 0.8 | 169.9 | -108.6 | 175.5 | -168.5 | 0 | 0 | 114.7 | | |
| 84 | S | 34.5 | Very low | 33 | Very low | 102 Ų | 102 | 156.6 Ų | 156.6 | 71% | 0.713 | 75% | 0.748 | S | S | * | * | S | Bend | trans | -114.7 | 8.5 | -175.8 | -50.5 | 0 | 0 | 0 | 0 | 115.1 | | |
| 85 | Q | 34 | Very low | 33 | Very low | 164 Ų | 164 | 153.3 Ų | 153.3 | 77% | 0.766 | 75% | 0.749 | S | S | * | * | S | Bend | trans | -106.6 | 6.5 | 178.3 | -72.8 | -165.1 | -6.7 | 0 | 0 | 114.9 | | |
| 86 | F | 33.2 | Very low | 33.2 | Very low | 198 Ų | 198 | 155.3 Ų | 155.3 | 87% | 0.868 | 76% | 0.755 | S | S | * | * | S | Bend | trans | -109.2 | -6.4 | 177.6 | -96.5 | -87.7 | 0 | 0 | 0 | 114.8 | | |
| 87 | F | 33.2 | Very low | 33.4 | Very low | 167 Ų | 167 | 156.8 Ų | 156.8 | 73% | 0.732 | 76% | 0.758 | S | S | * | * | S | Bend | trans | -100.1 | -20.6 | -177.2 | -147.6 | -99.8 | 0 | 0 | 0 | 113.9 | I91 | F87-I91 HydrophobicContact CD1-CD1 4.23Å; F87-I91 HydrophobicContact CE1-CD1 4.23Å |
| 88 | E | 35.3 | Very low | 33.5 | Very low | 154 Ų | 154 | 155.9 Ų | 155.9 | 72% | 0.72 | 76% | 0.761 | S | S | * | * | S | Bend | trans | -91.3 | -14.8 | -177.7 | -70.8 | -171.5 | 159.8 | 0 | 0 | 114.3 | | |
| 89 | R | 35.2 | Very low | 33.5 | Very low | 194 Ų | 194 | 157.4 Ų | 157.4 | 73% | 0.732 | 77% | 0.774 | S | S | * | * | S | Bend | trans | -91.3 | -4.9 | 179.4 | -81.2 | -174.3 | -173.7 | 154.6 | 3.7 | 115.9 | | |
| 90 | E | 36.7 | Very low | 33.5 | Very low | 102 Ų | 102 | 160.3 Ų | 160.3 | 48% | 0.477 | 78% | 0.784 | S | S | . | * | S | Bend | trans | -100.2 | -15 | 178.3 | -161.9 | 61.9 | -157.7 | 0 | 0 | 112.5 | R94 | E90-R94 IonicContact OE1-NE 3.37Å; E90-R94 IonicContact OE1-NH2 3.37Å |
| 91 | I | 40.6 | Very low | 33.3 | Very low | 120 Ų | 120 | 155.6 Ų | 155.6 | 62% | 0.615 | 78% | 0.781 | S | S | * | * | S | Bend | trans | -86.1 | -23 | -177.1 | -63.3 | 175.5 | 0 | 0 | 0 | 112 | F87 | F87-I91 HydrophobicContact CD1-CD1 4.23Å; F87-I91 HydrophobicContact CE1-CD1 4.23Å |
| 92 | E | 39.2 | Very low | 33.2 | Very low | 177 Ų | 177 | 156.9 Ų | 156.9 | 83% | 0.827 | 78% | 0.782 | S | S | * | * | S | Bend | trans | -86.8 | -11.7 | 175.3 | -70.7 | -177.5 | 152.2 | 0 | 0 | 114.2 | | |
| 93 | R | 37.4 | Very low | 33 | Very low | 206 Ų | 206 | 160.4 Ų | 160.4 | 78% | 0.777 | 79% | 0.786 | S | S | * | * | S | Bend | trans | -90 | -14.1 | -179 | -99.6 | -165.7 | 174.3 | 114.3 | -0.4 | 115.1 | | |
| 94 | R | 34.6 | Very low | 32.8 | Very low | 187 Ų | 187 | 157.7 Ų | 157.7 | 71% | 0.706 | 78% | 0.776 | S | S | * | * | | | trans | -115.7 | 73.6 | -179.4 | -62.7 | -171.8 | -171 | -176.5 | 4.6 | 109.8 | E90 L96 | E90-R94 IonicContact OE1-NE 3.37Å; E90-R94 IonicContact OE1-NH2 3.37Å; R94-L96 PolarHBondContact O-N 3.39Å |
| 95 | G | 30.3 | Very low | 32.4 | Very low | 78 Ų | 78 | 161.5 Ų | 161.5 | 80% | 0.804 | 78% | 0.782 | S | S | * | * | | | trans | -61 | 102.7 | 171.3 | 0 | 0 | 0 | 0 | 0 | 110.6 | | |
| 96 | L | 33.1 | Very low | 32.2 | Very low | 167 Ų | 167 | 158.4 Ų | 158.4 | 87% | 0.874 | 78% | 0.779 | S | S | * | * | | | trans | -139.3 | 126.9 | 164.4 | -90.7 | 164.5 | 0 | 0 | 0 | 109.5 | R94 | R94-L96 PolarHBondContact O-N 3.39Š|
| 97 | Q | 35.3 | Very low | 31.9 | Very low | 193 Ų | 193 | 154.2 Ų | 154.2 | 90% | 0.902 | 77% | 0.77 | S | S | * | * | | | trans | -66.9 | 154.8 | -170.5 | -65.5 | -175.4 | -31.6 | 0 | 0 | 112.8 | | |
| 98 | H | 27.3 | Very low | 31.6 | Very low | 193 Ų | 193 | 151.5 Ų | 151.5 | 89% | 0.894 | 77% | 0.769 | S | S | * | * | | | trans | -57.9 | 137.6 | 177 | -68.4 | 24 | 0 | 0 | 0 | 112.3 | | |
| 99 | S | 32.6 | Very low | 31.3 | Very low | 118 Ų | 118 | 151 Ų | 151 | 83% | 0.825 | 77% | 0.77 | S | S | * | * | | | trans | -141.2 | 140.2 | 151.7 | 62.7 | 0 | 0 | 0 | 0 | 110.2 | | |
| 100 | E | 29 | Very low | 30.9 | Very low | 197 Ų | 197 | 146.4 Ų | 146.4 | 92% | 0.921 | 77% | 0.766 | S | S | * | * | | | trans | -65.5 | 151.6 | -165.8 | -58.3 | 165.2 | 146 | 0 | 0 | 114.3 | | |
| 101 | G | 26.3 | Very low | 30.5 | Very low | 69 Ų | 69 | 150.5 Ų | 150.5 | 71% | 0.711 | 79% | 0.786 | S | S | * | * | | | trans | 85.7 | 98.9 | 148.3 | 0 | 0 | 0 | 0 | 0 | 117.7 | | |
| 102 | L | 26.2 | Very low | 29.9 | Very low | 162 Ų | 162 | 153.2 Ų | 153.2 | 85% | 0.848 | 80% | 0.795 | S | S | * | * | | | trans | 162.4 | 84.7 | 139.9 | -92.6 | 148.4 | 0 | 0 | 0 | 108.7 | I104 | L102-I104 PolarHBondContact O-N 3.04Š|
| 103 | Y | 24.6 | Very low | 29.3 | Very low | 233 Ų | 233 | 154 Ų | 154 | 91% | 0.914 | 80% | 0.797 | S | S | * | * | | | trans | -84.7 | 98 | 166 | -123.7 | -89.7 | 0 | 0 | 0 | 107.9 | E105 | Y103-E105 PolarHBondContact O-N 3.21Š|
| 104 | I | 30.4 | Very low | 28.9 | Very low | 131 Ų | 131 | 153.5 Ų | 153.5 | 67% | 0.672 | 80% | 0.8 | S | S | * | * | | | trans | -70.9 | 117.8 | 162.4 | -62.8 | 172.2 | 0 | 0 | 0 | 105.9 | L102 S106 | L102-I104 PolarHBondContact O-N 3.04Å; I104-S106 VanDerWaalsContact C-N 3.33Å; I104-S106 PolarHBondContact O-N 3.46Å; I104-S106 PolarHBondContact O-OG 3.38Å |
| 105 | E | 25 | Very low | 28.7 | Very low | 181 Ų | 181 | 152 Ų | 152 | 85% | 0.846 | 81% | 0.806 | S | S | * | * | | | trans | -52.8 | 95.9 | 170.6 | -79.9 | -177.8 | 147.2 | 0 | 0 | 109.6 | Y103 | Y103-E105 PolarHBondContact O-N 3.21Š|
| 106 | S | 29.8 | Very low | 28.6 | Very low | 100 Ų | 100 | 155.5 Ų | 155.5 | 70% | 0.699 | 81% | 0.805 | S | S | * | * | | | trans | -104.8 | 89.7 | 166.3 | 24 | 0 | 0 | 0 | 0 | 106 | I104 P108 | I104-S106 VanDerWaalsContact C-N 3.33Å; I104-S106 PolarHBondContact O-N 3.46Å; I104-S106 PolarHBondContact O-OG 3.38Å; S106-P108 WeakPolarHBondContact O-CD 3.37Å |
| 107 | T | 28.2 | Very low | 28.2 | Very low | 110 Ų | 110 | 155 Ų | 155 | 68% | 0.675 | 80% | 0.802 | S | S | * | * | | | trans | -53.5 | 122.2 | 168.8 | 39.3 | 0 | 0 | 0 | 0 | 109.4 | I109 | T107-I109 VanDerWaalsContact C-N 3.33Å; T107-I109 PolarHBondContact O-N 3.09Å; T107-I109 VanDerWaalsContact O-N 3.08Å |
| 108 | P | 27.5 | Very low | 27.9 | Very low | 110 Ų | 110 | 156.6 Ų | 156.6 | 71% | 0.714 | 80% | 0.802 | S | S | * | * | | | trans | -73.9 | 101.6 | 156.3 | 29.8 | -24.8 | 0 | 0 | 0 | 105.4 | S106 C110 | S106-P108 WeakPolarHBondContact O-CD 3.37Å; P108-C110 PolarHBondContact O-N 3.36Å |
| 109 | I | 27.6 | Very low | 27.9 | Very low | 142 Ų | 142 | 156.2 Ų | 156.2 | 73% | 0.728 | 80% | 0.798 | S | S | * | * | | | trans | -60.2 | 87.6 | 156.9 | -63.1 | 169.8 | 0 | 0 | 0 | 105.1 | T107 Q111 | T107-I109 VanDerWaalsContact C-N 3.33Å; T107-I109 PolarHBondContact O-N 3.09Å; T107-I109 VanDerWaalsContact O-N 3.08Å; I109-Q111 PolarHBondContact O-N 3.11Å |
| 110 | C | 26.3 | Very low | 27.6 | Very low | 98 Ų | 98 | 154.1 Ų | 154.1 | 66% | 0.662 | 78% | 0.783 | S | S | * | * | | | trans | -66.4 | 95.7 | 174.5 | -76.4 | 0 | 0 | 0 | 0 | 108.6 | P108 E112 | P108-C110 PolarHBondContact O-N 3.36Å; C110-E112 VanDerWaalsContact C-N 3.33Å; C110-E112 PolarHBondContact O-N 2.79Å |
| 111 | Q | 29.1 | Very low | 27.6 | Very low | 189 Ų | 189 | 153.3 Ų | 153.3 | 88% | 0.883 | 78% | 0.779 | S | S | * | * | S | Bend | | 42.8 | 39.8 | 129.3 | -72.6 | 178.8 | -30.2 | 0 | 0 | 119.1 | I109 | I109-Q111 PolarHBondContact O-N 3.11Š|
| 112 | E | 27.8 | Very low | 27.7 | Very low | 176 Ų | 176 | 155.2 Ų | 155.2 | 82% | 0.822 | 78% | 0.781 | S | S | * | * | | | trans | -111.2 | 62.5 | 158.8 | -81 | -172.8 | 157.1 | 0 | 0 | 110.3 | C110 | C110-E112 VanDerWaalsContact C-N 3.33Å; C110-E112 PolarHBondContact O-N 2.79Å |
| 113 | F | 25.9 | Very low | 27.9 | Very low | 194 Ų | 194 | 155.2 Ų | 155.2 | 85% | 0.851 | 78% | 0.777 | S | S | * | * | | | trans | -144.2 | 48.9 | 173 | -91.8 | -76.4 | 0 | 0 | 0 | 112.6 | | |
| 114 | K | 30.8 | Very low | 28 | Very low | 195 Ų | 195 | 155.2 Ų | 155.2 | 85% | 0.848 | 78% | 0.776 | S | S | * | * | S | Bend | trans | -128.5 | 120.7 | 159.3 | -102.4 | -179.3 | 175.9 | 177.7 | 0 | 109.3 | | |
| 115 | N | 30.2 | Very low | 28 | Very low | 157 Ų | 157 | 158.4 Ų | 158.4 | 84% | 0.84 | 79% | 0.787 | S | S | * | * | S | Bend | trans | 107.5 | 32.9 | 170.4 | -51.7 | -12.7 | 0 | 0 | 0 | 117.4 | | |
| 116 | I | 26.7 | Very low | 28.2 | Very low | 151 Ų | 151 | 156.3 Ų | 156.3 | 77% | 0.774 | 79% | 0.787 | S | S | * | * | S | Bend | trans | -109.4 | 134.7 | 144.4 | -59.2 | 176.4 | 0 | 0 | 0 | 105.6 | | |
| 117 | L | 26.7 | Very low | 28.4 | Very low | 156 Ų | 156 | 156.6 Ų | 156.6 | 82% | 0.817 | 79% | 0.786 | S | S | * | * | | | trans | 88.7 | 86.7 | -172.4 | -48.4 | 173.9 | 0 | 0 | 0 | 113.9 | | |
| 118 | Y | 28.8 | Very low | 28.3 | Very low | 227 Ų | 227 | 155.9 Ų | 155.9 | 89% | 0.89 | 79% | 0.786 | S | S | * | * | | | | -171.1 | 110.8 | 109.8 | -110.7 | -88.2 | 0 | 0 | 0 | 110.4 | | |
| 119 | F | 27.5 | Very low | 28.7 | Very low | 185 Ų | 185 | 158.9 Ų | 158.9 | 81% | 0.811 | 79% | 0.79 | S | S | * | * | | | trans | -27.5 | 151.2 | 140.6 | -111.8 | -121.1 | 0 | 0 | 0 | 111.8 | | |
| 120 | S | 25.7 | Very low | 28.8 | Very low | 73 Ų | 73 | 158.1 Ų | 158.1 | 51% | 0.51 | 79% | 0.792 | S | S | . | * | | | cis | 172.3 | 156.4 | 1.9 | 55 | 0 | 0 | 0 | 0 | 106.3 | | |
| 121 | Q | 28.9 | Very low | 28.7 | Very low | 180 Ų | 180 | 161.7 Ų | 161.7 | 84% | 0.841 | 80% | 0.801 | S | S | * | * | | | trans | 73.5 | 132 | 160.8 | -57.3 | 172.6 | 14.4 | 0 | 0 | 114.6 | | |
| 122 | S | 28.5 | Very low | 28.6 | Very low | 109 Ų | 109 | 162 Ų | 162 | 76% | 0.762 | 80% | 0.802 | S | S | * | * | | | cis | -170.1 | 139 | 36.8 | 39.2 | 0 | 0 | 0 | 0 | 111.4 | | |
| 123 | Q | 29.2 | Very low | 28.4 | Very low | 162 Ų | 162 | 160.1 Ų | 160.1 | 76% | 0.757 | 80% | 0.797 | S | S | * | * | | | trans | 52.3 | 112.6 | 139.3 | -57 | -156.6 | -4.4 | 0 | 0 | 123.9 | | |
| 124 | R | 26.7 | Very low | 28.7 | Very low | 234 Ų | 234 | 156 Ų | 156 | 88% | 0.883 | 79% | 0.792 | S | S | * | * | | | trans | 2 | 139.9 | 141 | -60.2 | -179.1 | -166.7 | -143.9 | 0.4 | 119.7 | | |
| 125 | Q | 30.4 | Very low | 28.4 | Very low | 197 Ų | 197 | 152 Ų | 152 | 92% | 0.921 | 78% | 0.784 | S | S | * | * | | | | -156.7 | 134.8 | 126.6 | -103.3 | 173.2 | 19 | 0 | 0 | 111.8 | | |
| 126 | V | 30.9 | Very low | 28.2 | Very low | 137 Ų | 137 | 150.7 Ų | 150.7 | 83% | 0.83 | 78% | 0.781 | S | S | * | * | | | trans | -120.5 | 172.9 | 160.8 | -144.8 | 0 | 0 | 0 | 0 | 103.8 | | |
| 127 | P | 34.1 | Very low | 28.3 | Very low | 107 Ų | 107 | 149.3 Ų | 149.3 | 70% | 0.695 | 78% | 0.78 | S | S | * | * | | | cis | -150.2 | -163.3 | 8.5 | 40.6 | -15.9 | 0 | 0 | 0 | 117.2 | | |
| 128 | S | 26 | Very low | 28.2 | Very low | 94 Ų | 94 | 151.2 Ų | 151.2 | 66% | 0.657 | 78% | 0.782 | S | S | * | * | | | trans | 100.3 | 130.4 | 140.9 | 71.4 | 0 | 0 | 0 | 0 | 122.3 | | |
| 129 | H | 34.3 | Very low | 28.2 | Very low | 173 Ų | 173 | 145.2 Ų | 145.2 | 80% | 0.801 | 78% | 0.78 | S | S | * | * | | | trans | 176.4 | 100.9 | 137.5 | -91.4 | -62.8 | 0 | 0 | 0 | 109.1 | | |
| 130 | T | 29.9 | Very low | 28.3 | Very low | 127 Ų | 127 | 139.7 Ų | 139.7 | 78% | 0.779 | 78% | 0.775 | S | S | * | * | | | | 82.9 | 127.6 | 82.1 | 52.4 | 0 | 0 | 0 | 0 | 116.1 | | |
| 131 | M | 23.7 | Very low | 28.5 | Very low | 172 Ų | 172 | 141.9 Ų | 141.9 | 85% | 0.847 | 79% | 0.79 | S | S | * | * | | | trans | -68 | 149.5 | 177.6 | -68.7 | -173.1 | 161.3 | 0 | 0 | 113.7 | | |
| 132 | E | 28.9 | Very low | 28.7 | Very low | 195 Ų | 195 | 138.9 Ų | 138.9 | 91% | 0.911 | 79% | 0.789 | S | S | * | * | | | trans | -135.6 | 135.3 | 145 | -78.9 | -167.7 | 160.6 | 0 | 0 | 111.2 | | |
| 133 | I | 23.4 | Very low | 29 | Very low | 137 Ų | 137 | 141.2 Ų | 141.2 | 70% | 0.703 | 79% | 0.788 | S | S | * | * | | | trans | -96.5 | 134.9 | 178.5 | -68.2 | 165.2 | 0 | 0 | 0 | 107.4 | T135 | I133-T135 HydrophobicContact CG2-CG2 4.2Š|
| 134 | S | 31.3 | Very low | 29.1 | Very low | 109 Ų | 109 | 142.1 Ų | 142.1 | 76% | 0.762 | 79% | 0.789 | S | S | * | * | | | trans | -156.5 | 86.9 | 159 | -65.7 | 0 | 0 | 0 | 0 | 107.7 | | |
| 135 | T | 25.6 | Very low | 29.5 | Very low | 110 Ų | 110 | 136.3 Ų | 136.3 | 68% | 0.675 | 78% | 0.782 | S | S | * | * | | | | 55.4 | 118.6 | 95.7 | 57.5 | 0 | 0 | 0 | 0 | 116.1 | I133 | I133-T135 HydrophobicContact CG2-CG2 4.2Š|
| 136 | V | 25.4 | Very low | 29.5 | Very low | 129 Ų | 129 | 133.4 Ų | 133.4 | 78% | 0.782 | 78% | 0.777 | S | S | * | * | | | trans | 67.1 | 139.1 | 150.8 | -121.2 | 0 | 0 | 0 | 0 | 117.2 | | |
| 137 | T | 27.7 | Very low | 29.7 | Very low | 122 Ų | 122 | 131.5 Ų | 131.5 | 75% | 0.748 | 77% | 0.768 | S | S | * | * | | | cis | -164.6 | 159.8 | 20.1 | -29.4 | 0 | 0 | 0 | 0 | 109.8 | | |
| 138 | F | 25.2 | Very low | 29.3 | Very low | 197 Ų | 197 | 137.2 Ų | 137.2 | 86% | 0.864 | 78% | 0.777 | S | S | * | * | | | trans | -32.7 | 142.7 | 172.3 | -83.6 | -109.5 | 0 | 0 | 0 | 119.1 | | |
| 139 | A | 30 | Very low | 29.5 | Very low | 101 Ų | 101 | 140 Ų | 140 | 84% | 0.835 | 78% | 0.783 | S | S | * | * | | | | 152.2 | 140.4 | 105.9 | 0 | 0 | 0 | 0 | 0 | 111.8 | | |
| 140 | G | 29.7 | Very low | 29.3 | Very low | 68 Ų | 68 | 136.3 Ų | 136.3 | 70% | 0.701 | 78% | 0.777 | S | S | * | * | | | trans | 103.4 | 93.9 | 152.5 | 0 | 0 | 0 | 0 | 0 | 117 | | |
| 141 | S | 28.6 | Very low | 29.3 | Very low | 120 Ų | 120 | 140.1 Ų | 140.1 | 84% | 0.839 | 78% | 0.782 | S | S | * | * | | | trans | 22.6 | 120.5 | 133.1 | 60.1 | 0 | 0 | 0 | 0 | 119 | | |
| 142 | S | 32.8 | Very low | 29.5 | Very low | 117 Ų | 117 | 138.9 Ų | 138.9 | 82% | 0.818 | 78% | 0.778 | S | S | * | * | | | | -171.3 | 124.2 | 107.5 | -166.2 | 0 | 0 | 0 | 0 | 111.4 | | |
| 143 | Q | 34.4 | Very low | 29.5 | Very low | 157 Ų | 157 | 133.4 Ų | 133.4 | 73% | 0.734 | 77% | 0.774 | S | S | * | * | | | trans | -42 | 152.9 | 153.7 | -66.5 | 172.7 | 1.8 | 0 | 0 | 111 | | |
| 144 | K | 32.2 | Very low | 29.8 | Very low | 182 Ų | 182 | 134.5 Ų | 134.5 | 79% | 0.791 | 78% | 0.776 | S | S | * | * | | | | -175.3 | 166.5 | 56.9 | -127.7 | 155.6 | -167.8 | -167.3 | 0 | 110.4 | | |
| 145 | P | 35.1 | Very low | 29.8 | Very low | 111 Ų | 111 | 137.1 Ų | 137.1 | 72% | 0.721 | 78% | 0.776 | S | S | * | * | | | trans | -107.5 | 176.5 | -170.4 | 40.3 | -26.7 | 0 | 0 | 0 | 113.1 | | |
| 146 | V | 31.4 | Very low | 30.1 | Very low | 137 Ų | 137 | 138.7 Ų | 138.7 | 83% | 0.83 | 78% | 0.776 | S | S | * | * | | | trans | -153.9 | 149.2 | 170.6 | -153.2 | 0 | 0 | 0 | 0 | 109.1 | | |
| 147 | P | 34.5 | Very low | 30.6 | Very low | 97 Ų | 97 | 140 Ų | 140 | 63% | 0.63 | 77% | 0.771 | S | S | * | * | | | | -136.6 | 154.3 | -60.1 | 37.9 | -21.4 | 0 | 0 | 0 | 112.7 | I149 | P147-I149 HydrophobicContact CG-CG1 4.46Š|
| 148 | Y | 25.8 | Very low | 30.7 | Very low | 227 Ų | 227 | 140 Ų | 140 | 89% | 0.89 | 77% | 0.771 | S | S | * | * | | | trans | -93.9 | 123 | 153.7 | -149.7 | -96.9 | 0 | 0 | 0 | 106.5 | S150 | Y148-S150 PolarHBondContact O-N 3Š|
| 149 | I | 30.5 | Very low | 31.1 | Very low | 151 Ų | 151 | 139.2 Ų | 139.2 | 77% | 0.774 | 77% | 0.77 | S | S | * | * | | | trans | -87.8 | 100 | 178.5 | -61.5 | 174.7 | 0 | 0 | 0 | 108.2 | P147 | P147-I149 HydrophobicContact CG-CG1 4.46Š|
| 150 | S | 28.9 | Very low | 31 | Very low | 97 Ų | 97 | 139.1 Ų | 139.1 | 68% | 0.678 | 76% | 0.763 | S | S | * | * | P | Polyproline II helix | trans | -97.1 | 128.1 | 156.9 | 39.1 | 0 | 0 | 0 | 0 | 108.7 | Y148 I152 | Y148-S150 PolarHBondContact O-N 3Å; S150-I152 PolarHBondContact O-N 2.81Å |
| 151 | K | 29.5 | Very low | 30.8 | Very low | 206 Ų | 206 | 141.1 Ų | 141.1 | 90% | 0.896 | 77% | 0.765 | S | S | * | * | P | Polyproline II helix | trans | -63.2 | 122.4 | 175.9 | -75.1 | 176.8 | 175.1 | 177.3 | 0 | 110 | | |
| 152 | I | 28.7 | Very low | 30.9 | Very low | 147 Ų | 147 | 143 Ų | 143 | 75% | 0.754 | 76% | 0.764 | S | S | * | * | P | Polyproline II helix | trans | -100.5 | 126.2 | 159.2 | -62.5 | 172.6 | 0 | 0 | 0 | 106.4 | S150 E154 | S150-I152 PolarHBondContact O-N 2.81Å; I152-E154 HydrophobicContact CG2-CG 3.99Å |
| 153 | G | 28.9 | Very low | 30.5 | Very low | 80 Ų | 80 | 143.4 Ų | 143.4 | 83% | 0.825 | 76% | 0.761 | S | S | * | * | | | trans | -130.5 | 100 | 160.7 | 0 | 0 | 0 | 0 | 0 | 106.4 | | |
| 154 | E | 30 | Very low | 30.3 | Very low | 159 Ų | 159 | 141.4 Ų | 141.4 | 74% | 0.743 | 76% | 0.762 | S | S | * | * | | | trans | -77.1 | 146.3 | 172.8 | -82.6 | 179.8 | 157.6 | 0 | 0 | 111 | I152 | I152-E154 HydrophobicContact CG2-CG 3.99Š|
| 155 | H | 30.6 | Very low | 30 | Very low | 164 Ų | 164 | 137.7 Ų | 137.7 | 76% | 0.759 | 76% | 0.759 | S | S | * | * | | | trans | 53.1 | 112.7 | 141.4 | -79.6 | -99.4 | 0 | 0 | 0 | 119 | | |
| 156 | E | 33.4 | Very low | 29.6 | Very low | 144 Ų | 144 | 137.3 Ų | 137.3 | 67% | 0.673 | 76% | 0.759 | S | S | * | * | | | | 173 | 142.8 | 90.7 | -85.7 | -155.4 | 140.1 | 0 | 0 | 111.8 | | |
| 157 | K | 34.7 | Very low | 29.6 | Very low | 157 Ų | 157 | 136 Ų | 136 | 68% | 0.683 | 76% | 0.756 | S | S | * | * | | | trans | 68.3 | 99.4 | 147.2 | -70.9 | 165.1 | -174.8 | 145.3 | 0 | 120.5 | | |
| 158 | T | 29.1 | Very low | 29.5 | Very low | 122 Ų | 122 | 139.1 Ų | 139.1 | 75% | 0.748 | 76% | 0.76 | S | S | * | * | | | | 30.9 | 136.9 | 117.6 | 54.1 | 0 | 0 | 0 | 0 | 121.3 | | |
| 159 | Q | 34.4 | Very low | 29.6 | Very low | 180 Ų | 180 | 138.4 Ų | 138.4 | 84% | 0.841 | 76% | 0.757 | S | S | * | * | | | trans | 82.9 | 95.2 | 159.8 | -68.6 | 177.6 | -11.3 | 0 | 0 | 115.6 | | |
| 160 | S | 28.3 | Very low | 29.6 | Very low | 98 Ų | 98 | 134.8 Ų | 134.8 | 69% | 0.685 | 76% | 0.757 | S | S | * | * | | | | 83.4 | 120.4 | 81 | 74 | 0 | 0 | 0 | 0 | 113.9 | | |
| 161 | C | 25.1 | Very low | 29.4 | Very low | 110 Ų | 110 | 139.1 Ų | 139.1 | 74% | 0.743 | 77% | 0.766 | S | S | * | * | | | trans | 91.7 | 117.7 | 147.7 | -59.6 | 0 | 0 | 0 | 0 | 119.6 | | |
| 162 | I | 30.9 | Very low | 29.6 | Very low | 161 Ų | 161 | 135.5 Ų | 135.5 | 83% | 0.826 | 76% | 0.764 | S | S | * | * | | | trans | 87.3 | 111 | 138.6 | -56.6 | 158.3 | 0 | 0 | 0 | 117.5 | | |
| 163 | T | 25.2 | Very low | 29.5 | Very low | 125 Ų | 125 | 131.2 Ų | 131.2 | 77% | 0.767 | 76% | 0.756 | S | S | * | * | | | trans | -56.7 | 150.8 | 160.6 | 51.6 | 0 | 0 | 0 | 0 | 111.8 | | |
| 164 | P | 29.3 | Very low | 29.6 | Very low | 114 Ų | 114 | 135.6 Ų | 135.6 | 74% | 0.74 | 76% | 0.759 | S | S | * | * | | | | -156 | 166.4 | 72.9 | 39 | -16.8 | 0 | 0 | 0 | 117.9 | | |
| 165 | S | 24.9 | Very low | 29.3 | Very low | 104 Ų | 104 | 137.4 Ų | 137.4 | 73% | 0.727 | 76% | 0.76 | S | S | * | * | | | trans | 9.3 | 137.2 | 153.2 | 60.5 | 0 | 0 | 0 | 0 | 122.4 | | |
| 166 | S | 28.5 | Very low | 29.2 | Very low | 104 Ų | 104 | 137.6 Ų | 137.6 | 73% | 0.727 | 76% | 0.761 | S | S | * | * | | | | 118.7 | 125.6 | 127.6 | 78.1 | 0 | 0 | 0 | 0 | 118.1 | | |
| 167 | S | 31.3 | Very low | 28.9 | Very low | 110 Ų | 110 | 138.5 Ų | 138.5 | 77% | 0.769 | 76% | 0.763 | S | S | * | * | | | trans | 68.5 | 150.1 | 152.6 | 97.5 | 0 | 0 | 0 | 0 | 116 | | |
| 168 | K | 31.5 | Very low | 28.5 | Very low | 162 Ų | 162 | 137.4 Ų | 137.4 | 70% | 0.704 | 77% | 0.769 | S | S | * | * | | | cis | -176.8 | 154 | 0.5 | -135.4 | 172.5 | 171.8 | -170.4 | 0 | 105.2 | | |
| 169 | Y | 28.9 | Very low | 28.5 | Very low | 212 Ų | 212 | 138 Ų | 138 | 83% | 0.831 | 77% | 0.773 | S | S | * | * | | | trans | 77.5 | 131.9 | 161.5 | -67.7 | -74 | 0 | 0 | 0 | 121.7 | | |
| 170 | G | 29.8 | Very low | 28.1 | Very low | 75 Ų | 75 | 134.8 Ų | 134.8 | 77% | 0.773 | 77% | 0.771 | S | S | * | * | | | trans | 148.3 | 72.6 | 155.3 | 0 | 0 | 0 | 0 | 0 | 115.2 | | |
| 171 | E | 25.2 | Very low | 28.1 | Very low | 187 Ų | 187 | 139.8 Ų | 139.8 | 87% | 0.874 | 78% | 0.775 | S | S | * | * | | | trans | -69.9 | 161.5 | 166.4 | -74.5 | -171 | 157.4 | 0 | 0 | 112.1 | | |
| 172 | P | 33.4 | Very low | 28.3 | Very low | 130 Ų | 130 | 141.8 Ų | 141.8 | 84% | 0.844 | 78% | 0.776 | S | S | * | * | | | | -129 | 134.3 | 121.1 | 33.7 | -23.7 | 0 | 0 | 0 | 112.5 | | |
| 173 | G | 27.2 | Very low | 28.4 | Very low | 57 Ų | 57 | 140.9 Ų | 140.9 | 59% | 0.588 | 77% | 0.768 | S | S | * | * | | | trans | -83.4 | 165.5 | -176.3 | 0 | 0 | 0 | 0 | 0 | 115.6 | | |
| 174 | I | 30 | Very low | 28.6 | Very low | 172 Ų | 172 | 143.2 Ų | 143.2 | 88% | 0.882 | 77% | 0.771 | S | S | * | * | | | trans | -135.2 | 120.1 | 156.8 | -60.9 | -179.3 | 0 | 0 | 0 | 106.6 | | |
| 175 | Y | 23.7 | Very low | 28.8 | Very low | 197 Ų | 197 | 146.4 Ų | 146.4 | 77% | 0.773 | 78% | 0.776 | S | S | * | * | | | trans | -67.7 | 154.9 | 179.2 | -75.4 | -103.5 | 0 | 0 | 0 | 111.8 | | |
| 176 | H | 28.5 | Very low | 29.1 | Very low | 168 Ų | 168 | 146.2 Ų | 146.2 | 78% | 0.778 | 77% | 0.774 | S | S | * | * | | | | -174.8 | 109.7 | 119.4 | -100.7 | -89.5 | 0 | 0 | 0 | 111.1 | | |
| 177 | F | 27.3 | Very low | 29.1 | Very low | 164 Ų | 164 | 152.5 Ų | 152.5 | 72% | 0.719 | 78% | 0.782 | S | S | * | * | | | trans | 38.8 | 111.2 | 149.4 | -59.7 | -94.1 | 0 | 0 | 0 | 121.9 | | |
| 178 | T | 25.1 | Very low | 29.1 | Very low | 133 Ų | 133 | 155.1 Ų | 155.1 | 82% | 0.816 | 79% | 0.786 | S | S | * | * | | | trans | -90 | 121.5 | 146.4 | 50 | 0 | 0 | 0 | 0 | 109.7 | | |
| 179 | T | 30.2 | Very low | 28.9 | Very low | 136 Ų | 136 | 153.2 Ų | 153.2 | 83% | 0.834 | 79% | 0.788 | S | S | * | * | | | trans | -95.4 | 105.7 | 161 | 45.8 | 0 | 0 | 0 | 0 | 109.4 | | |
| 180 | S | 26.5 | Very low | 29 | Very low | 112 Ų | 112 | 149 Ų | 149 | 78% | 0.783 | 79% | 0.787 | S | S | * | * | | | trans | -75.1 | 122.5 | 160.4 | -51 | 0 | 0 | 0 | 0 | 108.5 | | |
| 181 | R | 28.6 | Very low | 28.9 | Very low | 203 Ų | 203 | 152.6 Ų | 152.6 | 77% | 0.766 | 79% | 0.787 | S | S | * | * | | | trans | -115.9 | 108.6 | 161.5 | -168.4 | 169.3 | 178 | 155.3 | -4.4 | 107.8 | E183 | R181-E183 HydrophobicContact CG-CG 4.36Å; R181-E183 IonicContact CZ-OE1 3.83Å; R181-E183 IonicContact NE-OE1 2.82Å; R181-E183 PolarHBondContact NE-OE1 3.09Å; R181-E183 IonicContact NH2-OE1 3.52Å; R181-E183 PolarHBondContact NH2-OE1 2.83Å |
| 182 | I | 28.5 | Very low | 29.1 | Very low | 152 Ų | 152 | 153.9 Ų | 153.9 | 78% | 0.779 | 79% | 0.785 | S | S | * | * | | | trans | -72.3 | 115.1 | 163.9 | -66.1 | 165.6 | 0 | 0 | 0 | 105.7 | | |
| 183 | E | 32.5 | Very low | 28.7 | Very low | 141 Ų | 141 | 153.9 Ų | 153.9 | 66% | 0.659 | 78% | 0.783 | S | S | * | * | | | trans | -129.9 | 108.1 | 154.8 | -80.6 | 179.7 | -178.5 | 0 | 0 | 107.3 | R181 | R181-E183 HydrophobicContact CG-CG 4.36Å; R181-E183 IonicContact CZ-OE1 3.83Å; R181-E183 IonicContact NE-OE1 2.82Å; R181-E183 PolarHBondContact NE-OE1 3.09Å; R181-E183 IonicContact NH2-OE1 3.52Å; R181-E183 PolarHBondContact NH2-OE1 2.83Å |
| 184 | Q | 29.7 | Very low | 28.9 | Very low | 175 Ų | 175 | 154.8 Ų | 154.8 | 82% | 0.818 | 78% | 0.78 | S | S | * | * | | | trans | -62.6 | 133.8 | 156.3 | -67.8 | 174.2 | -47.3 | 0 | 0 | 107.1 | | |
| 185 | E | 32.9 | Very low | 28.8 | Very low | 181 Ų | 181 | 153.2 Ų | 153.2 | 85% | 0.846 | 78% | 0.778 | S | S | * | * | | | trans | -172.8 | 125.2 | 131.4 | -103.7 | 167.9 | -163.5 | 0 | 0 | 112.7 | | |
| 186 | S | 32.1 | Very low | 29.1 | Very low | 99 Ų | 99 | 148.2 Ų | 148.2 | 69% | 0.692 | 77% | 0.773 | S | S | * | * | | | trans | 46.8 | 109.5 | 145.2 | 55 | 0 | 0 | 0 | 0 | 121.4 | | |
| 187 | R | 27.8 | Very low | 29.1 | Very low | 237 Ų | 237 | 146.3 Ų | 146.3 | 89% | 0.894 | 77% | 0.773 | S | S | * | * | | | | 41.3 | 122.2 | 118.3 | -62.5 | 179.1 | -179.2 | -165.9 | -0.2 | 117.2 | | |
| 188 | I | 32.4 | Very low | 29.3 | Very low | 165 Ų | 165 | 142.6 Ų | 142.6 | 85% | 0.846 | 77% | 0.772 | S | S | * | * | | | | -175.2 | 115.1 | 118.4 | -85.3 | 145.1 | 0 | 0 | 0 | 108.5 | | |
| 189 | T | 25.7 | Very low | 29.7 | Very low | 122 Ų | 122 | 142.3 Ų | 142.3 | 75% | 0.748 | 78% | 0.776 | S | S | * | * | | | trans | -84 | 152.8 | 157 | 35 | 0 | 0 | 0 | 0 | 109.8 | | |
| 190 | P | 32.8 | Very low | 29.8 | Very low | 124 Ų | 124 | 139.2 Ų | 139.2 | 81% | 0.805 | 77% | 0.771 | S | S | * | * | | | trans | -119.1 | 113.7 | 140.3 | 30 | -17.2 | 0 | 0 | 0 | 110.6 | | |
| 191 | L | 27.1 | Very low | 29.9 | Very low | 149 Ų | 149 | 140.9 Ų | 140.9 | 78% | 0.78 | 77% | 0.771 | S | S | * | * | | | trans | -73.2 | 136.9 | 151.9 | -73.1 | 162.9 | 0 | 0 | 0 | 107.5 | | |
| 192 | Y | 29.4 | Very low | 30.1 | Very low | 214 Ų | 214 | 142.1 Ų | 142.1 | 84% | 0.839 | 78% | 0.777 | S | S | * | * | | | trans | -132 | 107.2 | 157.8 | -141.1 | -91.9 | 0 | 0 | 0 | 109.6 | | |
| 193 | T | 24.3 | Very low | 30.2 | Very low | 130 Ų | 130 | 138.9 Ų | 138.9 | 80% | 0.798 | 77% | 0.773 | S | S | * | * | | | trans | -131.1 | 118.6 | 164.2 | 46 | 0 | 0 | 0 | 0 | 107.1 | | |
| 194 | S | 31.2 | Very low | 30.1 | Very low | 76 Ų | 76 | 143.5 Ų | 143.5 | 53% | 0.531 | 79% | 0.785 | S | S | . | * | | | trans | -169.9 | 112.9 | 155.7 | 56.2 | 0 | 0 | 0 | 0 | 108 | | |
| 195 | V | 28.4 | Very low | 30.2 | Very low | 139 Ų | 139 | 144.7 Ų | 144.7 | 84% | 0.842 | 79% | 0.787 | S | S | * | * | | | | 76.3 | 126.4 | 91 | 171.6 | 0 | 0 | 0 | 0 | 109.2 | | |
| 196 | S | 30.4 | Very low | 30.1 | Very low | 93 Ų | 93 | 145 Ų | 145 | 65% | 0.65 | 79% | 0.788 | S | S | * | * | | | cis | -173 | 150.1 | 23.1 | -117.9 | 0 | 0 | 0 | 0 | 112.1 | | |
| 197 | T | 27.2 | Very low | 30.1 | Very low | 128 Ų | 128 | 146.2 Ų | 146.2 | 79% | 0.785 | 79% | 0.794 | S | S | * | * | | | trans | 34.2 | 128.8 | 140.1 | 59.5 | 0 | 0 | 0 | 0 | 121.7 | | |
| 198 | A | 32.5 | Very low | 30.1 | Very low | 85 Ų | 85 | 146.6 Ų | 146.6 | 70% | 0.702 | 80% | 0.795 | S | S | * | * | | | | 168.1 | 138.2 | 87.9 | 0 | 0 | 0 | 0 | 0 | 113.8 | | |
| 199 | S | 33.2 | Very low | 30 | Very low | 128 Ų | 128 | 149.8 Ų | 149.8 | 90% | 0.895 | 80% | 0.797 | S | S | * | * | | | trans | 62.7 | 138 | 149.7 | 57.6 | 0 | 0 | 0 | 0 | 119.7 | | |
| 200 | G | 32.2 | Very low | 30 | Very low | 71 Ų | 71 | 148.7 Ų | 148.7 | 73% | 0.732 | 79% | 0.794 | S | S | * | * | | | cis | 180 | 159 | 11.4 | 0 | 0 | 0 | 0 | 0 | 110.1 | | |
| 201 | N | 29.5 | Very low | 29.9 | Very low | 147 Ų | 147 | 151.5 Ų | 151.5 | 79% | 0.786 | 79% | 0.794 | S | S | * | * | | | trans | -67.6 | 168.3 | -167.8 | -63.1 | -57.2 | 0 | 0 | 0 | 116.1 | | |
| 202 | Y | 31.8 | Very low | 29.9 | Very low | 228 Ų | 228 | 152.1 Ų | 152.1 | 89% | 0.894 | 80% | 0.798 | S | S | * | * | | | | 153.6 | 101 | 128.3 | -84.3 | -73.7 | 0 | 0 | 0 | 109.1 | | |
| 203 | A | 31.3 | Very low | 30 | Very low | 84 Ų | 84 | 148.3 Ų | 148.3 | 69% | 0.694 | 79% | 0.79 | S | S | * | * | | | | 94.5 | 107.1 | 78.1 | 0 | 0 | 0 | 0 | 0 | 114.7 | | |
| 204 | R | 29.6 | Very low | 30.2 | Very low | 238 Ų | 238 | 151 Ų | 151 | 90% | 0.898 | 79% | 0.794 | S | S | * | * | | | trans | 40.7 | 127.2 | 143.4 | -60.8 | -177.7 | -170.5 | 179.2 | 3.5 | 120 | | |
| 205 | K | 32.5 | Very low | 30 | Very low | 201 Ų | 201 | 158.7 Ų | 158.7 | 87% | 0.874 | 81% | 0.811 | S | S | * | * | | | | 175.9 | 127 | 102.3 | -93.8 | 169.2 | -176.7 | 179 | 0 | 111.6 | | |
| 206 | H | 30.2 | Very low | 30.2 | Very low | 187 Ų | 187 | 160.3 Ų | 160.3 | 87% | 0.866 | 81% | 0.81 | S | S | * | * | | | trans | -71.4 | 157.3 | 157.3 | -77.4 | -76.2 | 0 | 0 | 0 | 110.1 | | |
| 207 | P | 33 | Very low | 30.2 | Very low | 124 Ų | 124 | 165 Ų | 165 | 81% | 0.805 | 82% | 0.818 | S | S | * | * | | | | -140 | 150.1 | 111 | 32.9 | -17.7 | 0 | 0 | 0 | 114.3 | | |
| 208 | R | 27.4 | Very low | 30.2 | Very low | 245 Ų | 245 | 167.7 Ų | 167.7 | 93% | 0.925 | 82% | 0.82 | S | S | * | * | | | trans | -59.5 | 141.6 | 166.1 | -66.6 | -178.8 | 172.5 | -163.9 | -2.3 | 110.8 | | |
| 209 | R | 30.1 | Very low | 30.2 | Very low | 233 Ų | 233 | 169 Ų | 169 | 88% | 0.879 | 82% | 0.821 | S | S | * | * | | | trans | -154.3 | 128.9 | 144.7 | -106.9 | 174.2 | -169.4 | -172.6 | 1.8 | 110.7 | | |
| 210 | S | 25.7 | Very low | 29.9 | Very low | 98 Ų | 98 | 173.8 Ų | 173.8 | 69% | 0.685 | 82% | 0.821 | S | S | * | * | | | trans | -53.2 | 138.3 | 169 | 46.5 | 0 | 0 | 0 | 0 | 113 | | |
| 211 | F | 30.5 | Very low | 29.7 | Very low | 184 Ų | 184 | 178.8 Ų | 178.8 | 81% | 0.807 | 83% | 0.825 | S | S | * | * | | | trans | -146.8 | 110.7 | 151.6 | -94.3 | -80.1 | 0 | 0 | 0 | 109 | I213 | F211-I213 HydrophobicContact CD1-CD1 4.48Š|
| 212 | D | 28.1 | Very low | 29.7 | Very low | 161 Ų | 161 | 176.2 Ų | 176.2 | 86% | 0.861 | 82% | 0.819 | S | S | * | * | | | trans | -71 | 118.3 | 156.2 | -68.6 | -59.2 | 0 | 0 | 0 | 107.8 | | |
| 213 | I | 30.2 | Very low | 29.5 | Very low | 134 Ų | 134 | 176.9 Ų | 176.9 | 69% | 0.687 | 82% | 0.82 | S | S | * | * | | | trans | -144.2 | 106.4 | 158.2 | -59.1 | -175.9 | 0 | 0 | 0 | 109 | F211 | F211-I213 HydrophobicContact CD1-CD1 4.48Š|
| 214 | E | 29.2 | Very low | 29.4 | Very low | 187 Ų | 187 | 179.2 Ų | 179.2 | 87% | 0.874 | 82% | 0.819 | S | S | * | * | | | trans | 49.4 | 133.4 | 139.1 | -66 | -178.6 | 140.3 | 0 | 0 | 123.4 | | |
| 215 | R | 27.3 | Very low | 29.4 | Very low | 237 Ų | 237 | 175.3 Ų | 175.3 | 89% | 0.894 | 82% | 0.815 | S | S | * | * | | | trans | -59.8 | 126.9 | 169.4 | -66.7 | 167.6 | 173.4 | 176.8 | -2.3 | 111.1 | | |
| 216 | E | 32 | Very low | 29.2 | Very low | 173 Ų | 173 | 174.5 Ų | 174.5 | 81% | 0.808 | 81% | 0.814 | S | S | * | * | | | trans | -120.3 | 116.7 | 147.7 | -74 | -152.8 | 154 | 0 | 0 | 110.8 | | |
| 217 | K | 30.6 | Very low | 29.2 | Very low | 192 Ų | 192 | 173.3 Ų | 173.3 | 84% | 0.835 | 81% | 0.809 | S | S | * | * | | | trans | -78.7 | 126.2 | 169.6 | -78.1 | 173.5 | 171.4 | 178.1 | 0 | 108.3 | | |
| 218 | F | 27.5 | Very low | 29.1 | Very low | 184 Ų | 184 | 173 Ų | 173 | 81% | 0.807 | 81% | 0.807 | S | S | * | * | | | trans | -119.6 | 118.6 | 156.3 | -88.5 | -83.6 | 0 | 0 | 0 | 109.4 | | |
| 219 | P | 31.5 | Very low | 29.3 | Very low | 113 Ų | 113 | 166.8 Ų | 166.8 | 73% | 0.734 | 80% | 0.801 | S | S | * | * | | | trans | -92.4 | 122 | 171.3 | 33.2 | -24.8 | 0 | 0 | 0 | 109.7 | Q221 | P219-Q221 PolarHBondContact O-N 3.05Š|
| 220 | Y | 27.4 | Very low | 29.3 | Very low | 228 Ų | 228 | 163.2 Ų | 163.2 | 89% | 0.894 | 80% | 0.798 | S | S | * | * | | | trans | -83.7 | 98.8 | 168.6 | -156.3 | -94.4 | 0 | 0 | 0 | 108.9 | S222 | Y220-S222 PolarHBondContact O-N 3.33Š|
| 221 | Q | 28.3 | Very low | 29.4 | Very low | 177 Ų | 177 | 164.3 Ų | 164.3 | 83% | 0.827 | 80% | 0.804 | S | S | * | * | | | trans | -73.8 | 111.2 | 167.2 | -79.3 | -178.6 | -26.6 | 0 | 0 | 109 | P219 | P219-Q221 PolarHBondContact O-N 3.05Š|
| 222 | S | 29.2 | Very low | 29.3 | Very low | 92 Ų | 92 | 160.6 Ų | 160.6 | 64% | 0.643 | 80% | 0.799 | S | S | * | * | | | trans | -93.8 | 111.9 | 161.6 | 43.5 | 0 | 0 | 0 | 0 | 108.7 | Y220 I224 | Y220-S222 PolarHBondContact O-N 3.33Å; S222-I224 PolarHBondContact O-N 3.05Å |
| 223 | R | 28.1 | Very low | 29.4 | Very low | 243 Ų | 243 | 164.3 Ų | 164.3 | 92% | 0.917 | 80% | 0.802 | S | S | * | * | | | trans | -65.1 | 110.3 | 166.2 | -77.2 | 179.2 | -176.3 | 178.6 | 0.6 | 108 | | |
| 224 | I | 28.8 | Very low | 29.3 | Very low | 132 Ų | 132 | 166.2 Ų | 166.2 | 68% | 0.677 | 81% | 0.808 | S | S | * | * | | | trans | -87 | 114 | 164.2 | -63.6 | 174.8 | 0 | 0 | 0 | 106.2 | S222 E226 | S222-I224 PolarHBondContact O-N 3.05Å; I224-E226 PolarHBondContact O-N 3.29Å |
| 225 | L | 29.9 | Very low | 29.3 | Very low | 157 Ų | 157 | 166.9 Ų | 166.9 | 82% | 0.822 | 81% | 0.809 | S | S | * | * | | | trans | -63 | 111.1 | 162.9 | -80.8 | 153.9 | 0 | 0 | 0 | 107.7 | H227 | L225-H227 PolarHBondContact O-N 3.27Š|
| 226 | E | 28 | Very low | 29.6 | Very low | 183 Ų | 183 | 164 Ų | 164 | 86% | 0.855 | 81% | 0.81 | S | S | * | * | | | trans | -77.3 | 115.5 | 175 | -67.5 | -166.7 | 156.8 | 0 | 0 | 110.2 | I224 | I224-E226 PolarHBondContact O-N 3.29Š|
| 227 | H | 30.5 | Very low | 29.7 | Very low | 162 Ų | 162 | 165 Ų | 165 | 75% | 0.75 | 81% | 0.811 | S | S | * | * | | | trans | -104.5 | 125.7 | 159.2 | -76.1 | -78.7 | 0 | 0 | 0 | 108.1 | L225 S229 | L225-H227 PolarHBondContact O-N 3.27Å; H227-S229 PolarHBondContact O-N 3.46Å |
| 228 | P | 31.6 | Very low | 29.8 | Very low | 119 Ų | 119 | 164 Ų | 164 | 77% | 0.773 | 81% | 0.81 | S | S | * | * | | | trans | -81.7 | 111.7 | -179 | 31.3 | -29.6 | 0 | 0 | 0 | 109.7 | I230 | P228-I230 PolarHBondContact O-N 3.3Š|
| 229 | S | 30.5 | Very low | 30.1 | Very low | 114 Ų | 114 | 165 Ų | 165 | 80% | 0.797 | 82% | 0.817 | S | S | * | * | | | trans | -87.3 | 104.7 | 170 | -49.5 | 0 | 0 | 0 | 0 | 109.5 | H227 | H227-S229 PolarHBondContact O-N 3.46Š|
| 230 | I | 30.8 | Very low | 30 | Very low | 157 Ų | 157 | 164.5 Ų | 164.5 | 81% | 0.805 | 82% | 0.817 | S | S | * | * | P | Polyproline II helix | trans | -65.8 | 123.4 | 178.7 | -64.4 | 163.7 | 0 | 0 | 0 | 110.1 | P228 | P228-I230 PolarHBondContact O-N 3.3Š|
| 231 | C | 26.6 | Very low | 30.4 | Very low | 121 Ų | 121 | 158.8 Ų | 158.8 | 82% | 0.818 | 81% | 0.81 | S | S | * | * | P | Polyproline II helix | trans | -94 | 126.8 | 165.6 | -77.6 | 0 | 0 | 0 | 0 | 109.4 | | |
| 232 | P | 29.5 | Very low | 30.5 | Very low | 107 Ų | 107 | 156.7 Ų | 156.7 | 70% | 0.695 | 81% | 0.809 | S | S | * | * | P | Polyproline II helix | trans | -92.8 | 126.1 | 173 | 33.2 | -26 | 0 | 0 | 0 | 109.6 | | |
| 233 | Y | 29.1 | Very low | 30.8 | Very low | 238 Ų | 238 | 157.5 Ų | 157.5 | 93% | 0.933 | 82% | 0.815 | S | S | * | * | | | trans | 173.9 | 97.5 | 141.4 | -102.2 | -72.9 | 0 | 0 | 0 | 109.6 | | |
| 234 | E | 29.8 | Very low | 31.1 | Very low | 174 Ų | 174 | 151.3 Ų | 151.3 | 81% | 0.813 | 80% | 0.804 | S | S | * | * | | | trans | -150.5 | 109.3 | 164.7 | -151.2 | 166.5 | -152.2 | 0 | 0 | 108.9 | | |
| 235 | F | 28.5 | Very low | 31.3 | Very low | 202 Ų | 202 | 152.1 Ų | 152.1 | 89% | 0.886 | 81% | 0.81 | S | S | * | * | | | trans | -151.8 | 110.8 | 158.7 | -99.8 | -77.7 | 0 | 0 | 0 | 107.5 | | |
| 236 | L | 33.3 | Very low | 31.4 | Very low | 175 Ų | 175 | 149.4 Ų | 149.4 | 92% | 0.916 | 80% | 0.802 | S | S | * | * | | | trans | 162.9 | 87.2 | 139.6 | -84.3 | 162.4 | 0 | 0 | 0 | 109.5 | | |
| 237 | K | 35.1 | Very low | 31.7 | Very low | 194 Ų | 194 | 147 Ų | 147 | 84% | 0.843 | 80% | 0.8 | S | S | * | * | | | trans | -106.9 | 112 | 151.1 | -84.3 | -179.3 | 176.1 | 177.3 | 0 | 105.7 | | |
| 238 | Q | 31.1 | Very low | 31.9 | Very low | 172 Ų | 172 | 145.6 Ų | 145.6 | 80% | 0.804 | 80% | 0.803 | S | S | * | * | | | | 60.3 | 104.9 | 97.4 | -94.5 | -173.9 | -20.6 | 0 | 0 | 113.4 | | |
| 239 | E | 34 | Very low | 31.8 | Very low | 205 Ų | 205 | 148.7 Ų | 148.7 | 96% | 0.958 | 80% | 0.804 | S | S | * | * | | | trans | -108.6 | 122.9 | 140 | -72 | -167.8 | 169.4 | 0 | 0 | 108.3 | | |
| 240 | S | 30.2 | Very low | 32 | Very low | 103 Ų | 103 | 150.1 Ų | 150.1 | 72% | 0.72 | 81% | 0.808 | S | S | * | * | | | trans | -107.7 | 130 | 172.9 | 53.9 | 0 | 0 | 0 | 0 | 108.8 | | |
| 241 | S | 35.8 | Very low | 31.9 | Very low | 107 Ų | 107 | 147 Ų | 147 | 75% | 0.748 | 80% | 0.801 | S | S | * | * | | | trans | -140.1 | 95.8 | 152.4 | 49 | 0 | 0 | 0 | 0 | 107.2 | | |
| 242 | T | 30.7 | Very low | 32.3 | Very low | 134 Ų | 134 | 151.2 Ų | 151.2 | 82% | 0.822 | 81% | 0.805 | S | S | * | * | | | | 59.5 | 104.2 | 105.6 | 58.6 | 0 | 0 | 0 | 0 | 114.1 | | |
| 243 | S | 34 | Very low | 32.3 | Very low | 108 Ų | 108 | 151.9 Ų | 151.9 | 76% | 0.755 | 81% | 0.807 | S | S | * | * | | | | 171.5 | 115.4 | 121.5 | -178.8 | 0 | 0 | 0 | 0 | 111.1 | | |
| 244 | T | 34.6 | Very low | 32.6 | Very low | 114 Ų | 114 | 148.4 Ų | 148.4 | 70% | 0.699 | 80% | 0.803 | S | S | * | * | | | trans | -10.8 | 137.4 | 142.1 | 45.7 | 0 | 0 | 0 | 0 | 115.2 | | |
| 245 | D | 33 | Very low | 32.8 | Very low | 148 Ų | 148 | 144.6 Ų | 144.6 | 79% | 0.791 | 80% | 0.796 | S | S | * | * | | | cis | -161.8 | 164.2 | 45.3 | -93.9 | -40.7 | 0 | 0 | 0 | 113.6 | | |
| 246 | P | 33.5 | Very low | 32.9 | Very low | 101 Ų | 101 | 141 Ų | 141 | 66% | 0.656 | 79% | 0.793 | S | S | * | * | | | trans | -98.4 | -176 | -177 | 39.4 | -32.5 | 0 | 0 | 0 | 113.9 | | |
| 247 | T | 34.6 | Very low | 32.9 | Very low | 133 Ų | 133 | 141.7 Ų | 141.7 | 82% | 0.816 | 79% | 0.794 | S | S | * | * | | | trans | 96.9 | 125.6 | 178.7 | 72.9 | 0 | 0 | 0 | 0 | 113.2 | | |
| 248 | T | 34.6 | Very low | 32.8 | Very low | 132 Ų | 132 | 142.2 Ų | 142.2 | 81% | 0.81 | 80% | 0.799 | S | S | * | * | | | cis | -162.8 | 143.3 | 46.7 | -47.7 | 0 | 0 | 0 | 0 | 111.1 | | |
| 249 | F | 29 | Very low | 32.9 | Very low | 183 Ų | 183 | 137.6 Ų | 137.6 | 80% | 0.803 | 80% | 0.798 | S | S | * | * | | | trans | -49.3 | 145.7 | 167.7 | -122.5 | -112.2 | 0 | 0 | 0 | 113.7 | | |
| 250 | T | 35 | Very low | 33 | Very low | 144 Ų | 144 | 137.4 Ų | 137.4 | 88% | 0.883 | 79% | 0.793 | S | S | * | * | | | | -169 | 122.5 | 124.4 | 24.3 | 0 | 0 | 0 | 0 | 111 | | |
| 251 | S | 28 | Very low | 33 | Very low | 93 Ų | 93 | 137.4 Ų | 137.4 | 65% | 0.65 | 80% | 0.8 | S | S | * | * | | | trans | -70.9 | 141.9 | 174.7 | 53.5 | 0 | 0 | 0 | 0 | 112.6 | | |
| 252 | K | 35.1 | Very low | 32.9 | Very low | 209 Ų | 209 | 139.3 Ų | 139.3 | 91% | 0.909 | 80% | 0.8 | S | S | * | * | | | trans | -123.4 | 110.7 | 151.5 | -100.6 | -179.8 | 179.1 | 175.7 | 0 | 110.5 | | |
| 253 | T | 30.2 | Very low | 33.2 | Very low | 120 Ų | 120 | 142.8 Ų | 142.8 | 74% | 0.736 | 80% | 0.804 | S | S | * | * | | | trans | -57 | 132.1 | 168.6 | -48.1 | 0 | 0 | 0 | 0 | 111.7 | | |
| 254 | I | 35.4 | Very low | 33.1 | Very low | 166 Ų | 166 | 144.7 Ų | 144.7 | 85% | 0.851 | 81% | 0.805 | S | S | * | * | | | trans | -132.6 | 122.6 | 154.5 | -60.6 | -179.7 | 0 | 0 | 0 | 107.4 | | |
| 255 | S | 32.8 | Very low | 33 | Very low | 94 Ų | 94 | 144.9 Ų | 144.9 | 66% | 0.657 | 81% | 0.808 | S | S | * | * | | | trans | -64.1 | 161.9 | -175.2 | -58 | 0 | 0 | 0 | 0 | 114.4 | | |
| 256 | P | 31.9 | Very low | 32.9 | Very low | 126 Ų | 126 | 144.1 Ų | 144.1 | 82% | 0.818 | 81% | 0.809 | S | S | * | * | | | trans | -85.3 | 144.5 | -172.5 | 34.5 | -31.3 | 0 | 0 | 0 | 112 | | |
| 257 | M | 33.3 | Very low | 32.9 | Very low | 190 Ų | 190 | 144.2 Ų | 144.2 | 94% | 0.936 | 81% | 0.809 | S | S | * | * | | | trans | -107 | 128.4 | 165.5 | -68.8 | -151 | 95.6 | 0 | 0 | 110.7 | | |
| 258 | E | 32.3 | Very low | 32.7 | Very low | 205 Ų | 205 | 146.8 Ų | 146.8 | 96% | 0.958 | 81% | 0.809 | S | S | * | * | | | trans | -60.3 | 135.4 | 173.5 | -64.4 | 170 | 138.4 | 0 | 0 | 111.4 | | |
| 259 | G | 33.7 | Very low | 32.7 | Very low | 75 Ų | 75 | 146.5 Ų | 146.5 | 77% | 0.773 | 80% | 0.801 | S | S | * | * | | | trans | -155.2 | 89.1 | -179.8 | 0 | 0 | 0 | 0 | 0 | 111.9 | | |
| 260 | K | 35.4 | Very low | 32.8 | Very low | 200 Ų | 200 | 144.9 Ų | 144.9 | 87% | 0.87 | 80% | 0.797 | S | S | * | * | | | trans | 7.5 | 123.4 | 163.1 | -80.4 | 171.2 | 174.5 | 172.4 | 0 | 119.1 | | |
| 261 | A | 29.9 | Very low | 32.8 | Very low | 104 Ų | 104 | 143.3 Ų | 143.3 | 86% | 0.86 | 79% | 0.789 | S | S | * | * | | | trans | -56.9 | 127.2 | 166.4 | 0 | 0 | 0 | 0 | 0 | 112.9 | | |
| 262 | I | 35.2 | Very low | 33 | Very low | 147 Ų | 147 | 146.5 Ų | 146.5 | 75% | 0.754 | 79% | 0.793 | S | S | * | * | | | trans | -108.8 | 104.1 | 160.4 | -60.2 | 175.7 | 0 | 0 | 0 | 106.3 | L264 | I262-L264 HydrophobicContact CG2-CG 4.37Å; I262-L264 PolarHBondContact O-N 3.15Å |
| 263 | K | 35.4 | Very low | 32.7 | Very low | 207 Ų | 207 | 145 Ų | 145 | 90% | 0.9 | 79% | 0.791 | S | S | * | * | | | trans | -68 | 107.9 | 168.6 | -113.9 | 175.4 | 177.3 | 176.9 | 0 | 107.4 | | |
| 264 | L | 32 | Very low | 32.8 | Very low | 147 Ų | 147 | 148.2 Ų | 148.2 | 77% | 0.77 | 79% | 0.792 | S | S | * | * | P | Polyproline II helix | trans | -94 | 133.6 | 164.2 | -73.8 | 171.3 | 0 | 0 | 0 | 108.9 | I262 V266 | I262-L264 HydrophobicContact CG2-CG 4.37Å; I262-L264 PolarHBondContact O-N 3.15Å; L264-V266 PolarHBondContact O-N 3.37Å |
| 265 | P | 33 | Very low | 32.7 | Very low | 119 Ų | 119 | 145.9 Ų | 145.9 | 77% | 0.773 | 79% | 0.787 | S | S | * | * | P | Polyproline II helix | trans | -73.5 | 128.9 | -172.8 | 28.9 | -31.8 | 0 | 0 | 0 | 110.7 | | |
| 266 | V | 31.4 | Very low | 32.6 | Very low | 132 Ų | 132 | 150 Ų | 150 | 80% | 0.8 | 80% | 0.798 | S | S | * | * | P | Polyproline II helix | trans | -65.5 | 126.8 | 163.8 | -177.6 | 0 | 0 | 0 | 0 | 107.2 | L264 F268 | L264-V266 PolarHBondContact O-N 3.37Å; V266-F268 PolarHBondContact O-N 2.83Å |
| 267 | P | 33.2 | Very low | 32.7 | Very low | 103 Ų | 103 | 153.6 Ų | 153.6 | 67% | 0.669 | 80% | 0.801 | S | S | * | * | | | trans | -70.2 | 109.5 | 174.2 | 27.8 | -29.3 | 0 | 0 | 0 | 108.1 | I269 | P267-I269 PolarHBondContact O-N 3.28Š|
| 268 | F | 30.1 | Very low | 32.6 | Very low | 186 Ų | 186 | 150.8 Ų | 150.8 | 82% | 0.816 | 79% | 0.794 | S | S | * | * | | | trans | -65 | 98.2 | 167.3 | -149.6 | -95.6 | 0 | 0 | 0 | 107 | V266 E270 | V266-F268 PolarHBondContact O-N 2.83Å; F268-E270 HydrophobicContact CD1-CG 4.02Å; F268-E270 HydrophobicContact CE1-CG 4.4Å; F268-E270 PolarHBondContact O-N 3.03Å |
| 269 | I | 35.4 | Very low | 32.6 | Very low | 126 Ų | 126 | 150.2 Ų | 150.2 | 65% | 0.646 | 79% | 0.791 | S | S | * | * | | | trans | -83.1 | 94.5 | 170.7 | -59.8 | 176 | 0 | 0 | 0 | 105.8 | P267 | P267-I269 PolarHBondContact O-N 3.28Š|
| 270 | E | 30.3 | Very low | 32.8 | Very low | 150 Ų | 150 | 154.4 Ų | 154.4 | 70% | 0.701 | 79% | 0.788 | S | S | * | * | | | trans | -54.5 | 134.6 | 165.9 | -72.4 | -178.1 | 150.6 | 0 | 0 | 109.3 | F268 E272 | F268-E270 HydrophobicContact CD1-CG 4.02Å; F268-E270 HydrophobicContact CE1-CG 4.4Å; F268-E270 PolarHBondContact O-N 3.03Å; E270-E272 PolarHBondContact O-N 3.3Å |
| 271 | P | 35.3 | Very low | 32.7 | Very low | 110 Ų | 110 | 153 Ų | 153 | 71% | 0.714 | 79% | 0.785 | S | S | * | * | | | trans | -68.6 | 119.8 | 167 | 27.7 | -28.4 | 0 | 0 | 0 | 107.7 | M273 | P271-M273 PolarHBondContact O-N 2.81Š|
| 272 | E | 31 | Very low | 32.9 | Very low | 161 Ų | 161 | 153.3 Ų | 153.3 | 75% | 0.752 | 78% | 0.781 | S | S | * | * | | | trans | -55.3 | 103.4 | 164.9 | -80.2 | -165.8 | 156.9 | 0 | 0 | 108.6 | E270 Y274 | E270-E272 PolarHBondContact O-N 3.3Å; E272-Y274 PolarHBondContact O-N 3.45Å |
| 273 | M | 30.4 | Very low | 32.8 | Very low | 176 Ų | 176 | 153.9 Ų | 153.9 | 87% | 0.867 | 78% | 0.78 | S | S | * | * | | | trans | -65.6 | 96.7 | 167.6 | -79.1 | 175 | 53.1 | 0 | 0 | 108 | P271 | P271-M273 PolarHBondContact O-N 2.81Š|
| 274 | Y | 32.2 | Very low | 32.8 | Very low | 189 Ų | 189 | 152.8 Ų | 152.8 | 74% | 0.741 | 78% | 0.783 | S | S | * | * | | | trans | -68.4 | 126.8 | 159.1 | -82.4 | -87 | 0 | 0 | 0 | 108.5 | E272 M276 | E272-Y274 PolarHBondContact O-N 3.45Å; Y274-M276 PolarHBondContact O-N 3.38Å; Y274-M276 VanDerWaalsContact O-N 3.09Å |
| 275 | P | 33.6 | Very low | 33.2 | Very low | 116 Ų | 116 | 152.8 Ų | 152.8 | 75% | 0.753 | 78% | 0.779 | S | S | * | * | | | trans | -69 | 111.8 | -176.4 | 26.7 | -31.6 | 0 | 0 | 0 | 109.4 | K277 | P275-K277 PolarHBondContact O-N 3.22Š|
| 276 | M | 28.9 | Very low | 33.5 | Very low | 182 Ų | 182 | 155.3 Ų | 155.3 | 90% | 0.897 | 78% | 0.781 | S | S | * | * | | | trans | -68.3 | 113 | 159.1 | -79.4 | -148.8 | 113.4 | 0 | 0 | 107.6 | Y274 T278 | Y274-M276 PolarHBondContact O-N 3.38Å; Y274-M276 VanDerWaalsContact O-N 3.09Å; M276-T278 PolarHBondContact O-N 3.25Å |
| 277 | K | 35.2 | Very low | 33.9 | Very low | 201 Ų | 201 | 157.4 Ų | 157.4 | 87% | 0.874 | 78% | 0.782 | S | S | * | * | | | trans | -56 | 110.5 | 167.4 | -71.6 | -178.6 | 177.2 | -178.2 | 0 | 108.5 | P275 H279 | P275-K277 PolarHBondContact O-N 3.22Å; K277-H279 PolarHBondContact O-N 2.73Å |
| 278 | T | 31.2 | Very low | 34.1 | Very low | 130 Ų | 130 | 158 Ų | 158 | 80% | 0.798 | 79% | 0.789 | S | S | * | * | | | trans | -66.5 | 110.8 | 164.6 | 48.9 | 0 | 0 | 0 | 0 | 108.4 | M276 K280 | M276-T278 PolarHBondContact O-N 3.25Å; T278-K280 PolarHBondContact O-N 3.46Å |
| 279 | H | 32.1 | Very low | 34.2 | Very low | 193 Ų | 193 | 158.4 Ų | 158.4 | 89% | 0.894 | 79% | 0.793 | S | S | * | * | | | trans | -80.4 | 103.6 | 164.5 | -127.9 | -78.6 | 0 | 0 | 0 | 107.7 | K277 | K277-H279 PolarHBondContact O-N 2.73Š|
| 280 | K | 38 | Very low | 34.3 | Very low | 163 Ų | 163 | 158.9 Ų | 158.9 | 71% | 0.709 | 80% | 0.801 | S | S | * | * | | | trans | -75.7 | 137.1 | 165.2 | -105.8 | -177.7 | 173.2 | -174.3 | 0 | 109.3 | T278 | T278-K280 PolarHBondContact O-N 3.46Š|
| 281 | E | 32.6 | Very low | 34.6 | Very low | 170 Ų | 170 | 160.1 Ų | 160.1 | 79% | 0.794 | 81% | 0.807 | S | S | * | * | | | trans | 41.5 | 110.8 | 141.5 | -65.9 | 166.7 | 154.9 | 0 | 0 | 118.6 | | |
| 282 | S | 33.8 | Very low | 34.5 | Very low | 112 Ų | 112 | 165 Ų | 165 | 78% | 0.783 | 82% | 0.818 | S | S | * | * | | | trans | -148.2 | 109.4 | 144.2 | 64.1 | 0 | 0 | 0 | 0 | 111.1 | | |
| 283 | H | 33.4 | Very low | 34.5 | Very low | 158 Ų | 158 | 163.1 Ų | 163.1 | 73% | 0.731 | 82% | 0.817 | S | S | * | * | | | trans | 59.1 | 93.7 | 141.4 | -102.2 | -92 | 0 | 0 | 0 | 118.9 | Q285 | H283-Q285 PolarHBondContact CE1-OE1 3.12Å; H283-Q285 VanDerWaalsContact CE1-OE1 3.3Å |
| 284 | L | 34.6 | Very low | 34.9 | Very low | 184 Ų | 184 | 163 Ų | 163 | 96% | 0.963 | 82% | 0.818 | S | S | * | * | | | trans | -99.7 | 99.4 | 144.8 | -161.1 | 77.1 | 0 | 0 | 0 | 107.4 | | |
| 285 | Q | 41.1 | Very low | 34.9 | Very low | 148 Ų | 148 | 159.2 Ų | 159.2 | 69% | 0.692 | 82% | 0.82 | S | S | * | * | | | trans | -149.1 | 100.5 | 169 | -161.5 | 158.8 | 11.9 | 0 | 0 | 108.8 | H283 | H283-Q285 PolarHBondContact CE1-OE1 3.12Å; H283-Q285 VanDerWaalsContact CE1-OE1 3.3Å |
| 286 | Q | 39.5 | Very low | 35.1 | Very low | 172 Ų | 172 | 159.4 Ų | 159.4 | 80% | 0.804 | 82% | 0.824 | S | S | * | * | | | trans | -168.9 | 118.4 | 142.2 | -103.7 | 162.2 | 18.1 | 0 | 0 | 110.4 | | |
| 287 | Q | 39.4 | Very low | 35.2 | Very low | 175 Ų | 175 | 156.6 Ų | 156.6 | 82% | 0.818 | 82% | 0.817 | S | S | * | * | | | trans | 70.7 | 101.7 | 142.1 | -61 | 175.5 | -0.2 | 0 | 0 | 119.2 | | |
| 288 | S | 37.1 | Very low | 35.5 | Very low | 117 Ų | 117 | 156.3 Ų | 156.3 | 82% | 0.818 | 82% | 0.819 | S | S | * | * | | | | -164.6 | 110.3 | 115.9 | 36.4 | 0 | 0 | 0 | 0 | 109.8 | | |
| 289 | H | 33.8 | Very low | 35.9 | Very low | 193 Ų | 193 | 159.7 Ų | 159.7 | 89% | 0.894 | 82% | 0.823 | S | S | * | * | | | trans | -75 | 118 | 162.5 | -92.8 | -107.4 | 0 | 0 | 0 | 108 | | |
| 290 | T | 37.2 | Very low | 36 | Very low | 136 Ų | 136 | 156.5 Ų | 156.5 | 83% | 0.834 | 82% | 0.819 | S | S | * | * | | | trans | -149.2 | 125.1 | 146 | 36.9 | 0 | 0 | 0 | 0 | 109.1 | | |
| 291 | Q | 36.5 | Very low | 35.8 | Very low | 177 Ų | 177 | 157.2 Ų | 157.2 | 83% | 0.827 | 83% | 0.829 | S | S | * | * | | | trans | -64.5 | 144.1 | -177 | -63.3 | 160.3 | -42.8 | 0 | 0 | 111.3 | | |
| 292 | F | 33.7 | Very low | 35.9 | Very low | 212 Ų | 212 | 157.1 Ų | 157.1 | 93% | 0.93 | 83% | 0.829 | S | S | * | * | | | trans | -156.1 | 110.6 | 135.9 | -96.9 | -73.3 | 0 | 0 | 0 | 109.7 | | |
| 293 | T | 30.7 | Very low | 35.8 | Very low | 121 Ų | 121 | 162.6 Ų | 162.6 | 74% | 0.742 | 83% | 0.833 | S | S | * | * | | | trans | -58.4 | 139 | 164.9 | 28.4 | 0 | 0 | 0 | 0 | 112 | | |
| 294 | I | 38.7 | Very low | 35.7 | Very low | 173 Ų | 173 | 162.4 Ų | 162.4 | 89% | 0.887 | 83% | 0.832 | S | S | * | * | | | trans | -156.3 | 126.5 | 132.1 | -85.5 | 137.1 | 0 | 0 | 0 | 108.1 | | |
| 295 | S | 32.3 | Very low | 35.7 | Very low | 110 Ų | 110 | 163.5 Ų | 163.5 | 77% | 0.769 | 82% | 0.824 | S | S | * | * | | | trans | -80.9 | 143.1 | -179.5 | -31.2 | 0 | 0 | 0 | 0 | 111.4 | | |
| 296 | S | 36.7 | Very low | 35.4 | Very low | 120 Ų | 120 | 161.7 Ų | 161.7 | 84% | 0.839 | 83% | 0.828 | S | S | * | * | | | trans | -173.6 | 112.6 | 143.9 | 175.2 | 0 | 0 | 0 | 0 | 111.1 | | |
| 297 | T | 32.1 | Very low | 35 | Very low | 123 Ų | 123 | 159.7 Ų | 159.7 | 76% | 0.755 | 83% | 0.827 | S | S | * | * | | | trans | -62.3 | 143.1 | 171.8 | 49.9 | 0 | 0 | 0 | 0 | 113.4 | | |
| 298 | Q | 40.5 | Very low | 35.1 | Very low | 195 Ų | 195 | 157.2 Ų | 157.2 | 91% | 0.911 | 83% | 0.826 | S | S | * | * | | | | 177.3 | 155.1 | 122 | -94.1 | 177 | 10.6 | 0 | 0 | 113.1 | | |
| 299 | K | 39.5 | Very low | 34.9 | Very low | 202 Ų | 202 | 161 Ų | 161 | 88% | 0.878 | 83% | 0.831 | S | S | * | * | | | trans | -67.9 | 164 | -156.1 | -78 | 170.6 | 170.1 | 177.3 | 0 | 118.3 | | |
| 300 | P | 34.9 | Very low | 34.9 | Very low | 125 Ų | 125 | 155.1 Ų | 155.1 | 81% | 0.812 | 82% | 0.823 | S | S | * | * | | | trans | -92.4 | 155.1 | 174.7 | 37.5 | -31.6 | 0 | 0 | 0 | 113.4 | | |
| 301 | L | 34 | Very low | 34.8 | Very low | 179 Ų | 179 | 154.9 Ų | 154.9 | 94% | 0.937 | 82% | 0.824 | S | S | * | * | | | trans | -130.7 | 118.3 | 168.4 | -99.2 | 162.8 | 0 | 0 | 0 | 110 | | |
| 302 | Q | 34.2 | Very low | 34.4 | Very low | 167 Ų | 167 | 154.1 Ų | 154.1 | 78% | 0.78 | 82% | 0.823 | S | S | * | * | | | trans | -72.1 | 143.2 | 166.9 | -79 | 177 | -44.5 | 0 | 0 | 110.9 | | |
| 303 | R | 31.6 | Very low | 34.4 | Very low | 228 Ų | 228 | 153.2 Ų | 153.2 | 86% | 0.86 | 82% | 0.82 | S | S | * | * | | | trans | -134.8 | 120.9 | 153 | -91.2 | -173.7 | 179.2 | 173.6 | 0 | 109.8 | | |
| 304 | H | 32.5 | Very low | 34.5 | Very low | 154 Ų | 154 | 155.5 Ų | 155.5 | 71% | 0.713 | 82% | 0.822 | S | S | * | * | | | trans | -75.6 | 142.4 | 167.5 | -83.3 | -97.1 | 0 | 0 | 0 | 111.3 | | |
| 305 | Y | 33.8 | Very low | 34.1 | Very low | 206 Ų | 206 | 159.3 Ų | 159.3 | 81% | 0.808 | 83% | 0.825 | S | S | * | * | | | trans | -153.4 | 98.9 | 150.4 | -78.2 | -78.7 | 0 | 0 | 0 | 105.4 | | |
| 306 | S | 35.8 | Very low | 34.1 | Very low | 110 Ų | 110 | 159.1 Ų | 159.1 | 77% | 0.769 | 82% | 0.821 | S | S | * | * | | | | 57.7 | 104.4 | 85.7 | -56.1 | 0 | 0 | 0 | 0 | 114.5 | | |
| 307 | V | 31 | Very low | 33.7 | Very low | 131 Ų | 131 | 161.2 Ų | 161.2 | 79% | 0.794 | 82% | 0.823 | S | S | * | * | | | trans | -82.1 | 157.3 | 174 | 177.5 | 0 | 0 | 0 | 0 | 110.5 | | |
| 308 | P | 40.4 | Very low | 33.8 | Very low | 122 Ų | 122 | 163 Ų | 163 | 79% | 0.792 | 83% | 0.826 | S | S | * | * | | | trans | -122.3 | 134.2 | 146 | 29.5 | -14.9 | 0 | 0 | 0 | 112.7 | | |
| 309 | E | 32.6 | Very low | 33.3 | Very low | 196 Ų | 196 | 163 Ų | 163 | 92% | 0.916 | 82% | 0.819 | S | S | * | * | | | trans | -72.4 | 148.3 | 173.6 | -61.9 | -176.3 | 152.1 | 0 | 0 | 112.1 | | |
| 310 | G | 33.8 | Very low | 32.8 | Very low | 70 Ų | 70 | 160.8 Ų | 160.8 | 72% | 0.722 | 81% | 0.812 | S | S | * | * | | | trans | -175.1 | 151.3 | 171.2 | 0 | 0 | 0 | 0 | 0 | 112.1 | | |
| 311 | P | 36.1 | Very low | 32.8 | Very low | 132 Ų | 132 | 161.8 Ų | 161.8 | 86% | 0.857 | 81% | 0.809 | S | S | * | * | | | | -99.7 | 162.3 | -119.9 | 35.3 | -35.7 | 0 | 0 | 0 | 116.5 | | |
| 312 | I | 27.6 | Very low | 32.6 | Very low | 160 Ų | 160 | 158 Ų | 158 | 82% | 0.821 | 80% | 0.797 | S | S | * | * | | | trans | -57.8 | 127.2 | 172.6 | -60.4 | 158.2 | 0 | 0 | 0 | 110.9 | | |
| 313 | F | 34 | Very low | 32.4 | Very low | 194 Ų | 194 | 158.2 Ų | 158.2 | 85% | 0.851 | 80% | 0.798 | S | S | * | * | | | trans | -150.6 | 147.3 | 150.5 | -107.4 | -79.3 | 0 | 0 | 0 | 111.9 | | |
| 314 | E | 32 | Very low | 32.4 | Very low | 169 Ų | 169 | 152.4 Ų | 152.4 | 79% | 0.79 | 79% | 0.79 | S | S | * | * | | | trans | -63.6 | 150.8 | -162.6 | -59.5 | 169 | 137.8 | 0 | 0 | 115.2 | | |
| 315 | R | 31.5 | Very low | 32.3 | Very low | 252 Ų | 252 | 154.6 Ų | 154.6 | 95% | 0.951 | 80% | 0.797 | S | S | * | * | | | trans | -106.7 | 115.4 | 174.1 | -137.6 | -178.3 | -169.2 | 174.1 | 3.1 | 109.3 | | |
| 316 | P | 32.2 | Very low | 32.2 | Very low | 107 Ų | 107 | 150.3 Ų | 150.3 | 70% | 0.695 | 80% | 0.798 | S | S | * | * | | | trans | -99.7 | 156 | 163.7 | 30.1 | -18.6 | 0 | 0 | 0 | 111.8 | | |
| 317 | D | 27.6 | Very low | 31.9 | Very low | 163 Ų | 163 | 150 Ų | 150 | 87% | 0.872 | 80% | 0.801 | S | S | * | * | | | trans | -49.8 | 136 | 179.5 | -56.9 | -63.6 | 0 | 0 | 0 | 114.2 | | |
| 318 | I | 34.5 | Very low | 31.9 | Very low | 160 Ų | 160 | 149.5 Ų | 149.5 | 82% | 0.821 | 80% | 0.801 | S | S | * | * | | | trans | -132.8 | 114.2 | 167.6 | -62 | -179.5 | 0 | 0 | 0 | 110.1 | | |
| 319 | Y | 30.4 | Very low | 31.4 | Very low | 196 Ų | 196 | 148.5 Ų | 148.5 | 77% | 0.769 | 80% | 0.797 | S | S | * | * | | | trans | -64.4 | 151.9 | 160.5 | -92 | -94.2 | 0 | 0 | 0 | 112.1 | | |
| 320 | H | 29.3 | Very low | 31.2 | Very low | 156 Ų | 156 | 148.5 Ų | 148.5 | 72% | 0.722 | 80% | 0.797 | S | S | * | * | | | trans | 55.4 | 109.3 | 154.1 | -76.9 | -71 | 0 | 0 | 0 | 119.3 | | |
| 321 | I | 34 | Very low | 31.1 | Very low | 146 Ų | 146 | 152.9 Ų | 152.9 | 75% | 0.749 | 80% | 0.798 | S | S | * | * | | | trans | -128.3 | 109.4 | 138.4 | -60.1 | -179.9 | 0 | 0 | 0 | 108.5 | | |
| 322 | S | 28.8 | Very low | 30.7 | Very low | 99 Ų | 99 | 153.5 Ų | 153.5 | 69% | 0.692 | 79% | 0.794 | S | S | * | * | | | trans | -68.9 | 127.7 | 168.3 | -34.6 | 0 | 0 | 0 | 0 | 109.2 | | |
| 323 | H | 31.8 | Very low | 30.7 | Very low | 171 Ų | 171 | 155.8 Ų | 155.8 | 79% | 0.792 | 79% | 0.794 | S | S | * | * | | | trans | -109.9 | 131 | 162.3 | -81.1 | -71.5 | 0 | 0 | 0 | 109.9 | | |
| 324 | P | 30.9 | Very low | 30.5 | Very low | 106 Ų | 106 | 154.6 Ų | 154.6 | 69% | 0.688 | 80% | 0.797 | S | S | * | * | | | trans | -89.1 | 149.3 | -174.1 | 34.9 | -32.5 | 0 | 0 | 0 | 112.8 | | |
| 325 | K | 30 | Very low | 30.5 | Very low | 200 Ų | 200 | 152.8 Ų | 152.8 | 87% | 0.87 | 79% | 0.791 | S | S | * | * | | | trans | 60.3 | 106.5 | 147 | -65.7 | 178 | -179.7 | -178.8 | 0 | 119.3 | | |
| 326 | S | 32.5 | Very low | 30.3 | Very low | 117 Ų | 117 | 146.2 Ų | 146.2 | 82% | 0.818 | 78% | 0.781 | S | S | * | * | | | | -159.3 | 119.9 | 125.5 | 39.7 | 0 | 0 | 0 | 0 | 109.5 | | |
| 327 | A | 28.6 | Very low | 30 | Very low | 103 Ų | 103 | 147.3 Ų | 147.3 | 85% | 0.851 | 79% | 0.79 | S | S | * | * | | | trans | -72.5 | 148.5 | 173.6 | 0 | 0 | 0 | 0 | 0 | 110.4 | | |
| 328 | P | 31.4 | Very low | 30.2 | Very low | 121 Ų | 121 | 145.2 Ų | 145.2 | 79% | 0.786 | 79% | 0.788 | S | S | * | * | | | trans | -123.7 | 133.5 | 140.6 | 20.6 | -2.5 | 0 | 0 | 0 | 111.9 | | |
| 329 | S | 29.4 | Very low | 29.9 | Very low | 100 Ų | 100 | 145.4 Ų | 145.4 | 70% | 0.699 | 78% | 0.783 | S | S | * | * | | | trans | -16.1 | 137.7 | 163.1 | 53.1 | 0 | 0 | 0 | 0 | 119.1 | Q331 | S329-Q331 PolarHBondContact O-N 2.99Š|
| 330 | E | 28.5 | Very low | 29.7 | Very low | 196 Ų | 196 | 142.8 Ų | 142.8 | 92% | 0.916 | 78% | 0.782 | S | S | * | * | | | trans | -45 | 120.8 | 154.8 | -73.1 | 171.1 | 135.1 | 0 | 0 | 111.6 | | |
| 331 | Q | 31.9 | Very low | 29.7 | Very low | 162 Ų | 162 | 145.5 Ų | 145.5 | 76% | 0.757 | 79% | 0.787 | S | S | * | * | | | trans | -144.2 | 106.5 | 156.4 | -92.7 | 179.5 | -13.9 | 0 | 0 | 108.5 | S329 | S329-Q331 PolarHBondContact O-N 2.99Š|
| 332 | D | 27.5 | Very low | 29.5 | Very low | 145 Ų | 145 | 146.9 Ų | 146.9 | 78% | 0.775 | 79% | 0.788 | S | S | * | * | | | trans | 30.9 | 97.9 | 143.1 | -63.2 | -39.2 | 0 | 0 | 0 | 118.5 | | |
| 333 | Y | 29.2 | Very low | 29.4 | Very low | 209 Ų | 209 | 149.2 Ų | 149.2 | 82% | 0.82 | 79% | 0.793 | S | S | * | * | | | trans | -135.8 | 77.5 | 149.7 | -78.1 | -73.4 | 0 | 0 | 0 | 110.7 | I335 | Y333-I335 HydrophobicContact CD1-CD1 3.8Å; Y333-I335 HydrophobicContact CD1-CG1 4.13Å; Y333-I335 HydrophobicContact CG-CD1 4.45Å; Y333-I335 PolarHBondContact O-N 3.39Å |
| 334 | N | 27.9 | Very low | 29.2 | Very low | 168 Ų | 168 | 146.2 Ų | 146.2 | 90% | 0.898 | 79% | 0.786 | S | S | * | * | | | trans | -67.5 | 103.9 | 150.3 | -93.7 | -39.7 | 0 | 0 | 0 | 107.7 | | |
| 335 | I | 32.6 | Very low | 28.9 | Very low | 131 Ų | 131 | 150.7 Ų | 150.7 | 67% | 0.672 | 80% | 0.795 | S | S | * | * | | | trans | -124.2 | 125.8 | 169.5 | -57.9 | 179.5 | 0 | 0 | 0 | 108.2 | Y333 | Y333-I335 HydrophobicContact CD1-CD1 3.8Å; Y333-I335 HydrophobicContact CD1-CG1 4.13Å; Y333-I335 HydrophobicContact CG-CD1 4.45Å; Y333-I335 PolarHBondContact O-N 3.39Å |
| 336 | P | 28.6 | Very low | 28.8 | Very low | 114 Ų | 114 | 146 Ų | 146 | 74% | 0.74 | 79% | 0.788 | S | S | * | * | | | trans | -70.6 | 145.8 | -170.5 | 28.7 | -33.5 | 0 | 0 | 0 | 112 | S338 | P336-S338 PolarHBondContact O-N 2.98Š|
| 337 | C | 24.1 | Very low | 28.5 | Very low | 131 Ų | 131 | 147 Ų | 147 | 89% | 0.885 | 78% | 0.782 | S | S | * | * | | | trans | -49.4 | 116.2 | 173.9 | -168.8 | 0 | 0 | 0 | 0 | 111.1 | | |
| 338 | S | 32.5 | Very low | 28.6 | Very low | 118 Ų | 118 | 146.3 Ų | 146.3 | 83% | 0.825 | 77% | 0.771 | S | S | * | * | | | trans | -115.9 | 132.7 | 167.4 | -168.4 | 0 | 0 | 0 | 0 | 110 | P336 | P336-S338 PolarHBondContact O-N 2.98Š|
| 339 | K | 28.2 | Very low | 28.4 | Very low | 165 Ų | 165 | 148.4 Ų | 148.4 | 72% | 0.717 | 77% | 0.771 | S | S | * | * | | | trans | -71.3 | 164.2 | -166.9 | -66.8 | 170.5 | 169.4 | 172 | 0 | 112.7 | | |
| 340 | D | 27.4 | Very low | 28.6 | Very low | 140 Ų | 140 | 149 Ų | 149 | 75% | 0.749 | 78% | 0.775 | S | S | * | * | | | trans | 74 | 91.3 | 153.8 | -47.8 | -33.9 | 0 | 0 | 0 | 118.8 | | |
| 341 | Y | 27.7 | Very low | 28.8 | Very low | 213 Ų | 213 | 144.7 Ų | 144.7 | 84% | 0.835 | 77% | 0.766 | S | S | * | * | | | trans | -145.8 | 84.7 | 149.6 | -107 | -86 | 0 | 0 | 0 | 109.6 | | |
| 342 | F | 29.7 | Very low | 28.9 | Very low | 175 Ų | 175 | 148.1 Ų | 148.1 | 77% | 0.768 | 77% | 0.773 | S | S | * | * | | | trans | -107.5 | 94.6 | 156.3 | -99.8 | -87.4 | 0 | 0 | 0 | 107.1 | V344 | F342-V344 VanDerWaalsContact C-N 3.28Å; F342-V344 HydrophobicContact CD1-CG2 4.19Å; F342-V344 PolarHBondContact O-N 3.42Å |
| 343 | D | 26.5 | Very low | 29.1 | Very low | 149 Ų | 149 | 147.3 Ų | 147.3 | 80% | 0.797 | 78% | 0.775 | S | S | * | * | | | trans | -82.5 | 84.2 | 160.5 | -97.3 | -26 | 0 | 0 | 0 | 107.6 | | |
| 344 | V | 27.8 | Very low | 29.3 | Very low | 107 Ų | 107 | 145.1 Ų | 145.1 | 65% | 0.648 | 78% | 0.777 | S | S | * | * | | | trans | -113 | 130.9 | 151.9 | -179.4 | 0 | 0 | 0 | 0 | 104.7 | F342 S346 | F342-V344 VanDerWaalsContact C-N 3.28Å; F342-V344 HydrophobicContact CD1-CG2 4.19Å; F342-V344 PolarHBondContact O-N 3.42Å; V344-S346 PolarHBondContact O-N 3.44Å |
| 345 | F | 25.8 | Very low | 29.8 | Very low | 200 Ų | 200 | 142.6 Ų | 142.6 | 88% | 0.877 | 77% | 0.772 | S | S | * | * | S | Bend | trans | -9.7 | 118.4 | 167.7 | -89.6 | -102.4 | 0 | 0 | 0 | 114.8 | | |
| 346 | S | 27.2 | Very low | 29.6 | Very low | 101 Ų | 101 | 142.7 Ų | 142.7 | 71% | 0.706 | 78% | 0.779 | S | S | * | * | S | Bend | trans | 136.1 | 127.5 | 148.1 | -61.7 | 0 | 0 | 0 | 0 | 113 | V344 | V344-S346 PolarHBondContact O-N 3.44Š|
| 347 | I | 26.8 | Very low | 29.9 | Very low | 138 Ų | 138 | 146.5 Ų | 146.5 | 71% | 0.708 | 79% | 0.787 | S | S | * | * | | | trans | 58.4 | 88.1 | 147.6 | -48.9 | 159.2 | 0 | 0 | 0 | 115.8 | Q349 | I347-Q349 HydrophobicContact CG2-CG 3.97Å; I347-Q349 PolarHBondContact O-N 3.3Å |
| 348 | S | 29.2 | Very low | 30.2 | Very low | 89 Ų | 89 | 146.9 Ų | 146.9 | 62% | 0.622 | 79% | 0.785 | S | S | * | * | | | trans | -91.4 | 92.9 | 159.8 | 64.8 | 0 | 0 | 0 | 0 | 109.1 | S350 | S348-S350 PolarHBondContact O-N 3.4Š|
| 349 | Q | 28.4 | Very low | 30.2 | Very low | 165 Ų | 165 | 151 Ų | 151 | 77% | 0.771 | 79% | 0.789 | S | S | * | * | | | trans | -63.3 | 118.4 | 161.5 | -64.2 | -171 | 9.1 | 0 | 0 | 107.9 | I347 | I347-Q349 HydrophobicContact CG2-CG 3.97Å; I347-Q349 PolarHBondContact O-N 3.3Å |
| 350 | S | 33.7 | Very low | 30.3 | Very low | 114 Ų | 114 | 148.5 Ų | 148.5 | 80% | 0.797 | 79% | 0.788 | S | S | * | * | | | trans | -126.1 | 86.5 | 165.4 | 70.2 | 0 | 0 | 0 | 0 | 108.6 | S348 | S348-S350 PolarHBondContact O-N 3.4Š|
| 351 | S | 31.7 | Very low | 30.5 | Very low | 104 Ų | 104 | 147.2 Ų | 147.2 | 73% | 0.727 | 79% | 0.789 | S | S | * | * | | | trans | -86.1 | 110.4 | 169.8 | -38.4 | 0 | 0 | 0 | 0 | 108.4 | | |
| 352 | R | 34.7 | Very low | 30.7 | Very low | 235 Ų | 235 | 146.8 Ų | 146.8 | 89% | 0.887 | 79% | 0.788 | S | S | * | * | | | trans | -140.6 | 129 | 148.8 | -80.2 | -166.5 | -176.7 | -154.2 | -0.4 | 107.8 | | |
| 353 | P | 30.8 | Very low | 30.6 | Very low | 128 Ų | 128 | 147 Ų | 147 | 83% | 0.831 | 79% | 0.793 | S | S | * | * | P | Polyproline II helix | trans | -76.4 | 145.9 | -174.6 | 30.8 | -31.7 | 0 | 0 | 0 | 111.4 | | |
| 354 | L | 34.1 | Very low | 31.2 | Very low | 163 Ų | 163 | 145.2 Ų | 145.2 | 85% | 0.853 | 79% | 0.788 | S | S | * | * | P | Polyproline II helix | trans | -67.9 | 138.3 | 175 | -106.3 | 66.5 | 0 | 0 | 0 | 111.2 | | |
| 355 | S | 37.8 | Very low | 31.2 | Very low | 115 Ų | 115 | 146.9 Ų | 146.9 | 80% | 0.804 | 79% | 0.793 | S | S | * | * | P | Polyproline II helix | trans | -73.6 | 133 | 149.6 | 55.1 | 0 | 0 | 0 | 0 | 109 | | |
| 356 | T | 29.7 | Very low | 31.7 | Very low | 132 Ų | 132 | 147.9 Ų | 147.9 | 81% | 0.81 | 79% | 0.792 | S | S | * | * | P | Polyproline II helix | trans | -56.8 | 123.2 | -173.1 | 47.8 | 0 | 0 | 0 | 0 | 114.7 | | |
| 357 | E | 35.5 | Very low | 32.1 | Very low | 194 Ų | 194 | 148.1 Ų | 148.1 | 91% | 0.907 | 79% | 0.794 | S | S | * | * | | | trans | -138.7 | 125 | 142.6 | -73.6 | -159.1 | 167.2 | 0 | 0 | 109.9 | | |
| 358 | T | 29.3 | Very low | 32.6 | Very low | 139 Ų | 139 | 146.3 Ų | 146.3 | 85% | 0.853 | 80% | 0.8 | S | S | * | * | | | trans | -65.3 | 121.1 | -174.5 | 10.3 | 0 | 0 | 0 | 0 | 111.3 | | |
| 359 | F | 33.1 | Very low | 32.9 | Very low | 204 Ų | 204 | 146.4 Ų | 146.4 | 90% | 0.895 | 81% | 0.806 | S | S | * | * | | | trans | -136.2 | 106.8 | 160.9 | -134.1 | -92.2 | 0 | 0 | 0 | 110.2 | S361 | F359-S361 PolarHBondContact O-N 3.23Š|
| 360 | T | 29.8 | Very low | 33.3 | Very low | 114 Ų | 114 | 144.5 Ų | 144.5 | 70% | 0.699 | 81% | 0.808 | S | S | * | * | | | trans | -62 | 111.4 | 174.3 | 39.6 | 0 | 0 | 0 | 0 | 109.6 | | |
| 361 | S | 31.2 | Very low | 33.2 | Very low | 112 Ų | 112 | 144.1 Ų | 144.1 | 78% | 0.783 | 81% | 0.805 | S | S | * | * | | | trans | -101.7 | 106 | 168.3 | -175.6 | 0 | 0 | 0 | 0 | 108.8 | F359 M363 | F359-S361 PolarHBondContact O-N 3.23Å; S361-M363 PolarHBondContact O-N 2.88Å |
| 362 | Y | 31.4 | Very low | 33.4 | Very low | 204 Ų | 204 | 147.2 Ų | 147.2 | 80% | 0.8 | 81% | 0.813 | S | S | * | * | P | Polyproline II helix | trans | -55.3 | 118.9 | 167 | -79.6 | -98 | 0 | 0 | 0 | 110.3 | | |
| 363 | M | 29.3 | Very low | 33.2 | Very low | 179 Ų | 179 | 141 Ų | 141 | 88% | 0.882 | 81% | 0.806 | S | S | * | * | P | Polyproline II helix | trans | -73.9 | 124.1 | 155.8 | -69.6 | -75.8 | -172.3 | 0 | 0 | 106.5 | S361 | S361-M363 PolarHBondContact O-N 2.88Š|
| 364 | V | 37.5 | Very low | 33.5 | Very low | 112 Ų | 112 | 141.5 Ų | 141.5 | 68% | 0.679 | 81% | 0.807 | S | S | * | * | P | Polyproline II helix | trans | -101.5 | 116.2 | 168.7 | 176.6 | 0 | 0 | 0 | 0 | 106.6 | Y366 | V364-Y366 HydrophobicContact CG1-CD2 4.19Å; V364-Y366 HydrophobicContact CG1-CE2 4.32Å; V364-Y366 PolarHBondContact O-N 2.96Å |
| 365 | D | 29.2 | Very low | 33.5 | Very low | 143 Ų | 143 | 142.1 Ų | 142.1 | 77% | 0.765 | 81% | 0.805 | S | S | * | * | P | Polyproline II helix | trans | -53.4 | 124 | 171.5 | -64.3 | -48.4 | 0 | 0 | 0 | 110.5 | | |
| 366 | Y | 36.5 | Very low | 33.5 | Very low | 220 Ų | 220 | 142 Ų | 142 | 86% | 0.863 | 80% | 0.801 | S | S | * | * | | | trans | -129.6 | 85.7 | 161 | -105.5 | -86.3 | 0 | 0 | 0 | 109.3 | V364 | V364-Y366 HydrophobicContact CG1-CD2 4.19Å; V364-Y366 HydrophobicContact CG1-CE2 4.32Å; V364-Y366 PolarHBondContact O-N 2.96Å |
| 367 | S | 34.5 | Very low | 33.6 | Very low | 106 Ų | 106 | 138 Ų | 138 | 74% | 0.741 | 79% | 0.787 | S | S | * | * | | | trans | -76.6 | 147.8 | 160.4 | -57.5 | 0 | 0 | 0 | 0 | 109.8 | | |
| 368 | A | 37.7 | Very low | 33.6 | Very low | 101 Ų | 101 | 135.1 Ų | 135.1 | 84% | 0.835 | 79% | 0.785 | S | S | * | * | | | trans | 90.5 | 96.7 | 169.3 | 0 | 0 | 0 | 0 | 0 | 117.5 | | |
| 369 | A | 36.2 | Very low | 33.9 | Very low | 91 Ų | 91 | 132.8 Ų | 132.8 | 75% | 0.752 | 77% | 0.774 | S | S | * | * | | | trans | -72.7 | 162.7 | 151.7 | 0 | 0 | 0 | 0 | 0 | 110.3 | | |
| 370 | P | 36.1 | Very low | 34 | Very low | 124 Ų | 124 | 128.7 Ų | 128.7 | 81% | 0.805 | 77% | 0.766 | S | S | * | * | | | | -138.8 | 146.7 | 94.3 | 32.4 | -16.1 | 0 | 0 | 0 | 115.5 | | |
| 371 | S | 32.2 | Very low | 34.6 | Very low | 106 Ų | 106 | 129 Ų | 129 | 74% | 0.741 | 76% | 0.763 | S | S | * | * | | | trans | -15.5 | 126.7 | 161 | 50.4 | 0 | 0 | 0 | 0 | 119.2 | | |
| 372 | L | 35.7 | Very low | 34.9 | Very low | 169 Ų | 169 | 131.7 Ų | 131.7 | 89% | 0.885 | 77% | 0.765 | S | S | * | * | | | | -155.6 | 133.1 | 128 | -144.6 | 69.9 | 0 | 0 | 0 | 111.5 | | |
| 373 | S | 30.6 | Very low | 35.7 | Very low | 105 Ų | 105 | 128.3 Ų | 128.3 | 73% | 0.734 | 75% | 0.752 | S | S | * | * | | | trans | -54.6 | 124 | -177.9 | 42.3 | 0 | 0 | 0 | 0 | 115.6 | | |
| 374 | T | 36.9 | Very low | 36.6 | Very low | 139 Ų | 139 | 127 Ų | 127 | 85% | 0.853 | 74% | 0.741 | S | S | * | * | | | trans | -155 | 124.7 | 150.3 | -49.6 | 0 | 0 | 0 | 0 | 109.2 | | |
| 375 | E | 34.2 | Very low | 36.8 | Very low | 176 Ų | 176 | 125.7 Ų | 125.7 | 82% | 0.822 | 73% | 0.734 | S | S | * | * | | | trans | -33.7 | 128.5 | 174.2 | -65.5 | -73.2 | 138.3 | 0 | 0 | 114.5 | G377 | E375-G377 PolarHBondContact O-N 2.89Å; E375-G377 VanDerWaalsContact O-N 3.11Å |
| 376 | P | 36.9 | Very low | 37.4 | Very low | 112 Ų | 112 | 126.1 Ų | 126.1 | 73% | 0.727 | 73% | 0.729 | S | S | * | * | | | trans | -81.7 | 95.8 | 170.7 | 31.9 | -27.3 | 0 | 0 | 0 | 109.2 | | |
| 377 | G | 32 | Very low | 37.5 | Very low | 49 Ų | 49 | 121 Ų | 121 | 51% | 0.505 | 72% | 0.721 | S | S | . | * | | | trans | -53.6 | 161.9 | 154.8 | 0 | 0 | 0 | 0 | 0 | 110.5 | E375 S379 | E375-G377 PolarHBondContact O-N 2.89Å; E375-G377 VanDerWaalsContact O-N 3.11Å; G377-S379 PolarHBondContact O-N 3.48Å |
| 378 | P | 35.3 | Very low | 37.7 | Very low | 133 Ų | 133 | 120.4 Ų | 120.4 | 86% | 0.864 | 71% | 0.714 | S | S | * | * | S | Bend | trans | -55.3 | 104.9 | -166.2 | 24.2 | -33.6 | 0 | 0 | 0 | 110.5 | T380 | P378-T380 PolarHBondContact O-N 3.38Š|
| 379 | S | 35.5 | Very low | 37.7 | Very low | 89 Ų | 89 | 121.1 Ų | 121.1 | 62% | 0.622 | 71% | 0.713 | S | S | * | * | | | trans | -52.4 | 114.9 | -176.4 | -65 | 0 | 0 | 0 | 0 | 108.9 | G377 L381 | G377-S379 PolarHBondContact O-N 3.48Å; S379-L381 VanDerWaalsContact C-N 3.3Å; S379-L381 PolarHBondContact O-N 3.1Å |
| 380 | T | 34.9 | Very low | 37.7 | Very low | 119 Ų | 119 | 123.5 Ų | 123.5 | 73% | 0.73 | 72% | 0.719 | S | S | * | * | | | trans | -59.4 | 97.9 | 171.5 | -65.7 | 0 | 0 | 0 | 0 | 106.5 | P378 M382 | P378-T380 PolarHBondContact O-N 3.38Å; T380-M382 VanDerWaalsContact C-N 3.3Å; T380-M382 HydrophobicContact CG2-CE 4.5Å; T380-M382 PolarHBondContact O-N 3.13Å |
| 381 | L | 41.8 | Very low | 37.8 | Very low | 120 Ų | 120 | 123.6 Ų | 123.6 | 63% | 0.628 | 72% | 0.717 | S | S | * | * | | | trans | -65.5 | 93.5 | 178.9 | -69.3 | 178.1 | 0 | 0 | 0 | 108.5 | S379 Y383 | S379-L381 VanDerWaalsContact C-N 3.3Å; S379-L381 PolarHBondContact O-N 3.1Å; L381-Y383 PolarHBondContact O-N 3.23Å |
| 382 | M | 38.3 | Very low | 38.1 | Very low | 169 Ų | 169 | 125.1 Ų | 125.1 | 83% | 0.833 | 72% | 0.722 | S | S | * | * | | | trans | -66.2 | 97.4 | 164.2 | -70.7 | -83.6 | 176.4 | 0 | 0 | 106.9 | T380 K384 | T380-M382 VanDerWaalsContact C-N 3.3Å; T380-M382 HydrophobicContact CG2-CE 4.5Å; T380-M382 PolarHBondContact O-N 3.13Å; M382-K384 PolarHBondContact O-N 2.91Å |
| 383 | Y | 48.2 | Very low | 38.7 | Very low | 132 Ų | 132 | 123.2 Ų | 123.2 | 52% | 0.518 | 72% | 0.717 | S | S | . | * | | | trans | -71.4 | 118.2 | 170 | 49.9 | -91.7 | 0 | 0 | 0 | 107.9 | L381 T385 Y410 P424 | L381-Y383 PolarHBondContact O-N 3.23Å; Y383-T385 HydrophobicContact CD2-CG2 4.14Å; Y383-T385 HydrophobicContact CE2-CG2 4.16Å; Y383-T385 PolarHBondContact O-N 3.5Å; Y383-Y410 HydrophobicContact CD2-CD1 4.2Å; Y383-Y410 AromaticContact CD2-CE1 3.62Å; Y383-Y410 HydrophobicContact CD2-CE1 3.62Å; Y383-Y410 AromaticContact CE2-CE1 4Å; Y383-Y410 HydrophobicContact CE2-CE1 4Å; Y383-Y410 HydrophobicContact CG-CE1 4.36Å; Y383-P424 HydrophobicContact CE1-CB 4.45Å |
| 384 | K | 49 | Very low | 39.1 | Very low | 152 Ų | 152 | 123.9 Ų | 123.9 | 66% | 0.661 | 72% | 0.719 | S | S | * | * | | | trans | -72.6 | 102.5 | -177.2 | -157.5 | 170 | -175.7 | 177 | 0 | 109.2 | M382 F386 | M382-K384 PolarHBondContact O-N 2.91Å; K384-F386 HydrophobicContact CD-CE2 4.45Å |
| 385 | T | 41.1 | Very low | 38.9 | Very low | 85 Ų | 85 | 123.3 Ų | 123.3 | 52% | 0.521 | 72% | 0.721 | S | S | . | * | | | trans | -75.1 | 120.5 | 168.3 | 40 | 0 | 0 | 0 | 0 | 109.4 | Y383 Y410 | Y383-T385 HydrophobicContact CD2-CG2 4.14Å; Y383-T385 HydrophobicContact CE2-CG2 4.16Å; Y383-T385 PolarHBondContact O-N 3.5Å; T385-Y410 HydrophobicContact CG2-CE1 4.42Å |
| 386 | F | 41.1 | Very low | 39.3 | Very low | 151 Ų | 151 | 120.3 Ų | 120.3 | 66% | 0.662 | 72% | 0.719 | S | S | * | * | | | trans | -85.8 | 117.7 | 161 | -88 | -93.3 | 0 | 0 | 0 | 108.9 | K384 | K384-F386 HydrophobicContact CD-CE2 4.45Š|
| 387 | T | 38.7 | Very low | 39.4 | Very low | 114 Ų | 114 | 120.5 Ų | 120.5 | 70% | 0.699 | 72% | 0.723 | S | S | * | * | | | trans | -94.6 | 114.1 | 165.1 | 49.4 | 0 | 0 | 0 | 0 | 107.8 | S389 | T387-S389 PolarHBondContact O-N 3.37Š|
| 388 | P | 39.8 | Very low | 39.9 | Very low | 93 Ų | 93 | 125.3 Ų | 125.3 | 60% | 0.604 | 74% | 0.743 | S | S | * | * | | | trans | -70.3 | 129.9 | 171.3 | 26.9 | -29.2 | 0 | 0 | 0 | 109.3 | | |
| 389 | S | 36.6 | Very low | 40.1 | Very low | 115 Ų | 115 | 129.7 Ų | 129.7 | 80% | 0.804 | 74% | 0.742 | S | S | * | * | | | trans | -58.3 | 133.2 | 172.4 | -57.5 | 0 | 0 | 0 | 0 | 110.2 | T387 T391 | T387-S389 PolarHBondContact O-N 3.37Å; S389-T391 PolarHBondContact O-N 3.44Å |
| 390 | T | 36 | Very low | 40 | Very low | 142 Ų | 142 | 133.6 Ų | 133.6 | 87% | 0.871 | 75% | 0.751 | S | S | * | * | | | trans | -60.1 | 111.3 | -178 | 44.4 | 0 | 0 | 0 | 0 | 112.2 | | |
| 391 | T | 39 | Very low | 40.3 | Very low | 125 Ų | 125 | 134 Ų | 134 | 77% | 0.767 | 76% | 0.758 | S | S | * | * | | | trans | -103.7 | 114.9 | 158.8 | -51 | 0 | 0 | 0 | 0 | 107.9 | S389 V393 | S389-T391 PolarHBondContact O-N 3.44Å; T391-V393 PolarHBondContact O-N 2.79Å |
| 392 | T | 38.6 | Very low | 40.4 | Very low | 138 Ų | 138 | 131.6 Ų | 131.6 | 85% | 0.847 | 76% | 0.762 | S | S | * | * | | | trans | -54.1 | 120.2 | 174.4 | 32.9 | 0 | 0 | 0 | 0 | 111.9 | | |
| 393 | V | 48.8 | Very low | 40.6 | Very low | 129 Ų | 129 | 131.4 Ų | 131.4 | 78% | 0.782 | 76% | 0.759 | S | S | * | * | | | trans | -136 | 129.6 | 163.4 | -158.9 | 0 | 0 | 0 | 0 | 108.3 | T391 | T391-V393 PolarHBondContact O-N 2.79Š|
| 394 | P | 38.8 | Very low | 41 | Very low | 119 Ų | 119 | 129.4 Ų | 129.4 | 77% | 0.773 | 77% | 0.765 | S | S | * | * | | | trans | -80.9 | 152.6 | -166.2 | 31.2 | -34 | 0 | 0 | 0 | 113.6 | | |
| 395 | S | 33.6 | Very low | 41.3 | Very low | 128 Ų | 128 | 129.2 Ų | 129.2 | 90% | 0.895 | 77% | 0.77 | S | S | * | * | | | trans | -58.1 | 122.4 | -177.2 | -41.6 | 0 | 0 | 0 | 0 | 114.6 | | |
| 396 | S | 42.5 | Very low | 42.1 | Very low | 113 Ų | 113 | 132.2 Ų | 132.2 | 79% | 0.79 | 78% | 0.778 | S | S | * | * | | | trans | -157.6 | 111 | 147.1 | 54.7 | 0 | 0 | 0 | 0 | 111.7 | | |
| 397 | S | 37.5 | Very low | 43.1 | Very low | 116 Ų | 116 | 131.8 Ų | 131.8 | 81% | 0.811 | 78% | 0.776 | S | S | * | * | | | trans | -22.8 | 120.6 | 166.4 | 47.9 | 0 | 0 | 0 | 0 | 117.8 | | |
| 398 | T | 42.8 | Very low | 44.7 | Very low | 150 Ų | 150 | 132.3 Ų | 132.3 | 92% | 0.92 | 77% | 0.765 | S | S | * | * | | | trans | -154.6 | 141.1 | 140.9 | -66.6 | 0 | 0 | 0 | 0 | 110.2 | | |
| 399 | R | 39.3 | Very low | 46.8 | Very low | 225 Ų | 225 | 134.6 Ų | 134.6 | 85% | 0.849 | 76% | 0.762 | S | S | * | * | | | trans | -78.7 | 136.7 | -159.8 | -71.6 | 165.6 | 164 | 169.6 | -7 | 115 | | |
| 400 | Q | 34.4 | Very low | 49.2 | Very low | 171 Ų | 171 | 131.3 Ų | 131.3 | 80% | 0.799 | 73% | 0.732 | S | S | * | * | S | Bend | trans | 49.6 | 89 | 137 | -61 | 179 | 2.5 | 0 | 0 | 118.7 | | |
| 401 | S | 41.6 | Very low | 51.7 | Low | 127 Ų | 127 | 129.2 Ų | 129.2 | 89% | 0.888 | 71% | 0.711 | S | S | * | * | S | Bend | trans | -176.3 | -11.5 | 145.9 | 57 | 0 | 0 | 0 | 0 | 113.3 | | |
| 402 | G | 42.1 | Very low | 54.2 | Low | 69 Ų | 69 | 123.7 Ų | 123.7 | 71% | 0.711 | 68% | 0.678 | S | S | * | * | S | Bend | trans | -97.3 | -5.1 | -175.4 | 0 | 0 | 0 | 0 | 0 | 118 | S404 | G402-S404 PolarHBondContact O-N 3.07Š|
| 403 | E | 42.5 | Very low | 56.4 | Low | 166 Ų | 166 | 121.3 Ų | 121.3 | 78% | 0.776 | 66% | 0.664 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -84.6 | 2.7 | -166.5 | -74.5 | 178.8 | 138.6 | 0 | 0 | 116.3 | | |
| 404 | S | 56.8 | Low | 58.2 | Low | 90 Ų | 90 | 119.2 Ų | 119.2 | 63% | 0.629 | 65% | 0.646 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -90.7 | -21.7 | -169.5 | -155.2 | 0 | 0 | 0 | 0 | 115.1 | G402 | G402-S404 PolarHBondContact O-N 3.07Š|
| 405 | L | 56.8 | Low | 60.2 | Low | 148 Ų | 148 | 120 Ų | 120 | 78% | 0.775 | 65% | 0.648 | S | S | * | * | S | Bend | trans | -82.9 | -34 | -175 | -81.1 | 159.3 | 0 | 0 | 0 | 113.2 | K407 R408 | L405-K407 PolarHBondContact O-N 2.87Å; L405-R408 PolarHBondContact O-N 3.32Å |
| 406 | E | 56.7 | Low | 62.6 | Low | 147 Ų | 147 | 122.7 Ų | 122.7 | 69% | 0.687 | 65% | 0.647 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -75.5 | -13.2 | -178.6 | -163.6 | 160.6 | -178.3 | 0 | 0 | 113.7 | | |
| 407 | K | 61.9 | Low | 64.8 | Low | 142 Ų | 142 | 118.7 Ų | 118.7 | 62% | 0.617 | 62% | 0.618 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -81.5 | -18.8 | 178.6 | -157.6 | 168 | -174 | 170.6 | 0 | 113.2 | L405 R409 A422 | L405-K407 PolarHBondContact O-N 2.87Å; K407-R409 PolarHBondContact O-N 3.24Å; K407-A422 HydrophobicContact CG-CB 4.42Å; K407-A422 WeakPolarHBondContact O-CA 3.27Å |
| 408 | R | 73.7 | Confident | 67.1 | Low | 126 Ų | 126 | 116 Ų | 116 | 48% | 0.475 | 61% | 0.609 | S | S | . | * | | | trans | -85.6 | 61 | -176.9 | -60.1 | 178.1 | 94.5 | 158.6 | 5.6 | 111.9 | L405 Y410 R420 F421 A422 | L405-R408 PolarHBondContact O-N 3.32Å; R408-Y410 VanDerWaalsContact C-N 3.31Å; R408-Y410 PolarHBondContact O-N 3.25Å; R408-R420 HydrophobicContact CB-CB 3.97Å; R408-R420 PolarHBondContact NE-O 3.4Å; R408-R420 PolarHBondContact NH2-O 2.77Å; R408-R420 VanDerWaalsContact NH2-O 3.09Å; R408-R420 PolarHBondContact O-NE 3.29Å; R408-F421 CarbonylContact C-O 3.3Å; R408-F421 VanDerWaalsContact C-O 3.3Å; R408-F421 VanDerWaalsContact CA-O 3.25Å; R408-F421 WeakPolarHBondContact CA-O 3.49Å; R408-A422 HydrophobicContact CG-CB 4.46Å |
| 409 | R | 82.3 | Confident | 69.2 | Low | 141 Ų | 141 | 113 Ų | 113 | 53% | 0.532 | 58% | 0.583 | S | S | . | * | | | trans | -74.1 | -17.7 | -174.3 | -63.8 | -174.6 | 179.4 | -172.5 | -2.7 | 114.2 | K407 F421 | K407-R409 PolarHBondContact O-N 3.24Å; R409-F421 PolarHBondContact N-O 3.2Å |
| 410 | Y | 87 | Confident | 71.7 | Confident | 45 Ų | 45 | 109.3 Ų | 109.3 | 18% | 0.176 | 57% | 0.57 | C | S | . | * | E | Extended strand (participates in β ladder) | trans | -102.1 | 114.4 | -173.2 | -59.2 | -80.7 | 0 | 0 | 0 | 109.8 | Y383 T385 R408 R420 F421 P424 | Y383-Y410 HydrophobicContact CD2-CD1 4.2Å; Y383-Y410 AromaticContact CD2-CE1 3.62Å; Y383-Y410 HydrophobicContact CD2-CE1 3.62Å; Y383-Y410 AromaticContact CE2-CE1 4Å; Y383-Y410 HydrophobicContact CE2-CE1 4Å; Y383-Y410 HydrophobicContact CG-CE1 4.36Å; T385-Y410 HydrophobicContact CG2-CE1 4.42Å; R408-Y410 VanDerWaalsContact C-N 3.31Å; R408-Y410 PolarHBondContact O-N 3.25Å; Y410-R420 CarbonylContact O-C 3.52Å; Y410-R420 WeakPolarHBondContact O-CA 3.3Å; Y410-F421 PolarHBondContact N-O 2.91Å; Y410-F421 VanDerWaalsContact N-O 3.12Å; Y410-F421 PolarHBondContact O-N 3.24Å; Y410-P424 HydrophobicContact CD1-CB 3.92Å; Y410-P424 HydrophobicContact CE1-CB 3.61Å; Y410-P424 HydrophobicContact CE1-CG 4.1Å; Y410-P424 HydrophobicContact CE2-CB 4.43Å; Y410-P424 VanDerWaalsContact CE2-CD 3.43Å; Y410-P424 HydrophobicContact CE2-CG 4.32Å; Y410-P424 HydrophobicContact CG-CB 4.43Å; Y410-P424 VanDerWaalsContact CZ-CD 3.47Å |
| 411 | F | 89.2 | Confident | 74.3 | Confident | 99 Ų | 99 | 102.7 Ų | 102.7 | 43% | 0.434 | 54% | 0.538 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.4 | 144.1 | -180 | 60.6 | -84.6 | 0 | 0 | 0 | 110.5 | L427 | F411-L427 VanDerWaalsContact C-CD1 3.41Å; F411-L427 VanDerWaalsContact O-CD1 3.27Å; F411-L427 WeakPolarHBondContact O-CD1 3.45Å; F411-L427 WeakPolarHBondContact O-CD2 3.34Å |
| 412 | C | 92 | Very high | 76.7 | Confident | 9 Ų | 9 | 98.3 Ų | 98.3 | 6% | 0.061 | 51% | 0.509 | C | S | . | . | | | trans | -66.3 | 127 | 167.2 | -167.4 | 0 | 0 | 0 | 0 | 108.8 | E414 C417 K419 L427 H430 H434 | C412-E414 PolarHBondContact O-N 3.41Å; C412-C417 HydrophobicContact CB-CB 4.09Å; C412-K419 PolarHBondContact N-O 3.1Å; C412-L427 HydrophobicContact CB-CD1 4.32Å; C412-H430 PolarHBondContact SG-NE2 3.36Å; C412-H434 PolarHBondContact SG-CD2 3.49Å; C412-H434 PolarHBondContact SG-NE2 2.9Å |
| 413 | P | 84.7 | Confident | 78.9 | Confident | 87 Ų | 87 | 102.2 Ų | 102.2 | 57% | 0.565 | 50% | 0.503 | S | S | * | . | S | Bend | trans | -71.3 | -15.4 | 178.5 | 30.5 | -33.1 | 0 | 0 | 0 | 111.9 | V415 H431 | P413-V415 PolarHBondContact O-N 3.09Å; P413-H431 WeakPolarHBondContact CD-CE1 3.48Å; P413-H431 WeakPolarHBondContact CD-NE2 3.26Å |
| 414 | E | 86.8 | Confident | 81.2 | Confident | 85 Ų | 85 | 95.9 Ų | 95.9 | 40% | 0.397 | 48% | 0.476 | S | S | . | . | | | trans | -70.9 | 113.6 | 174.8 | -170.3 | 57.1 | -125.1 | 0 | 0 | 110 | C412 Q416 C417 | C412-E414 PolarHBondContact O-N 3.41Å; E414-Q416 PolarHBondContact O-N 3.41Å; E414-C417 HydrophobicContact CB-CB 4Å; E414-C417 HydrophobicContact CG-CB 4.37Å; E414-C417 WeakPolarHBondContact O-CB 3.18Å; E414-C417 PolarHBondContact O-N 2.91Å |
| 415 | V | 79.8 | Confident | 82.8 | Confident | 135 Ų | 135 | 97.1 Ų | 97.1 | 82% | 0.818 | 48% | 0.476 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59 | -38.4 | -171.8 | 179.5 | 0 | 0 | 0 | 0 | 111.2 | P413 C417 | P413-V415 PolarHBondContact O-N 3.09Å; V415-C417 PolarHBondContact O-N 3.34Å |
| 416 | Q | 83.9 | Confident | 84.4 | Confident | 186 Ų | 186 | 92.4 Ų | 92.4 | 87% | 0.869 | 45% | 0.449 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -71.2 | -15.9 | 179 | -62.8 | -175.6 | -21.1 | 0 | 0 | 113.4 | E414 | E414-Q416 PolarHBondContact O-N 3.41Š|
| 417 | C | 88.4 | Confident | 86 | Confident | 28 Ų | 28 | 86 Ų | 86 | 19% | 0.189 | 42% | 0.42 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -86.1 | -43.8 | -175.3 | -163.6 | 0 | 0 | 0 | 0 | 113.1 | C412 E414 V415 K419 H430 H434 | C412-C417 HydrophobicContact CB-CB 4.09Å; E414-C417 HydrophobicContact CB-CB 4Å; E414-C417 HydrophobicContact CG-CB 4.37Å; E414-C417 WeakPolarHBondContact O-CB 3.18Å; E414-C417 PolarHBondContact O-N 2.91Å; V415-C417 PolarHBondContact O-N 3.34Å; C417-K419 PolarHBondContact O-N 3.04Å; C417-K419 VanDerWaalsContact SG-CD 3.58Å; C417-K419 VanDerWaalsContact SG-CG 3.56Å; C417-H430 PolarHBondContact SG-CE1 3.25Å; C417-H430 PolarHBondContact SG-NE2 3.44Å; C417-H434 PolarHBondContact SG-NE2 2.94Å; C417-H434 VanDerWaalsContact SG-NE2 3.36Å |
| 418 | G | 85.9 | Confident | 87.4 | Confident | 61 Ų | 61 | 85.5 Ų | 85.5 | 63% | 0.629 | 42% | 0.418 | S | S | * | . | | | trans | 59.1 | 3.8 | -178.8 | 0 | 0 | 0 | 0 | 0 | 116.1 | | |
| 419 | K | 87.5 | Confident | 88.2 | Confident | 86 Ų | 86 | 84.5 Ų | 84.5 | 37% | 0.374 | 41% | 0.414 | S | S | . | . | | | trans | -74.9 | 134.5 | -172.5 | -71.4 | -178.8 | -169.3 | 178.1 | 0 | 112 | C412 C417 F421 | C412-K419 PolarHBondContact N-O 3.1Å; C417-K419 PolarHBondContact O-N 3.04Å; C417-K419 VanDerWaalsContact SG-CD 3.58Å; C417-K419 VanDerWaalsContact SG-CG 3.56Å; K419-F421 HydrophobicContact CB-CE2 3.6Å; K419-F421 HydrophobicContact CB-CZ 3.71Å; K419-F421 HydrophobicContact CD-CZ 4.3Å |
| 420 | R | 91 | Very high | 88.6 | Confident | 148 Ų | 148 | 78.4 Ų | 78.4 | 56% | 0.558 | 39% | 0.391 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -115.1 | 134.5 | 177.5 | -55.7 | 179.3 | 76.2 | 152.2 | 5 | 111.3 | R408 Y410 | R408-R420 HydrophobicContact CB-CB 3.97Å; R408-R420 PolarHBondContact NE-O 3.4Å; R408-R420 PolarHBondContact NH2-O 2.77Å; R408-R420 VanDerWaalsContact NH2-O 3.09Å; R408-R420 PolarHBondContact O-NE 3.29Å; Y410-R420 CarbonylContact O-C 3.52Å; Y410-R420 WeakPolarHBondContact O-CA 3.3Å |
| 421 | F | 90.8 | Very high | 88.6 | Confident | 32 Ų | 32 | 77.5 Ų | 77.5 | 14% | 0.14 | 39% | 0.389 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.2 | 146.1 | -174.2 | -60.4 | -83.9 | 0 | 0 | 0 | 110.7 | R408 R409 Y410 K419 R423 E426 L427 H430 | R408-F421 CarbonylContact C-O 3.3Å; R408-F421 VanDerWaalsContact C-O 3.3Å; R408-F421 VanDerWaalsContact CA-O 3.25Å; R408-F421 WeakPolarHBondContact CA-O 3.49Å; R409-F421 PolarHBondContact N-O 3.2Å; Y410-F421 PolarHBondContact N-O 2.91Å; Y410-F421 VanDerWaalsContact N-O 3.12Å; Y410-F421 PolarHBondContact O-N 3.24Å; K419-F421 HydrophobicContact CB-CE2 3.6Å; K419-F421 HydrophobicContact CB-CZ 3.71Å; K419-F421 HydrophobicContact CD-CZ 4.3Å; F421-R423 VanDerWaalsContact C-N 3.33Å; F421-E426 HydrophobicContact CB-CB 3.98Å; F421-E426 HydrophobicContact CD1-CB 3.76Å; F421-E426 HydrophobicContact CG-CB 4.16Å; F421-L427 HydrophobicContact CB-CB 4.21Å; F421-L427 HydrophobicContact CD2-CB 4.07Å; F421-L427 HydrophobicContact CD2-CD1 3.46Å; F421-L427 VanDerWaalsContact CD2-CD1 3.46Å; F421-L427 HydrophobicContact CD2-CG 4.43Å; F421-L427 HydrophobicContact CE2-CD1 3.9Å; F421-L427 HydrophobicContact CG-CB 4.28Å; F421-L427 HydrophobicContact CG-CD1 4.44Å; F421-H430 HydrophobicContact CE1-CB 3.76Å; F421-H430 HydrophobicContact CE2-CB 3.76Å; F421-H430 AromaticContact CE2-CD2 3.15Å; F421-H430 WeakPolarHBondContact CE2-CD2 3.27Å; F421-H430 AromaticContact CE2-CG 3.48Å; F421-H430 VanDerWaalsContact CE2-CG 3.48Å; F421-H430 AromaticContact CE2-NE2 3.89Å; F421-H430 HydrophobicContact CZ-CB 3.29Å; F421-H430 AromaticContact CZ-CD2 3.29Å; F421-H430 WeakPolarHBondContact CZ-CD2 3.41Å; F421-H430 AromaticContact CZ-CG 3.09Å; F421-H430 AromaticContact CZ-ND1 3.7Å; F421-H430 AromaticContact CZ-NE2 3.93Å |
| 422 | A | 90.5 | Very high | 88.7 | Confident | 34 Ų | 34 | 76 Ų | 76 | 28% | 0.281 | 38% | 0.38 | S | S | . | . | S | Bend | trans | -78.6 | -23.1 | 179.7 | 0 | 0 | 0 | 0 | 0 | 112.3 | K407 R408 E426 | K407-A422 HydrophobicContact CG-CB 4.42Å; K407-A422 WeakPolarHBondContact O-CA 3.27Å; R408-A422 HydrophobicContact CG-CB 4.46Å; A422-E426 PolarHBondContact N-OE2 2.9Å |
| 423 | R | 88.8 | Confident | 88.6 | Confident | 152 Ų | 152 | 81.4 Ų | 81.4 | 57% | 0.574 | 41% | 0.407 | S | S | * | . | S | Bend | trans | -130.2 | 148.5 | -176.1 | -64 | -178.6 | -179.7 | 133 | -9.8 | 111.5 | F421 D425 E426 L427 | F421-R423 VanDerWaalsContact C-N 3.33Å; R423-D425 VanDerWaalsContact C-N 3.26Å; R423-D425 PolarHBondContact O-N 2.96Å; R423-E426 HydrophobicContact CB-CB 4.43Å; R423-E426 HydrophobicContact CB-CG 4.11Å; R423-E426 IonicContact NH1-OE1 2.9Å; R423-E426 PolarHBondContact NH1-OE1 3Å; R423-E426 PolarHBondContact O-N 3.34Å; R423-L427 PolarHBondContact O-N 3.04Å |
| 424 | P | 90.4 | Very high | 88.8 | Confident | 33 Ų | 33 | 81.2 Ų | 81.2 | 21% | 0.214 | 40% | 0.399 | C | S | . | . | H | α-helix | trans | -65.6 | -31.6 | 176.8 | 26.2 | -29.2 | 0 | 0 | 0 | 111.5 | Y383 Y410 E426 L427 K428 | Y383-P424 HydrophobicContact CE1-CB 4.45Å; Y410-P424 HydrophobicContact CD1-CB 3.92Å; Y410-P424 HydrophobicContact CE1-CB 3.61Å; Y410-P424 HydrophobicContact CE1-CG 4.1Å; Y410-P424 HydrophobicContact CE2-CB 4.43Å; Y410-P424 VanDerWaalsContact CE2-CD 3.43Å; Y410-P424 HydrophobicContact CE2-CG 4.32Å; Y410-P424 HydrophobicContact CG-CB 4.43Å; Y410-P424 VanDerWaalsContact CZ-CD 3.47Å; P424-E426 VanDerWaalsContact C-N 3.33Å; P424-E426 PolarHBondContact O-N 3.21Å; P424-L427 WeakPolarHBondContact O-CB 3.38Å; P424-L427 PolarHBondContact O-N 3.05Å; P424-K428 WeakPolarHBondContact O-CB 3.39Å; P424-K428 PolarHBondContact O-N 3.44Å |
| 425 | D | 89.8 | Confident | 88.8 | Confident | 116 Ų | 116 | 81.5 Ų | 81.5 | 62% | 0.62 | 41% | 0.406 | S | S | * | . | H | α-helix | trans | -66.6 | -34.8 | 177.4 | -59.1 | -44.2 | 0 | 0 | 0 | 112.7 | R423 R429 | R423-D425 VanDerWaalsContact C-N 3.26Å; R423-D425 PolarHBondContact O-N 2.96Å; D425-R429 VanDerWaalsContact O-CB 3.27Å; D425-R429 WeakPolarHBondContact O-CB 3.48Å; D425-R429 PolarHBondContact O-N 3.27Å |
| 426 | E | 90.5 | Very high | 89.2 | Confident | 48 Ų | 48 | 77.4 Ų | 77.4 | 22% | 0.224 | 39% | 0.391 | C | S | . | . | H | α-helix | trans | -68.7 | -42.2 | 175.4 | -69.8 | 167.8 | -169.2 | 0 | 0 | 110.6 | F421 A422 R423 P424 R429 H430 | F421-E426 HydrophobicContact CB-CB 3.98Å; F421-E426 HydrophobicContact CD1-CB 3.76Å; F421-E426 HydrophobicContact CG-CB 4.16Å; A422-E426 PolarHBondContact N-OE2 2.9Å; R423-E426 HydrophobicContact CB-CB 4.43Å; R423-E426 HydrophobicContact CB-CG 4.11Å; R423-E426 IonicContact NH1-OE1 2.9Å; R423-E426 PolarHBondContact NH1-OE1 3Å; R423-E426 PolarHBondContact O-N 3.34Å; P424-E426 VanDerWaalsContact C-N 3.33Å; P424-E426 PolarHBondContact O-N 3.21Å; E426-R429 PolarHBondContact O-N 2.89Å; E426-H430 VanDerWaalsContact O-CB 3.26Å; E426-H430 WeakPolarHBondContact O-CB 3.38Å; E426-H430 PolarHBondContact O-N 2.9Å |
| 427 | L | 91.8 | Very high | 89.4 | Confident | 12 Ų | 12 | 71.9 Ų | 71.9 | 6% | 0.063 | 37% | 0.37 | C | S | . | . | H | α-helix | trans | -60.5 | -49.7 | 172.6 | -178.8 | 70.9 | 0 | 0 | 0 | 111.1 | F411 C412 F421 R423 P424 R429 H430 H431 | F411-L427 VanDerWaalsContact C-CD1 3.41Å; F411-L427 VanDerWaalsContact O-CD1 3.27Å; F411-L427 WeakPolarHBondContact O-CD1 3.45Å; F411-L427 WeakPolarHBondContact O-CD2 3.34Å; C412-L427 HydrophobicContact CB-CD1 4.32Å; F421-L427 HydrophobicContact CB-CB 4.21Å; F421-L427 HydrophobicContact CD2-CB 4.07Å; F421-L427 HydrophobicContact CD2-CD1 3.46Å; F421-L427 VanDerWaalsContact CD2-CD1 3.46Å; F421-L427 HydrophobicContact CD2-CG 4.43Å; F421-L427 HydrophobicContact CE2-CD1 3.9Å; F421-L427 HydrophobicContact CG-CB 4.28Å; F421-L427 HydrophobicContact CG-CD1 4.44Å; R423-L427 PolarHBondContact O-N 3.04Å; P424-L427 WeakPolarHBondContact O-CB 3.38Å; P424-L427 PolarHBondContact O-N 3.05Å; L427-R429 VanDerWaalsContact C-N 3.32Å; L427-R429 PolarHBondContact O-N 3.45Å; L427-H430 CarbonylContact O-C 3.55Å; L427-H430 WeakPolarHBondContact O-CA 3.25Å; L427-H430 WeakPolarHBondContact O-CB 3.48Å; L427-H430 PolarHBondContact O-N 3.37Å; L427-H430 VanDerWaalsContact O-N 3.07Å; L427-H431 WeakPolarHBondContact CD1-NE2 3.1Å; L427-H431 VanDerWaalsContact CG-NE2 3.3Å; L427-H431 WeakPolarHBondContact CG-NE2 3.48Å; L427-H431 PolarHBondContact O-CD2 3.34Å; L427-H431 VanDerWaalsContact O-CD2 3.24Å; L427-H431 PolarHBondContact O-N 3.36Å |
| 428 | K | 90.3 | Very high | 89.5 | Confident | 132 Ų | 132 | 76.5 Ų | 76.5 | 57% | 0.574 | 39% | 0.387 | S | S | * | . | H | α-helix | trans | -59.2 | -42.5 | 178.6 | -174.3 | 175.8 | -175.8 | 175.2 | 0 | 111.7 | P424 H431 R432 | P424-K428 WeakPolarHBondContact O-CB 3.39Å; P424-K428 PolarHBondContact O-N 3.44Å; K428-H431 PolarHBondContact O-N 3.43Å; K428-R432 WeakPolarHBondContact O-CG 3.15Å; K428-R432 PolarHBondContact O-N 3.3Å |
| 429 | R | 90.2 | Very high | 89.7 | Confident | 105 Ų | 105 | 77.2 Ų | 77.2 | 40% | 0.396 | 38% | 0.381 | S | S | . | . | H | α-helix | trans | -65.8 | -39.2 | 174.9 | -176.8 | 177.5 | 65.7 | -179.1 | -4.7 | 111.6 | D425 E426 L427 R432 R451 | D425-R429 VanDerWaalsContact O-CB 3.27Å; D425-R429 WeakPolarHBondContact O-CB 3.48Å; D425-R429 PolarHBondContact O-N 3.27Å; E426-R429 PolarHBondContact O-N 2.89Å; L427-R429 VanDerWaalsContact C-N 3.32Å; L427-R429 PolarHBondContact O-N 3.45Å; R429-R432 WeakPolarHBondContact O-CB 2.93Å; R429-R432 PolarHBondContact O-N 2.87Å; R429-R451 HydrophobicContact CG-CG 3.96Å |
| 430 | H | 90.4 | Very high | 89.9 | Confident | 13 Ų | 13 | 76 Ų | 76 | 6% | 0.06 | 38% | 0.376 | C | S | . | . | H | α-helix | trans | -67 | -41 | 176.3 | 167.8 | 61.7 | 0 | 0 | 0 | 112.5 | C412 C417 F421 E426 L427 R432 I433 H434 | C412-H430 PolarHBondContact SG-NE2 3.36Å; C417-H430 PolarHBondContact SG-CE1 3.25Å; C417-H430 PolarHBondContact SG-NE2 3.44Å; F421-H430 HydrophobicContact CE1-CB 3.76Å; F421-H430 HydrophobicContact CE2-CB 3.76Å; F421-H430 AromaticContact CE2-CD2 3.15Å; F421-H430 WeakPolarHBondContact CE2-CD2 3.27Å; F421-H430 AromaticContact CE2-CG 3.48Å; F421-H430 VanDerWaalsContact CE2-CG 3.48Å; F421-H430 AromaticContact CE2-NE2 3.89Å; F421-H430 HydrophobicContact CZ-CB 3.29Å; F421-H430 AromaticContact CZ-CD2 3.29Å; F421-H430 WeakPolarHBondContact CZ-CD2 3.41Å; F421-H430 AromaticContact CZ-CG 3.09Å; F421-H430 AromaticContact CZ-ND1 3.7Å; F421-H430 AromaticContact CZ-NE2 3.93Å; E426-H430 VanDerWaalsContact O-CB 3.26Å; E426-H430 WeakPolarHBondContact O-CB 3.38Å; E426-H430 PolarHBondContact O-N 2.9Å; L427-H430 CarbonylContact O-C 3.55Å; L427-H430 WeakPolarHBondContact O-CA 3.25Å; L427-H430 WeakPolarHBondContact O-CB 3.48Å; L427-H430 PolarHBondContact O-N 3.37Å; L427-H430 VanDerWaalsContact O-N 3.07Å; H430-R432 PolarHBondContact O-N 3.08Å; H430-R432 VanDerWaalsContact O-N 3.1Å; H430-I433 WeakPolarHBondContact O-CB 3.32Å; H430-I433 WeakPolarHBondContact O-CG1 3.41Å; H430-I433 PolarHBondContact O-N 3.47Å; H430-H434 AromaticContact CE1-NE2 3.44Å; H430-H434 PolarHBondContact CE1-NE2 3.48Å; H430-H434 AromaticContact NE2-CD2 3.76Å; H430-H434 AromaticContact NE2-NE2 3.25Å; H430-H434 PolarHBondContact NE2-NE2 3.27Å |
| 431 | H | 88.5 | Confident | 90 | Very high | 26 Ų | 26 | 75.6 Ų | 75.6 | 12% | 0.12 | 38% | 0.382 | C | S | . | . | H | α-helix | trans | -59.1 | -23 | 175.5 | -73.4 | -169 | 0 | 0 | 0 | 113.4 | P413 L427 K428 I433 H434 T435 | P413-H431 WeakPolarHBondContact CD-CE1 3.48Å; P413-H431 WeakPolarHBondContact CD-NE2 3.26Å; L427-H431 WeakPolarHBondContact CD1-NE2 3.1Å; L427-H431 VanDerWaalsContact CG-NE2 3.3Å; L427-H431 WeakPolarHBondContact CG-NE2 3.48Å; L427-H431 PolarHBondContact O-CD2 3.34Å; L427-H431 VanDerWaalsContact O-CD2 3.24Å; L427-H431 PolarHBondContact O-N 3.36Å; K428-H431 PolarHBondContact O-N 3.43Å; H431-I433 PolarHBondContact O-N 3.16Å; H431-H434 PolarHBondContact O-N 3.34Å; H431-H434 VanDerWaalsContact O-N 3.13Å; H431-T435 PolarHBondContact O-N 3.27Å; H431-T435 PolarHBondContact O-OG1 3.45Å |
| 432 | R | 90.6 | Very high | 90.1 | Very high | 67 Ų | 67 | 74.3 Ų | 74.3 | 25% | 0.253 | 38% | 0.377 | S | S | . | . | H | α-helix | trans | -61.7 | -23.8 | 172.3 | -60.4 | -175.5 | -177 | 175.7 | -4.1 | 113 | K428 R429 H430 T435 G436 T437 G450 | K428-R432 WeakPolarHBondContact O-CG 3.15Å; K428-R432 PolarHBondContact O-N 3.3Å; R429-R432 WeakPolarHBondContact O-CB 2.93Å; R429-R432 PolarHBondContact O-N 2.87Å; H430-R432 PolarHBondContact O-N 3.08Å; H430-R432 VanDerWaalsContact O-N 3.1Å; R432-T435 WeakPolarHBondContact CA-OG1 3.46Å; R432-G436 CarbonylContact O-C 3.49Å; R432-G436 WeakPolarHBondContact O-CA 3.45Å; R432-G436 PolarHBondContact O-N 2.89Å; R432-T437 WeakPolarHBondContact CG-OG1 3.32Å; R432-T437 PolarHBondContact O-N 3.38Å; R432-G450 WeakPolarHBondContact CD-O 3.29Å; R432-G450 PolarHBondContact NH1-O 2.74Å |
| 433 | I | 89 | Confident | 90.2 | Very high | 124 Ų | 124 | 80.8 Ų | 80.8 | 64% | 0.636 | 40% | 0.399 | S | S | * | . | H | α-helix | trans | -71.8 | -41.4 | 175.6 | -55.9 | 173.6 | 0 | 0 | 0 | 110 | H430 H431 | H430-I433 WeakPolarHBondContact O-CB 3.32Å; H430-I433 WeakPolarHBondContact O-CG1 3.41Å; H430-I433 PolarHBondContact O-N 3.47Å; H431-I433 PolarHBondContact O-N 3.16Å |
| 434 | H | 89.6 | Confident | 90.4 | Very high | 83 Ų | 83 | 80.5 Ų | 80.5 | 38% | 0.384 | 40% | 0.399 | S | S | . | . | H | α-helix | trans | -71.7 | -41.7 | 177.1 | -67 | -65.2 | 0 | 0 | 0 | 112.6 | C412 C417 H430 H431 G436 | C412-H434 PolarHBondContact SG-CD2 3.49Å; C412-H434 PolarHBondContact SG-NE2 2.9Å; C417-H434 PolarHBondContact SG-NE2 2.94Å; C417-H434 VanDerWaalsContact SG-NE2 3.36Å; H430-H434 AromaticContact CE1-NE2 3.44Å; H430-H434 PolarHBondContact CE1-NE2 3.48Å; H430-H434 AromaticContact NE2-CD2 3.76Å; H430-H434 AromaticContact NE2-NE2 3.25Å; H430-H434 PolarHBondContact NE2-NE2 3.27Å; H431-H434 PolarHBondContact O-N 3.34Å; H431-H434 VanDerWaalsContact O-N 3.13Å; H434-G436 VanDerWaalsContact C-N 3.28Å; H434-G436 PolarHBondContact O-N 2.88Å |
| 435 | T | 87.7 | Confident | 90.5 | Very high | 90 Ų | 90 | 80.4 Ų | 80.4 | 55% | 0.552 | 40% | 0.399 | S | S | * | . | S | Bend | trans | -80 | -7.8 | -179.9 | 55.4 | 0 | 0 | 0 | 0 | 113.6 | H431 R432 T437 | H431-T435 PolarHBondContact O-N 3.27Å; H431-T435 PolarHBondContact O-OG1 3.45Å; R432-T435 WeakPolarHBondContact CA-OG1 3.46Å; T435-T437 PolarHBondContact O-N 3.47Å; T435-T437 WeakPolarHBondContact OG1-CG2 3.43Å; T435-T437 PolarHBondContact OG1-OG1 3.46Å |
| 436 | G | 87.4 | Confident | 90.6 | Very high | 49 Ų | 49 | 81 Ų | 81 | 51% | 0.505 | 41% | 0.408 | S | S | . | . | | | trans | 64.1 | 6.1 | -173 | 0 | 0 | 0 | 0 | 0 | 115 | R432 H434 K438 | R432-G436 CarbonylContact O-C 3.49Å; R432-G436 WeakPolarHBondContact O-CA 3.45Å; R432-G436 PolarHBondContact O-N 2.89Å; H434-G436 VanDerWaalsContact C-N 3.28Å; H434-G436 PolarHBondContact O-N 2.88Å; G436-K438 PolarHBondContact O-N 3.33Å |
| 437 | T | 87.5 | Confident | 90.6 | Very high | 70 Ų | 70 | 86.5 Ų | 86.5 | 43% | 0.429 | 43% | 0.427 | S | S | . | . | | | trans | -68.9 | 123.7 | -172 | 52.1 | 0 | 0 | 0 | 0 | 112.3 | R432 T435 P439 | R432-T437 WeakPolarHBondContact CG-OG1 3.32Å; R432-T437 PolarHBondContact O-N 3.38Å; T435-T437 PolarHBondContact O-N 3.47Å; T435-T437 WeakPolarHBondContact OG1-CG2 3.43Å; T435-T437 PolarHBondContact OG1-OG1 3.46Å; T437-P439 WeakPolarHBondContact O-CD 3.4Å |
| 438 | K | 90.4 | Very high | 90.6 | Very high | 125 Ų | 125 | 88 Ų | 88 | 54% | 0.543 | 44% | 0.439 | S | S | . | . | | | trans | -122.3 | 78.2 | -178.6 | -70.9 | 171.3 | 174.4 | -176.9 | 0 | 111.2 | G436 F440 S448 F449 | G436-K438 PolarHBondContact O-N 3.33Å; K438-F440 PolarHBondContact O-N 2.79Å; K438-S448 VanDerWaalsContact CB-OG 3.32Å; K438-S448 WeakPolarHBondContact CB-OG 3.09Å; K438-S448 WeakPolarHBondContact CD-O 3.21Å; K438-S448 WeakPolarHBondContact CD-OG 3.37Å; K438-F449 CarbonylContact C-O 3.36Å; K438-F449 WeakPolarHBondContact CA-O 3.42Å |
| 439 | P | 90.2 | Very high | 90.6 | Very high | 77 Ų | 77 | 83.8 Ų | 83.8 | 50% | 0.5 | 42% | 0.42 | S | S | . | . | | | trans | -71.6 | -11.7 | -171.7 | 27.7 | -34.1 | 0 | 0 | 0 | 114.5 | T437 | T437-P439 WeakPolarHBondContact O-CD 3.4Š|
| 440 | F | 92.5 | Very high | 90.6 | Very high | 61 Ų | 61 | 79.7 Ų | 79.7 | 27% | 0.268 | 41% | 0.411 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.7 | 101.2 | -173.7 | -58 | -72.5 | 0 | 0 | 0 | 111.3 | K438 S448 F449 S452 L455 | K438-F440 PolarHBondContact O-N 2.79Å; F440-S448 CarbonylContact O-C 3.49Å; F440-S448 VanDerWaalsContact O-CA 3.32Å; F440-S448 WeakPolarHBondContact O-CA 3.43Å; F440-F449 HydrophobicContact CB-CB 4.41Å; F440-F449 WeakPolarHBondContact CB-O 3.39Å; F440-F449 WeakPolarHBondContact CD2-O 3.32Å; F440-F449 PolarHBondContact N-O 3.34Å; F440-F449 VanDerWaalsContact N-O 3.1Å; F440-F449 PolarHBondContact O-N 3.09Å; F440-S452 VanDerWaalsContact CD2-N 3.28Å; F440-L455 HydrophobicContact CB-CB 4Å; F440-L455 HydrophobicContact CB-CD2 3.78Å; F440-L455 HydrophobicContact CB-CG 4.48Å |
| 441 | M | 92.2 | Very high | 90.6 | Very high | 138 Ų | 138 | 82.7 Ų | 82.7 | 68% | 0.68 | 42% | 0.422 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -89.5 | 141.2 | 179.4 | -170.5 | -175.2 | -70.1 | 0 | 0 | 111.9 | L455 | M441-L455 WeakPolarHBondContact O-CD2 3.29Å |
| 442 | C | 93.9 | Very high | 90.8 | Very high | 6 Ų | 6 | 84.7 Ų | 84.7 | 4% | 0.041 | 44% | 0.439 | C | S | . | . | | | trans | -74.7 | 137.4 | 170.3 | -173.5 | 0 | 0 | 0 | 0 | 111.6 | Y444 C445 R447 L455 H458 | C442-Y444 VanDerWaalsContact C-N 3.3Å; C442-Y444 PolarHBondContact O-N 3.36Å; C442-Y444 PolarHBondContact SG-N 2.94Å; C442-C445 WeakPolarHBondContact CB-O 3.35Å; C442-R447 WeakPolarHBondContact CB-O 3.36Å; C442-R447 PolarHBondContact N-O 3.43Å; C442-L455 HydrophobicContact CB-CD1 3.86Å; C442-H458 PolarHBondContact SG-CD2 2.89Å; C442-H458 PolarHBondContact SG-NE2 2.86Å |
| 443 | K | 92.8 | Very high | 90.8 | Very high | 169 Ų | 169 | 83.9 Ų | 83.9 | 74% | 0.735 | 44% | 0.439 | S | S | * | . | S | Bend | trans | -75 | -19.4 | 177.5 | -63.8 | -174 | 178.4 | -175.7 | 0 | 113.4 | | |
| 444 | Y | 92 | Very high | 90.9 | Very high | 147 Ų | 147 | 81.9 Ų | 81.9 | 58% | 0.576 | 43% | 0.427 | S | S | * | . | S | Bend | trans | -105.9 | -13 | -173.8 | -55.3 | -72.3 | 0 | 0 | 0 | 113.4 | C442 H462 | C442-Y444 VanDerWaalsContact C-N 3.3Å; C442-Y444 PolarHBondContact O-N 3.36Å; C442-Y444 PolarHBondContact SG-N 2.94Å; Y444-H462 HydrophobicContact CD2-CB 3.61Å; Y444-H462 AromaticContact CD2-CD2 3.81Å; Y444-H462 AromaticContact CD2-CG 3.74Å; Y444-H462 HydrophobicContact CE2-CB 4.15Å; Y444-H462 HydrophobicContact CG-CB 3.94Å; Y444-H462 AromaticContact CG-CG 3.86Å |
| 445 | C | 93 | Very high | 91.1 | Very high | 31 Ų | 31 | 79.4 Ų | 79.4 | 21% | 0.209 | 42% | 0.417 | C | S | . | . | S | Bend | trans | -154.9 | 161.9 | 179.4 | 75.2 | 0 | 0 | 0 | 0 | 110.7 | C442 R447 H458 | C442-C445 WeakPolarHBondContact CB-O 3.35Å; C445-R447 PolarHBondContact O-N 3.21Å; C445-H458 PolarHBondContact SG-NE2 2.65Å |
| 446 | P | 92.5 | Very high | 91.4 | Very high | 127 Ų | 127 | 82.3 Ų | 82.3 | 83% | 0.825 | 42% | 0.418 | S | S | * | . | S | Bend | trans | -71.7 | 6.3 | -174.6 | 29.2 | -36.1 | 0 | 0 | 0 | 114.4 | | |
| 447 | R | 90.5 | Very high | 91.6 | Very high | 165 Ų | 165 | 82.3 Ų | 82.3 | 62% | 0.623 | 41% | 0.408 | S | S | * | . | | | trans | -73.5 | 130.8 | -177.2 | -68.3 | -174.2 | 175.3 | -179.8 | -0.6 | 111.3 | C442 C445 F449 | C442-R447 WeakPolarHBondContact CB-O 3.36Å; C442-R447 PolarHBondContact N-O 3.43Å; C445-R447 PolarHBondContact O-N 3.21Å; R447-F449 HydrophobicContact CB-CE2 3.95Å; R447-F449 HydrophobicContact CB-CZ 4.05Å |
| 448 | S | 91.5 | Very high | 91.8 | Very high | 43 Ų | 43 | 80 Ų | 80 | 30% | 0.301 | 39% | 0.392 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.8 | 149.9 | 172.9 | 62.5 | 0 | 0 | 0 | 0 | 111.6 | K438 F440 | K438-S448 VanDerWaalsContact CB-OG 3.32Å; K438-S448 WeakPolarHBondContact CB-OG 3.09Å; K438-S448 WeakPolarHBondContact CD-O 3.21Å; K438-S448 WeakPolarHBondContact CD-OG 3.37Å; F440-S448 CarbonylContact O-C 3.49Å; F440-S448 VanDerWaalsContact O-CA 3.32Å; F440-S448 WeakPolarHBondContact O-CA 3.43Å |
| 449 | F | 90.9 | Very high | 91.9 | Very high | 44 Ų | 44 | 75.9 Ų | 75.9 | 19% | 0.193 | 38% | 0.377 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129 | 145 | -175 | -59.7 | -88.4 | 0 | 0 | 0 | 111.1 | K438 F440 R447 R451 H454 L455 H458 | K438-F449 CarbonylContact C-O 3.36Å; K438-F449 WeakPolarHBondContact CA-O 3.42Å; F440-F449 HydrophobicContact CB-CB 4.41Å; F440-F449 WeakPolarHBondContact CB-O 3.39Å; F440-F449 WeakPolarHBondContact CD2-O 3.32Å; F440-F449 PolarHBondContact N-O 3.34Å; F440-F449 VanDerWaalsContact N-O 3.1Å; F440-F449 PolarHBondContact O-N 3.09Å; R447-F449 HydrophobicContact CB-CE2 3.95Å; R447-F449 HydrophobicContact CB-CZ 4.05Å; F449-R451 PolarHBondContact O-N 3.2Å; F449-H454 HydrophobicContact CB-CB 4.24Å; F449-H454 HydrophobicContact CD1-CB 3.96Å; F449-H454 HydrophobicContact CG-CB 4.31Å; F449-L455 HydrophobicContact CB-CB 4.38Å; F449-L455 HydrophobicContact CD2-CB 3.97Å; F449-L455 HydrophobicContact CD2-CD1 3.88Å; F449-L455 HydrophobicContact CE2-CD1 4.08Å; F449-L455 HydrophobicContact CG-CB 4.38Å; F449-H458 HydrophobicContact CE1-CB 4.13Å; F449-H458 HydrophobicContact CE2-CB 3.81Å; F449-H458 AromaticContact CE2-CD2 3.39Å; F449-H458 WeakPolarHBondContact CE2-CD2 3.41Å; F449-H458 AromaticContact CE2-CG 3.57Å; F449-H458 HydrophobicContact CZ-CB 3.48Å; F449-H458 VanDerWaalsContact CZ-CB 3.48Å; F449-H458 AromaticContact CZ-CD2 3.58Å; F449-H458 AromaticContact CZ-CG 3.28Å; F449-H458 AromaticContact CZ-ND1 3.81Å |
| 450 | G | 89.9 | Confident | 92.1 | Very high | 19 Ų | 19 | 73.8 Ų | 73.8 | 20% | 0.196 | 36% | 0.359 | C | S | . | . | S | Bend | trans | -71.5 | -16.5 | 175.6 | 0 | 0 | 0 | 0 | 0 | 114 | R432 | R432-G450 WeakPolarHBondContact CD-O 3.29Å; R432-G450 PolarHBondContact NH1-O 2.74Å |
| 451 | R | 90.5 | Very high | 92.1 | Very high | 75 Ų | 75 | 74.9 Ų | 74.9 | 28% | 0.283 | 38% | 0.375 | S | S | . | . | S | Bend | trans | -137.5 | 145.4 | -176.7 | -57.1 | 171.5 | 44 | 169.8 | 0.8 | 112.4 | R429 F449 D453 H454 L455 | R429-R451 HydrophobicContact CG-CG 3.96Å; F449-R451 PolarHBondContact O-N 3.2Å; R451-D453 WeakPolarHBondContact CB-OD1 3.45Å; R451-D453 IonicContact CZ-OD1 3.56Å; R451-D453 IonicContact CZ-OD2 3.16Å; R451-D453 IonicContact NE-OD1 2.65Å; R451-D453 PolarHBondContact NE-OD1 3.19Å; R451-D453 IonicContact NE-OD2 2.69Å; R451-D453 IonicContact NH2-OD1 2.76Å; R451-D453 PolarHBondContact NH2-OD1 3.43Å; R451-D453 IonicContact NH2-OD2 3.2Å; R451-D453 PolarHBondContact NH2-OD2 3.45Å; R451-H454 WeakPolarHBondContact CD-NE2 3.39Å; R451-H454 PolarHBondContact O-N 2.81Å; R451-L455 PolarHBondContact O-N 3.32Å |
| 452 | S | 92.5 | Very high | 92 | Very high | 69 Ų | 69 | 72 Ų | 72 | 48% | 0.483 | 36% | 0.359 | S | S | . | . | H | α-helix | trans | -70.3 | -33 | -177.4 | 54.3 | 0 | 0 | 0 | 0 | 113 | F440 H454 L455 R456 | F440-S452 VanDerWaalsContact CD2-N 3.28Å; S452-H454 VanDerWaalsContact C-N 3.35Å; S452-L455 PolarHBondContact O-N 3.44Å; S452-R456 PolarHBondContact O-N 3.14Å |
| 453 | D | 90.2 | Very high | 91.9 | Very high | 50 Ų | 50 | 74.9 Ų | 74.9 | 27% | 0.267 | 38% | 0.377 | S | S | . | . | H | α-helix | trans | -67.6 | -36.2 | 177.3 | 61.6 | -48.8 | 0 | 0 | 0 | 112 | R451 R456 T457 | R451-D453 WeakPolarHBondContact CB-OD1 3.45Å; R451-D453 IonicContact CZ-OD1 3.56Å; R451-D453 IonicContact CZ-OD2 3.16Å; R451-D453 IonicContact NE-OD1 2.65Å; R451-D453 PolarHBondContact NE-OD1 3.19Å; R451-D453 IonicContact NE-OD2 2.69Å; R451-D453 IonicContact NH2-OD1 2.76Å; R451-D453 PolarHBondContact NH2-OD1 3.43Å; R451-D453 IonicContact NH2-OD2 3.2Å; R451-D453 PolarHBondContact NH2-OD2 3.45Å; D453-R456 PolarHBondContact O-N 2.87Å; D453-T457 PolarHBondContact O-N 3.08Å; D453-T457 PolarHBondContact O-OG1 3.03Å |
| 454 | H | 91.7 | Very high | 91.8 | Very high | 82 Ų | 82 | 69 Ų | 69 | 38% | 0.38 | 37% | 0.365 | S | S | . | . | H | α-helix | trans | -65.7 | -43.1 | 172.2 | -63.9 | -30.5 | 0 | 0 | 0 | 112 | F449 R451 S452 R456 T457 H458 | F449-H454 HydrophobicContact CB-CB 4.24Å; F449-H454 HydrophobicContact CD1-CB 3.96Å; F449-H454 HydrophobicContact CG-CB 4.31Å; R451-H454 WeakPolarHBondContact CD-NE2 3.39Å; R451-H454 PolarHBondContact O-N 2.81Å; S452-H454 VanDerWaalsContact C-N 3.35Å; H454-R456 VanDerWaalsContact C-N 3.33Å; H454-R456 PolarHBondContact O-N 3.36Å; H454-T457 WeakPolarHBondContact CA-OG1 3.44Å; H454-T457 PolarHBondContact O-N 3.05Å; H454-T457 PolarHBondContact O-OG1 3.29Å; H454-H458 VanDerWaalsContact O-CB 3.29Å; H454-H458 WeakPolarHBondContact O-CB 3.41Å; H454-H458 PolarHBondContact O-N 2.89Å |
| 455 | L | 94.1 | Very high | 91.8 | Very high | 31 Ų | 31 | 67.3 Ų | 67.3 | 16% | 0.162 | 36% | 0.362 | C | S | . | . | H | α-helix | trans | -58.1 | -46.7 | 172.1 | 173.1 | 61.9 | 0 | 0 | 0 | 110.7 | F440 M441 C442 F449 R451 S452 T457 H458 T459 | F440-L455 HydrophobicContact CB-CB 4Å; F440-L455 HydrophobicContact CB-CD2 3.78Å; F440-L455 HydrophobicContact CB-CG 4.48Å; M441-L455 WeakPolarHBondContact O-CD2 3.29Å; C442-L455 HydrophobicContact CB-CD1 3.86Å; F449-L455 HydrophobicContact CB-CB 4.38Å; F449-L455 HydrophobicContact CD2-CB 3.97Å; F449-L455 HydrophobicContact CD2-CD1 3.88Å; F449-L455 HydrophobicContact CE2-CD1 4.08Å; F449-L455 HydrophobicContact CG-CB 4.38Å; R451-L455 PolarHBondContact O-N 3.32Å; S452-L455 PolarHBondContact O-N 3.44Å; L455-T457 PolarHBondContact O-N 3.15Å; L455-H458 CarbonylContact O-C 3.54Å; L455-H458 WeakPolarHBondContact O-CA 3.39Å; L455-H458 WeakPolarHBondContact O-CB 3.47Å; L455-H458 PolarHBondContact O-N 3.01Å; L455-H458 VanDerWaalsContact O-N 3.09Å; L455-T459 HydrophobicContact CD1-CG2 3.93Å; L455-T459 HydrophobicContact CG-CG2 4.31Å; L455-T459 WeakPolarHBondContact O-CG2 3.45Å; L455-T459 PolarHBondContact O-N 2.78Å; L455-T459 PolarHBondContact O-OG1 3.29Å |
| 456 | R | 93.1 | Very high | 91.8 | Very high | 151 Ų | 151 | 71.5 Ų | 71.5 | 57% | 0.57 | 37% | 0.373 | S | S | * | . | H | α-helix | trans | -62.6 | -40.1 | 179.4 | -174.4 | 176.5 | 63.9 | -173.9 | -1.1 | 113 | S452 D453 H454 H458 T459 R460 | S452-R456 PolarHBondContact O-N 3.14Å; D453-R456 PolarHBondContact O-N 2.87Å; H454-R456 VanDerWaalsContact C-N 3.33Å; H454-R456 PolarHBondContact O-N 3.36Å; R456-H458 VanDerWaalsContact C-N 3.3Å; R456-T459 WeakPolarHBondContact CA-OG1 3.39Å; R456-T459 PolarHBondContact O-OG1 3Å; R456-R460 PolarHBondContact O-N 3.47Å |
| 457 | T | 91.9 | Very high | 91.8 | Very high | 48 Ų | 48 | 68.7 Ų | 68.7 | 29% | 0.294 | 36% | 0.355 | S | S | . | . | H | α-helix | trans | -68.4 | -33.8 | 173.9 | 50.6 | 0 | 0 | 0 | 0 | 111.8 | D453 H454 L455 R479 | D453-T457 PolarHBondContact O-N 3.08Å; D453-T457 PolarHBondContact O-OG1 3.03Å; H454-T457 WeakPolarHBondContact CA-OG1 3.44Å; H454-T457 PolarHBondContact O-N 3.05Å; H454-T457 PolarHBondContact O-OG1 3.29Å; L455-T457 PolarHBondContact O-N 3.15Å; T457-R479 HydrophobicContact CG2-CG 4.03Å |
| 458 | H | 92.4 | Very high | 91.9 | Very high | 23 Ų | 23 | 63.9 Ų | 63.9 | 11% | 0.106 | 34% | 0.337 | C | S | . | . | H | α-helix | trans | -69.5 | -41.8 | 175.4 | 170.7 | 65.5 | 0 | 0 | 0 | 111.9 | C442 C445 F449 H454 L455 R456 R460 S461 H462 | C442-H458 PolarHBondContact SG-CD2 2.89Å; C442-H458 PolarHBondContact SG-NE2 2.86Å; C445-H458 PolarHBondContact SG-NE2 2.65Å; F449-H458 HydrophobicContact CE1-CB 4.13Å; F449-H458 HydrophobicContact CE2-CB 3.81Å; F449-H458 AromaticContact CE2-CD2 3.39Å; F449-H458 WeakPolarHBondContact CE2-CD2 3.41Å; F449-H458 AromaticContact CE2-CG 3.57Å; F449-H458 HydrophobicContact CZ-CB 3.48Å; F449-H458 VanDerWaalsContact CZ-CB 3.48Å; F449-H458 AromaticContact CZ-CD2 3.58Å; F449-H458 AromaticContact CZ-CG 3.28Å; F449-H458 AromaticContact CZ-ND1 3.81Å; H454-H458 VanDerWaalsContact O-CB 3.29Å; H454-H458 WeakPolarHBondContact O-CB 3.41Å; H454-H458 PolarHBondContact O-N 2.89Å; L455-H458 CarbonylContact O-C 3.54Å; L455-H458 WeakPolarHBondContact O-CA 3.39Å; L455-H458 WeakPolarHBondContact O-CB 3.47Å; L455-H458 PolarHBondContact O-N 3.01Å; L455-H458 VanDerWaalsContact O-N 3.09Å; R456-H458 VanDerWaalsContact C-N 3.3Å; H458-R460 PolarHBondContact O-N 3.38Å; H458-R460 VanDerWaalsContact O-N 3.15Å; H458-S461 WeakPolarHBondContact O-CB 3.42Å; H458-S461 PolarHBondContact O-N 2.76Å; H458-S461 PolarHBondContact O-OG 3.01Å; H458-H462 AromaticContact CE1-NE2 3.51Å; H458-H462 AromaticContact NE2-CD2 3.67Å; H458-H462 AromaticContact NE2-NE2 3.19Å; H458-H462 PolarHBondContact NE2-NE2 2.93Å; H458-H462 VanDerWaalsContact NE2-NE2 3.19Å |
| 459 | T | 92.2 | Very high | 91.9 | Very high | 37 Ų | 37 | 64.8 Ų | 64.8 | 23% | 0.227 | 34% | 0.341 | C | S | . | . | H | α-helix | trans | -61.2 | -27.6 | 178.5 | 52.3 | 0 | 0 | 0 | 0 | 112.5 | L455 R456 S461 H462 T463 | L455-T459 HydrophobicContact CD1-CG2 3.93Å; L455-T459 HydrophobicContact CG-CG2 4.31Å; L455-T459 WeakPolarHBondContact O-CG2 3.45Å; L455-T459 PolarHBondContact O-N 2.78Å; L455-T459 PolarHBondContact O-OG1 3.29Å; R456-T459 WeakPolarHBondContact CA-OG1 3.39Å; R456-T459 PolarHBondContact O-OG1 3Å; T459-S461 PolarHBondContact O-N 2.78Å; T459-H462 WeakPolarHBondContact O-CB 3.38Å; T459-H462 PolarHBondContact O-N 3.48Å; T459-T463 PolarHBondContact O-N 2.8Å; T459-T463 PolarHBondContact O-OG1 3.38Å |
| 460 | R | 93.5 | Very high | 92.1 | Very high | 33 Ų | 33 | 62.8 Ų | 62.8 | 13% | 0.125 | 33% | 0.332 | C | S | . | . | H | α-helix | trans | -63 | -24 | 172.3 | -68.3 | 177.7 | 179.3 | 163.2 | 0.7 | 113.6 | R456 H458 H462 G464 E465 Y468 A478 | R456-R460 PolarHBondContact O-N 3.47Å; H458-R460 PolarHBondContact O-N 3.38Å; H458-R460 VanDerWaalsContact O-N 3.15Å; R460-H462 VanDerWaalsContact C-N 3.26Å; R460-G464 WeakPolarHBondContact O-CA 3.41Å; R460-G464 PolarHBondContact O-N 3.19Å; R460-E465 HydrophobicContact CG-CB 4.22Å; R460-Y468 VanDerWaalsContact NH1-CE2 3.31Å; R460-A478 HydrophobicContact CB-CB 4.45Å; R460-A478 WeakPolarHBondContact CD-O 3.36Å; R460-A478 PolarHBondContact NH1-O 3.27Å |
| 461 | S | 92.1 | Very high | 92.1 | Very high | 85 Ų | 85 | 69 Ų | 69 | 59% | 0.594 | 36% | 0.356 | S | S | * | . | H | α-helix | trans | -71.1 | -25 | 172.8 | 76.3 | 0 | 0 | 0 | 0 | 112.4 | H458 T459 | H458-S461 WeakPolarHBondContact O-CB 3.42Å; H458-S461 PolarHBondContact O-N 2.76Å; H458-S461 PolarHBondContact O-OG 3.01Å; T459-S461 PolarHBondContact O-N 2.78Å |
| 462 | H | 91.8 | Very high | 92 | Very high | 77 Ų | 77 | 69.1 Ų | 69.1 | 36% | 0.356 | 37% | 0.369 | S | S | . | . | H | α-helix | trans | -84.9 | -44.1 | 175.5 | -68.4 | -70.3 | 0 | 0 | 0 | 112 | Y444 H458 T459 R460 G464 | Y444-H462 HydrophobicContact CD2-CB 3.61Å; Y444-H462 AromaticContact CD2-CD2 3.81Å; Y444-H462 AromaticContact CD2-CG 3.74Å; Y444-H462 HydrophobicContact CE2-CB 4.15Å; Y444-H462 HydrophobicContact CG-CB 3.94Å; Y444-H462 AromaticContact CG-CG 3.86Å; H458-H462 AromaticContact CE1-NE2 3.51Å; H458-H462 AromaticContact NE2-CD2 3.67Å; H458-H462 AromaticContact NE2-NE2 3.19Å; H458-H462 PolarHBondContact NE2-NE2 2.93Å; H458-H462 VanDerWaalsContact NE2-NE2 3.19Å; T459-H462 WeakPolarHBondContact O-CB 3.38Å; T459-H462 PolarHBondContact O-N 3.48Å; R460-H462 VanDerWaalsContact C-N 3.26Å; H462-G464 VanDerWaalsContact C-N 3.31Å; H462-G464 PolarHBondContact O-N 2.88Å |
| 463 | T | 91.4 | Very high | 91.9 | Very high | 67 Ų | 67 | 66.9 Ų | 66.9 | 41% | 0.411 | 35% | 0.353 | S | S | . | . | H | α-helix | trans | -78.3 | -16.2 | -178.5 | 61.7 | 0 | 0 | 0 | 0 | 113.4 | T459 E465 | T459-T463 PolarHBondContact O-N 2.8Å; T459-T463 PolarHBondContact O-OG1 3.38Å; T463-E465 PolarHBondContact O-N 2.76Å; T463-E465 WeakPolarHBondContact OG1-CG 3.35Å; T463-E465 PolarHBondContact OG1-N 3.09Å |
| 464 | G | 90.5 | Very high | 91.9 | Very high | 46 Ų | 46 | 66.8 Ų | 66.8 | 47% | 0.474 | 36% | 0.364 | S | S | . | . | | | trans | 71 | 9.5 | -174.1 | 0 | 0 | 0 | 0 | 0 | 113.7 | R460 H462 R466 | R460-G464 WeakPolarHBondContact O-CA 3.41Å; R460-G464 PolarHBondContact O-N 3.19Å; H462-G464 VanDerWaalsContact C-N 3.31Å; H462-G464 PolarHBondContact O-N 2.88Å; G464-R466 PolarHBondContact O-N 3.08Å |
| 465 | E | 91.9 | Very high | 91.8 | Very high | 111 Ų | 111 | 70.2 Ų | 70.2 | 52% | 0.519 | 37% | 0.374 | S | S | . | . | | | trans | -64.8 | 127.1 | 178.8 | -77.3 | -179.3 | -172.8 | 0 | 0 | 111.6 | R460 T463 | R460-E465 HydrophobicContact CG-CB 4.22Å; T463-E465 PolarHBondContact O-N 2.76Å; T463-E465 WeakPolarHBondContact OG1-CG 3.35Å; T463-E465 PolarHBondContact OG1-N 3.09Å |
| 466 | R | 92.9 | Very high | 91.8 | Very high | 119 Ų | 119 | 74.8 Ų | 74.8 | 45% | 0.449 | 39% | 0.392 | S | S | . | . | | | trans | -127.3 | 81.3 | 176.5 | -67.2 | 179 | 171.4 | 166.9 | 4 | 110.5 | G464 Y468 K476 F477 A478 N507 | G464-R466 PolarHBondContact O-N 3.08Å; R466-Y468 VanDerWaalsContact C-N 3.3Å; R466-Y468 PolarHBondContact O-N 3.39Å; R466-K476 HydrophobicContact CB-CB 3.61Å; R466-K476 WeakPolarHBondContact CD-O 2.92Å; R466-F477 CarbonylContact C-O 3.53Å; R466-F477 VanDerWaalsContact CA-O 3.25Å; R466-F477 WeakPolarHBondContact CA-O 3.48Å; R466-A478 HydrophobicContact CG-CB 4.49Å; R466-N507 PolarHBondContact NH1-OD1 3.2Å |
| 467 | P | 91.7 | Very high | 91.8 | Very high | 68 Ų | 68 | 68.7 Ų | 68.7 | 44% | 0.442 | 37% | 0.37 | S | S | . | . | | | trans | -72.3 | -20 | -171.7 | -19.1 | 33.4 | 0 | 0 | 0 | 114.4 | | |
| 468 | Y | 93.3 | Very high | 91.7 | Very high | 63 Ų | 63 | 67.4 Ų | 67.4 | 25% | 0.247 | 36% | 0.364 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.6 | 104.4 | -171.1 | -56.7 | -76.5 | 0 | 0 | 0 | 110.8 | R460 R466 K476 F477 A478 R479 S480 | R460-Y468 VanDerWaalsContact NH1-CE2 3.31Å; R466-Y468 VanDerWaalsContact C-N 3.3Å; R466-Y468 PolarHBondContact O-N 3.39Å; Y468-K476 CarbonylContact O-C 3.53Å; Y468-K476 WeakPolarHBondContact O-CA 3.42Å; Y468-F477 PolarHBondContact N-O 3.19Å; Y468-F477 VanDerWaalsContact N-O 3.09Å; Y468-F477 PolarHBondContact O-N 2.72Å; Y468-A478 WeakPolarHBondContact CE2-O 3.48Å; Y468-R479 WeakPolarHBondContact CD2-O 3.16Å; Y468-R479 VanDerWaalsContact CE2-C 3.48Å; Y468-S480 VanDerWaalsContact CE2-N 3.33Å |
| 469 | T | 92.5 | Very high | 91.7 | Very high | 63 Ų | 63 | 71.1 Ų | 71.1 | 39% | 0.387 | 38% | 0.377 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.6 | 137.6 | 174.4 | 45 | 0 | 0 | 0 | 0 | 111.3 | R475 K476 R483 | T469-R475 CarbonylContact C-O 3.57Å; T469-R475 WeakPolarHBondContact CA-O 3.45Å; T469-K476 HydrophobicContact CG2-CD 4.28Å; T469-K476 HydrophobicContact CG2-CG 3.73Å; T469-R483 WeakPolarHBondContact O-CD 3.25Å |
| 470 | C | 93.5 | Very high | 91.7 | Very high | 1 Ų | 1 | 71.9 Ų | 71.9 | 1% | 0.007 | 38% | 0.384 | C | S | . | . | | | trans | -77.8 | 123.7 | 163.5 | -171.7 | 0 | 0 | 0 | 0 | 109.1 | S472 C473 G474 R475 F477 H486 H490 | C470-S472 VanDerWaalsContact C-N 3.26Å; C470-S472 PolarHBondContact O-N 3.22Å; C470-C473 VanDerWaalsContact CB-SG 3.59Å; C470-G474 VanDerWaalsContact O-CA 3.27Å; C470-G474 WeakPolarHBondContact O-CA 3.02Å; C470-G474 PolarHBondContact O-N 3.23Å; C470-R475 PolarHBondContact N-O 2.79Å; C470-F477 HydrophobicContact CB-CE2 4.16Å; C470-H486 VanDerWaalsContact SG-CD2 3.52Å; C470-H490 PolarHBondContact SG-CD2 2.82Å; C470-H490 PolarHBondContact SG-NE2 2.81Å |
| 471 | E | 90 | Very high | 91.5 | Very high | 149 Ų | 149 | 74.1 Ų | 74.1 | 70% | 0.696 | 40% | 0.398 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67.8 | -26.3 | 179.7 | -69.3 | 148.3 | 173.6 | 0 | 0 | 112.6 | K487 | E471-K487 IonicContact OE2-NZ 2.72Å; E471-K487 PolarHBondContact OE2-NZ 3.01Å |
| 472 | S | 88.2 | Confident | 91.5 | Very high | 78 Ų | 78 | 72 Ų | 72 | 55% | 0.545 | 38% | 0.379 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -81 | -24.9 | -177.1 | -51.6 | 0 | 0 | 0 | 0 | 114 | C470 H490 | C470-S472 VanDerWaalsContact C-N 3.26Å; C470-S472 PolarHBondContact O-N 3.22Å; S472-H490 VanDerWaalsContact CB-CD2 3.46Å; S472-H490 WeakPolarHBondContact CB-CD2 3.22Å |
| 473 | C | 91 | Very high | 91.6 | Very high | 22 Ų | 22 | 71.3 Ų | 71.3 | 15% | 0.149 | 37% | 0.373 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -139.5 | 0.8 | -175.5 | 70 | 0 | 0 | 0 | 0 | 115.2 | C470 R475 H486 H490 H499 | C470-C473 VanDerWaalsContact CB-SG 3.59Å; C473-R475 PolarHBondContact O-N 2.8Å; C473-R475 VanDerWaalsContact O-N 3.13Å; C473-R475 WeakPolarHBondContact SG-CB 3.44Å; C473-R475 PolarHBondContact SG-N 3.47Å; C473-H486 PolarHBondContact SG-NE2 3.32Å; C473-H490 VanDerWaalsContact CB-CE1 3.49Å; C473-H490 WeakPolarHBondContact CB-CE1 3.39Å; C473-H490 PolarHBondContact SG-NE2 2.88Å; C473-H499 HydrophobicContact CB-CB 4.49Å |
| 474 | G | 90.7 | Very high | 91.6 | Very high | 49 Ų | 49 | 71.6 Ų | 71.6 | 51% | 0.505 | 38% | 0.375 | S | S | . | . | | | trans | 74 | -5.6 | -178.9 | 0 | 0 | 0 | 0 | 0 | 115.7 | C470 K476 | C470-G474 VanDerWaalsContact O-CA 3.27Å; C470-G474 WeakPolarHBondContact O-CA 3.02Å; C470-G474 PolarHBondContact O-N 3.23Å; G474-K476 PolarHBondContact O-N 3.33Å |
| 475 | R | 90.2 | Very high | 91.5 | Very high | 154 Ų | 154 | 77.2 Ų | 77.2 | 58% | 0.581 | 38% | 0.382 | S | S | * | . | | | trans | -62.6 | 131.1 | -177 | -168.8 | 167.6 | 179.6 | 175.6 | 3.4 | 111.8 | T469 C470 C473 F477 | T469-R475 CarbonylContact C-O 3.57Å; T469-R475 WeakPolarHBondContact CA-O 3.45Å; C470-R475 PolarHBondContact N-O 2.79Å; C473-R475 PolarHBondContact O-N 2.8Å; C473-R475 VanDerWaalsContact O-N 3.13Å; C473-R475 WeakPolarHBondContact SG-CB 3.44Å; C473-R475 PolarHBondContact SG-N 3.47Å; R475-F477 HydrophobicContact CB-CE2 3.91Å; R475-F477 HydrophobicContact CB-CZ 4.05Å; R475-F477 HydrophobicContact CG-CE1 4.3Å; R475-F477 HydrophobicContact CG-CE2 3.87Å; R475-F477 HydrophobicContact CG-CZ 3.62Å; R475-F477 WeakPolarHBondContact O-CD2 3.47Å; R475-F477 WeakPolarHBondContact O-CE2 3.49Å |
| 476 | K | 93.8 | Very high | 91.4 | Very high | 126 Ų | 126 | 73.1 Ų | 73.1 | 55% | 0.548 | 36% | 0.363 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -96 | 138.9 | -179 | -58.9 | -171.4 | 179.1 | -179.7 | 0 | 111.7 | R466 Y468 T469 G474 | R466-K476 HydrophobicContact CB-CB 3.61Å; R466-K476 WeakPolarHBondContact CD-O 2.92Å; Y468-K476 CarbonylContact O-C 3.53Å; Y468-K476 WeakPolarHBondContact O-CA 3.42Å; T469-K476 HydrophobicContact CG2-CD 4.28Å; T469-K476 HydrophobicContact CG2-CG 3.73Å; G474-K476 PolarHBondContact O-N 3.33Å |
| 477 | F | 91.8 | Very high | 91.2 | Very high | 24 Ų | 24 | 70.6 Ų | 70.6 | 11% | 0.105 | 36% | 0.355 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.8 | 151.2 | -179.2 | -60 | -84.9 | 0 | 0 | 0 | 111.6 | R466 Y468 C470 R475 E482 R483 H486 | R466-F477 CarbonylContact C-O 3.53Å; R466-F477 VanDerWaalsContact CA-O 3.25Å; R466-F477 WeakPolarHBondContact CA-O 3.48Å; Y468-F477 PolarHBondContact N-O 3.19Å; Y468-F477 VanDerWaalsContact N-O 3.09Å; Y468-F477 PolarHBondContact O-N 2.72Å; C470-F477 HydrophobicContact CB-CE2 4.16Å; R475-F477 HydrophobicContact CB-CE2 3.91Å; R475-F477 HydrophobicContact CB-CZ 4.05Å; R475-F477 HydrophobicContact CG-CE1 4.3Å; R475-F477 HydrophobicContact CG-CE2 3.87Å; R475-F477 HydrophobicContact CG-CZ 3.62Å; R475-F477 WeakPolarHBondContact O-CD2 3.47Å; R475-F477 WeakPolarHBondContact O-CE2 3.49Å; F477-E482 HydrophobicContact CB-CB 4Å; F477-E482 HydrophobicContact CD1-CB 3.81Å; F477-E482 HydrophobicContact CG-CB 4.15Å; F477-R483 HydrophobicContact CB-CB 4.2Å; F477-R483 HydrophobicContact CD2-CB 3.69Å; F477-R483 HydrophobicContact CD2-CG 4.01Å; F477-R483 HydrophobicContact CE2-CB 4.42Å; F477-R483 HydrophobicContact CE2-CG 4.47Å; F477-R483 HydrophobicContact CG-CB 4.11Å; F477-H486 HydrophobicContact CE1-CB 3.97Å; F477-H486 HydrophobicContact CE2-CB 3.94Å; F477-H486 AromaticContact CE2-CD2 3.45Å; F477-H486 VanDerWaalsContact CE2-CD2 3.45Å; F477-H486 WeakPolarHBondContact CE2-CD2 3.39Å; F477-H486 AromaticContact CE2-CG 3.76Å; F477-H486 HydrophobicContact CZ-CB 3.42Å; F477-H486 VanDerWaalsContact CZ-CB 3.42Å; F477-H486 AromaticContact CZ-CD2 3.39Å; F477-H486 WeakPolarHBondContact CZ-CD2 3.46Å; F477-H486 AromaticContact CZ-CG 3.23Å; F477-H486 AromaticContact CZ-ND1 3.8Å; F477-H486 AromaticContact CZ-NE2 3.96Å |
| 478 | A | 91.3 | Very high | 91 | Very high | 20 Ų | 20 | 74.5 Ų | 74.5 | 17% | 0.165 | 37% | 0.365 | C | S | . | . | S | Bend | trans | -81.6 | -26.2 | -179.4 | 0 | 0 | 0 | 0 | 0 | 112.1 | R460 R466 Y468 E482 | R460-A478 HydrophobicContact CB-CB 4.45Å; R460-A478 WeakPolarHBondContact CD-O 3.36Å; R460-A478 PolarHBondContact NH1-O 3.27Å; R466-A478 HydrophobicContact CG-CB 4.49Å; Y468-A478 WeakPolarHBondContact CE2-O 3.48Å; A478-E482 PolarHBondContact N-OE2 3.45Å |
| 479 | R | 90.9 | Very high | 90.7 | Very high | 102 Ų | 102 | 74.2 Ų | 74.2 | 39% | 0.385 | 37% | 0.369 | S | S | . | . | S | Bend | trans | -125.7 | 154.8 | 176.8 | -52.2 | 179.7 | -80.8 | 169.9 | -4.6 | 112.8 | T457 Y468 D481 E482 R483 | T457-R479 HydrophobicContact CG2-CG 4.03Å; Y468-R479 WeakPolarHBondContact CD2-O 3.16Å; Y468-R479 VanDerWaalsContact CE2-C 3.48Å; R479-D481 WeakPolarHBondContact CB-OD1 3.35Å; R479-D481 IonicContact CZ-OD2 3.41Å; R479-D481 IonicContact NH1-OD2 3.5Å; R479-E482 HydrophobicContact CB-CG 4.12Å; R479-E482 IonicContact CZ-OE1 3.79Å; R479-E482 PolarHBondContact N-OE2 3.28Å; R479-E482 VanDerWaalsContact N-OE2 3.08Å; R479-E482 IonicContact NE-OE1 2.78Å; R479-E482 PolarHBondContact NE-OE1 3.05Å; R479-E482 IonicContact NH2-OE1 3.64Å; R479-E482 PolarHBondContact NH2-OE1 3.4Å; R479-R483 PolarHBondContact O-N 3.38Å |
| 480 | S | 92.1 | Very high | 90.3 | Very high | 52 Ų | 52 | 71.8 Ų | 71.8 | 36% | 0.364 | 35% | 0.354 | S | S | . | . | H | α-helix | trans | -71.4 | -35.3 | -176.7 | 53.2 | 0 | 0 | 0 | 0 | 112.6 | Y468 R483 T484 | Y468-S480 VanDerWaalsContact CE2-N 3.33Å; S480-R483 PolarHBondContact O-N 3.4Å; S480-T484 PolarHBondContact O-N 3.03Å; S480-T484 PolarHBondContact O-OG1 3.27Å |
| 481 | D | 90.6 | Very high | 89.4 | Confident | 81 Ų | 81 | 79.1 Ų | 79.1 | 43% | 0.433 | 39% | 0.393 | S | S | . | . | H | α-helix | trans | -62.4 | -41 | 175.1 | 55.3 | -54 | 0 | 0 | 0 | 111.7 | R479 R483 T484 R485 | R479-D481 WeakPolarHBondContact CB-OD1 3.35Å; R479-D481 IonicContact CZ-OD2 3.41Å; R479-D481 IonicContact NH1-OD2 3.5Å; D481-R483 PolarHBondContact O-N 3.13Å; D481-T484 PolarHBondContact O-N 3.07Å; D481-R485 WeakPolarHBondContact O-CB 3.45Å; D481-R485 PolarHBondContact O-N 3.39Å |
| 482 | E | 91.3 | Very high | 88.2 | Confident | 39 Ų | 39 | 76.2 Ų | 76.2 | 18% | 0.182 | 39% | 0.388 | C | S | . | . | H | α-helix | trans | -59.2 | -46.6 | 173.8 | -66.6 | 168.8 | 173.7 | 0 | 0 | 111.4 | F477 A478 R479 H486 | F477-E482 HydrophobicContact CB-CB 4Å; F477-E482 HydrophobicContact CD1-CB 3.81Å; F477-E482 HydrophobicContact CG-CB 4.15Å; A478-E482 PolarHBondContact N-OE2 3.45Å; R479-E482 HydrophobicContact CB-CG 4.12Å; R479-E482 IonicContact CZ-OE1 3.79Å; R479-E482 PolarHBondContact N-OE2 3.28Å; R479-E482 VanDerWaalsContact N-OE2 3.08Å; R479-E482 IonicContact NE-OE1 2.78Å; R479-E482 PolarHBondContact NE-OE1 3.05Å; R479-E482 IonicContact NH2-OE1 3.64Å; R479-E482 PolarHBondContact NH2-OE1 3.4Å; E482-H486 VanDerWaalsContact O-CB 3.3Å; E482-H486 WeakPolarHBondContact O-CB 3.5Å; E482-H486 PolarHBondContact O-N 3.27Å |
| 483 | R | 93.9 | Very high | 86.8 | Confident | 64 Ų | 64 | 75.3 Ų | 75.3 | 24% | 0.242 | 39% | 0.391 | C | S | . | . | H | α-helix | trans | -61.7 | -46.4 | 174.3 | -177.3 | -161.7 | 60.4 | 172.4 | 3.3 | 111.2 | T469 F477 R479 S480 D481 H486 K487 | T469-R483 WeakPolarHBondContact O-CD 3.25Å; F477-R483 HydrophobicContact CB-CB 4.2Å; F477-R483 HydrophobicContact CD2-CB 3.69Å; F477-R483 HydrophobicContact CD2-CG 4.01Å; F477-R483 HydrophobicContact CE2-CB 4.42Å; F477-R483 HydrophobicContact CE2-CG 4.47Å; F477-R483 HydrophobicContact CG-CB 4.11Å; R479-R483 PolarHBondContact O-N 3.38Å; S480-R483 PolarHBondContact O-N 3.4Å; D481-R483 PolarHBondContact O-N 3.13Å; R483-H486 CarbonylContact O-C 3.2Å; R483-H486 WeakPolarHBondContact O-CB 3.27Å; R483-H486 PolarHBondContact O-N 3.5Å; R483-K487 WeakPolarHBondContact O-CG 3.39Å; R483-K487 PolarHBondContact O-N 2.83Å |
| 484 | T | 91 | Very high | 85.3 | Confident | 73 Ų | 73 | 80.6 Ų | 80.6 | 45% | 0.448 | 42% | 0.417 | S | S | . | . | H | α-helix | trans | -63.6 | -42.3 | -178.9 | -61.2 | 0 | 0 | 0 | 0 | 111.6 | S480 D481 H486 K487 K488 | S480-T484 PolarHBondContact O-N 3.03Å; S480-T484 PolarHBondContact O-OG1 3.27Å; D481-T484 PolarHBondContact O-N 3.07Å; T484-H486 VanDerWaalsContact C-N 3.31Å; T484-H486 PolarHBondContact O-N 3.14Å; T484-K487 PolarHBondContact O-N 2.94Å; T484-K488 PolarHBondContact O-N 3.49Å |
| 485 | R | 89.3 | Confident | 83.6 | Confident | 163 Ų | 163 | 81 Ų | 81 | 62% | 0.615 | 41% | 0.407 | S | S | * | . | H | α-helix | trans | -61.7 | -42.8 | 173.9 | -175.4 | 172.5 | 65.8 | 176.6 | 2 | 110.9 | D481 K488 | D481-R485 WeakPolarHBondContact O-CB 3.45Å; D481-R485 PolarHBondContact O-N 3.39Å; R485-K488 WeakPolarHBondContact O-CB 3.45Å; R485-K488 PolarHBondContact O-N 3.41Å |
| 486 | H | 90.5 | Very high | 81.9 | Confident | 26 Ų | 26 | 81.9 Ų | 81.9 | 12% | 0.12 | 42% | 0.415 | C | S | . | . | H | α-helix | trans | -65.1 | -37.7 | 175.5 | 172.2 | 73.7 | 0 | 0 | 0 | 113.2 | C470 C473 F477 E482 R483 T484 K488 V489 H490 | C470-H486 VanDerWaalsContact SG-CD2 3.52Å; C473-H486 PolarHBondContact SG-NE2 3.32Å; F477-H486 HydrophobicContact CE1-CB 3.97Å; F477-H486 HydrophobicContact CE2-CB 3.94Å; F477-H486 AromaticContact CE2-CD2 3.45Å; F477-H486 VanDerWaalsContact CE2-CD2 3.45Å; F477-H486 WeakPolarHBondContact CE2-CD2 3.39Å; F477-H486 AromaticContact CE2-CG 3.76Å; F477-H486 HydrophobicContact CZ-CB 3.42Å; F477-H486 VanDerWaalsContact CZ-CB 3.42Å; F477-H486 AromaticContact CZ-CD2 3.39Å; F477-H486 WeakPolarHBondContact CZ-CD2 3.46Å; F477-H486 AromaticContact CZ-CG 3.23Å; F477-H486 AromaticContact CZ-ND1 3.8Å; F477-H486 AromaticContact CZ-NE2 3.96Å; E482-H486 VanDerWaalsContact O-CB 3.3Å; E482-H486 WeakPolarHBondContact O-CB 3.5Å; E482-H486 PolarHBondContact O-N 3.27Å; R483-H486 CarbonylContact O-C 3.2Å; R483-H486 WeakPolarHBondContact O-CB 3.27Å; R483-H486 PolarHBondContact O-N 3.5Å; T484-H486 VanDerWaalsContact C-N 3.31Å; T484-H486 PolarHBondContact O-N 3.14Å; H486-K488 PolarHBondContact O-N 3.25Å; H486-K488 VanDerWaalsContact O-N 3.14Å; H486-V489 WeakPolarHBondContact O-CB 3.3Å; H486-V489 WeakPolarHBondContact O-CG2 3.21Å; H486-V489 PolarHBondContact O-N 3.17Å; H486-H490 AromaticContact CD2-NE2 3.77Å; H486-H490 AromaticContact CE1-NE2 3.67Å; H486-H490 AromaticContact NE2-CD2 3.96Å; H486-H490 AromaticContact NE2-CE1 3.9Å; H486-H490 AromaticContact NE2-NE2 3.07Å; H486-H490 PolarHBondContact NE2-NE2 3.3Å |
| 487 | K | 87.9 | Confident | 79.7 | Confident | 66 Ų | 66 | 84.1 Ų | 84.1 | 29% | 0.287 | 43% | 0.428 | S | S | . | . | H | α-helix | trans | -55.8 | -31.5 | 175.2 | -79.3 | -170 | 170.3 | -158.5 | 0 | 112.4 | E471 R483 T484 V489 H490 N491 | E471-K487 IonicContact OE2-NZ 2.72Å; E471-K487 PolarHBondContact OE2-NZ 3.01Å; R483-K487 WeakPolarHBondContact O-CG 3.39Å; R483-K487 PolarHBondContact O-N 2.83Å; T484-K487 PolarHBondContact O-N 2.94Å; K487-V489 PolarHBondContact O-N 2.89Å; K487-H490 WeakPolarHBondContact O-CB 3.5Å; K487-H490 PolarHBondContact O-N 3.23Å; K487-N491 PolarHBondContact O-N 3.27Å |
| 488 | K | 87.8 | Confident | 77.9 | Confident | 149 Ų | 149 | 88.9 Ų | 88.9 | 65% | 0.648 | 45% | 0.453 | S | S | * | . | H | α-helix | trans | -63.7 | -27.2 | 175.1 | -61 | -174.8 | 177.4 | -174 | 0 | 113.1 | T484 R485 H486 H490 N491 C492 | T484-K488 PolarHBondContact O-N 3.49Å; R485-K488 WeakPolarHBondContact O-CB 3.45Å; R485-K488 PolarHBondContact O-N 3.41Å; H486-K488 PolarHBondContact O-N 3.25Å; H486-K488 VanDerWaalsContact O-N 3.14Å; K488-H490 VanDerWaalsContact C-N 3.31Å; K488-H490 PolarHBondContact O-N 3.13Å; K488-N491 PolarHBondContact O-N 3.42Å; K488-C492 PolarHBondContact O-N 3.32Å |
| 489 | V | 87.3 | Confident | 76 | Confident | 57 Ų | 57 | 93.9 Ų | 93.9 | 35% | 0.345 | 47% | 0.473 | S | S | . | . | H | α-helix | trans | -65.2 | -37.7 | 175.7 | -174.9 | 0 | 0 | 0 | 0 | 110.7 | H486 K487 N491 C492 I495 | H486-V489 WeakPolarHBondContact O-CB 3.3Å; H486-V489 WeakPolarHBondContact O-CG2 3.21Å; H486-V489 PolarHBondContact O-N 3.17Å; K487-V489 PolarHBondContact O-N 2.89Å; V489-N491 VanDerWaalsContact C-N 3.34Å; V489-C492 PolarHBondContact O-N 2.66Å; V489-I495 HydrophobicContact CG1-CD1 3.69Å; V489-I495 HydrophobicContact CG1-CG1 4.23Å |
| 490 | H | 83.5 | Confident | 73.6 | Confident | 13 Ų | 13 | 95 Ų | 95 | 6% | 0.06 | 50% | 0.496 | C | S | . | . | H | α-helix | trans | -68.9 | -33.9 | 173.8 | -61.8 | -57.2 | 0 | 0 | 0 | 112.6 | C470 S472 C473 H486 K487 K488 C492 G493 I495 | C470-H490 PolarHBondContact SG-CD2 2.82Å; C470-H490 PolarHBondContact SG-NE2 2.81Å; S472-H490 VanDerWaalsContact CB-CD2 3.46Å; S472-H490 WeakPolarHBondContact CB-CD2 3.22Å; C473-H490 VanDerWaalsContact CB-CE1 3.49Å; C473-H490 WeakPolarHBondContact CB-CE1 3.39Å; C473-H490 PolarHBondContact SG-NE2 2.88Å; H486-H490 AromaticContact CD2-NE2 3.77Å; H486-H490 AromaticContact CE1-NE2 3.67Å; H486-H490 AromaticContact NE2-CD2 3.96Å; H486-H490 AromaticContact NE2-CE1 3.9Å; H486-H490 AromaticContact NE2-NE2 3.07Å; H486-H490 PolarHBondContact NE2-NE2 3.3Å; K487-H490 WeakPolarHBondContact O-CB 3.5Å; K487-H490 PolarHBondContact O-N 3.23Å; K488-H490 VanDerWaalsContact C-N 3.31Å; K488-H490 PolarHBondContact O-N 3.13Å; H490-C492 PolarHBondContact O-N 2.68Å; H490-G493 PolarHBondContact O-N 3.34Å; H490-I495 PolarHBondContact ND1-O 3.32Å |
| 491 | N | 74.2 | Confident | 70.7 | Confident | 155 Ų | 155 | 95.8 Ų | 95.8 | 83% | 0.829 | 51% | 0.512 | S | S | * | . | H | α-helix | trans | -72.6 | -19.1 | 177.6 | -147.1 | 48 | 0 | 0 | 0 | 112.8 | K487 K488 V489 G493 | K487-N491 PolarHBondContact O-N 3.27Å; K488-N491 PolarHBondContact O-N 3.42Å; V489-N491 VanDerWaalsContact C-N 3.34Å; N491-G493 PolarHBondContact O-N 3.42Å |
| 492 | C | 64.9 | Low | 68 | Low | 87 Ų | 87 | 99.6 Ų | 99.6 | 59% | 0.588 | 53% | 0.527 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -80.3 | 7.4 | 174.7 | -160.8 | 0 | 0 | 0 | 0 | 113.4 | K488 V489 H490 L494 | K488-C492 PolarHBondContact O-N 3.32Å; V489-C492 PolarHBondContact O-N 2.66Å; H490-C492 PolarHBondContact O-N 2.68Å; C492-L494 PolarHBondContact O-N 3.34Å |
| 493 | G | 58.5 | Low | 65 | Low | 59 Ų | 59 | 103.2 Ų | 103.2 | 61% | 0.608 | 56% | 0.557 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 71.9 | -8.6 | 176.5 | 0 | 0 | 0 | 0 | 0 | 116 | H490 N491 | H490-G493 PolarHBondContact O-N 3.34Å; N491-G493 PolarHBondContact O-N 3.42Å |
| 494 | L | 59.2 | Low | 62.1 | Low | 134 Ų | 134 | 105.5 Ų | 105.5 | 70% | 0.702 | 58% | 0.583 | S | S | * | * | S | Bend | trans | -79.5 | -18.2 | -169.8 | -80.5 | 160.5 | 0 | 0 | 0 | 115.2 | C492 | C492-L494 PolarHBondContact O-N 3.34Š|
| 495 | I | 55 | Low | 59.4 | Low | 57 Ų | 57 | 109.4 Ų | 109.4 | 29% | 0.292 | 59% | 0.594 | S | S | . | * | | | trans | -147 | 88.9 | -174.3 | -46.4 | 178.7 | 0 | 0 | 0 | 110.2 | V489 H490 | V489-I495 HydrophobicContact CG1-CD1 3.69Å; V489-I495 HydrophobicContact CG1-CG1 4.23Å; H490-I495 PolarHBondContact ND1-O 3.32Å |
| 496 | K | 54.8 | Low | 56.8 | Low | 173 Ų | 173 | 105.4 Ų | 105.4 | 75% | 0.752 | 59% | 0.59 | S | S | * | * | S | Bend | trans | -111.4 | -10.5 | 165.7 | -74.7 | -175.6 | 179.3 | 176.8 | 0 | 113.6 | | |
| 497 | E | 48.9 | Very low | 54.2 | Low | 173 Ų | 173 | 109.6 Ų | 109.6 | 81% | 0.808 | 61% | 0.614 | S | S | * | * | S | Bend | trans | -123.5 | 5 | -162 | -60.4 | -152.6 | 154.3 | 0 | 0 | 117.9 | | |
| 498 | I | 54 | Low | 51.5 | Low | 124 Ų | 124 | 114.3 Ų | 114.3 | 64% | 0.636 | 63% | 0.634 | S | S | * | * | S | Bend | trans | -99 | -9.7 | -167.7 | -54.3 | 178.5 | 0 | 0 | 0 | 115 | | |
| 499 | H | 50.1 | Low | 48.8 | Very low | 125 Ų | 125 | 113.9 Ų | 113.9 | 58% | 0.579 | 64% | 0.644 | S | S | * | * | S | Bend | trans | -133.3 | 16.4 | -167.2 | -63.4 | -55.8 | 0 | 0 | 0 | 117.1 | C473 G501 | C473-H499 HydrophobicContact CB-CB 4.49Å; H499-G501 PolarHBondContact O-N 2.8Å |
| 500 | S | 40.8 | Very low | 46.1 | Very low | 125 Ų | 125 | 114.4 Ų | 114.4 | 87% | 0.874 | 66% | 0.655 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -78.8 | 1.7 | 177.9 | 49.3 | 0 | 0 | 0 | 0 | 114.8 | | |
| 501 | G | 32 | Very low | 43.6 | Very low | 68 Ų | 68 | 122.9 Ų | 122.9 | 70% | 0.701 | 69% | 0.694 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -140 | 40.9 | -168.8 | 0 | 0 | 0 | 0 | 0 | 115.9 | H499 | H499-G501 PolarHBondContact O-N 2.8Š|
| 502 | E | 33.1 | Very low | 41.6 | Very low | 161 Ų | 161 | 122.5 Ų | 122.5 | 75% | 0.752 | 69% | 0.691 | S | S | * | * | | | trans | -153.4 | 78.1 | 165.5 | -106.2 | 167.7 | -139.7 | 0 | 0 | 110.2 | S504 | E502-S504 PolarHBondContact O-N 3.49Š|
| 503 | S | 29.5 | Very low | 39.6 | Very low | 116 Ų | 116 | 123.3 Ų | 123.3 | 81% | 0.811 | 70% | 0.695 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -55 | 128 | 153.7 | 51.2 | 0 | 0 | 0 | 0 | 108.2 | | |
| 504 | S | 31.3 | Very low | 38.1 | Very low | 111 Ų | 111 | 125.1 Ų | 125.1 | 78% | 0.776 | 70% | 0.697 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 87.2 | 49.4 | 178.7 | 87.5 | 0 | 0 | 0 | 0 | 118.7 | E502 S506 | E502-S504 PolarHBondContact O-N 3.49Å; S504-S506 PolarHBondContact O-N 3.33Å |
| 505 | F | 35.4 | Very low | 36.7 | Very low | 156 Ų | 156 | 124.4 Ų | 124.4 | 68% | 0.684 | 70% | 0.701 | S | S | * | * | | | trans | -87.3 | 74.1 | 141.8 | -141.1 | -91.1 | 0 | 0 | 0 | 109.2 | N507 | F505-N507 PolarHBondContact O-N 3.07Š|
| 506 | S | 33.5 | Very low | 35.6 | Very low | 78 Ų | 78 | 129.4 Ų | 129.4 | 55% | 0.545 | 72% | 0.723 | S | S | . | * | | | trans | -55 | 128.9 | 157 | 47.3 | 0 | 0 | 0 | 0 | 107.7 | S504 K508 | S504-S506 PolarHBondContact O-N 3.33Å; S506-K508 PolarHBondContact O-N 3.35Å |
| 507 | N | 36.4 | Very low | 34.3 | Very low | 115 Ų | 115 | 128.7 Ų | 128.7 | 62% | 0.615 | 72% | 0.722 | S | S | * | * | S | Bend | trans | -59.2 | 78.3 | 170.4 | -72.7 | -56.7 | 0 | 0 | 0 | 110.4 | R466 F505 | R466-N507 PolarHBondContact NH1-OD1 3.2Å; F505-N507 PolarHBondContact O-N 3.07Å |
| 508 | K | 30.4 | Very low | 33.4 | Very low | 165 Ų | 165 | 129.3 Ų | 129.3 | 72% | 0.717 | 73% | 0.725 | S | S | * | * | | | trans | -131.8 | 129.9 | 164.5 | -73.4 | -174.7 | 176.8 | -179.2 | 0 | 105.5 | S506 | S506-K508 PolarHBondContact O-N 3.35Š|
| 509 | T | 31.3 | Very low | 32.2 | Very low | 139 Ų | 139 | 129.8 Ų | 129.8 | 85% | 0.853 | 73% | 0.728 | S | S | * | * | S | Bend | trans | 86.2 | 108.9 | -162.1 | -33.7 | 0 | 0 | 0 | 0 | 111.3 | | |
| 510 | A | 31.3 | Very low | 31.2 | Very low | 68 Ų | 68 | 131.6 Ų | 131.6 | 56% | 0.562 | 74% | 0.741 | S | S | * | * | | | cis | -136.6 | 146.8 | 7.6 | 0 | 0 | 0 | 0 | 0 | 106.6 | I512 | A510-I512 PolarHBondContact O-N 3.33Š|
| 511 | Q | 31.3 | Very low | 30.5 | Very low | 192 Ų | 192 | 130.8 Ų | 130.8 | 90% | 0.897 | 73% | 0.731 | S | S | * | * | | | | 11 | 60.6 | 91 | -76.9 | 173.1 | -18.3 | 0 | 0 | 112.5 | P513 | Q511-P513 WeakPolarHBondContact O-CD 3.49Š|
| 512 | I | 31.2 | Very low | 30.5 | Very low | 146 Ų | 146 | 136 Ų | 136 | 75% | 0.749 | 73% | 0.731 | S | S | * | * | | | trans | -72.8 | 106.2 | 140.9 | -60.7 | 173.4 | 0 | 0 | 0 | 101.5 | A510 C514 | A510-I512 PolarHBondContact O-N 3.33Å; I512-C514 PolarHBondContact O-N 3.43Å; I512-C514 VanDerWaalsContact O-N 3.13Å |
| 513 | P | 24.7 | Very low | 30.2 | Very low | 104 Ų | 104 | 132.1 Ų | 132.1 | 68% | 0.675 | 72% | 0.722 | S | S | * | * | | | trans | -52.4 | 128.8 | 164 | -13.8 | 29.2 | 0 | 0 | 0 | 104.7 | Q511 | Q511-P513 WeakPolarHBondContact O-CD 3.49Š|
| 514 | C | 26.8 | Very low | 30.2 | Very low | 97 Ų | 97 | 135.3 Ų | 135.3 | 66% | 0.655 | 72% | 0.723 | S | S | * | * | | | trans | -40.4 | 136.6 | 155.2 | -170.7 | 0 | 0 | 0 | 0 | 106.6 | I512 Q516 | I512-C514 PolarHBondContact O-N 3.43Å; I512-C514 VanDerWaalsContact O-N 3.13Å; C514-Q516 PolarHBondContact O-N 3.24Å |
| 515 | P | 29.6 | Very low | 30.1 | Very low | 120 Ų | 120 | 138 Ų | 138 | 78% | 0.779 | 72% | 0.724 | S | S | * | * | | | trans | -56.7 | 96.1 | 161.2 | -11.4 | 25 | 0 | 0 | 0 | 105 | | |
| 516 | Q | 32.2 | Very low | 30 | Very low | 161 Ų | 161 | 137 Ų | 137 | 75% | 0.752 | 72% | 0.722 | S | S | * | * | | | trans | -77.3 | 122.3 | 170 | -149.7 | 167.5 | -33.1 | 0 | 0 | 103.1 | C514 | C514-Q516 PolarHBondContact O-N 3.24Š|
| 517 | E | 27.2 | Very low | 30.2 | Very low | 158 Ų | 158 | 139.7 Ų | 139.7 | 74% | 0.738 | 73% | 0.729 | S | S | * | * | | | trans | 77.7 | 111.6 | 170.1 | -56 | 164.7 | -166.9 | 0 | 0 | 113.5 | | |
| 518 | Q | 29.5 | Very low | 29.9 | Very low | 187 Ų | 187 | 143.5 Ų | 143.5 | 87% | 0.874 | 75% | 0.748 | S | S | * | * | | | | -124.4 | 130.4 | 52.5 | -59 | -165.3 | -59.2 | 0 | 0 | 113.5 | D520 | Q518-D520 PolarHBondContact O-N 3.21Š|
| 519 | I | 28.1 | Very low | 29.9 | Very low | 134 Ų | 134 | 139.8 Ų | 139.8 | 69% | 0.687 | 74% | 0.743 | S | S | * | * | | | trans | -2 | 94.3 | 137.1 | -51.9 | 167.6 | 0 | 0 | 0 | 113.1 | T521 | I519-T521 WeakPolarHBondContact CG2-OG1 3.42Š|
| 520 | D | 29.7 | Very low | 30.5 | Very low | 163 Ų | 163 | 139 Ų | 139 | 87% | 0.872 | 74% | 0.738 | S | S | * | * | | | trans | -115.2 | 62.8 | 137.1 | -81.2 | -29.6 | 0 | 0 | 0 | 106.4 | Q518 Y522 | Q518-D520 PolarHBondContact O-N 3.21Å; D520-Y522 PolarHBondContact O-N 3.4Å |
| 521 | T | 26.3 | Very low | 30.5 | Very low | 108 Ų | 108 | 140.8 Ų | 140.8 | 66% | 0.663 | 75% | 0.746 | S | S | * | * | | | trans | -65.3 | 85.8 | 145.7 | 51.4 | 0 | 0 | 0 | 0 | 106.7 | I519 | I519-T521 WeakPolarHBondContact CG2-OG1 3.42Š|
| 522 | Y | 31.5 | Very low | 30.8 | Very low | 176 Ų | 176 | 136.6 Ų | 136.6 | 69% | 0.69 | 73% | 0.734 | S | S | * | * | | | trans | -123.5 | 87.8 | 144.5 | -127.4 | -95 | 0 | 0 | 0 | 107 | D520 H524 | D520-Y522 PolarHBondContact O-N 3.4Å; Y522-H524 VanDerWaalsContact C-N 3.33Å; Y522-H524 PolarHBondContact O-N 3.5Å |
| 523 | S | 26.5 | Very low | 31.3 | Very low | 80 Ų | 80 | 136.6 Ų | 136.6 | 56% | 0.559 | 73% | 0.734 | S | S | * | * | | | trans | -34.5 | 108.2 | 136.1 | 42.5 | 0 | 0 | 0 | 0 | 107.8 | E525 | S523-E525 PolarHBondContact O-N 3.33Š|
| 524 | H | 29.8 | Very low | 31.4 | Very low | 183 Ų | 183 | 138.7 Ų | 138.7 | 85% | 0.847 | 73% | 0.734 | S | S | * | * | S | Bend | trans | -71.8 | 66.5 | 170.5 | -169.6 | -73.4 | 0 | 0 | 0 | 107.9 | Y522 | Y522-H524 VanDerWaalsContact C-N 3.33Å; Y522-H524 PolarHBondContact O-N 3.5Å |
| 525 | E | 29.1 | Very low | 31.9 | Very low | 168 Ų | 168 | 139 Ų | 139 | 79% | 0.785 | 73% | 0.733 | S | S | * | * | | | trans | 174.8 | 94 | 178 | -104.2 | 170.8 | -168.6 | 0 | 0 | 105.4 | S523 | S523-E525 PolarHBondContact O-N 3.33Š|
| 526 | Q | 33.6 | Very low | 31.9 | Very low | 136 Ų | 136 | 137.3 Ų | 137.3 | 64% | 0.636 | 72% | 0.724 | S | S | * | * | S | Bend | trans | -174.3 | 99.7 | 146.7 | -84.8 | -97.7 | -17.4 | 0 | 0 | 106.9 | | |
| 527 | L | 37.4 | Very low | 31.7 | Very low | 134 Ų | 134 | 136 Ų | 136 | 70% | 0.702 | 72% | 0.721 | S | S | * | * | | | trans | 73.7 | 75.4 | 145.4 | -49.8 | 177.1 | 0 | 0 | 0 | 118.4 | S529 | L527-S529 PolarHBondContact O-N 3.49Å; L527-S529 VanDerWaalsContact O-N 3.08Å |
| 528 | L | 29.9 | Very low | 31.8 | Very low | 194 Ų | 194 | 136.8 Ų | 136.8 | 100% | 1.016 | 73% | 0.725 | S | S | * | * | | | trans | -62.7 | 87.7 | 134.3 | -82.8 | 135.5 | 0 | 0 | 0 | 108.5 | | |
| 529 | S | 31.6 | Very low | 31.7 | Very low | 88 Ų | 88 | 132.7 Ų | 132.7 | 62% | 0.615 | 72% | 0.717 | S | S | * | * | | | trans | -166.7 | 100.3 | 167.8 | 174.1 | 0 | 0 | 0 | 0 | 104.1 | L527 | L527-S529 PolarHBondContact O-N 3.49Å; L527-S529 VanDerWaalsContact O-N 3.08Å |
| 530 | T | 42.4 | Very low | 31.9 | Very low | 123 Ų | 123 | 130.1 Ų | 130.1 | 76% | 0.755 | 71% | 0.711 | S | S | * | * | | | | -148.9 | 114.8 | 58.1 | 44.9 | 0 | 0 | 0 | 0 | 109.8 | | |
| 531 | S | 32.4 | Very low | 31.7 | Very low | 104 Ų | 104 | 129.4 Ų | 129.4 | 73% | 0.727 | 70% | 0.697 | S | S | * | * | | | trans | -61.8 | 167.7 | 145.3 | 52.1 | 0 | 0 | 0 | 0 | 109.2 | | |
| 532 | V | 36.4 | Very low | 32 | Very low | 105 Ų | 105 | 131.6 Ų | 131.6 | 64% | 0.636 | 70% | 0.703 | S | S | * | * | | | trans | 78.6 | 108.5 | 176.2 | -156.5 | 0 | 0 | 0 | 0 | 110.1 | | |
| 533 | I | 41.7 | Very low | 32 | Very low | 146 Ų | 146 | 128.6 Ų | 128.6 | 75% | 0.749 | 71% | 0.709 | S | S | * | * | | | | -146 | 93.3 | 58.2 | -64 | 156.5 | 0 | 0 | 0 | 105.7 | | |
| 534 | H | 28.1 | Very low | 32.2 | Very low | 147 Ų | 147 | 130.2 Ų | 130.2 | 68% | 0.681 | 72% | 0.72 | S | S | * | * | | | | 13.5 | 97.1 | 94.6 | -163.8 | -85.9 | 0 | 0 | 0 | 112.8 | | |
| 535 | T | 36.6 | Very low | 32.3 | Very low | 104 Ų | 104 | 128 Ų | 128 | 64% | 0.638 | 72% | 0.718 | S | S | * | * | | | | 176.2 | 114 | 123.9 | 37.5 | 0 | 0 | 0 | 0 | 107.7 | | |
| 536 | S | 30.3 | Very low | 32.3 | Very low | 84 Ų | 84 | 125.8 Ų | 125.8 | 59% | 0.587 | 72% | 0.717 | S | S | * | * | | | | 87.8 | 116.3 | 81.1 | -150.4 | 0 | 0 | 0 | 0 | 110 | | |
| 537 | I | 28.3 | Very low | 32.2 | Very low | 134 Ų | 134 | 128.9 Ų | 128.9 | 69% | 0.687 | 73% | 0.728 | S | S | * | * | | | trans | 76.3 | 120.5 | 133.1 | -66.5 | 172.8 | 0 | 0 | 0 | 117.3 | | |
| 538 | Q | 28.7 | Very low | 32.2 | Very low | 175 Ų | 175 | 131.1 Ų | 131.1 | 82% | 0.818 | 74% | 0.735 | S | S | * | * | | | trans | 37.8 | 114.8 | 143.1 | -61.6 | -178.8 | -65.3 | 0 | 0 | 119.2 | | |
| 539 | S | 27.7 | Very low | 32.3 | Very low | 101 Ų | 101 | 126.7 Ų | 126.7 | 71% | 0.706 | 72% | 0.718 | S | S | * | * | | | | 156 | 107.2 | 125.4 | -80.5 | 0 | 0 | 0 | 0 | 106.9 | | |
| 540 | S | 31.8 | Very low | 32.8 | Very low | 79 Ų | 79 | 128 Ų | 128 | 55% | 0.552 | 73% | 0.727 | S | S | * | * | | | | 63.9 | 149.3 | 88.8 | 64.9 | 0 | 0 | 0 | 0 | 113 | | |
| 541 | Y | 26.3 | Very low | 32.4 | Very low | 149 Ų | 149 | 128.2 Ų | 128.2 | 58% | 0.584 | 73% | 0.728 | S | S | * | * | | | trans | 82.4 | 117.6 | 178.6 | -46 | -71.1 | 0 | 0 | 0 | 113.1 | | |
| 542 | L | 32.6 | Very low | 32.5 | Very low | 153 Ų | 153 | 133.2 Ų | 133.2 | 80% | 0.801 | 73% | 0.733 | S | S | * | * | S | Bend | cis | -155.7 | 123.4 | 17.1 | -63.9 | 163.6 | 0 | 0 | 0 | 105.7 | | |
| 543 | S | 31.3 | Very low | 32.6 | Very low | 114 Ų | 114 | 132.9 Ų | 132.9 | 80% | 0.797 | 73% | 0.731 | S | S | * | * | S | Bend | | -175.2 | 95.9 | 89.9 | -59.3 | 0 | 0 | 0 | 0 | 105.5 | | |
| 544 | S | 30.3 | Very low | 32.1 | Very low | 114 Ų | 114 | 132 Ų | 132 | 80% | 0.797 | 74% | 0.735 | S | S | * | * | S | Bend | | -176.2 | 132.6 | 101.1 | -55.3 | 0 | 0 | 0 | 0 | 107.9 | | |
| 545 | V | 32.2 | Very low | 32.4 | Very low | 135 Ų | 135 | 132.6 Ų | 132.6 | 82% | 0.818 | 74% | 0.741 | S | S | * | * | | | trans | 85.7 | 84.4 | 161.3 | -159.2 | 0 | 0 | 0 | 0 | 118.7 | | |
| 546 | T | 27.8 | Very low | 32.3 | Very low | 122 Ų | 122 | 131.8 Ų | 131.8 | 75% | 0.748 | 74% | 0.738 | S | S | * | * | | | trans | 29.1 | 112.5 | 137.8 | 57.4 | 0 | 0 | 0 | 0 | 122.7 | | |
| 547 | F | 33.3 | Very low | 32.2 | Very low | 201 Ų | 201 | 139.4 Ų | 139.4 | 88% | 0.882 | 75% | 0.754 | S | S | * | * | | | | 169.7 | 155.3 | 122.5 | -122.9 | -110.7 | 0 | 0 | 0 | 112.7 | | |
| 548 | Q | 36.5 | Very low | 32.5 | Very low | 181 Ų | 181 | 142.6 Ų | 142.6 | 85% | 0.846 | 77% | 0.766 | S | S | * | * | | | trans | -89.3 | 168.2 | -153.3 | -62 | -149.2 | -55 | 0 | 0 | 119.9 | | |
| 549 | P | 32 | Very low | 32.4 | Very low | 102 Ų | 102 | 140.2 Ų | 140.2 | 66% | 0.662 | 76% | 0.763 | S | S | * | * | | | trans | -111.5 | 154.2 | -175.8 | 39.2 | -27.9 | 0 | 0 | 0 | 116.9 | | |
| 550 | S | 41.3 | Very low | 32.8 | Very low | 114 Ų | 114 | 142.2 Ų | 142.2 | 80% | 0.797 | 77% | 0.772 | S | S | * | * | | | trans | -160.5 | 115.5 | 159 | 74.6 | 0 | 0 | 0 | 0 | 116.8 | | |
| 551 | V | 33.9 | Very low | 32.6 | Very low | 129 Ų | 129 | 143.8 Ų | 143.8 | 78% | 0.782 | 78% | 0.783 | S | S | * | * | | | trans | 26.8 | 128 | 137.4 | -146.5 | 0 | 0 | 0 | 0 | 122.2 | | |
| 552 | Y | 34.9 | Very low | 33 | Very low | 209 Ų | 209 | 144.7 Ų | 144.7 | 82% | 0.82 | 80% | 0.796 | S | S | * | * | | | | 163.8 | 156.2 | 110.9 | -132.6 | -99.8 | 0 | 0 | 0 | 115.4 | | |
| 553 | T | 39.6 | Very low | 33.1 | Very low | 98 Ų | 98 | 145.6 Ų | 145.6 | 60% | 0.601 | 80% | 0.796 | S | S | * | * | | | trans | -62.7 | 163.2 | -157.8 | 56.8 | 0 | 0 | 0 | 0 | 122.6 | | |
| 554 | P | 29.8 | Very low | 33.1 | Very low | 127 Ų | 127 | 145.1 Ų | 145.1 | 83% | 0.825 | 79% | 0.793 | S | S | * | * | | | trans | -97.4 | 152.3 | 174.5 | 37.8 | -30.5 | 0 | 0 | 0 | 115.1 | | |
| 555 | I | 35.8 | Very low | 33.4 | Very low | 160 Ų | 160 | 146.9 Ų | 146.9 | 82% | 0.821 | 79% | 0.793 | S | S | * | * | | | trans | -129 | 141.5 | 175.5 | -59.3 | 174.9 | 0 | 0 | 0 | 110.4 | | |
| 556 | P | 33 | Very low | 33.5 | Very low | 87 Ų | 87 | 145.7 Ų | 145.7 | 57% | 0.565 | 79% | 0.788 | S | S | * | * | | | trans | -103.5 | 150.2 | -176.4 | 10.4 | 12.6 | 0 | 0 | 0 | 115.9 | | |
| 557 | W | 28.2 | Very low | 33.9 | Very low | 243 Ų | 243 | 147 Ų | 147 | 92% | 0.92 | 79% | 0.791 | S | S | * | * | | | trans | 65.4 | 127.4 | 150.6 | -33.7 | -28.9 | 0 | 0 | 0 | 120.1 | | |
| 558 | Q | 34.9 | Very low | 34.1 | Very low | 201 Ų | 201 | 144.2 Ų | 144.2 | 94% | 0.939 | 79% | 0.79 | S | S | * | * | | | trans | -155.6 | 129.3 | 130.2 | -109.6 | 174.4 | 3.7 | 0 | 0 | 112.1 | | |
| 559 | T | 27.5 | Very low | 33.8 | Very low | 125 Ų | 125 | 140.4 Ų | 140.4 | 77% | 0.767 | 78% | 0.783 | S | S | * | * | | | trans | -77.2 | 140.3 | 174.3 | 42.9 | 0 | 0 | 0 | 0 | 111.9 | | |
| 560 | T | 35.6 | Very low | 34 | Very low | 143 Ų | 143 | 146.9 Ų | 146.9 | 88% | 0.877 | 80% | 0.795 | S | S | * | * | | | trans | -147.6 | 114.9 | 146.2 | 48.4 | 0 | 0 | 0 | 0 | 110.8 | | |
| 561 | S | 27 | Very low | 33.4 | Very low | 112 Ų | 112 | 149.7 Ų | 149.7 | 78% | 0.783 | 79% | 0.793 | S | S | * | * | | | trans | -74.3 | 140.3 | 169.6 | -33.5 | 0 | 0 | 0 | 0 | 110.7 | | |
| 562 | I | 35.8 | Very low | 33.6 | Very low | 169 Ų | 169 | 152.3 Ų | 152.3 | 87% | 0.867 | 80% | 0.796 | S | S | * | * | | | trans | -139.6 | 126.6 | 150.7 | -60.8 | -175.4 | 0 | 0 | 0 | 109.7 | | |
| 563 | E | 33.5 | Very low | 33.4 | Very low | 171 Ų | 171 | 148.6 Ų | 148.6 | 80% | 0.799 | 79% | 0.79 | S | S | * | * | | | trans | -54.8 | 136.9 | 179.4 | -72.7 | 168.8 | 148.5 | 0 | 0 | 115 | | |
| 564 | S | 32.8 | Very low | 33.3 | Very low | 105 Ų | 105 | 152.2 Ų | 152.2 | 73% | 0.734 | 80% | 0.804 | S | S | * | * | | | | 84.2 | 120.3 | 95.3 | 87.1 | 0 | 0 | 0 | 0 | 115.5 | | |
| 565 | N | 35.5 | Very low | 33.4 | Very low | 151 Ų | 151 | 150.8 Ų | 150.8 | 81% | 0.807 | 80% | 0.797 | S | S | * | * | | | | 178.5 | 121.6 | 120.1 | -136.4 | -29.8 | 0 | 0 | 0 | 111.8 | | |
| 566 | P | 35.6 | Very low | 33.3 | Very low | 109 Ų | 109 | 151.5 Ų | 151.5 | 71% | 0.708 | 80% | 0.799 | S | S | * | * | | | trans | -120.8 | 129.3 | 161.4 | 34.4 | -20.3 | 0 | 0 | 0 | 111.5 | | |
| 567 | N | 35.5 | Very low | 33.4 | Very low | 151 Ų | 151 | 155.1 Ų | 155.1 | 81% | 0.807 | 81% | 0.808 | S | S | * | * | | | trans | -170.2 | 124 | 155.5 | -109.2 | -41.5 | 0 | 0 | 0 | 110.3 | | |
| 568 | V | 36.6 | Very low | 33.6 | Very low | 142 Ų | 142 | 148.8 Ų | 148.8 | 86% | 0.861 | 80% | 0.797 | S | S | * | * | | | | 172.4 | 110.8 | 121.6 | 169.1 | 0 | 0 | 0 | 0 | 108.2 | | |
| 569 | S | 31.2 | Very low | 33.8 | Very low | 101 Ų | 101 | 146.9 Ų | 146.9 | 71% | 0.706 | 79% | 0.792 | S | S | * | * | | | trans | -97.6 | 149.5 | 166.1 | -45.6 | 0 | 0 | 0 | 0 | 110.2 | | |
| 570 | R | 35.3 | Very low | 34.3 | Very low | 238 Ų | 238 | 146.2 Ų | 146.2 | 90% | 0.898 | 79% | 0.793 | S | S | * | * | | | trans | -178.9 | 109.5 | 147.3 | -103.8 | 171.6 | -167.8 | 172.7 | 4.6 | 108.9 | | |
| 571 | F | 30.2 | Very low | 34.5 | Very low | 173 Ų | 173 | 144.8 Ų | 144.8 | 76% | 0.759 | 79% | 0.786 | S | S | * | * | | | | 63.7 | 116.7 | 89.5 | -88.6 | -79.8 | 0 | 0 | 0 | 115.2 | | |
| 572 | H | 37.7 | Very low | 34.9 | Very low | 183 Ų | 183 | 144.7 Ų | 144.7 | 85% | 0.847 | 79% | 0.785 | S | S | * | * | | | | -178.4 | 134.3 | 112.3 | -101.6 | -74.9 | 0 | 0 | 0 | 113 | | |
| 573 | D | 30.8 | Very low | 35.1 | Very low | 131 Ų | 131 | 142 Ų | 142 | 70% | 0.701 | 78% | 0.779 | S | S | * | * | | | trans | -59.6 | 160.8 | 166.9 | -66.4 | -63.6 | 0 | 0 | 0 | 114 | | |
| 574 | I | 36.4 | Very low | 35 | Very low | 175 Ų | 175 | 139 Ų | 139 | 90% | 0.897 | 78% | 0.777 | S | S | * | * | | | trans | -173.2 | 143.2 | 131.4 | -86.7 | 146.2 | 0 | 0 | 0 | 110.4 | | |
| 575 | S | 31.7 | Very low | 34.9 | Very low | 96 Ų | 96 | 140.6 Ų | 140.6 | 67% | 0.671 | 79% | 0.786 | S | S | * | * | | | trans | -92.7 | 179.1 | -161.1 | -44.3 | 0 | 0 | 0 | 0 | 117.7 | | |
| 576 | M | 34.1 | Very low | 34.8 | Very low | 175 Ų | 175 | 142.2 Ų | 142.2 | 86% | 0.862 | 79% | 0.789 | S | S | * | * | | | trans | 78.4 | 139.2 | 154.5 | -60.7 | -81.9 | 164.7 | 0 | 0 | 115.4 | | |
| 577 | E | 35.4 | Very low | 34.8 | Very low | 163 Ų | 163 | 142.8 Ų | 142.8 | 76% | 0.762 | 79% | 0.792 | S | S | * | * | | | cis | -170.1 | 142.5 | 40.3 | -134.3 | 166.2 | 178.2 | 0 | 0 | 111.3 | | |
| 578 | T | 33.3 | Very low | 34.9 | Very low | 111 Ų | 111 | 141.8 Ų | 141.8 | 68% | 0.681 | 79% | 0.792 | S | S | * | * | | | trans | 35 | 129.1 | 143.3 | 53.1 | 0 | 0 | 0 | 0 | 124 | | |
| 579 | L | 37.8 | Very low | 34.8 | Very low | 160 Ų | 160 | 140.5 Ų | 140.5 | 84% | 0.838 | 79% | 0.787 | S | S | * | * | | | | 171.6 | 106.8 | 113.2 | -88.5 | 158.9 | 0 | 0 | 0 | 113.6 | | |
| 580 | S | 38.3 | Very low | 35.3 | Very low | 112 Ų | 112 | 144.3 Ų | 144.3 | 78% | 0.783 | 80% | 0.795 | S | S | * | * | | | trans | 42.6 | 154.3 | 134.9 | -42.7 | 0 | 0 | 0 | 0 | 125.9 | | |
| 581 | P | 40.5 | Very low | 35.4 | Very low | 113 Ų | 113 | 141.3 Ų | 141.3 | 73% | 0.734 | 80% | 0.797 | S | S | * | * | | | trans | -124.1 | 177.9 | -156.5 | 37.2 | -17.6 | 0 | 0 | 0 | 118 | | |
| 582 | S | 34.6 | Very low | 35.6 | Very low | 110 Ų | 110 | 136.1 Ų | 136.1 | 77% | 0.769 | 79% | 0.792 | S | S | * | * | | | trans | 84.6 | 165.7 | 158.1 | 2 | 0 | 0 | 0 | 0 | 119.8 | | |
| 583 | P | 40.8 | Very low | 35.6 | Very low | 112 Ų | 112 | 135.6 Ų | 135.6 | 73% | 0.727 | 79% | 0.794 | S | S | * | * | | | cis | -141.7 | 175.8 | -14.6 | 34.1 | -12.6 | 0 | 0 | 0 | 117.3 | | |
| 584 | S | 31.1 | Very low | 35.9 | Very low | 109 Ų | 109 | 134.8 Ų | 134.8 | 76% | 0.762 | 80% | 0.796 | S | S | * | * | | | trans | 79.6 | 125 | 144.9 | 73.4 | 0 | 0 | 0 | 0 | 121.9 | | |
| 585 | C | 30.6 | Very low | 35.6 | Very low | 138 Ų | 138 | 136.7 Ų | 136.7 | 93% | 0.932 | 79% | 0.794 | S | S | * | * | | | trans | -142.6 | 124 | 154.1 | -84.9 | 0 | 0 | 0 | 0 | 109.2 | | |
| 586 | Q | 32.4 | Very low | 35.7 | Very low | 185 Ų | 185 | 140.3 Ų | 140.3 | 86% | 0.864 | 80% | 0.804 | S | S | * | * | P | Polyproline II helix | trans | -97.3 | 150.4 | 166.2 | -73.4 | -105.9 | -61.5 | 0 | 0 | 108.9 | | |
| 587 | P | 36.7 | Very low | 35.5 | Very low | 120 Ų | 120 | 138.8 Ų | 138.8 | 78% | 0.779 | 80% | 0.8 | S | S | * | * | P | Polyproline II helix | trans | -99 | 140 | 165.1 | 33.9 | -24.2 | 0 | 0 | 0 | 112.2 | | |
| 588 | T | 37.5 | Very low | 35.4 | Very low | 131 Ų | 131 | 138.9 Ų | 138.9 | 80% | 0.804 | 80% | 0.804 | S | S | * | * | P | Polyproline II helix | trans | -75.5 | 154 | 179.2 | 23.3 | 0 | 0 | 0 | 0 | 113.9 | | |
| 589 | P | 33.4 | Very low | 35.3 | Very low | 115 Ų | 115 | 139.4 Ų | 139.4 | 75% | 0.747 | 81% | 0.807 | S | S | * | * | P | Polyproline II helix | trans | -97.4 | 149.2 | 170.9 | 36.5 | -28.5 | 0 | 0 | 0 | 112 | | |
| 590 | M | 43.6 | Very low | 34.9 | Very low | 180 Ų | 180 | 137.2 Ų | 137.2 | 89% | 0.887 | 81% | 0.805 | S | S | * | * | | | trans | -122.3 | 114.7 | 171.1 | -78.3 | -79.6 | 111 | 0 | 0 | 110.8 | | |
| 591 | L | 36.7 | Very low | 34.8 | Very low | 176 Ų | 176 | 137.3 Ų | 137.3 | 92% | 0.921 | 81% | 0.806 | S | S | * | * | | | trans | -61.9 | 154.8 | 154 | -59.6 | 157.8 | 0 | 0 | 0 | 108.6 | | |
| 592 | G | 33.7 | Very low | 34.5 | Very low | 64 Ų | 64 | 140.9 Ų | 140.9 | 66% | 0.66 | 81% | 0.813 | S | S | * | * | | | cis | 165.4 | 159.2 | 2.2 | 0 | 0 | 0 | 0 | 0 | 109.3 | | |
| 593 | L | 37.2 | Very low | 34.6 | Very low | 172 Ų | 172 | 141.3 Ų | 141.3 | 90% | 0.901 | 81% | 0.813 | S | S | * | * | | | trans | 91.6 | 156.4 | 156.8 | -53.5 | 171 | 0 | 0 | 0 | 120.8 | | |
| 594 | P | 38.3 | Very low | 34.4 | Very low | 113 Ų | 113 | 142.3 Ų | 142.3 | 73% | 0.734 | 82% | 0.817 | S | S | * | * | | | cis | -134.7 | 172.5 | -44.4 | 36.3 | -19.2 | 0 | 0 | 0 | 114.2 | | |
| 595 | Y | 29 | Very low | 34.8 | Very low | 216 Ų | 216 | 144.6 Ų | 144.6 | 85% | 0.847 | 82% | 0.82 | S | S | * | * | | | trans | -50.2 | 145.6 | 178.7 | -83 | -109.6 | 0 | 0 | 0 | 116.7 | | |
| 596 | L | 35.6 | Very low | 35 | Very low | 171 Ų | 171 | 142.7 Ų | 142.7 | 90% | 0.895 | 81% | 0.806 | S | S | * | * | | | trans | -125.3 | 119.3 | 147.6 | -84 | 173.3 | 0 | 0 | 0 | 110.4 | | |
| 597 | N | 28 | Very low | 35.2 | Very low | 143 Ų | 143 | 142.1 Ų | 142.1 | 77% | 0.765 | 80% | 0.803 | S | S | * | * | | | trans | -64.9 | 132 | 168.6 | -92.4 | -23.9 | 0 | 0 | 0 | 110.6 | | |
| 598 | I | 34.6 | Very low | 35.2 | Very low | 166 Ų | 166 | 146.9 Ų | 146.9 | 85% | 0.851 | 81% | 0.806 | S | S | * | * | | | trans | -125.8 | 113 | 154.2 | -59.7 | 179.3 | 0 | 0 | 0 | 107.8 | | |
| 599 | T | 30.7 | Very low | 35.6 | Very low | 121 Ų | 121 | 148 Ų | 148 | 74% | 0.742 | 80% | 0.799 | S | S | * | * | | | trans | -76.2 | 146 | 174.8 | 30.4 | 0 | 0 | 0 | 0 | 111.7 | | |
| 600 | S | 30.3 | Very low | 36.1 | Very low | 114 Ų | 114 | 149.8 Ų | 149.8 | 80% | 0.797 | 80% | 0.801 | S | S | * | * | | | trans | 64.2 | 101.9 | 142.3 | -177.9 | 0 | 0 | 0 | 0 | 119.2 | | |
| 601 | S | 34.6 | Very low | 35.8 | Very low | 115 Ų | 115 | 150.7 Ų | 150.7 | 80% | 0.804 | 80% | 0.796 | S | S | * | * | | | | -161.4 | 117.1 | 124.2 | 39.2 | 0 | 0 | 0 | 0 | 110.1 | | |
| 602 | Q | 34.2 | Very low | 36 | Very low | 188 Ų | 188 | 148 Ų | 148 | 88% | 0.879 | 79% | 0.787 | S | S | * | * | P | Polyproline II helix | trans | -73 | 138.5 | 169.6 | -77.1 | -152.5 | -33.6 | 0 | 0 | 110.5 | | |
| 603 | P | 37.2 | Very low | 36.4 | Very low | 119 Ų | 119 | 152.5 Ų | 152.5 | 77% | 0.773 | 80% | 0.795 | S | S | * | * | P | Polyproline II helix | trans | -99.5 | 124.9 | 153.9 | 23.2 | -7.4 | 0 | 0 | 0 | 110.1 | | |
| 604 | T | 36.2 | Very low | 36.6 | Very low | 133 Ų | 133 | 149.5 Ų | 149.5 | 82% | 0.816 | 78% | 0.784 | S | S | * | * | P | Polyproline II helix | trans | -55.2 | 133.6 | 172.6 | 46.1 | 0 | 0 | 0 | 0 | 113.1 | | |
| 605 | L | 39.8 | Very low | 36.9 | Very low | 157 Ų | 157 | 149.6 Ų | 149.6 | 82% | 0.822 | 78% | 0.784 | S | S | * | * | P | Polyproline II helix | trans | -72 | 140.3 | 171.4 | -78.9 | 158.7 | 0 | 0 | 0 | 111.4 | | |
| 606 | P | 36.4 | Very low | 37.6 | Very low | 98 Ų | 98 | 146.8 Ų | 146.8 | 64% | 0.636 | 78% | 0.778 | S | S | * | * | P | Polyproline II helix | trans | -80.9 | 131.7 | 169 | 31.1 | -28.7 | 0 | 0 | 0 | 110.8 | W608 | P606-W608 PolarHBondContact O-NE1 3.02Å; P606-W608 VanDerWaalsContact O-NE1 3.11Å |
| 607 | E | 36 | Very low | 37.9 | Very low | 172 Ų | 172 | 144.8 Ų | 144.8 | 80% | 0.804 | 77% | 0.774 | S | S | * | * | P | Polyproline II helix | trans | -54.6 | 130.8 | 170.9 | -79.3 | -179 | 132.7 | 0 | 0 | 111.9 | | |
| 608 | W | 37.3 | Very low | 38.6 | Very low | 220 Ų | 220 | 144.9 Ų | 144.9 | 83% | 0.833 | 77% | 0.769 | S | S | * | * | | | trans | -98.6 | 102.5 | 166.1 | -27.7 | -41 | 0 | 0 | 0 | 108 | P606 I610 | P606-W608 PolarHBondContact O-NE1 3.02Å; P606-W608 VanDerWaalsContact O-NE1 3.11Å; W608-I610 PolarHBondContact O-N 3.28Å |
| 609 | K | 45 | Very low | 39.2 | Very low | 155 Ų | 155 | 142.1 Ų | 142.1 | 67% | 0.674 | 76% | 0.762 | S | S | * | * | | | trans | -71.1 | 117.8 | 166.6 | -80 | 177.3 | 178.4 | 172.7 | 0 | 108.9 | Y611 | K609-Y611 PolarHBondContact O-N 3.07Š|
| 610 | I | 43.7 | Very low | 39.8 | Very low | 152 Ų | 152 | 143 Ų | 143 | 78% | 0.779 | 77% | 0.767 | S | S | * | * | | | trans | -70.2 | 111.1 | 170.8 | -60 | 170.7 | 0 | 0 | 0 | 107.6 | W608 T612 | W608-I610 PolarHBondContact O-N 3.28Å; I610-T612 PolarHBondContact O-N 3.16Å |
| 611 | Y | 38.4 | Very low | 40.6 | Very low | 199 Ų | 199 | 143.2 Ų | 143.2 | 78% | 0.78 | 76% | 0.764 | S | S | * | * | | | trans | -84.5 | 107 | 164.5 | -77 | -85.4 | 0 | 0 | 0 | 108.7 | K609 I613 | K609-Y611 PolarHBondContact O-N 3.07Å; Y611-I613 PolarHBondContact O-N 3.27Å |
| 612 | T | 39.6 | Very low | 40.8 | Very low | 121 Ų | 121 | 144.1 Ų | 144.1 | 74% | 0.742 | 76% | 0.764 | S | S | * | * | | | trans | -72.7 | 106.1 | 164.4 | 28.4 | 0 | 0 | 0 | 0 | 108.9 | I610 T614 | I610-T612 PolarHBondContact O-N 3.16Å; T612-T614 PolarHBondContact O-N 3.32Å |
| 613 | I | 41.5 | Very low | 41.4 | Very low | 158 Ų | 158 | 140.6 Ų | 140.6 | 81% | 0.81 | 76% | 0.761 | S | S | * | * | | | trans | -80.6 | 100.6 | 167.2 | -58.4 | 175.1 | 0 | 0 | 0 | 107 | Y611 | Y611-I613 PolarHBondContact O-N 3.27Š|
| 614 | T | 42.5 | Very low | 41.8 | Very low | 109 Ų | 109 | 142.5 Ų | 142.5 | 67% | 0.669 | 76% | 0.764 | S | S | * | * | | | trans | -73.8 | 131.7 | 165.8 | 37.8 | 0 | 0 | 0 | 0 | 109.2 | T612 Q616 | T612-T614 PolarHBondContact O-N 3.32Å; T614-Q616 PolarHBondContact O-N 3.49Å; T614-Q616 VanDerWaalsContact O-N 3.16Å |
| 615 | P | 45.1 | Very low | 42.2 | Very low | 115 Ų | 115 | 141.7 Ų | 141.7 | 75% | 0.747 | 76% | 0.764 | S | S | * | * | | | trans | -70.4 | 112.2 | 171.4 | 27.8 | -29.9 | 0 | 0 | 0 | 108.3 | T617 | P615-T617 PolarHBondContact O-N 3.28Š|
| 616 | Q | 42.1 | Very low | 42.6 | Very low | 156 Ų | 156 | 143.4 Ų | 143.4 | 73% | 0.729 | 79% | 0.789 | S | S | * | * | | | trans | -67.5 | 104.9 | 167.7 | -74.3 | -161.7 | 6.7 | 0 | 0 | 108.8 | T614 H618 | T614-Q616 PolarHBondContact O-N 3.49Å; T614-Q616 VanDerWaalsContact O-N 3.16Å; Q616-H618 PolarHBondContact O-N 3.4Å |
| 617 | T | 42.6 | Very low | 42.9 | Very low | 130 Ų | 130 | 145.7 Ų | 145.7 | 80% | 0.798 | 80% | 0.797 | S | S | * | * | | | trans | -73.4 | 101.8 | 161.1 | 49.8 | 0 | 0 | 0 | 0 | 108 | P615 | P615-T617 PolarHBondContact O-N 3.28Š|
| 618 | H | 43.8 | Very low | 43.3 | Very low | 145 Ų | 145 | 144.3 Ų | 144.3 | 67% | 0.671 | 80% | 0.797 | S | S | * | * | | | trans | -74.1 | 128.2 | 163.5 | -79.7 | -76.7 | 0 | 0 | 0 | 109.3 | Q616 V620 | Q616-H618 PolarHBondContact O-N 3.4Å; H618-V620 PolarHBondContact O-N 3.38Å |
| 619 | P | 46.3 | Very low | 43.6 | Very low | 108 Ų | 108 | 140.1 Ų | 140.1 | 70% | 0.701 | 80% | 0.795 | S | S | * | * | | | trans | -76.2 | 116.7 | 169.7 | 29.9 | -28.5 | 0 | 0 | 0 | 108.6 | T621 | P619-T621 PolarHBondContact O-N 3.11Š|
| 620 | V | 43.8 | Very low | 43.6 | Very low | 138 Ų | 138 | 139.2 Ų | 139.2 | 84% | 0.836 | 80% | 0.802 | S | S | * | * | | | trans | -80.5 | 94.9 | 166.1 | 178.5 | 0 | 0 | 0 | 0 | 107.1 | H618 | H618-V620 PolarHBondContact O-N 3.38Š|
| 621 | T | 46.5 | Very low | 43.6 | Very low | 119 Ų | 119 | 138.4 Ų | 138.4 | 73% | 0.73 | 80% | 0.803 | S | S | * | * | | | trans | -81 | 118 | 162 | 45.8 | 0 | 0 | 0 | 0 | 108.5 | P619 | P619-T621 PolarHBondContact O-N 3.11Š|
| 622 | T | 38.5 | Very low | 43.9 | Very low | 134 Ų | 134 | 134.4 Ų | 134.4 | 82% | 0.822 | 81% | 0.805 | S | S | * | * | | | trans | -58.5 | 125.5 | 166.7 | 46.5 | 0 | 0 | 0 | 0 | 110.7 | | |
| 623 | S | 47.3 | Very low | 44.2 | Very low | 114 Ų | 114 | 135.4 Ų | 135.4 | 80% | 0.797 | 81% | 0.809 | S | S | * | * | | | trans | -151.9 | 139.9 | 153.4 | 58 | 0 | 0 | 0 | 0 | 109.8 | | |
| 624 | D | 46.3 | Very low | 44.4 | Very low | 160 Ų | 160 | 133.6 Ų | 133.6 | 86% | 0.856 | 81% | 0.809 | S | S | * | * | | | trans | -63.9 | 162 | -161.1 | -63.4 | -61.6 | 0 | 0 | 0 | 116.5 | | |
| 625 | S | 43.7 | Very low | 44.6 | Very low | 115 Ų | 115 | 135.7 Ų | 135.7 | 80% | 0.804 | 82% | 0.821 | S | S | * | * | | | trans | -36.3 | 133.5 | 163.7 | 52.1 | 0 | 0 | 0 | 0 | 116.8 | | |
| 626 | S | 49.1 | Very low | 44.5 | Very low | 194 Ų | 194 | 137.5 Ų | 137.5 | 100% | 1.357 | 83% | 0.827 | S | S | * | * | | | trans | -155.2 | 0 | 130.1 | 65.6 | 0 | 0 | 0 | 0 | 109.6 | | |