| 1 | M | 42.7 | Very low | 46.3 | Very low | 245 Ų | 245 | 156.6 Ų | 156.6 | 100% | 1.207 | 86% | 0.859 | S | S | * | * | | | | 0 | 130.9 | 0 | -69.4 | 142.2 | 67.6 | 0 | 0 | 107.9 | | |
| 2 | G | 48.6 | Very low | 45.8 | Very low | 66 Ų | 66 | 154.1 Ų | 154.1 | 68% | 0.68 | 85% | 0.852 | S | S | * | * | P | Polyproline II helix | trans | -88.9 | 155.6 | 173.6 | 0 | 0 | 0 | 0 | 0 | 111.7 | | |
| 3 | P | 54.6 | Low | 45.2 | Very low | 132 Ų | 132 | 152.4 Ų | 152.4 | 86% | 0.857 | 85% | 0.849 | S | S | * | * | P | Polyproline II helix | trans | -72.8 | 144.9 | 177.7 | 30.4 | -34.4 | 0 | 0 | 0 | 112 | | |
| 4 | I | 46.8 | Very low | 44.9 | Very low | 165 Ų | 165 | 153.5 Ų | 153.5 | 85% | 0.846 | 85% | 0.851 | S | S | * | * | P | Polyproline II helix | trans | -80.1 | 128.3 | -178.9 | -63.5 | 164.4 | 0 | 0 | 0 | 109.5 | | |
| 5 | M | 46.4 | Very low | 44.7 | Very low | 183 Ų | 183 | 156.4 Ų | 156.4 | 90% | 0.901 | 85% | 0.851 | S | S | * | * | P | Polyproline II helix | trans | -80.8 | 128.2 | 170.2 | -69.1 | -134.3 | -61.8 | 0 | 0 | 110.8 | | |
| 6 | Q | 51.9 | Low | 44.2 | Very low | 169 Ų | 169 | 161.9 Ų | 161.9 | 79% | 0.79 | 86% | 0.856 | S | S | * | * | | | trans | -94 | 109.4 | -179.7 | -170.2 | 177.9 | 27.8 | 0 | 0 | 110.3 | | |
| 7 | E | 49.3 | Very low | 43.8 | Very low | 190 Ų | 190 | 160.6 Ų | 160.6 | 89% | 0.888 | 86% | 0.855 | S | S | * | * | | | trans | -71.2 | 132.6 | -178.6 | -163 | 172 | -171.9 | 0 | 0 | 111.4 | | |
| 8 | R | 47.8 | Very low | 43.2 | Very low | 221 Ų | 221 | 159.1 Ų | 159.1 | 83% | 0.834 | 85% | 0.852 | S | S | * | * | | | trans | -107.2 | 114.5 | 177.3 | -81.7 | -169.6 | 170.2 | 102 | -2.9 | 110.9 | A10 | R8-A10 PolarHBondContact O-N 3.28Š|
| 9 | T | 41.6 | Very low | 42.9 | Very low | 146 Ų | 146 | 156.6 Ų | 156.6 | 90% | 0.896 | 85% | 0.849 | S | S | * | * | | | trans | -64.9 | 121.7 | 175.2 | -26.7 | 0 | 0 | 0 | 0 | 111.2 | | |
| 10 | A | 41.5 | Very low | 42.9 | Very low | 89 Ų | 89 | 158.9 Ų | 158.9 | 74% | 0.736 | 85% | 0.851 | S | S | * | * | | | trans | -111.7 | 111.5 | 177.9 | 0 | 0 | 0 | 0 | 0 | 111.3 | R8 T12 | R8-A10 PolarHBondContact O-N 3.28Å; A10-T12 PolarHBondContact O-N 3.34Å |
| 11 | S | 38.2 | Very low | 42.6 | Very low | 117 Ų | 117 | 159.5 Ų | 159.5 | 82% | 0.818 | 85% | 0.848 | S | S | * | * | | | trans | -73.3 | 114 | -178.1 | -58.9 | 0 | 0 | 0 | 0 | 112.5 | T13 | S11-T13 PolarHBondContact O-N 3.37Š|
| 12 | T | 40.5 | Very low | 42.4 | Very low | 126 Ų | 126 | 157.4 Ų | 157.4 | 77% | 0.773 | 83% | 0.833 | S | S | * | * | | | trans | -85 | 111.2 | 178.7 | 55 | 0 | 0 | 0 | 0 | 112.4 | A10 L14 | A10-T12 PolarHBondContact O-N 3.34Å; T12-L14 PolarHBondContact O-N 3.48Å |
| 13 | T | 37.9 | Very low | 42.1 | Very low | 132 Ų | 132 | 161 Ų | 161 | 81% | 0.81 | 84% | 0.835 | S | S | * | * | | | trans | -77.2 | 104.6 | 177.4 | 55.8 | 0 | 0 | 0 | 0 | 111.9 | S11 K15 | S11-T13 PolarHBondContact O-N 3.37Å; T13-K15 PolarHBondContact O-N 3.34Å |
| 14 | L | 41 | Very low | 41.4 | Very low | 168 Ų | 168 | 166.4 Ų | 166.4 | 88% | 0.88 | 84% | 0.838 | S | S | * | * | P | Polyproline II helix | trans | -72.4 | 126.5 | 175.1 | -71.8 | 173.7 | 0 | 0 | 0 | 111.8 | T12 | T12-L14 PolarHBondContact O-N 3.48Š|
| 15 | K | 41.8 | Very low | 41.1 | Very low | 197 Ų | 197 | 164 Ų | 164 | 86% | 0.857 | 83% | 0.83 | S | S | * | * | P | Polyproline II helix | trans | -75.4 | 132.9 | 177 | -68.3 | 177.9 | 178.2 | 175.9 | 0 | 110.4 | T13 V17 | T13-K15 PolarHBondContact O-N 3.34Å; K15-V17 PolarHBondContact O-N 3.2Å |
| 16 | R | 36.7 | Very low | 40.7 | Very low | 245 Ų | 245 | 164.1 Ų | 164.1 | 93% | 0.925 | 83% | 0.826 | S | S | * | * | P | Polyproline II helix | trans | -68.2 | 128 | 172.2 | -64.8 | -176.4 | 179.4 | 104 | -1.2 | 110 | | |
| 17 | V | 36.7 | Very low | 39.9 | Very low | 139 Ų | 139 | 163.3 Ų | 163.3 | 84% | 0.842 | 83% | 0.827 | S | S | * | * | P | Polyproline II helix | trans | -102.6 | 127.9 | 166.6 | 176.9 | 0 | 0 | 0 | 0 | 108 | K15 | K15-V17 PolarHBondContact O-N 3.2Š|
| 18 | V | 33.7 | Very low | 39.3 | Very low | 133 Ų | 133 | 160.3 Ų | 160.3 | 81% | 0.806 | 82% | 0.822 | S | S | * | * | | | trans | -90.8 | 106.5 | -178.1 | 178.2 | 0 | 0 | 0 | 0 | 109.8 | K20 | V18-K20 PolarHBondContact O-N 2.81Š|
| 19 | S | 38.4 | Very low | 38.6 | Very low | 113 Ų | 113 | 158.7 Ų | 158.7 | 79% | 0.79 | 82% | 0.824 | S | S | * | * | | | trans | -76 | 110.2 | 171.3 | 52.1 | 0 | 0 | 0 | 0 | 110.4 | E21 | S19-E21 PolarHBondContact O-N 2.94Š|
| 20 | K | 41.8 | Very low | 38.3 | Very low | 202 Ų | 202 | 158.3 Ų | 158.3 | 88% | 0.878 | 82% | 0.816 | S | S | * | * | | | trans | -77.1 | 113.5 | -177.7 | -171.2 | 171.4 | -177.3 | 174.1 | 0 | 111.4 | V18 | V18-K20 PolarHBondContact O-N 2.81Š|
| 21 | E | 36.2 | Very low | 38 | Very low | 171 Ų | 171 | 159.5 Ų | 159.5 | 80% | 0.799 | 82% | 0.819 | S | S | * | * | | | trans | -65.7 | 145.6 | 177.9 | -170.6 | 170.9 | -174 | 0 | 0 | 112.2 | S19 | S19-E21 PolarHBondContact O-N 2.94Š|
| 22 | K | 39.8 | Very low | 37.6 | Very low | 202 Ų | 202 | 157.5 Ų | 157.5 | 88% | 0.878 | 82% | 0.818 | S | S | * | * | | | trans | -121.4 | 86.2 | -173.7 | -165.8 | 177.3 | -175.4 | -180 | 0 | 111.1 | R24 | K22-R24 PolarHBondContact O-N 3.19Š|
| 23 | I | 42.2 | Very low | 37 | Very low | 141 Ų | 141 | 156.8 Ų | 156.8 | 72% | 0.723 | 82% | 0.817 | S | S | * | * | | | trans | -63.5 | 128.1 | -179.8 | -60.8 | 173.9 | 0 | 0 | 0 | 110.4 | V25 | I23-V25 HydrophobicContact CG2-CG2 4.23Š|
| 24 | R | 39.7 | Very low | 36.7 | Very low | 246 Ų | 246 | 158 Ų | 158 | 93% | 0.928 | 82% | 0.818 | S | S | * | * | | | trans | -96.2 | 95.1 | 175.4 | 179.2 | -179.8 | 174.9 | 160.5 | -0.3 | 109.9 | K22 | K22-R24 PolarHBondContact O-N 3.19Š|
| 25 | V | 40 | Very low | 36.2 | Very low | 113 Ų | 113 | 155.7 Ų | 155.7 | 69% | 0.685 | 81% | 0.811 | S | S | * | * | | | trans | -75.6 | 140.3 | 169.8 | -179 | 0 | 0 | 0 | 0 | 109.7 | I23 | I23-V25 HydrophobicContact CG2-CG2 4.23Š|
| 26 | K | 39 | Very low | 35.8 | Very low | 186 Ų | 186 | 150.8 Ų | 150.8 | 81% | 0.809 | 80% | 0.802 | S | S | * | * | | | trans | -97.6 | 115.2 | 177 | 170.9 | -166.2 | 174.1 | -172.8 | 0 | 108.5 | | |
| 27 | N | 34.5 | Very low | 35.5 | Very low | 153 Ų | 153 | 147 Ų | 147 | 82% | 0.818 | 80% | 0.8 | S | S | * | * | | | trans | -118.8 | 145.2 | 164.4 | -82.6 | -8.7 | 0 | 0 | 0 | 109.8 | | |
| 28 | T | 37.3 | Very low | 35.2 | Very low | 127 Ų | 127 | 144 Ų | 144 | 78% | 0.779 | 80% | 0.798 | S | S | * | * | | | trans | -95.6 | 142.4 | -179.9 | -51.1 | 0 | 0 | 0 | 0 | 109.6 | | |
| 29 | E | 33.1 | Very low | 35.2 | Very low | 186 Ų | 186 | 143.5 Ų | 143.5 | 87% | 0.869 | 80% | 0.795 | S | S | * | * | | | trans | -73.3 | 140.1 | 173.6 | -62.3 | 163.9 | 111.3 | 0 | 0 | 111.6 | | |
| 30 | N | 34.1 | Very low | 34.9 | Very low | 138 Ų | 138 | 144.7 Ų | 144.7 | 74% | 0.738 | 79% | 0.788 | S | S | * | * | | | trans | -155.9 | 151.1 | 130.4 | 77.7 | 78.6 | 0 | 0 | 0 | 111.4 | | |
| 31 | S | 34.8 | Very low | 34.6 | Very low | 114 Ų | 114 | 144.3 Ų | 144.3 | 80% | 0.797 | 78% | 0.781 | S | S | * | * | | | trans | 59.7 | 156.1 | 153.8 | -43.9 | 0 | 0 | 0 | 0 | 120.8 | | |
| 32 | G | 30.2 | Very low | 34.5 | Very low | 76 Ų | 76 | 141.5 Ų | 141.5 | 78% | 0.784 | 78% | 0.779 | S | S | * | * | | | trans | 125.5 | 44.2 | 145.3 | 0 | 0 | 0 | 0 | 0 | 118.5 | | |
| 33 | S | 29 | Very low | 34.2 | Very low | 110 Ų | 110 | 138.1 Ų | 138.1 | 77% | 0.769 | 78% | 0.775 | S | S | * | * | | | trans | -48.1 | 149.6 | 170.5 | -44.7 | 0 | 0 | 0 | 0 | 116 | | |
| 34 | L | 30.7 | Very low | 33.8 | Very low | 157 Ų | 157 | 137.8 Ų | 137.8 | 82% | 0.822 | 78% | 0.779 | S | S | * | * | | | trans | 89.6 | 143 | 145.8 | -70.3 | 161.9 | 0 | 0 | 0 | 123.3 | | |
| 35 | T | 31.7 | Very low | 33.6 | Very low | 120 Ų | 120 | 133.8 Ų | 133.8 | 74% | 0.736 | 77% | 0.773 | S | S | * | * | | | trans | 80.1 | 116.8 | 147.4 | 39.3 | 0 | 0 | 0 | 0 | 123.7 | | |
| 36 | S | 31.6 | Very low | 33.2 | Very low | 94 Ų | 94 | 132.3 Ų | 132.3 | 66% | 0.657 | 78% | 0.781 | S | S | * | * | | | | 75.3 | 125 | 127.8 | 69.1 | 0 | 0 | 0 | 0 | 123.2 | | |
| 37 | N | 30.4 | Very low | 33 | Very low | 165 Ų | 165 | 131.1 Ų | 131.1 | 88% | 0.882 | 78% | 0.778 | S | S | * | * | | | | 50.4 | 120.1 | 128.5 | -54.2 | -1 | 0 | 0 | 0 | 120 | | |
| 38 | G | 30.8 | Very low | 32.9 | Very low | 78 Ų | 78 | 131.1 Ų | 131.1 | 80% | 0.804 | 78% | 0.778 | S | S | * | * | | | trans | -166.7 | 76.6 | 176.5 | 0 | 0 | 0 | 0 | 0 | 113.4 | | |
| 39 | T | 33.2 | Very low | 32.8 | Very low | 121 Ų | 121 | 135.7 Ų | 135.7 | 74% | 0.742 | 78% | 0.781 | S | S | * | * | | | trans | -26.8 | 139.5 | 161 | 33.7 | 0 | 0 | 0 | 0 | 118.5 | | |
| 40 | E | 34 | Very low | 32.8 | Very low | 138 Ų | 138 | 134.5 Ų | 134.5 | 65% | 0.645 | 78% | 0.78 | S | S | * | * | | | trans | 75.1 | 155.3 | 139.4 | -63.6 | -175.7 | 141.3 | 0 | 0 | 119.7 | | |
| 41 | R | 33.6 | Very low | 32.6 | Very low | 195 Ų | 195 | 131.7 Ų | 131.7 | 74% | 0.736 | 77% | 0.771 | S | S | * | * | | | cis | -151 | 157.1 | -10.4 | -124.5 | -179.9 | -110.8 | 160.3 | 3.3 | 110.6 | | |
| 42 | C | 34.8 | Very low | 32.4 | Very low | 111 Ų | 111 | 135.4 Ų | 135.4 | 75% | 0.75 | 77% | 0.772 | S | S | * | * | | | trans | 1.3 | 158.9 | 137.4 | -77.1 | 0 | 0 | 0 | 0 | 121.6 | | |
| 43 | V | 33.5 | Very low | 32.4 | Very low | 132 Ų | 132 | 135.3 Ų | 135.3 | 80% | 0.8 | 76% | 0.76 | S | S | * | * | | | cis | -120.7 | -131.8 | -0.7 | -151.4 | 0 | 0 | 0 | 0 | 110.3 | | |
| 44 | V | 34.3 | Very low | 32.5 | Very low | 134 Ų | 134 | 139.7 Ų | 139.7 | 81% | 0.812 | 76% | 0.761 | S | S | * | * | | | cis | -136.9 | 170.5 | 3.6 | -175.4 | 0 | 0 | 0 | 0 | 109.3 | | |
| 45 | M | 34.9 | Very low | 32.5 | Very low | 162 Ų | 162 | 137.6 Ų | 137.6 | 80% | 0.798 | 76% | 0.755 | S | S | * | * | | | trans | -76.1 | 163.5 | -175.9 | -61.3 | -172.9 | -77.1 | 0 | 0 | 116.6 | | |
| 46 | G | 32 | Very low | 32.4 | Very low | 82 Ų | 82 | 139.8 Ų | 139.8 | 85% | 0.845 | 75% | 0.754 | S | S | * | * | | | trans | -167.2 | 69.6 | 166.6 | 0 | 0 | 0 | 0 | 0 | 112.9 | | |
| 47 | Q | 35.3 | Very low | 32.4 | Very low | 161 Ų | 161 | 143 Ų | 143 | 75% | 0.752 | 76% | 0.759 | S | S | * | * | | | trans | -82.1 | 138.4 | 179.7 | -60.9 | 178.7 | 5.8 | 0 | 0 | 111.8 | | |
| 48 | N | 31.7 | Very low | 32.4 | Very low | 152 Ų | 152 | 140.5 Ų | 140.5 | 81% | 0.813 | 75% | 0.754 | S | S | * | * | | | | -166.6 | 167.2 | 101.8 | -123.4 | -40.6 | 0 | 0 | 0 | 114.7 | | |
| 49 | R | 34.5 | Very low | 32.4 | Very low | 224 Ų | 224 | 140.9 Ų | 140.9 | 85% | 0.845 | 75% | 0.75 | S | S | * | * | | | trans | -128.4 | 158.2 | 172.6 | -68.5 | -179.4 | 172.7 | -165 | -0.1 | 110 | | |
| 50 | L | 34.2 | Very low | 32.4 | Very low | 161 Ų | 161 | 143.9 Ų | 143.9 | 84% | 0.843 | 76% | 0.755 | S | S | * | * | | | trans | 153.5 | 159.9 | 137.8 | -100.1 | 60.3 | 0 | 0 | 0 | 109.6 | | |
| 51 | S | 30.2 | Very low | 32.1 | Very low | 79 Ų | 79 | 144 Ų | 144 | 55% | 0.552 | 76% | 0.755 | S | S | * | * | | | cis | -177 | 156 | -42.7 | 59.8 | 0 | 0 | 0 | 0 | 110.5 | | |
| 52 | K | 30.4 | Very low | 31.7 | Very low | 191 Ų | 191 | 145.2 Ų | 145.2 | 83% | 0.83 | 76% | 0.76 | S | S | * | * | | | trans | 68.3 | 160.6 | 153.6 | -72.4 | 168.3 | -179.1 | 179.5 | 0 | 118.2 | | |
| 53 | S | 29.8 | Very low | 31.4 | Very low | 75 Ų | 75 | 146 Ų | 146 | 52% | 0.524 | 76% | 0.761 | S | S | . | * | | | cis | 178.8 | 158.2 | -36.9 | 51.9 | 0 | 0 | 0 | 0 | 111.8 | | |
| 54 | Y | 30 | Very low | 31.2 | Very low | 202 Ų | 202 | 144.5 Ų | 144.5 | 79% | 0.792 | 76% | 0.757 | S | S | * | * | | | trans | 74.2 | 128.2 | 163.2 | -58.6 | -54.4 | 0 | 0 | 0 | 116.8 | | |
| 55 | T | 31.1 | Very low | 30.9 | Very low | 113 Ų | 113 | 148.4 Ų | 148.4 | 69% | 0.693 | 76% | 0.763 | S | S | * | * | | | | 73.3 | 147.7 | 61 | 65.1 | 0 | 0 | 0 | 0 | 114.6 | | |
| 56 | F | 29.7 | Very low | 30.7 | Very low | 165 Ų | 165 | 144.4 Ų | 144.4 | 72% | 0.724 | 76% | 0.756 | S | S | * | * | | | cis | -164.2 | 171 | 17.6 | -135.9 | -63.4 | 0 | 0 | 0 | 110.5 | | |
| 57 | H | 32.8 | Very low | 30.6 | Very low | 163 Ų | 163 | 149.3 Ų | 149.3 | 76% | 0.755 | 76% | 0.756 | S | S | * | * | | | trans | 69.3 | 162.6 | 152.7 | -83.1 | -59.7 | 0 | 0 | 0 | 119.4 | | |
| 58 | S | 29.6 | Very low | 30.4 | Very low | 111 Ų | 111 | 149.8 Ų | 149.8 | 78% | 0.776 | 76% | 0.763 | S | S | * | * | | | cis | -154.7 | 172 | -12.8 | -160.3 | 0 | 0 | 0 | 0 | 112.9 | | |
| 59 | A | 31.4 | Very low | 30.1 | Very low | 86 Ų | 86 | 145.4 Ų | 145.4 | 71% | 0.711 | 75% | 0.754 | S | S | * | * | | | trans | -77.6 | -173.5 | -166.6 | 0 | 0 | 0 | 0 | 0 | 120.2 | | |
| 60 | Q | 33 | Very low | 29.9 | Very low | 185 Ų | 185 | 142.4 Ų | 142.4 | 86% | 0.864 | 75% | 0.753 | S | S | * | * | | | trans | 86.3 | 153.5 | 164.4 | -61.5 | -159 | 60.5 | 0 | 0 | 118.5 | | |
| 61 | H | 28.5 | Very low | 29.6 | Very low | 140 Ų | 140 | 141.5 Ų | 141.5 | 65% | 0.648 | 75% | 0.749 | S | S | * | * | | | cis | -174.2 | 157.1 | -22.6 | 177.8 | -138.5 | 0 | 0 | 0 | 111.2 | | |
| 62 | W | 24.1 | Very low | 29.6 | Very low | 220 Ų | 220 | 148.5 Ų | 148.5 | 83% | 0.833 | 76% | 0.763 | S | S | * | * | | | trans | 90.5 | 159.8 | 144.1 | -124.4 | 25.1 | 0 | 0 | 0 | 125.7 | | |
| 63 | V | 28.9 | Very low | 29.5 | Very low | 127 Ų | 127 | 145 Ų | 145 | 77% | 0.77 | 76% | 0.763 | S | S | * | * | | | trans | 79.9 | 144.4 | 165.6 | -156.9 | 0 | 0 | 0 | 0 | 120.9 | | |
| 64 | S | 28.9 | Very low | 29.3 | Very low | 102 Ų | 102 | 144.4 Ų | 144.4 | 71% | 0.713 | 77% | 0.769 | S | S | * | * | | | trans | -108.1 | 172.7 | -171.7 | -40.9 | 0 | 0 | 0 | 0 | 113.9 | | |
| 65 | F | 27.8 | Very low | 29.2 | Very low | 216 Ų | 216 | 144.4 Ų | 144.4 | 95% | 0.947 | 78% | 0.776 | S | S | * | * | | | trans | -145 | 166 | 153.9 | -116.1 | -85 | 0 | 0 | 0 | 111.3 | | |
| 66 | A | 30.4 | Very low | 29.1 | Very low | 78 Ų | 78 | 144 Ų | 144 | 65% | 0.645 | 78% | 0.778 | S | S | * | * | | | trans | -146.3 | 173.4 | -165 | 0 | 0 | 0 | 0 | 0 | 114.8 | | |
| 67 | H | 30.9 | Very low | 29 | Very low | 184 Ų | 184 | 142.3 Ų | 142.3 | 85% | 0.852 | 79% | 0.785 | S | S | * | * | | | trans | 63.3 | 121.9 | 166.1 | -76.8 | -82 | 0 | 0 | 0 | 120.3 | | |
| 68 | L | 31.9 | Very low | 28.8 | Very low | 172 Ų | 172 | 141 Ų | 141 | 90% | 0.901 | 78% | 0.784 | S | S | * | * | | | | -165.3 | 160.9 | 115.1 | -105.2 | 159.6 | 0 | 0 | 0 | 110.1 | | |
| 69 | G | 24.8 | Very low | 28.8 | Very low | 59 Ų | 59 | 141.7 Ų | 141.7 | 61% | 0.608 | 78% | 0.777 | S | S | * | * | | | trans | -165 | 166.2 | 175.7 | 0 | 0 | 0 | 0 | 0 | 110.5 | | |
| 70 | I | 30.2 | Very low | 28.7 | Very low | 162 Ų | 162 | 145.6 Ų | 145.6 | 83% | 0.831 | 78% | 0.784 | S | S | * | * | | | trans | -167.6 | 160.8 | 170.7 | -105 | 150 | 0 | 0 | 0 | 109.1 | | |
| 71 | D | 27.4 | Very low | 28.7 | Very low | 142 Ų | 142 | 144.1 Ų | 144.1 | 76% | 0.759 | 78% | 0.775 | S | S | * | * | | | trans | -61.3 | 178 | -176.9 | -49 | -93.5 | 0 | 0 | 0 | 113.9 | | |
| 72 | R | 30.3 | Very low | 28.6 | Very low | 225 Ų | 225 | 145.3 Ų | 145.3 | 85% | 0.849 | 79% | 0.786 | S | S | * | * | | | cis | 177.4 | 156.7 | 45.8 | -164.7 | 171.2 | 168.9 | -171.6 | -4.4 | 112.1 | | |
| 73 | S | 29.3 | Very low | 29.2 | Very low | 118 Ų | 118 | 142.9 Ų | 142.9 | 83% | 0.825 | 78% | 0.784 | S | S | * | * | | | trans | 60.1 | 160.7 | 163.5 | 37.9 | 0 | 0 | 0 | 0 | 117.5 | | |
| 74 | G | 25 | Very low | 29.5 | Very low | 63 Ų | 63 | 142.8 Ų | 142.8 | 65% | 0.649 | 79% | 0.789 | S | S | * | * | | | cis | 147.6 | 141.7 | -5.3 | 0 | 0 | 0 | 0 | 0 | 111.6 | | |
| 75 | E | 27.8 | Very low | 29.5 | Very low | 202 Ų | 202 | 141.4 Ų | 141.4 | 94% | 0.944 | 79% | 0.791 | S | S | * | * | | | trans | 62.1 | 174.1 | 175.8 | -56.1 | -174.3 | 136.8 | 0 | 0 | 116.4 | | |
| 76 | S | 29 | Very low | 29.7 | Very low | 104 Ų | 104 | 136.2 Ų | 136.2 | 73% | 0.727 | 78% | 0.782 | S | S | * | * | | | | -173.3 | 131.7 | -52 | -175 | 0 | 0 | 0 | 0 | 106.7 | | |
| 77 | C | 27.9 | Very low | 29.5 | Very low | 129 Ų | 129 | 139.4 Ų | 139.4 | 87% | 0.872 | 79% | 0.793 | S | S | * | * | | | trans | -95.6 | 130.3 | -174.5 | -63.4 | 0 | 0 | 0 | 0 | 112.6 | | |
| 78 | N | 27.6 | Very low | 29.7 | Very low | 137 Ų | 137 | 135.4 Ų | 135.4 | 73% | 0.733 | 78% | 0.784 | S | S | * | * | | | trans | -131.9 | 112.7 | 172.8 | -105.7 | -42.1 | 0 | 0 | 0 | 113.4 | | |
| 79 | I | 29.8 | Very low | 29.8 | Very low | 125 Ų | 125 | 132.9 Ų | 132.9 | 64% | 0.641 | 78% | 0.776 | S | S | * | * | | | trans | 31.9 | 121.8 | 133.4 | -50.6 | 172.8 | 0 | 0 | 0 | 118.5 | K81 | I79-K81 HydrophobicContact CG2-CG 4.1Š|
| 80 | I | 29.1 | Very low | 30.2 | Very low | 167 Ų | 167 | 137.9 Ų | 137.9 | 86% | 0.856 | 78% | 0.783 | S | S | * | * | | | trans | -127.6 | 136.3 | 132 | -66.1 | -174.2 | 0 | 0 | 0 | 108.7 | | |
| 81 | K | 33 | Very low | 30.1 | Very low | 154 Ų | 154 | 137.1 Ų | 137.1 | 67% | 0.67 | 78% | 0.781 | S | S | * | * | | | trans | -106.7 | 167.9 | 172.3 | -69.3 | 174.5 | 177.3 | 172.2 | 0 | 109.8 | I79 | I79-K81 HydrophobicContact CG2-CG 4.1Š|
| 82 | N | 27.4 | Very low | 30.3 | Very low | 166 Ų | 166 | 136.3 Ų | 136.3 | 89% | 0.888 | 79% | 0.785 | S | S | * | * | | | trans | -147.2 | 153.8 | 138.7 | -100.8 | -33.7 | 0 | 0 | 0 | 111.7 | | |
| 83 | Q | 36.2 | Very low | 30.1 | Very low | 169 Ų | 169 | 131.2 Ų | 131.2 | 79% | 0.79 | 78% | 0.784 | S | S | * | * | | | trans | -114.3 | 173.4 | 178.9 | -66.3 | 179.3 | -21.7 | 0 | 0 | 108.4 | | |
| 84 | S | 35.7 | Very low | 30.1 | Very low | 125 Ų | 125 | 136.2 Ų | 136.2 | 87% | 0.874 | 79% | 0.785 | S | S | * | * | | | cis | -174.6 | 172.4 | 49.4 | 49.7 | 0 | 0 | 0 | 0 | 107.9 | | |
| 85 | G | 27.4 | Very low | 30.4 | Very low | 73 Ų | 73 | 139.5 Ų | 139.5 | 75% | 0.753 | 79% | 0.792 | S | S | * | * | | | cis | -176.9 | -155.1 | 2.8 | 0 | 0 | 0 | 0 | 0 | 106.4 | | |
| 86 | S | 33 | Very low | 31.8 | Very low | 107 Ų | 107 | 135 Ų | 135 | 75% | 0.748 | 78% | 0.78 | S | S | * | * | | | cis | 179.2 | 124.2 | -27.5 | 173 | 0 | 0 | 0 | 0 | 107.8 | | |
| 87 | V | 26.5 | Very low | 31.8 | Very low | 145 Ų | 145 | 139 Ų | 139 | 88% | 0.879 | 79% | 0.787 | S | S | * | * | | | trans | -146.8 | 139.7 | 163.1 | -177.5 | 0 | 0 | 0 | 0 | 108.5 | | |
| 88 | C | 34.8 | Very low | 32 | Very low | 99 Ų | 99 | 137.9 Ų | 137.9 | 67% | 0.669 | 79% | 0.787 | S | S | * | * | | | trans | -109.2 | 173.7 | -179.3 | -58.9 | 0 | 0 | 0 | 0 | 111.1 | | |
| 89 | T | 33.6 | Very low | 32.3 | Very low | 120 Ų | 120 | 140.5 Ų | 140.5 | 74% | 0.736 | 80% | 0.795 | S | S | * | * | | | | -176.5 | 141 | 81 | 32.9 | 0 | 0 | 0 | 0 | 112.6 | | |
| 90 | H | 33.4 | Very low | 32.4 | Very low | 164 Ų | 164 | 141.3 Ų | 141.3 | 76% | 0.759 | 81% | 0.805 | S | S | * | * | | | trans | 50.1 | 150.5 | 145.5 | -69.2 | -81.9 | 0 | 0 | 0 | 121.2 | | |
| 91 | N | 28.7 | Very low | 32.5 | Very low | 146 Ų | 146 | 139.9 Ų | 139.9 | 78% | 0.781 | 80% | 0.795 | S | S | * | * | | | cis | -150.1 | 164.8 | 12 | -126.8 | -15.9 | 0 | 0 | 0 | 111.7 | | |
| 92 | C | 29.7 | Very low | 32.4 | Very low | 124 Ų | 124 | 142.6 Ų | 142.6 | 84% | 0.838 | 81% | 0.807 | S | S | * | * | | | trans | -153.3 | 151.8 | 172.6 | -171.4 | 0 | 0 | 0 | 0 | 111 | | |
| 93 | S | 27.3 | Very low | 32.7 | Very low | 118 Ų | 118 | 144 Ų | 144 | 83% | 0.825 | 80% | 0.8 | S | S | * | * | | | trans | -142.3 | 175.2 | 176.3 | -161.8 | 0 | 0 | 0 | 0 | 112.1 | | |
| 94 | R | 29.7 | Very low | 33.3 | Very low | 224 Ų | 224 | 140.1 Ų | 140.1 | 85% | 0.845 | 79% | 0.789 | S | S | * | * | | | trans | -131.7 | 133.9 | -147.4 | -81.4 | -173.6 | -176.6 | -175.6 | 2.2 | 115 | | |
| 95 | V | 30 | Very low | 33.1 | Very low | 132 Ų | 132 | 141.9 Ų | 141.9 | 80% | 0.8 | 78% | 0.784 | S | S | * | * | | | trans | 28.6 | 171.9 | 136.3 | -84.1 | 0 | 0 | 0 | 0 | 122.2 | | |
| 96 | P | 56.9 | Low | 33.3 | Very low | 107 Ų | 107 | 144.1 Ų | 144.1 | 70% | 0.695 | 78% | 0.778 | S | S | * | * | | | cis | -136.6 | -165.8 | -1.6 | 23 | 4.8 | 0 | 0 | 0 | 115.7 | | |
| 97 | E | 29.7 | Very low | 33.2 | Very low | 189 Ų | 189 | 148.2 Ų | 148.2 | 88% | 0.883 | 78% | 0.777 | S | S | * | * | | | trans | 82.5 | 120.8 | 151.6 | -51.8 | -154.2 | 139.2 | 0 | 0 | 122.7 | | |
| 98 | A | 31.9 | Very low | 33.5 | Very low | 105 Ų | 105 | 148.5 Ų | 148.5 | 87% | 0.868 | 77% | 0.766 | S | S | * | * | | | | -165 | 154.3 | 119.3 | 0 | 0 | 0 | 0 | 0 | 110 | | |
| 99 | E | 34.1 | Very low | 33.3 | Very low | 191 Ų | 191 | 150.7 Ų | 150.7 | 89% | 0.893 | 77% | 0.767 | S | S | * | * | | | trans | -91.2 | 163.4 | -177.8 | -58.7 | 177.1 | 111.5 | 0 | 0 | 113.7 | | |
| 100 | V | 32.8 | Very low | 33.2 | Very low | 142 Ų | 142 | 149.1 Ų | 149.1 | 86% | 0.861 | 76% | 0.761 | S | S | * | * | | | | 177.7 | 131.1 | 120.8 | 150.5 | 0 | 0 | 0 | 0 | 109.8 | | |
| 101 | E | 30.2 | Very low | 33.1 | Very low | 138 Ų | 138 | 146.5 Ų | 146.5 | 65% | 0.645 | 76% | 0.761 | S | S | * | * | | | trans | -95.9 | 146.4 | 173.3 | -176.1 | -173.3 | 171.6 | 0 | 0 | 110.5 | | |
| 102 | F | 32.3 | Very low | 33.4 | Very low | 211 Ų | 211 | 144 Ų | 144 | 93% | 0.925 | 76% | 0.76 | S | S | * | * | | | trans | -159.4 | 154.4 | 133.7 | -100.7 | -61.7 | 0 | 0 | 0 | 113.6 | | |
| 103 | R | 32 | Very low | 33.5 | Very low | 196 Ų | 196 | 145.4 Ų | 145.4 | 74% | 0.74 | 75% | 0.754 | S | S | * | * | | | trans | -112.4 | -173.3 | -165.4 | -102.3 | -175.7 | 152.5 | -153.2 | 4.7 | 110.4 | | |
| 104 | P | 48.9 | Very low | 33.8 | Very low | 86 Ų | 86 | 148.9 Ų | 148.9 | 56% | 0.558 | 75% | 0.749 | S | S | * | * | | | cis | -146.5 | -166.8 | -43.9 | 42.9 | -24.9 | 0 | 0 | 0 | 114.6 | | |
| 105 | Q | 33.1 | Very low | 34.1 | Very low | 162 Ų | 162 | 146 Ų | 146 | 76% | 0.757 | 74% | 0.743 | S | S | * | * | | | trans | 71.7 | 167.9 | 148.2 | -76.9 | 169.9 | 14.3 | 0 | 0 | 118.1 | | |
| 106 | L | 29.7 | Very low | 34.4 | Very low | 121 Ų | 121 | 146.9 Ų | 146.9 | 63% | 0.634 | 74% | 0.739 | S | S | * | * | | | cis | -150.2 | 128.8 | 12.2 | -159.6 | 87.1 | 0 | 0 | 0 | 114.6 | | |
| 107 | R | 31 | Very low | 33.1 | Very low | 192 Ų | 192 | 149 Ų | 149 | 73% | 0.725 | 74% | 0.739 | S | S | * | * | | | trans | 51.7 | 143.5 | 139.8 | -79.4 | 176.1 | 159 | 175 | -3 | 125.7 | | |
| 108 | K | 33.4 | Very low | 33.3 | Very low | 151 Ų | 151 | 148.1 Ų | 148.1 | 66% | 0.657 | 73% | 0.732 | S | S | * | * | | | trans | 79.9 | 152.1 | 134 | -76.6 | 171.6 | 163.6 | -150.9 | 0 | 118.7 | | |
| 109 | Q | 30.5 | Very low | 33.5 | Very low | 145 Ų | 145 | 153.4 Ų | 153.4 | 68% | 0.678 | 73% | 0.73 | S | S | * | * | | | cis | -155.9 | 167.6 | -6.8 | -130.9 | 166.1 | -50.2 | 0 | 0 | 114.5 | | |
| 110 | S | 31.3 | Very low | 33.3 | Very low | 88 Ų | 88 | 150.8 Ų | 150.8 | 62% | 0.615 | 72% | 0.717 | S | S | * | * | | | trans | -5.8 | 157.1 | 147.5 | 57.2 | 0 | 0 | 0 | 0 | 121.1 | | |
| 111 | S | 32.8 | Very low | 33.1 | Very low | 108 Ų | 108 | 149.2 Ų | 149.2 | 76% | 0.755 | 70% | 0.704 | S | S | * | * | | | cis | 175.9 | 175.4 | -4.7 | 52.1 | 0 | 0 | 0 | 0 | 111.9 | | |
| 112 | A | 34.7 | Very low | 33.3 | Very low | 93 Ų | 93 | 150 Ų | 150 | 77% | 0.769 | 71% | 0.708 | S | S | * | * | | | trans | 75.4 | 166.7 | 161 | 0 | 0 | 0 | 0 | 0 | 116.1 | | |
| 113 | H | 30.8 | Very low | 33.3 | Very low | 155 Ų | 155 | 151.3 Ų | 151.3 | 72% | 0.718 | 71% | 0.707 | S | S | * | * | | | cis | -147.1 | 137.7 | 9.8 | -177.3 | -105.1 | 0 | 0 | 0 | 113.8 | | |
| 114 | R | 34.2 | Very low | 33.3 | Very low | 190 Ų | 190 | 149 Ų | 149 | 72% | 0.717 | 71% | 0.708 | S | S | * | * | | | trans | 7.2 | 142 | 152.3 | -94.1 | 178.2 | 174.2 | -175.2 | -1.7 | 122.7 | | |
| 115 | K | 35.9 | Very low | 32.6 | Very low | 163 Ų | 163 | 149.5 Ų | 149.5 | 71% | 0.709 | 71% | 0.714 | S | S | * | * | | | | 50.2 | 153.8 | 124.4 | -75.5 | -179.7 | 166.2 | -99.7 | 0 | 120 | | |
| 116 | E | 36.2 | Very low | 33.4 | Very low | 152 Ų | 152 | 148 Ų | 148 | 71% | 0.71 | 72% | 0.718 | S | S | * | * | | | cis | -178.1 | 179.9 | -9.4 | 174.2 | 167.4 | -161.9 | 0 | 0 | 108.1 | | |
| 117 | E | 30 | Very low | 33.3 | Very low | 150 Ų | 150 | 147.8 Ų | 147.8 | 70% | 0.701 | 73% | 0.725 | S | S | * | * | | | trans | 113 | 95.5 | 158.7 | -160.4 | 157.6 | -163.7 | 0 | 0 | 119.9 | | |
| 118 | K | 33.3 | Very low | 33.1 | Very low | 171 Ų | 171 | 142.2 Ų | 142.2 | 74% | 0.743 | 73% | 0.728 | S | S | * | * | | | | 53.8 | 107.2 | 120.3 | -166.5 | -170.4 | -179.6 | -174.5 | 0 | 122.5 | | |
| 119 | R | 36.7 | Very low | 33 | Very low | 217 Ų | 217 | 140.2 Ų | 140.2 | 82% | 0.819 | 73% | 0.728 | S | S | * | * | | | | 54.1 | 125.2 | 124 | -125.1 | -167.8 | -164.7 | -140.5 | 14.4 | 122 | | |
| 120 | E | 30.2 | Very low | 33.1 | Very low | 135 Ų | 135 | 140.4 Ų | 140.4 | 63% | 0.631 | 73% | 0.729 | S | S | * | * | | | | 114.7 | 125.1 | 123.4 | -155.2 | 163.9 | 144.1 | 0 | 0 | 121.9 | | |
| 121 | N | 28.4 | Very low | 33.4 | Very low | 109 Ų | 109 | 142.9 Ų | 142.9 | 58% | 0.583 | 74% | 0.735 | S | S | * | * | | | trans | 62.3 | 110.6 | 154.2 | -80.4 | -43.1 | 0 | 0 | 0 | 125.9 | | |
| 122 | Q | 33.8 | Very low | 33.6 | Very low | 156 Ų | 156 | 144.8 Ų | 144.8 | 73% | 0.729 | 74% | 0.736 | S | S | * | * | | | | 51.2 | 124 | 123.2 | -66.7 | -176.1 | 74 | 0 | 0 | 124.4 | | |
| 123 | R | 32.9 | Very low | 33.9 | Very low | 238 Ų | 238 | 146.3 Ų | 146.3 | 90% | 0.898 | 74% | 0.738 | S | S | * | * | | | trans | -168.7 | 138.5 | 133.8 | -101.5 | 167.4 | -167.7 | -150 | 2.9 | 107.6 | | |
| 124 | L | 32.4 | Very low | 34 | Very low | 146 Ų | 146 | 145.3 Ų | 145.3 | 76% | 0.764 | 74% | 0.738 | S | S | * | * | | | cis | 70.9 | 128 | 37.2 | -58.7 | 176.8 | 0 | 0 | 0 | 113.3 | | |
| 125 | S | 32.7 | Very low | 34.1 | Very low | 98 Ų | 98 | 147.1 Ų | 147.1 | 69% | 0.685 | 75% | 0.745 | S | S | * | * | | | cis | -158.4 | 159.8 | 2.1 | 169 | 0 | 0 | 0 | 0 | 110 | | |
| 126 | P | 50.3 | Low | 34.1 | Very low | 129 Ų | 129 | 147.5 Ų | 147.5 | 84% | 0.838 | 75% | 0.749 | S | S | * | * | | | | -138.4 | -154.8 | 120.9 | 40.2 | -27.4 | 0 | 0 | 0 | 113 | | |
| 127 | C | 27.2 | Very low | 34.1 | Very low | 117 Ų | 117 | 143.5 Ų | 143.5 | 79% | 0.791 | 75% | 0.749 | S | S | * | * | | | trans | -155 | 169.6 | -163 | -169.1 | 0 | 0 | 0 | 0 | 112.5 | T129 | C127-T129 PolarHBondContact SG-OG1 2.95Š|
| 128 | G | 27.2 | Very low | 34.5 | Very low | 75 Ų | 75 | 145.6 Ų | 145.6 | 77% | 0.773 | 76% | 0.761 | S | S | * | * | | | trans | -170.4 | 117.1 | 167.9 | 0 | 0 | 0 | 0 | 0 | 110.5 | | |
| 129 | T | 30.8 | Very low | 34.8 | Very low | 109 Ų | 109 | 140.3 Ų | 140.3 | 67% | 0.669 | 76% | 0.755 | S | S | * | * | | | trans | -136.2 | -170 | -162.3 | -52.8 | 0 | 0 | 0 | 0 | 110.9 | C127 | C127-T129 PolarHBondContact SG-OG1 2.95Š|
| 130 | E | 33.6 | Very low | 35.5 | Very low | 150 Ų | 150 | 139.5 Ų | 139.5 | 70% | 0.701 | 76% | 0.757 | S | S | * | * | | | trans | 88.5 | 132.2 | 174.5 | -50 | -68 | 79.4 | 0 | 0 | 114.8 | | |
| 131 | L | 37 | Very low | 35.9 | Very low | 139 Ų | 139 | 140.2 Ų | 140.2 | 73% | 0.728 | 77% | 0.765 | S | S | * | * | | | cis | -154.1 | 156 | -5.6 | -114.3 | 170.8 | 0 | 0 | 0 | 111.3 | | |
| 132 | L | 36.8 | Very low | 36.6 | Very low | 149 Ų | 149 | 144.8 Ų | 144.8 | 78% | 0.78 | 77% | 0.774 | S | S | * | * | | | trans | -90.9 | 158.3 | 157.1 | -84 | 169.5 | 0 | 0 | 0 | 109.6 | | |
| 133 | P | 41.5 | Very low | 36.9 | Very low | 125 Ų | 125 | 147.6 Ų | 147.6 | 81% | 0.812 | 78% | 0.778 | S | S | * | * | | | | -130.9 | 132.2 | 123.2 | 35.3 | -28.8 | 0 | 0 | 0 | 113.2 | | |
| 134 | N | 33.2 | Very low | 37.2 | Very low | 133 Ų | 133 | 140 Ų | 140 | 71% | 0.711 | 77% | 0.767 | S | S | * | * | | | trans | -83.8 | 128.6 | 166.3 | 178.3 | -16.8 | 0 | 0 | 0 | 109.2 | | |
| 135 | R | 37.3 | Very low | 37.5 | Very low | 229 Ų | 229 | 142.1 Ų | 142.1 | 86% | 0.864 | 78% | 0.778 | S | S | * | * | | | trans | -117.9 | 139.3 | 158.4 | -91.4 | -165.1 | 175 | -87 | 0.9 | 110.4 | | |
| 136 | Q | 34.5 | Very low | 37.9 | Very low | 170 Ų | 170 | 142 Ų | 142 | 79% | 0.794 | 78% | 0.777 | S | S | * | * | | | trans | -75.3 | 145.1 | -168.1 | -56.8 | 104.4 | -5.6 | 0 | 0 | 113.5 | | |
| 137 | G | 37.7 | Very low | 37.7 | Very low | 69 Ų | 69 | 143.4 Ų | 143.4 | 71% | 0.711 | 78% | 0.776 | S | S | * | * | | | | 79.8 | 78.2 | 119.2 | 0 | 0 | 0 | 0 | 0 | 119.1 | | |
| 138 | M | 37.2 | Very low | 38.5 | Very low | 193 Ų | 193 | 143.6 Ų | 143.6 | 95% | 0.951 | 78% | 0.777 | S | S | * | * | | | trans | -172.4 | 134.8 | 142.8 | -102.1 | 153 | 61.5 | 0 | 0 | 107.9 | | |
| 139 | G | 40.1 | Very low | 39 | Very low | 60 Ų | 60 | 147.8 Ų | 147.8 | 62% | 0.619 | 78% | 0.78 | S | S | * | * | | | cis | 135 | 120.5 | -1.4 | 0 | 0 | 0 | 0 | 0 | 111.2 | | |
| 140 | K | 51.4 | Low | 39.3 | Very low | 201 Ų | 201 | 147.5 Ų | 147.5 | 87% | 0.874 | 78% | 0.782 | S | S | * | * | | | trans | 99.9 | 137.1 | 174 | -54.7 | 152.2 | -173.7 | 174.3 | 0 | 116.5 | | |
| 141 | N | 38.7 | Very low | 39.8 | Very low | 149 Ų | 149 | 146.3 Ų | 146.3 | 80% | 0.797 | 79% | 0.787 | S | S | * | * | | | trans | 49.6 | 119.2 | 161.3 | -55.5 | -28.5 | 0 | 0 | 0 | 119.4 | | |
| 142 | R | 42.1 | Very low | 40.1 | Very low | 205 Ų | 205 | 147.7 Ų | 147.7 | 77% | 0.774 | 79% | 0.794 | S | S | * | * | | | cis | 75.1 | 107.2 | 47.2 | -73.5 | -165.7 | 166.4 | -168.9 | -1 | 116.5 | | |
| 143 | R | 41.6 | Very low | 40 | Very low | 215 Ų | 215 | 146.3 Ų | 146.3 | 81% | 0.811 | 80% | 0.796 | S | S | * | * | | | trans | 87.3 | 146.3 | 136.4 | -68.9 | 177.8 | 174 | -165.8 | -4.1 | 120.7 | | |
| 144 | A | 38.7 | Very low | 39.7 | Very low | 80 Ų | 80 | 144.2 Ų | 144.2 | 66% | 0.661 | 80% | 0.797 | S | S | * | * | | | trans | 74.2 | 89.5 | 150.5 | 0 | 0 | 0 | 0 | 0 | 119.1 | S146 | A144-S146 PolarHBondContact O-N 3.07Š|
| 145 | L | 38.4 | Very low | 39.8 | Very low | 190 Ų | 190 | 146.1 Ų | 146.1 | 100% | 0.995 | 81% | 0.806 | S | S | * | * | | | trans | -74.9 | 81 | 138.4 | -68.9 | 176.6 | 0 | 0 | 0 | 108.4 | | |
| 146 | S | 40.7 | Very low | 39.7 | Very low | 95 Ų | 95 | 145.8 Ų | 145.8 | 66% | 0.664 | 81% | 0.805 | S | S | * | * | P | Polyproline II helix | trans | -98.1 | 128.3 | 169.9 | 50.1 | 0 | 0 | 0 | 0 | 109.8 | A144 | A144-S146 PolarHBondContact O-N 3.07Š|
| 147 | L | 45.7 | Very low | 39.7 | Very low | 158 Ų | 158 | 145.5 Ų | 145.5 | 83% | 0.827 | 81% | 0.806 | S | S | * | * | P | Polyproline II helix | trans | -60.3 | 138.8 | -177.3 | -60.3 | 170.6 | 0 | 0 | 0 | 111.8 | I149 | L147-I149 PolarHBondContact O-N 3.28Š|
| 148 | P | 45.2 | Very low | 39.3 | Very low | 122 Ų | 122 | 148.2 Ų | 148.2 | 79% | 0.792 | 81% | 0.814 | S | S | * | * | P | Polyproline II helix | trans | -71.9 | 118.3 | 172.6 | 29.2 | -32.8 | 0 | 0 | 0 | 110.5 | | |
| 149 | I | 36.8 | Very low | 39 | Very low | 163 Ų | 163 | 144.9 Ų | 144.9 | 84% | 0.836 | 81% | 0.809 | S | S | * | * | P | Polyproline II helix | trans | -82.9 | 119.6 | 170.7 | -60.6 | 172.3 | 0 | 0 | 0 | 107.7 | L147 | L147-I149 PolarHBondContact O-N 3.28Š|
| 150 | S | 38.3 | Very low | 38.7 | Very low | 102 Ų | 102 | 146.7 Ų | 146.7 | 71% | 0.713 | 81% | 0.813 | S | S | * | * | P | Polyproline II helix | trans | -76.5 | 133.7 | 176.1 | -63.2 | 0 | 0 | 0 | 0 | 110.9 | | |
| 151 | P | 43 | Very low | 37.9 | Very low | 125 Ų | 125 | 145.8 Ų | 145.8 | 81% | 0.812 | 81% | 0.812 | S | S | * | * | P | Polyproline II helix | trans | -75.6 | 141.1 | 176.5 | 31.3 | -34.3 | 0 | 0 | 0 | 111.4 | | |
| 152 | I | 42.9 | Very low | 38.2 | Very low | 169 Ų | 169 | 143.6 Ų | 143.6 | 87% | 0.867 | 81% | 0.805 | S | S | * | * | P | Polyproline II helix | trans | -91.1 | 127.9 | 171.7 | -61.4 | 174.4 | 0 | 0 | 0 | 108.9 | | |
| 153 | S | 34.5 | Very low | 37.9 | Very low | 119 Ų | 119 | 140.8 Ų | 140.8 | 83% | 0.832 | 81% | 0.805 | S | S | * | * | | | trans | -163.6 | 151 | 168.1 | -82 | 0 | 0 | 0 | 0 | 110.9 | | |
| 154 | G | 34.9 | Very low | 37.6 | Very low | 81 Ų | 81 | 137 Ų | 137 | 84% | 0.835 | 80% | 0.798 | S | S | * | * | | | trans | 93.6 | 88.6 | 162.5 | 0 | 0 | 0 | 0 | 0 | 116.9 | | |
| 155 | L | 35.8 | Very low | 37.4 | Very low | 173 Ų | 173 | 141.5 Ų | 141.5 | 91% | 0.906 | 81% | 0.805 | S | S | * | * | | | trans | -68.5 | 125.6 | 154.7 | -87.6 | 162.2 | 0 | 0 | 0 | 110.2 | | |
| 156 | R | 34.6 | Very low | 37.3 | Very low | 222 Ų | 222 | 137.6 Ų | 137.6 | 84% | 0.838 | 79% | 0.794 | S | S | * | * | | | | 160 | 142.8 | 110.8 | -81.8 | -142.7 | -71.9 | -166.4 | -1 | 114.6 | | |
| 157 | M | 34.5 | Very low | 37.5 | Very low | 165 Ų | 165 | 139.1 Ų | 139.1 | 81% | 0.813 | 80% | 0.801 | S | S | * | * | | | trans | 33 | 113 | 141.8 | -54.8 | -67.6 | 90.6 | 0 | 0 | 119.6 | | |
| 158 | S | 30.1 | Very low | 37.6 | Very low | 126 Ų | 126 | 135.9 Ų | 135.9 | 88% | 0.881 | 80% | 0.797 | S | S | * | * | | | trans | -92.3 | 116.4 | 159 | 55.6 | 0 | 0 | 0 | 0 | 111.3 | | |
| 159 | S | 31.9 | Very low | 37.6 | Very low | 122 Ų | 122 | 136.1 Ų | 136.1 | 85% | 0.853 | 80% | 0.799 | S | S | * | * | | | trans | -128.1 | 153 | 160.9 | 57 | 0 | 0 | 0 | 0 | 109.8 | | |
| 160 | S | 33.3 | Very low | 38.6 | Very low | 99 Ų | 99 | 133.2 Ų | 133.2 | 69% | 0.692 | 79% | 0.789 | S | S | * | * | | | trans | -95.6 | 143.3 | -158.9 | 53.4 | 0 | 0 | 0 | 0 | 115.6 | | |
| 161 | H | 35 | Very low | 39.2 | Very low | 182 Ų | 182 | 133.6 Ų | 133.6 | 84% | 0.843 | 79% | 0.789 | S | S | * | * | | | trans | 68.4 | 163.8 | 159 | -66.8 | -56.6 | 0 | 0 | 0 | 117.5 | | |
| 162 | P | 43.8 | Very low | 39.6 | Very low | 102 Ų | 102 | 133.7 Ų | 133.7 | 66% | 0.662 | 78% | 0.778 | S | S | * | * | | | | -136.8 | 178.5 | -59.1 | 39.9 | -24.2 | 0 | 0 | 0 | 113.4 | | |
| 163 | L | 37.1 | Very low | 40 | Very low | 146 Ų | 146 | 129.8 Ų | 129.8 | 76% | 0.764 | 77% | 0.771 | S | S | * | * | | | trans | 33.3 | 116.5 | 150.6 | -72.2 | 162.2 | 0 | 0 | 0 | 119.7 | | |
| 164 | M | 33.9 | Very low | 40.6 | Very low | 136 Ų | 136 | 131.3 Ų | 131.3 | 67% | 0.67 | 77% | 0.769 | S | S | * | * | | | | 176.7 | 144.6 | 111.4 | -93.5 | -68.6 | 100.5 | 0 | 0 | 113.8 | | |
| 165 | H | 35.1 | Very low | 41.5 | Very low | 175 Ų | 175 | 134.9 Ų | 134.9 | 81% | 0.81 | 76% | 0.764 | S | S | * | * | | | trans | 55.5 | 144.7 | 162.1 | -57.5 | -55.5 | 0 | 0 | 0 | 122.5 | | |
| 166 | S | 35.3 | Very low | 42.2 | Very low | 108 Ų | 108 | 135.1 Ų | 135.1 | 76% | 0.755 | 76% | 0.761 | S | S | * | * | | | trans | -112.1 | 152.3 | 166.7 | -164 | 0 | 0 | 0 | 0 | 107.9 | | |
| 167 | P | 45.8 | Very low | 42.7 | Very low | 126 Ų | 126 | 133 Ų | 133 | 82% | 0.818 | 76% | 0.76 | S | S | * | * | | | | -137.2 | 168.5 | 84.6 | 36.1 | -21.5 | 0 | 0 | 0 | 114.3 | | |
| 168 | A | 47.9 | Very low | 43.3 | Very low | 90 Ų | 90 | 135 Ų | 135 | 74% | 0.744 | 76% | 0.76 | S | S | * | * | P | Polyproline II helix | trans | -92.2 | 142.2 | 179.3 | 0 | 0 | 0 | 0 | 0 | 113.1 | | |
| 169 | P | 44.4 | Very low | 44.2 | Very low | 128 Ų | 128 | 136.2 Ų | 136.2 | 83% | 0.831 | 76% | 0.757 | S | S | * | * | P | Polyproline II helix | trans | -92.1 | 162 | 168.5 | 35.8 | -32.8 | 0 | 0 | 0 | 113 | | |
| 170 | T | 58.9 | Low | 44.6 | Very low | 102 Ų | 102 | 137.8 Ų | 137.8 | 63% | 0.626 | 76% | 0.756 | S | S | * | * | P | Polyproline II helix | trans | -93.6 | 166 | -170.6 | 57.9 | 0 | 0 | 0 | 0 | 113.4 | E172 | T170-E172 VanDerWaalsContact C-N 3.32Å; T170-E172 WeakPolarHBondContact CB-OE2 3.08Å; T170-E172 PolarHBondContact O-N 3.49Å; T170-E172 PolarHBondContact OG1-OE2 2.92Å |
| 171 | P | 49.5 | Very low | 45.2 | Very low | 110 Ų | 110 | 141.5 Ų | 141.5 | 71% | 0.714 | 76% | 0.759 | S | S | * | * | G | 310 helix | trans | -77.9 | -3.3 | -164 | 31 | -35.4 | 0 | 0 | 0 | 116.2 | A173 | P171-A173 PolarHBondContact O-N 3.27Š|
| 172 | E | 53.1 | Low | 45.6 | Very low | 127 Ų | 127 | 140.6 Ų | 140.6 | 59% | 0.593 | 76% | 0.755 | S | S | * | * | G | 310 helix | trans | -64.6 | -24.3 | -175.4 | -65.2 | 68.8 | -147 | 0 | 0 | 113.5 | T170 L174 Q175 | T170-E172 VanDerWaalsContact C-N 3.32Å; T170-E172 WeakPolarHBondContact CB-OE2 3.08Å; T170-E172 PolarHBondContact O-N 3.49Å; T170-E172 PolarHBondContact OG1-OE2 2.92Å; E172-L174 PolarHBondContact O-N 3.48Å; E172-L174 VanDerWaalsContact O-N 3.16Å; E172-Q175 PolarHBondContact O-N 2.58Å |
| 173 | A | 49.7 | Very low | 45.9 | Very low | 87 Ų | 87 | 143.2 Ų | 143.2 | 72% | 0.719 | 76% | 0.764 | S | S | * | * | G | 310 helix | trans | -65.2 | -18.6 | -173.7 | 0 | 0 | 0 | 0 | 0 | 114.9 | P171 | P171-A173 PolarHBondContact O-N 3.27Š|
| 174 | L | 48.6 | Very low | 46.7 | Very low | 150 Ų | 150 | 143.1 Ų | 143.1 | 79% | 0.785 | 76% | 0.764 | S | S | * | * | G | 310 helix | trans | -85.3 | -12.4 | -175.5 | -120.6 | 168 | 0 | 0 | 0 | 114 | E172 | E172-L174 PolarHBondContact O-N 3.48Å; E172-L174 VanDerWaalsContact O-N 3.16Å |
| 175 | Q | 54.1 | Low | 47.3 | Very low | 157 Ų | 157 | 142 Ų | 142 | 73% | 0.734 | 77% | 0.77 | S | S | * | * | S | Bend | trans | -82.8 | -23.2 | -167.8 | -158.7 | 65.5 | 77.3 | 0 | 0 | 114.2 | E172 | E172-Q175 PolarHBondContact O-N 2.58Š|
| 176 | Q | 49.8 | Very low | 48.7 | Very low | 177 Ų | 177 | 140.4 Ų | 140.4 | 83% | 0.827 | 77% | 0.767 | S | S | * | * | G | 310 helix | trans | -84.8 | -13.2 | -168.7 | -66.8 | -165.8 | -7 | 0 | 0 | 115.6 | Y178 | Q176-Y178 VanDerWaalsContact C-N 3.27Å; Q176-Y178 PolarHBondContact O-N 3.48Å |
| 177 | H | 46.1 | Very low | 49.7 | Very low | 179 Ų | 179 | 140.5 Ų | 140.5 | 83% | 0.829 | 77% | 0.767 | S | S | * | * | G | 310 helix | trans | -80.3 | 2.8 | -178 | -87 | -70.4 | 0 | 0 | 0 | 115.4 | | |
| 178 | Y | 45.8 | Very low | 50.6 | Low | 205 Ų | 205 | 138.8 Ų | 138.8 | 80% | 0.804 | 76% | 0.764 | S | S | * | * | G | 310 helix | trans | -111.2 | 12.1 | -173.6 | -100.4 | -73.8 | 0 | 0 | 0 | 115.8 | Q176 | Q176-Y178 VanDerWaalsContact C-N 3.27Å; Q176-Y178 PolarHBondContact O-N 3.48Å |
| 179 | N | 49.4 | Very low | 50.9 | Low | 153 Ų | 153 | 139 Ų | 139 | 82% | 0.818 | 76% | 0.76 | S | S | * | * | | | trans | -144.1 | 87.3 | 170.6 | -118.3 | -107.3 | 0 | 0 | 0 | 112.7 | | |
| 180 | N | 39.4 | Very low | 51.6 | Low | 155 Ų | 155 | 141.3 Ų | 141.3 | 83% | 0.829 | 77% | 0.765 | S | S | * | * | | | trans | -149.3 | 145.1 | 132 | -124.6 | 4.5 | 0 | 0 | 0 | 110.4 | | |
| 181 | K | 46.8 | Very low | 51 | Low | 177 Ų | 177 | 143.2 Ų | 143.2 | 77% | 0.77 | 77% | 0.771 | S | S | * | * | | | trans | -84.9 | 171.8 | 153.2 | -61.3 | 174.4 | -178.6 | 171.8 | 0 | 105.6 | | |
| 182 | E | 42.6 | Very low | 51.4 | Low | 163 Ų | 163 | 141.6 Ų | 141.6 | 76% | 0.762 | 76% | 0.762 | S | S | * | * | | | cis | -157.5 | 154.7 | 49.9 | -91.3 | 118.1 | -128.8 | 0 | 0 | 110.7 | | |
| 183 | D | 50.4 | Low | 51.4 | Low | 157 Ų | 157 | 140.7 Ų | 140.7 | 84% | 0.84 | 76% | 0.762 | S | S | * | * | | | trans | 42 | 156.5 | 151.8 | -73.4 | -110.3 | 0 | 0 | 0 | 125.5 | | |
| 184 | D | 54.2 | Low | 51.8 | Low | 144 Ų | 144 | 141.7 Ų | 141.7 | 77% | 0.77 | 76% | 0.763 | S | S | * | * | | | trans | 57.6 | 92.3 | 165.7 | -156.2 | 16.7 | 0 | 0 | 0 | 120.5 | | |
| 185 | S | 47.3 | Very low | 52.1 | Low | 112 Ų | 112 | 142.3 Ų | 142.3 | 78% | 0.783 | 76% | 0.762 | S | S | * | * | | | trans | -157.5 | 104.1 | 131.7 | -79.7 | 0 | 0 | 0 | 0 | 110.2 | S187 | S185-S187 PolarHBondContact O-N 2.85Š|
| 186 | D | 64 | Low | 52.2 | Low | 142 Ų | 142 | 144.2 Ų | 144.2 | 76% | 0.759 | 76% | 0.763 | S | S | * | * | | | trans | -63.8 | 124.6 | 166 | -177.4 | 13 | 0 | 0 | 0 | 109.9 | | |
| 187 | S | 55.7 | Low | 52.5 | Low | 109 Ų | 109 | 142.6 Ų | 142.6 | 76% | 0.762 | 76% | 0.759 | S | S | * | * | | | trans | -157.6 | 58.2 | 178.2 | -80 | 0 | 0 | 0 | 0 | 111.2 | S185 S189 | S185-S187 PolarHBondContact O-N 2.85Å; S187-S189 PolarHBondContact O-N 2.84Å |
| 188 | A | 64.1 | Low | 53 | Low | 90 Ų | 90 | 139.1 Ų | 139.1 | 74% | 0.744 | 75% | 0.752 | S | S | * | * | | | trans | -65.2 | 99.3 | 170.4 | 0 | 0 | 0 | 0 | 0 | 112 | | |
| 189 | S | 55.8 | Low | 53.2 | Low | 96 Ų | 96 | 135.6 Ų | 135.6 | 67% | 0.671 | 75% | 0.752 | S | S | * | * | | | trans | -157 | 66.5 | 163.8 | -82.2 | 0 | 0 | 0 | 0 | 113 | S187 L191 | S187-S189 PolarHBondContact O-N 2.84Å; S189-L191 PolarHBondContact O-N 2.69Å |
| 190 | D | 58.9 | Low | 53.5 | Low | 175 Ų | 175 | 135 Ų | 135 | 94% | 0.936 | 75% | 0.748 | S | S | * | * | | | trans | -71.9 | 68.6 | 157.9 | -116.9 | -21.9 | 0 | 0 | 0 | 109.3 | S192 | D190-S192 PolarHBondContact O-N 2.8Š|
| 191 | L | 46 | Very low | 54.1 | Low | 143 Ų | 143 | 133 Ų | 133 | 75% | 0.749 | 74% | 0.743 | S | S | * | * | | | trans | -79 | 101.7 | 170.2 | -69.8 | -176.4 | 0 | 0 | 0 | 108.4 | S189 | S189-L191 PolarHBondContact O-N 2.69Š|
| 192 | S | 56.9 | Low | 54.1 | Low | 75 Ų | 75 | 128.4 Ų | 128.4 | 52% | 0.524 | 73% | 0.734 | S | S | . | * | | | trans | -47.3 | 138 | -177 | -179.3 | 0 | 0 | 0 | 0 | 113.4 | D190 S194 E195 | D190-S192 PolarHBondContact O-N 2.8Å; S192-S194 PolarHBondContact O-N 2.89Å; S192-S194 PolarHBondContact OG-N 2.73Å; S192-S194 PolarHBondContact OG-OG 3.37Å; S192-E195 PolarHBondContact O-N 3Å |
| 193 | D | 54.2 | Low | 54.4 | Low | 108 Ų | 108 | 127.2 Ų | 127.2 | 58% | 0.578 | 74% | 0.74 | S | S | * | * | G | 310 helix | trans | -50.9 | -8.5 | 169.3 | -91.2 | -55.1 | 0 | 0 | 0 | 115.3 | E195 R196 | D193-E195 PolarHBondContact O-N 3.02Å; D193-R196 WeakPolarHBondContact O-CB 3.27Å; D193-R196 PolarHBondContact O-N 3.42Å; D193-R196 VanDerWaalsContact OD1-CD 3.24Å; D193-R196 WeakPolarHBondContact OD1-CD 3.2Å; D193-R196 IonicContact OD1-CZ 2.72Å; D193-R196 IonicContact OD1-NE 2.74Å; D193-R196 IonicContact OD1-NH1 2.74Å; D193-R196 PolarHBondContact OD1-NH1 3.48Å |
| 194 | S | 57.1 | Low | 54.1 | Low | 108 Ų | 108 | 125.7 Ų | 125.7 | 76% | 0.755 | 74% | 0.74 | S | S | * | * | G | 310 helix | trans | -62.9 | -19.9 | 177.6 | -54.6 | 0 | 0 | 0 | 0 | 115 | S192 | S192-S194 PolarHBondContact O-N 2.89Å; S192-S194 PolarHBondContact OG-N 2.73Å; S192-S194 PolarHBondContact OG-OG 3.37Å |
| 195 | E | 56.1 | Low | 54 | Low | 163 Ų | 163 | 124 Ų | 124 | 76% | 0.762 | 74% | 0.735 | S | S | * | * | G | 310 helix | trans | -92.6 | -0.8 | 171.8 | 79.6 | 151.9 | -142.2 | 0 | 0 | 114.6 | S192 D193 L197 | S192-E195 PolarHBondContact O-N 3Å; D193-E195 PolarHBondContact O-N 3.02Å; E195-L197 PolarHBondContact O-N 2.95Å |
| 196 | R | 55.3 | Low | 54.2 | Low | 197 Ų | 197 | 123.5 Ų | 123.5 | 74% | 0.743 | 73% | 0.729 | S | S | * | * | | | trans | -70.5 | 80.8 | 165.8 | -70.3 | -168.1 | 170.6 | 141.8 | -5 | 109.2 | D193 | D193-R196 WeakPolarHBondContact O-CB 3.27Å; D193-R196 PolarHBondContact O-N 3.42Å; D193-R196 VanDerWaalsContact OD1-CD 3.24Å; D193-R196 WeakPolarHBondContact OD1-CD 3.2Å; D193-R196 IonicContact OD1-CZ 2.72Å; D193-R196 IonicContact OD1-NE 2.74Å; D193-R196 IonicContact OD1-NH1 2.74Å; D193-R196 PolarHBondContact OD1-NH1 3.48Å |
| 197 | L | 55.7 | Low | 53.7 | Low | 143 Ų | 143 | 123.1 Ų | 123.1 | 75% | 0.749 | 74% | 0.737 | S | S | * | * | | | trans | -41.6 | 136.5 | 162.7 | -64.7 | 173.4 | 0 | 0 | 0 | 108.4 | E195 V199 | E195-L197 PolarHBondContact O-N 2.95Å; L197-V199 PolarHBondContact O-N 3.38Å |
| 198 | P | 57 | Low | 53.7 | Low | 107 Ų | 107 | 122.9 Ų | 122.9 | 70% | 0.695 | 73% | 0.73 | S | S | * | * | | | trans | -54.2 | 122.6 | 168.8 | 25.1 | -33.1 | 0 | 0 | 0 | 106.8 | L200 | P198-L200 VanDerWaalsContact C-N 3.29Å; P198-L200 PolarHBondContact O-N 3.33Å |
| 199 | V | 51 | Low | 53.7 | Low | 131 Ų | 131 | 123.1 Ų | 123.1 | 79% | 0.794 | 73% | 0.725 | S | S | * | * | | | trans | -63.6 | 95.2 | -171.8 | 178.7 | 0 | 0 | 0 | 0 | 108.2 | L197 | L197-V199 PolarHBondContact O-N 3.38Š|
| 200 | L | 55.4 | Low | 54.3 | Low | 139 Ų | 139 | 123.7 Ų | 123.7 | 73% | 0.728 | 73% | 0.726 | S | S | * | * | P | Polyproline II helix | trans | -57.1 | 123.4 | 172.2 | -64.1 | 178.1 | 0 | 0 | 0 | 106 | P198 S202 | P198-L200 VanDerWaalsContact C-N 3.29Å; P198-L200 PolarHBondContact O-N 3.33Å; L200-S202 PolarHBondContact O-N 2.99Å |
| 201 | P | 51.7 | Low | 54.3 | Low | 113 Ų | 113 | 123.3 Ų | 123.3 | 73% | 0.734 | 72% | 0.718 | S | S | * | * | P | Polyproline II helix | trans | -54.9 | 120.7 | -177.1 | 21.3 | -32.3 | 0 | 0 | 0 | 108.1 | | |
| 202 | S | 46.3 | Very low | 55.3 | Low | 81 Ų | 81 | 122.2 Ų | 122.2 | 57% | 0.566 | 71% | 0.712 | S | S | * | * | P | Polyproline II helix | trans | -57.4 | 146.5 | -164.1 | -52.7 | 0 | 0 | 0 | 0 | 111 | L200 C204 T205 | L200-S202 PolarHBondContact O-N 2.99Å; S202-C204 PolarHBondContact O-N 3Å; S202-T205 PolarHBondContact O-N 3.41Å |
| 203 | P | 49.5 | Very low | 55.3 | Low | 138 Ų | 138 | 123.8 Ų | 123.8 | 90% | 0.896 | 72% | 0.715 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -73.4 | 31.8 | -171.5 | 32.3 | -38.4 | 0 | 0 | 0 | 114 | | |
| 204 | C | 45 | Very low | 55.8 | Low | 125 Ų | 125 | 126.1 Ų | 126.1 | 85% | 0.845 | 73% | 0.726 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -115.7 | 4.1 | 179.2 | -135.5 | 0 | 0 | 0 | 0 | 113.1 | S202 | S202-C204 PolarHBondContact O-N 3Š|
| 205 | T | 51.3 | Low | 56.3 | Low | 109 Ų | 109 | 129.5 Ų | 129.5 | 67% | 0.669 | 72% | 0.723 | S | S | * | * | S | Bend | trans | -85.7 | 128.7 | 145.6 | 47.9 | 0 | 0 | 0 | 0 | 107.3 | S202 C207 | S202-T205 PolarHBondContact O-N 3.41Å; T205-C207 PolarHBondContact O-N 2.85Å |
| 206 | P | 50.2 | Low | 56.8 | Low | 101 Ų | 101 | 126.5 Ų | 126.5 | 66% | 0.656 | 73% | 0.726 | S | S | * | * | | | trans | -65.2 | 137.8 | 172.4 | 28.4 | -33.3 | 0 | 0 | 0 | 108.3 | T208 | P206-T208 PolarHBondContact O-N 2.86Š|
| 207 | C | 55.3 | Low | 57.3 | Low | 135 Ų | 135 | 123.7 Ų | 123.7 | 91% | 0.912 | 72% | 0.721 | S | S | * | * | | | trans | -73.3 | 59.4 | 169.1 | -166 | 0 | 0 | 0 | 0 | 110 | T205 P209 | T205-C207 PolarHBondContact O-N 2.85Å; C207-P209 VanDerWaalsContact O-CD 3.29Å; C207-P209 WeakPolarHBondContact O-CD 3.24Å |
| 208 | T | 54.4 | Low | 57.9 | Low | 103 Ų | 103 | 124.8 Ų | 124.8 | 63% | 0.632 | 73% | 0.726 | S | S | * | * | | | trans | -81.5 | 107.2 | 167.3 | -52.6 | 0 | 0 | 0 | 0 | 105 | P206 | P206-T208 PolarHBondContact O-N 2.86Š|
| 209 | P | 64.4 | Low | 58.3 | Low | 96 Ų | 96 | 125.1 Ų | 125.1 | 62% | 0.623 | 72% | 0.721 | S | S | * | * | | | trans | -55.7 | 147 | 168.6 | 26.5 | -34.1 | 0 | 0 | 0 | 108.3 | C207 H211 | C207-P209 VanDerWaalsContact O-CD 3.29Å; C207-P209 WeakPolarHBondContact O-CD 3.24Å; P209-H211 PolarHBondContact O-N 3.16Å |
| 210 | P | 69.3 | Low | 58.8 | Low | 107 Ų | 107 | 122 Ų | 122 | 70% | 0.695 | 70% | 0.7 | S | S | * | * | | | trans | -51.1 | 136.2 | -179.7 | 22.7 | -33.9 | 0 | 0 | 0 | 109.3 | L212 | P210-L212 PolarHBondContact O-N 3.5Š|
| 211 | H | 58.9 | Low | 59.2 | Low | 167 Ų | 167 | 120.7 Ų | 120.7 | 77% | 0.773 | 70% | 0.698 | S | S | * | * | | | trans | -67.9 | 87.5 | -175.3 | -169.3 | 170 | 0 | 0 | 0 | 109.1 | P209 N213 | P209-H211 PolarHBondContact O-N 3.16Å; H211-N213 PolarHBondContact O-N 3.27Å |
| 212 | L | 67.3 | Low | 59.7 | Low | 121 Ų | 121 | 121.4 Ų | 121.4 | 63% | 0.634 | 70% | 0.695 | S | S | * | * | | | trans | -61.5 | 110 | 175 | -61.2 | -176.9 | 0 | 0 | 0 | 107.1 | P210 L214 | P210-L212 PolarHBondContact O-N 3.5Å; L212-L214 HydrophobicContact CB-CD2 4.21Å; L212-L214 HydrophobicContact CB-CG 4.2Å; L212-L214 PolarHBondContact O-N 2.97Å |
| 213 | N | 56.8 | Low | 60.5 | Low | 107 Ų | 107 | 123.3 Ų | 123.3 | 57% | 0.572 | 70% | 0.699 | S | S | * | * | | | trans | -68.4 | 80.4 | 169.3 | -81.1 | -59.9 | 0 | 0 | 0 | 107.8 | H211 R215 | H211-N213 PolarHBondContact O-N 3.27Å; N213-R215 PolarHBondContact O-N 3.48Å |
| 214 | L | 63.9 | Low | 61 | Low | 157 Ų | 157 | 123 Ų | 123 | 82% | 0.822 | 68% | 0.684 | S | S | * | * | | | trans | -70.9 | 63.8 | 172.1 | -62.6 | -179.6 | 0 | 0 | 0 | 109.9 | L212 | L212-L214 HydrophobicContact CB-CD2 4.21Å; L212-L214 HydrophobicContact CB-CG 4.2Å; L212-L214 PolarHBondContact O-N 2.97Å |
| 215 | R | 67.3 | Low | 61.7 | Low | 179 Ų | 179 | 123.7 Ų | 123.7 | 68% | 0.675 | 68% | 0.678 | S | S | * | * | | | trans | -59.6 | 151.6 | 153.6 | -72.3 | -174.4 | 167.9 | 89.4 | 5.1 | 107.4 | N213 E217 | N213-R215 PolarHBondContact O-N 3.48Å; R215-E217 HydrophobicContact CB-CG 4.13Å; R215-E217 PolarHBondContact O-N 3.32Å |
| 216 | A | 67.5 | Low | 62 | Low | 100 Ų | 100 | 124.6 Ų | 124.6 | 83% | 0.826 | 69% | 0.686 | S | S | * | * | | | trans | -74 | 65.8 | 163.8 | 0 | 0 | 0 | 0 | 0 | 108.7 | I218 | A216-I218 PolarHBondContact O-N 3.17Š|
| 217 | E | 65.9 | Low | 62.1 | Low | 139 Ų | 139 | 125.1 Ų | 125.1 | 65% | 0.65 | 68% | 0.683 | S | S | * | * | | | trans | -59.1 | 118.7 | 164 | -74.4 | 169.4 | -159.2 | 0 | 0 | 106.3 | R215 I219 | R215-E217 HydrophobicContact CB-CG 4.13Å; R215-E217 PolarHBondContact O-N 3.32Å; E217-I219 PolarHBondContact O-N 3.46Å |
| 218 | I | 66.5 | Low | 61.8 | Low | 165 Ų | 165 | 125.8 Ų | 125.8 | 85% | 0.846 | 68% | 0.676 | S | S | * | * | | | trans | -73.6 | 87.7 | -179.9 | -61.6 | 163.9 | 0 | 0 | 0 | 105.6 | A216 N220 | A216-I218 PolarHBondContact O-N 3.17Å; I218-N220 PolarHBondContact O-N 3.28Å |
| 219 | I | 65.9 | Low | 61.7 | Low | 114 Ų | 114 | 125 Ų | 125 | 59% | 0.585 | 67% | 0.673 | S | S | * | * | | | trans | -63.1 | 105.7 | 178.6 | -47.7 | 178.1 | 0 | 0 | 0 | 106.7 | E217 T221 F224 | E217-I219 PolarHBondContact O-N 3.46Å; I219-T221 PolarHBondContact O-N 2.8Å; I219-F224 HydrophobicContact CG2-CD2 4.46Å; I219-F224 HydrophobicContact CG2-CE2 3.48Å; I219-F224 VanDerWaalsContact CG2-CE2 3.48Å; I219-F224 HydrophobicContact CG2-CZ 3.67Å |
| 220 | N | 62.8 | Low | 60.9 | Low | 66 Ų | 66 | 122.1 Ų | 122.1 | 35% | 0.353 | 66% | 0.661 | S | S | . | * | | | trans | -62.1 | 119.7 | 177.4 | 173.4 | 28.7 | 0 | 0 | 0 | 107.7 | I218 N222 D223 | I218-N220 PolarHBondContact O-N 3.28Å; N220-N222 PolarHBondContact O-N 3.47Å; N220-N222 PolarHBondContact OD1-N 3.18Å; N220-N222 PolarHBondContact OD1-ND2 3.48Å; N220-D223 PolarHBondContact ND2-OD1 3.09Å; N220-D223 WeakPolarHBondContact O-CB 3.44Å; N220-D223 PolarHBondContact O-N 3.04Å |
| 221 | T | 63.2 | Low | 59.9 | Low | 112 Ų | 112 | 123.7 Ų | 123.7 | 69% | 0.687 | 67% | 0.671 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -63.3 | -13.7 | -177.4 | 39.6 | 0 | 0 | 0 | 0 | 113.2 | I219 | I219-T221 PolarHBondContact O-N 2.8Š|
| 222 | N | 62.1 | Low | 59.2 | Low | 128 Ų | 128 | 124 Ų | 124 | 68% | 0.684 | 67% | 0.673 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -84 | -10.8 | 174.1 | -51.3 | -75.7 | 0 | 0 | 0 | 113.8 | N220 F224 | N220-N222 PolarHBondContact O-N 3.47Å; N220-N222 PolarHBondContact OD1-N 3.18Å; N220-N222 PolarHBondContact OD1-ND2 3.48Å; N222-F224 VanDerWaalsContact C-N 3.26Å |
| 223 | D | 63.6 | Low | 58.1 | Low | 121 Ų | 121 | 121.5 Ų | 121.5 | 65% | 0.647 | 68% | 0.676 | S | S | * | * | S | Bend | trans | -79.5 | -13.2 | 175.1 | -62.3 | -5.8 | 0 | 0 | 0 | 111.7 | N220 | N220-D223 PolarHBondContact ND2-OD1 3.09Å; N220-D223 WeakPolarHBondContact O-CB 3.44Å; N220-D223 PolarHBondContact O-N 3.04Å |
| 224 | F | 58.3 | Low | 57.5 | Low | 131 Ų | 131 | 124.8 Ų | 124.8 | 58% | 0.575 | 69% | 0.69 | S | S | * | * | S | Bend | trans | -85.6 | 133.5 | 168.4 | -63.4 | -71 | 0 | 0 | 0 | 110.3 | I219 N222 | I219-F224 HydrophobicContact CG2-CD2 4.46Å; I219-F224 HydrophobicContact CG2-CE2 3.48Å; I219-F224 VanDerWaalsContact CG2-CE2 3.48Å; I219-F224 HydrophobicContact CG2-CZ 3.67Å; N222-F224 VanDerWaalsContact C-N 3.26Å |
| 225 | L | 60.4 | Low | 56.4 | Low | 139 Ų | 139 | 122.3 Ų | 122.3 | 73% | 0.728 | 69% | 0.692 | S | S | * | * | | | trans | -59.7 | 129.6 | 166.5 | -126.8 | 75.8 | 0 | 0 | 0 | 108.8 | D227 | L225-D227 PolarHBondContact O-N 3.01Š|
| 226 | P | 57.6 | Low | 55.2 | Low | 129 Ų | 129 | 117.6 Ų | 117.6 | 84% | 0.838 | 70% | 0.699 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -69.3 | -1.8 | -176.4 | 27.9 | -35.8 | 0 | 0 | 0 | 114.3 | I228 | P226-I228 VanDerWaalsContact C-N 3.33Å; P226-I228 PolarHBondContact O-N 2.9Å |
| 227 | D | 53.4 | Low | 53.7 | Low | 111 Ų | 111 | 120.4 Ų | 120.4 | 59% | 0.594 | 70% | 0.701 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -85.1 | 1.4 | -168.6 | -134.5 | 15.3 | 0 | 0 | 0 | 114.3 | L225 | L225-D227 PolarHBondContact O-N 3.01Š|
| 228 | I | 48.3 | Very low | 52.9 | Low | 149 Ų | 149 | 123 Ų | 123 | 76% | 0.764 | 71% | 0.713 | S | S | * | * | S | Bend | trans | -125.3 | 89.4 | 173.8 | -52.2 | -179.8 | 0 | 0 | 0 | 109.7 | P226 G230 | P226-I228 VanDerWaalsContact C-N 3.33Å; P226-I228 PolarHBondContact O-N 2.9Å; I228-G230 PolarHBondContact O-N 2.82Å |
| 229 | P | 52.4 | Low | 51.8 | Low | 86 Ų | 86 | 122.6 Ų | 122.6 | 56% | 0.558 | 71% | 0.707 | S | S | * | * | | | trans | -63.1 | 104 | 173.6 | -22.6 | 34.5 | 0 | 0 | 0 | 111.2 | Y246 | P229-Y246 HydrophobicContact CG-CD2 4.44Š|
| 230 | G | 47.5 | Very low | 51 | Low | 36 Ų | 36 | 127.1 Ų | 127.1 | 37% | 0.371 | 73% | 0.726 | S | S | . | * | | | trans | -68 | 171.2 | 170.3 | 0 | 0 | 0 | 0 | 0 | 112.1 | I228 H232 | I228-G230 PolarHBondContact O-N 2.82Å; G230-H232 PolarHBondContact O-CD2 3.37Å; G230-H232 PolarHBondContact O-N 3.08Å |
| 231 | P | 47.9 | Very low | 50.1 | Low | 140 Ų | 140 | 127.6 Ų | 127.6 | 91% | 0.909 | 73% | 0.734 | S | S | * | * | | | trans | -71.7 | 76.7 | 171.9 | 30.7 | -34.5 | 0 | 0 | 0 | 110.6 | G233 | P231-G233 PolarHBondContact O-N 2.71Š|
| 232 | H | 45.3 | Very low | 49.4 | Very low | 174 Ų | 174 | 131.2 Ų | 131.2 | 81% | 0.806 | 74% | 0.743 | S | S | * | * | | | trans | -67.6 | 100.1 | 179.8 | -77.1 | -86.5 | 0 | 0 | 0 | 111.1 | G230 | G230-H232 PolarHBondContact O-CD2 3.37Å; G230-H232 PolarHBondContact O-N 3.08Å |
| 233 | G | 42.8 | Very low | 48.5 | Very low | 69 Ų | 69 | 134.1 Ų | 134.1 | 71% | 0.711 | 75% | 0.75 | S | S | * | * | | | trans | -88.5 | 121.2 | 175.1 | 0 | 0 | 0 | 0 | 0 | 112.8 | P231 | P231-G233 PolarHBondContact O-N 2.71Š|
| 234 | M | 45.2 | Very low | 47.7 | Very low | 175 Ų | 175 | 133.8 Ų | 133.8 | 86% | 0.862 | 76% | 0.755 | S | S | * | * | S | Bend | trans | 54.1 | 60.7 | 155.9 | -61.8 | 179 | 64.7 | 0 | 0 | 117.1 | | |
| 235 | A | 39.4 | Very low | 47.4 | Very low | 105 Ų | 105 | 131.4 Ų | 131.4 | 87% | 0.868 | 76% | 0.759 | S | S | * | * | | | trans | -150 | 139.4 | 141.3 | 0 | 0 | 0 | 0 | 0 | 107.5 | | |
| 236 | G | 42.6 | Very low | 46.9 | Very low | 80 Ų | 80 | 130.5 Ų | 130.5 | 83% | 0.825 | 75% | 0.747 | S | S | * | * | | | cis | 160.5 | 40.6 | 1.1 | 0 | 0 | 0 | 0 | 0 | 113.5 | | |
| 237 | D | 35.8 | Very low | 46.8 | Very low | 160 Ų | 160 | 130.6 Ų | 130.6 | 86% | 0.856 | 75% | 0.745 | S | S | * | * | | | trans | -150.1 | 158.8 | 167 | -147.8 | -20 | 0 | 0 | 0 | 110.1 | | |
| 238 | E | 49.7 | Very low | 46.9 | Very low | 194 Ų | 194 | 132.6 Ų | 132.6 | 91% | 0.907 | 75% | 0.746 | S | S | * | * | | | trans | -105 | 80.6 | -174.4 | -66.8 | -107 | 116.8 | 0 | 0 | 110.9 | | |
| 239 | E | 42.8 | Very low | 47.6 | Very low | 155 Ų | 155 | 129.9 Ų | 129.9 | 72% | 0.724 | 74% | 0.74 | S | S | * | * | | | trans | -121 | 116.6 | 161.4 | -154 | -170.3 | 137.7 | 0 | 0 | 111 | S241 | E239-S241 PolarHBondContact O-N 2.97Å; E239-S241 WeakPolarHBondContact OE1-CB 3.42Å; E239-S241 PolarHBondContact OE1-OG 3.44Å |
| 240 | E | 50.2 | Low | 48.4 | Very low | 210 Ų | 210 | 129.7 Ų | 129.7 | 98% | 0.981 | 73% | 0.734 | S | S | * | * | | | trans | -78 | 48.1 | 173.5 | -160.6 | 177 | 153.9 | 0 | 0 | 111.2 | E242 | E240-E242 PolarHBondContact O-N 2.91Š|
| 241 | S | 42.9 | Very low | 49.8 | Very low | 75 Ų | 75 | 132.9 Ų | 132.9 | 52% | 0.524 | 74% | 0.738 | S | S | . | * | | | trans | -86.9 | 109.6 | -178.5 | -123.6 | 0 | 0 | 0 | 0 | 111.1 | E239 K243 | E239-S241 PolarHBondContact O-N 2.97Å; E239-S241 WeakPolarHBondContact OE1-CB 3.42Å; E239-S241 PolarHBondContact OE1-OG 3.44Å; S241-K243 VanDerWaalsContact C-N 3.33Å; S241-K243 PolarHBondContact O-N 2.99Å |
| 242 | E | 50.1 | Low | 51.4 | Low | 188 Ų | 188 | 126.5 Ų | 126.5 | 88% | 0.879 | 70% | 0.696 | S | S | * | * | | | trans | 11.3 | 69 | 168.6 | -164.8 | 168.2 | -152.4 | 0 | 0 | 115.5 | E240 P244 | E240-E242 PolarHBondContact O-N 2.91Å; E242-P244 WeakPolarHBondContact O-CD 3.14Å |
| 243 | K | 42.3 | Very low | 53.1 | Low | 189 Ų | 189 | 121.3 Ų | 121.3 | 82% | 0.822 | 68% | 0.678 | S | S | * | * | | | trans | -49.8 | 107.1 | -176 | -178.1 | 176.5 | -169.6 | 165.3 | 0 | 109.8 | S241 A245 | S241-K243 VanDerWaalsContact C-N 3.33Å; S241-K243 PolarHBondContact O-N 2.99Å; K243-A245 PolarHBondContact O-N 3.36Å |
| 244 | P | 46.1 | Very low | 54.9 | Low | 115 Ų | 115 | 123.1 Ų | 123.1 | 75% | 0.747 | 68% | 0.677 | S | S | * | * | | | trans | -68.1 | 105.4 | -173.3 | 25.6 | -32.5 | 0 | 0 | 0 | 107.4 | E242 Y246 | E242-P244 WeakPolarHBondContact O-CD 3.14Å; P244-Y246 PolarHBondContact O-N 2.75Å |
| 245 | A | 53.1 | Low | 56.6 | Low | 81 Ų | 81 | 119.3 Ų | 119.3 | 67% | 0.669 | 67% | 0.665 | S | S | * | * | | | trans | -64.5 | 94.8 | 169.7 | 0 | 0 | 0 | 0 | 0 | 105.8 | K243 T247 | K243-A245 PolarHBondContact O-N 3.36Å; A245-T247 VanDerWaalsContact C-N 3.27Å; A245-T247 WeakPolarHBondContact O-CA 3.16Å; A245-T247 PolarHBondContact O-N 2.92Å; A245-T247 PolarHBondContact O-OG1 2.82Å |
| 246 | Y | 49.2 | Very low | 58.4 | Low | 119 Ų | 119 | 117.1 Ų | 117.1 | 47% | 0.467 | 64% | 0.636 | S | S | . | * | | | trans | -55.2 | 92.1 | -173.3 | 178.1 | -100.5 | 0 | 0 | 0 | 109 | P229 P244 Y248 | P229-Y246 HydrophobicContact CG-CD2 4.44Å; P244-Y246 PolarHBondContact O-N 2.75Å; Y246-Y248 HydrophobicContact CD1-CD1 4.38Å; Y246-Y248 HydrophobicContact CD1-CG 4.13Å; Y246-Y248 AromaticContact CE1-CD1 3.35Å; Y246-Y248 HydrophobicContact CE1-CD1 3.35Å; Y246-Y248 AromaticContact CE1-CD2 3.92Å; Y246-Y248 HydrophobicContact CE1-CD2 3.92Å; Y246-Y248 AromaticContact CE1-CE1 3.78Å; Y246-Y248 HydrophobicContact CE1-CE1 3.78Å; Y246-Y248 HydrophobicContact CE1-CE2 4.32Å; Y246-Y248 AromaticContact CE1-CG 3.45Å; Y246-Y248 HydrophobicContact CE1-CG 3.45Å; Y246-Y248 VanDerWaalsContact CE1-CG 3.45Å; Y246-Y248 AromaticContact CZ-CD1 3.68Å; Y246-Y248 AromaticContact CZ-CE1 3.91Å; Y246-Y248 PolarHBondContact O-N 2.98Å; Y246-Y248 WeakPolarHBondContact OH-CD1 3.5Å; Y246-Y248 WeakPolarHBondContact OH-CE1 3.36Å |
| 247 | T | 55.9 | Low | 60.2 | Low | 132 Ų | 132 | 116.3 Ų | 116.3 | 81% | 0.81 | 61% | 0.613 | S | S | * | * | | | trans | -85.7 | 77.9 | -169.7 | -64.1 | 0 | 0 | 0 | 0 | 105.6 | A245 S249 | A245-T247 VanDerWaalsContact C-N 3.27Å; A245-T247 WeakPolarHBondContact O-CA 3.16Å; A245-T247 PolarHBondContact O-N 2.92Å; A245-T247 PolarHBondContact O-OG1 2.82Å; T247-S249 PolarHBondContact O-N 3.41Å |
| 248 | Y | 55.5 | Low | 62.4 | Low | 153 Ų | 153 | 113.6 Ų | 113.6 | 60% | 0.6 | 61% | 0.605 | S | S | * | * | | | trans | -54.7 | 132.2 | -171.2 | -149.5 | 1.2 | 0 | 0 | 0 | 109 | Y246 F251 | Y246-Y248 HydrophobicContact CD1-CD1 4.38Å; Y246-Y248 HydrophobicContact CD1-CG 4.13Å; Y246-Y248 AromaticContact CE1-CD1 3.35Å; Y246-Y248 HydrophobicContact CE1-CD1 3.35Å; Y246-Y248 AromaticContact CE1-CD2 3.92Å; Y246-Y248 HydrophobicContact CE1-CD2 3.92Å; Y246-Y248 AromaticContact CE1-CE1 3.78Å; Y246-Y248 HydrophobicContact CE1-CE1 3.78Å; Y246-Y248 HydrophobicContact CE1-CE2 4.32Å; Y246-Y248 AromaticContact CE1-CG 3.45Å; Y246-Y248 HydrophobicContact CE1-CG 3.45Å; Y246-Y248 VanDerWaalsContact CE1-CG 3.45Å; Y246-Y248 AromaticContact CZ-CD1 3.68Å; Y246-Y248 AromaticContact CZ-CE1 3.91Å; Y246-Y248 PolarHBondContact O-N 2.98Å; Y246-Y248 WeakPolarHBondContact OH-CD1 3.5Å; Y246-Y248 WeakPolarHBondContact OH-CE1 3.36Å; Y248-F251 AromaticContact CD1-CE2 3.71Å; Y248-F251 HydrophobicContact CD1-CE2 3.71Å; Y248-F251 AromaticContact CD1-CZ 3.51Å; Y248-F251 HydrophobicContact CD1-CZ 3.51Å; Y248-F251 AromaticContact CD2-CE2 3.65Å; Y248-F251 HydrophobicContact CD2-CE2 3.65Å; Y248-F251 HydrophobicContact CD2-CZ 4.2Å; Y248-F251 AromaticContact CE1-CE2 3.88Å; Y248-F251 HydrophobicContact CE1-CE2 3.88Å; Y248-F251 AromaticContact CE1-CZ 3.39Å; Y248-F251 HydrophobicContact CE1-CZ 3.39Å; Y248-F251 AromaticContact CE2-CE2 3.8Å; Y248-F251 HydrophobicContact CE2-CE2 3.8Å; Y248-F251 HydrophobicContact CE2-CZ 4.08Å; Y248-F251 AromaticContact CG-CE2 3.58Å; Y248-F251 HydrophobicContact CG-CE2 3.58Å; Y248-F251 AromaticContact CG-CZ 3.92Å; Y248-F251 HydrophobicContact CG-CZ 3.92Å; Y248-F251 AromaticContact CZ-CE2 3.89Å; Y248-F251 AromaticContact CZ-CZ 3.66Å |
| 249 | S | 63.2 | Low | 64.2 | Low | 92 Ų | 92 | 109.9 Ų | 109.9 | 64% | 0.643 | 58% | 0.583 | S | S | * | * | | | trans | -52.8 | 149.8 | -176.9 | -69.5 | 0 | 0 | 0 | 0 | 111.6 | T247 F251 | T247-S249 PolarHBondContact O-N 3.41Å; S249-F251 WeakPolarHBondContact O-CD2 3.11Å; S249-F251 WeakPolarHBondContact O-CE2 3.47Å; S249-F251 WeakPolarHBondContact O-CG 3.04Å; S249-F251 WeakPolarHBondContact O-CZ 3.29Å; S249-F251 PolarHBondContact O-N 3.21Å |
| 250 | D | 68 | Low | 66.4 | Low | 82 Ų | 82 | 105 Ų | 105 | 44% | 0.439 | 57% | 0.566 | S | S | . | * | | | trans | -72.1 | 104.4 | -158.2 | -147.5 | -37 | 0 | 0 | 0 | 114 | L252 N257 | D250-L252 PolarHBondContact O-N 2.88Å; D250-L252 PolarHBondContact OD1-N 3.11Å; D250-N257 HydrophobicContact CB-CB 4.27Å; D250-N257 VanDerWaalsContact CG-CA 3.48Å; D250-N257 VanDerWaalsContact OD1-CA 3.24Å; D250-N257 WeakPolarHBondContact OD1-CA 3.44Å; D250-N257 VanDerWaalsContact OD2-CA 3.27Å; D250-N257 WeakPolarHBondContact OD2-CA 3.2Å; D250-N257 WeakPolarHBondContact OD2-CB 3.37Å; D250-N257 PolarHBondContact OD2-ND2 3.38Å |
| 251 | F | 77.6 | Confident | 68.4 | Low | 103 Ų | 103 | 96.8 Ų | 96.8 | 45% | 0.452 | 53% | 0.529 | S | S | . | . | | | trans | -42.9 | -26 | 171.1 | 33.9 | -132.1 | 0 | 0 | 0 | 116.4 | Y248 S249 | Y248-F251 AromaticContact CD1-CE2 3.71Å; Y248-F251 HydrophobicContact CD1-CE2 3.71Å; Y248-F251 AromaticContact CD1-CZ 3.51Å; Y248-F251 HydrophobicContact CD1-CZ 3.51Å; Y248-F251 AromaticContact CD2-CE2 3.65Å; Y248-F251 HydrophobicContact CD2-CE2 3.65Å; Y248-F251 HydrophobicContact CD2-CZ 4.2Å; Y248-F251 AromaticContact CE1-CE2 3.88Å; Y248-F251 HydrophobicContact CE1-CE2 3.88Å; Y248-F251 AromaticContact CE1-CZ 3.39Å; Y248-F251 HydrophobicContact CE1-CZ 3.39Å; Y248-F251 AromaticContact CE2-CE2 3.8Å; Y248-F251 HydrophobicContact CE2-CE2 3.8Å; Y248-F251 HydrophobicContact CE2-CZ 4.08Å; Y248-F251 AromaticContact CG-CE2 3.58Å; Y248-F251 HydrophobicContact CG-CE2 3.58Å; Y248-F251 AromaticContact CG-CZ 3.92Å; Y248-F251 HydrophobicContact CG-CZ 3.92Å; Y248-F251 AromaticContact CZ-CE2 3.89Å; Y248-F251 AromaticContact CZ-CZ 3.66Å; S249-F251 WeakPolarHBondContact O-CD2 3.11Å; S249-F251 WeakPolarHBondContact O-CE2 3.47Å; S249-F251 WeakPolarHBondContact O-CG 3.04Å; S249-F251 WeakPolarHBondContact O-CZ 3.29Å; S249-F251 PolarHBondContact O-N 3.21Å |
| 252 | L | 81.6 | Confident | 70.6 | Confident | 6 Ų | 6 | 98.5 Ų | 98.5 | 3% | 0.031 | 52% | 0.524 | C | S | . | . | S | Bend | trans | -117.7 | 130.9 | -164.3 | -54.1 | -178.3 | 0 | 0 | 0 | 110.9 | D250 F256 N257 W259 L261 Y287 L288 L291 | D250-L252 PolarHBondContact O-N 2.88Å; D250-L252 PolarHBondContact OD1-N 3.11Å; L252-F256 HydrophobicContact CB-CB 3.81Å; L252-F256 HydrophobicContact CD1-CB 4.32Å; L252-F256 VanDerWaalsContact CD1-O 3.29Å; L252-F256 WeakPolarHBondContact CD1-O 3.2Å; L252-N257 WeakPolarHBondContact O-CB 3.45Å; L252-W259 HydrophobicContact CD1-CB 4.15Å; L252-L261 HydrophobicContact CD1-CD2 4.09Å; L252-L261 HydrophobicContact CD1-CG 4.33Å; L252-Y287 HydrophobicContact CD2-CE1 4.26Å; L252-L288 HydrophobicContact CD1-CD2 3.99Å; L252-L288 HydrophobicContact CD2-CD2 3.51Å; L252-L288 HydrophobicContact CG-CD2 4.36Å; L252-L291 HydrophobicContact CD2-CD1 3.49Å; L252-L291 VanDerWaalsContact CD2-CD1 3.49Å |
| 253 | P | 80.2 | Confident | 72.5 | Confident | 65 Ų | 65 | 96.3 Ų | 96.3 | 42% | 0.422 | 51% | 0.514 | S | S | . | . | | | trans | -61.6 | 139.7 | 176.9 | 26.2 | -33.6 | 0 | 0 | 0 | 109.7 | F256 L284 | P253-F256 HydrophobicContact CG-CD2 4.47Å; P253-F256 WeakPolarHBondContact O-CB 3.48Å; P253-F256 WeakPolarHBondContact O-CD2 3.33Å; P253-F256 PolarHBondContact O-N 3.41Å; P253-L284 HydrophobicContact CG-CD1 4.01Å |
| 254 | P | 81.8 | Confident | 74.8 | Confident | 107 Ų | 107 | 89.8 Ų | 89.8 | 70% | 0.695 | 49% | 0.487 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -51.6 | 135.9 | 173.6 | -28.1 | 35.6 | 0 | 0 | 0 | 111.3 | N257 | P254-N257 HydrophobicContact CG-CB 4.49Š|
| 255 | P | 79.9 | Confident | 76.9 | Confident | 94 Ų | 94 | 84.3 Ų | 84.3 | 61% | 0.61 | 45% | 0.452 | S | S | * | . | T | Hydrogen-bonded Turn | cis | -92.9 | 3.2 | 10.5 | 38.5 | -37.8 | 0 | 0 | 0 | 114.9 | N257 | P255-N257 PolarHBondContact O-N 3.08Š|
| 256 | F | 78.1 | Confident | 78.8 | Confident | 60 Ų | 60 | 83 Ų | 83 | 26% | 0.263 | 44% | 0.436 | S | S | . | . | G | 310 helix | trans | -70.3 | -12.4 | -175.9 | -58.8 | -73.9 | 0 | 0 | 0 | 113.3 | L252 P253 C258 W259 L284 | L252-F256 HydrophobicContact CB-CB 3.81Å; L252-F256 HydrophobicContact CD1-CB 4.32Å; L252-F256 VanDerWaalsContact CD1-O 3.29Å; L252-F256 WeakPolarHBondContact CD1-O 3.2Å; P253-F256 HydrophobicContact CG-CD2 4.47Å; P253-F256 WeakPolarHBondContact O-CB 3.48Å; P253-F256 WeakPolarHBondContact O-CD2 3.33Å; P253-F256 PolarHBondContact O-N 3.41Å; F256-C258 VanDerWaalsContact C-N 3.27Å; F256-C258 PolarHBondContact O-N 3.43Å; F256-W259 HydrophobicContact CD1-CD2 4.18Å; F256-W259 AromaticContact CD1-CE2 3.94Å; F256-W259 HydrophobicContact CD1-CE3 4.05Å; F256-W259 AromaticContact CD1-CH2 3.53Å; F256-W259 HydrophobicContact CD1-CH2 3.53Å; F256-W259 AromaticContact CD1-CZ2 3.63Å; F256-W259 HydrophobicContact CD1-CZ2 3.63Å; F256-W259 AromaticContact CD1-CZ3 3.73Å; F256-W259 HydrophobicContact CD1-CZ3 3.73Å; F256-W259 AromaticContact CE1-CH2 3.7Å; F256-W259 HydrophobicContact CE1-CH2 3.7Å; F256-W259 AromaticContact CE1-CZ2 3.93Å; F256-W259 HydrophobicContact CE1-CZ2 3.93Å; F256-W259 HydrophobicContact CE1-CZ3 4.24Å; F256-W259 WeakPolarHBondContact O-CB 3.13Å; F256-W259 PolarHBondContact O-N 2.95Å; F256-L284 HydrophobicContact CD2-CD2 4.17Å; F256-L284 HydrophobicContact CE2-CD2 3.76Å; F256-L284 HydrophobicContact CZ-CD2 4.44Å |
| 257 | N | 80.9 | Confident | 80.8 | Confident | 63 Ų | 63 | 82.3 Ų | 82.3 | 34% | 0.337 | 44% | 0.435 | S | S | . | . | G | 310 helix | trans | -54.7 | -39 | -178.2 | 95.2 | -93.1 | 0 | 0 | 0 | 112.3 | D250 L252 P254 P255 W259 | D250-N257 HydrophobicContact CB-CB 4.27Å; D250-N257 VanDerWaalsContact CG-CA 3.48Å; D250-N257 VanDerWaalsContact OD1-CA 3.24Å; D250-N257 WeakPolarHBondContact OD1-CA 3.44Å; D250-N257 VanDerWaalsContact OD2-CA 3.27Å; D250-N257 WeakPolarHBondContact OD2-CA 3.2Å; D250-N257 WeakPolarHBondContact OD2-CB 3.37Å; D250-N257 PolarHBondContact OD2-ND2 3.38Å; L252-N257 WeakPolarHBondContact O-CB 3.45Å; P254-N257 HydrophobicContact CG-CB 4.49Å; P255-N257 PolarHBondContact O-N 3.08Å; N257-W259 PolarHBondContact O-N 3.37Å |
| 258 | C | 82.1 | Confident | 82.3 | Confident | 102 Ų | 102 | 77.4 Ų | 77.4 | 69% | 0.689 | 40% | 0.404 | S | S | * | . | G | 310 helix | trans | -72 | 8.7 | 177.9 | 74 | 0 | 0 | 0 | 0 | 115.3 | F256 | F256-C258 VanDerWaalsContact C-N 3.27Å; F256-C258 PolarHBondContact O-N 3.43Å |
| 259 | W | 87.2 | Confident | 83.7 | Confident | 116 Ų | 116 | 72.6 Ų | 72.6 | 44% | 0.439 | 39% | 0.386 | S | S | . | . | | | trans | -94.4 | 114.8 | -177.3 | -69.4 | 9.3 | 0 | 0 | 0 | 112.5 | L252 F256 N257 L261 L264 | L252-W259 HydrophobicContact CD1-CB 4.15Å; F256-W259 HydrophobicContact CD1-CD2 4.18Å; F256-W259 AromaticContact CD1-CE2 3.94Å; F256-W259 HydrophobicContact CD1-CE3 4.05Å; F256-W259 AromaticContact CD1-CH2 3.53Å; F256-W259 HydrophobicContact CD1-CH2 3.53Å; F256-W259 AromaticContact CD1-CZ2 3.63Å; F256-W259 HydrophobicContact CD1-CZ2 3.63Å; F256-W259 AromaticContact CD1-CZ3 3.73Å; F256-W259 HydrophobicContact CD1-CZ3 3.73Å; F256-W259 AromaticContact CE1-CH2 3.7Å; F256-W259 HydrophobicContact CE1-CH2 3.7Å; F256-W259 AromaticContact CE1-CZ2 3.93Å; F256-W259 HydrophobicContact CE1-CZ2 3.93Å; F256-W259 HydrophobicContact CE1-CZ3 4.24Å; F256-W259 WeakPolarHBondContact O-CB 3.13Å; F256-W259 PolarHBondContact O-N 2.95Å; N257-W259 PolarHBondContact O-N 3.37Å; W259-L261 PolarHBondContact O-N 3.43Å; W259-L264 HydrophobicContact CB-CD1 3.91Å; W259-L264 HydrophobicContact CD2-CD1 4.1Å; W259-L264 HydrophobicContact CE3-CD1 3.68Å; W259-L264 HydrophobicContact CG-CD1 4.25Å; W259-L264 HydrophobicContact CZ3-CD1 4.48Å |
| 260 | S | 89.3 | Confident | 84.8 | Confident | 52 Ų | 52 | 71.9 Ų | 71.9 | 36% | 0.364 | 38% | 0.378 | S | S | . | . | | | trans | -66.9 | 101.3 | 169.3 | -175.6 | 0 | 0 | 0 | 0 | 111 | R262 Q263 L264 | S260-R262 PolarHBondContact O-N 3.35Å; S260-Q263 PolarHBondContact O-N 2.74Å; S260-Q263 VanDerWaalsContact O-N 3.09Å; S260-Q263 PolarHBondContact OG-N 3.14Å; S260-L264 PolarHBondContact O-N 2.72Å |
| 261 | L | 90.4 | Very high | 85.2 | Confident | 39 Ų | 39 | 74.6 Ų | 74.6 | 20% | 0.204 | 39% | 0.388 | C | S | . | . | H | α-helix | trans | -51.2 | -38.1 | 173.9 | -72.9 | 172.4 | 0 | 0 | 0 | 111.8 | L252 W259 L264 A265 L291 L292 E295 | L252-L261 HydrophobicContact CD1-CD2 4.09Å; L252-L261 HydrophobicContact CD1-CG 4.33Å; W259-L261 PolarHBondContact O-N 3.43Å; L261-L264 PolarHBondContact O-N 2.88Å; L261-A265 WeakPolarHBondContact O-CB 3.43Å; L261-A265 PolarHBondContact O-N 2.98Å; L261-L291 HydrophobicContact CD1-CB 4.25Å; L261-L291 HydrophobicContact CD1-CD1 4.15Å; L261-L291 HydrophobicContact CD2-CB 4.07Å; L261-L291 HydrophobicContact CD2-CD1 4.45Å; L261-L292 HydrophobicContact CD2-CD2 3.9Å; L261-L292 HydrophobicContact CD2-CG 4.24Å; L261-E295 HydrophobicContact CB-CG 4.36Å |
| 262 | R | 89.9 | Confident | 84.9 | Confident | 111 Ų | 111 | 70.4 Ų | 70.4 | 42% | 0.419 | 37% | 0.374 | S | S | . | . | H | α-helix | trans | -60.5 | -50.1 | 176.1 | 173.7 | 152.4 | -68.9 | -144.2 | -4 | 112.6 | S260 A265 V266 E295 I299 | S260-R262 PolarHBondContact O-N 3.35Å; R262-A265 PolarHBondContact O-N 2.88Å; R262-V266 WeakPolarHBondContact O-CG2 3.22Å; R262-V266 PolarHBondContact O-N 3.36Å; R262-E295 HydrophobicContact CB-CG 4.29Å; R262-E295 IonicContact CZ-OE1 3.53Å; R262-E295 IonicContact NE-OE1 2.63Å; R262-E295 PolarHBondContact NE-OE1 2.87Å; R262-E295 IonicContact NH2-OE1 3.34Å; R262-E295 PolarHBondContact NH2-OE1 2.99Å; R262-I299 HydrophobicContact CG-CD1 4.23Å |
| 263 | Q | 90.7 | Very high | 84.4 | Confident | 142 Ų | 142 | 78.9 Ų | 78.9 | 66% | 0.664 | 41% | 0.406 | S | S | * | . | H | α-helix | trans | -64.5 | -43.4 | 179.6 | -67.6 | 174.3 | -15.8 | 0 | 0 | 111.1 | S260 V266 F267 | S260-Q263 PolarHBondContact O-N 2.74Å; S260-Q263 VanDerWaalsContact O-N 3.09Å; S260-Q263 PolarHBondContact OG-N 3.14Å; Q263-V266 PolarHBondContact O-N 2.77Å; Q263-F267 VanDerWaalsContact O-CB 3.3Å; Q263-F267 WeakPolarHBondContact O-CB 3.48Å; Q263-F267 PolarHBondContact O-N 2.92Å |
| 264 | L | 90.6 | Very high | 83.5 | Confident | 51 Ų | 51 | 79.2 Ų | 79.2 | 27% | 0.267 | 42% | 0.422 | S | S | . | . | H | α-helix | trans | -63.3 | -41.8 | 175.9 | -68.9 | 177 | 0 | 0 | 0 | 112.3 | W259 S260 L261 L268 L292 | W259-L264 HydrophobicContact CB-CD1 3.91Å; W259-L264 HydrophobicContact CD2-CD1 4.1Å; W259-L264 HydrophobicContact CE3-CD1 3.68Å; W259-L264 HydrophobicContact CG-CD1 4.25Å; W259-L264 HydrophobicContact CZ3-CD1 4.48Å; S260-L264 PolarHBondContact O-N 2.72Å; L261-L264 PolarHBondContact O-N 2.88Å; L264-L268 WeakPolarHBondContact O-CB 3.4Å; L264-L268 WeakPolarHBondContact O-CD1 3.32Å; L264-L268 WeakPolarHBondContact O-CG 3.45Å; L264-L268 PolarHBondContact O-N 3.01Å; L264-L292 HydrophobicContact CB-CD2 3.48Å; L264-L292 VanDerWaalsContact CB-CD2 3.48Å; L264-L292 HydrophobicContact CD1-CD2 4.4Å |
| 265 | A | 90.8 | Very high | 83.1 | Confident | 0 Ų | 0 | 77.1 Ų | 77.1 | 0% | 0 | 41% | 0.413 | C | S | . | . | H | α-helix | trans | -64.4 | -44 | 177.8 | 0 | 0 | 0 | 0 | 0 | 111.5 | L261 R262 H269 L292 E295 W296 I299 | L261-A265 WeakPolarHBondContact O-CB 3.43Å; L261-A265 PolarHBondContact O-N 2.98Å; R262-A265 PolarHBondContact O-N 2.88Å; A265-H269 PolarHBondContact O-N 2.92Å; A265-H269 PolarHBondContact O-ND1 3.2Å; A265-L292 HydrophobicContact CB-CD2 4.28Å; A265-E295 HydrophobicContact CB-CB 4.12Å; A265-E295 HydrophobicContact CB-CG 3.81Å; A265-W296 HydrophobicContact CB-CB 4.25Å; A265-I299 HydrophobicContact CB-CD1 4.16Å |
| 266 | V | 92.3 | Very high | 82.3 | Confident | 55 Ų | 55 | 79 Ų | 79 | 33% | 0.333 | 43% | 0.425 | S | S | . | . | H | α-helix | trans | -60.5 | -58.9 | 172.6 | 173.9 | 0 | 0 | 0 | 0 | 110.1 | R262 Q263 L268 H269 T270 I299 | R262-V266 WeakPolarHBondContact O-CG2 3.22Å; R262-V266 PolarHBondContact O-N 3.36Å; Q263-V266 PolarHBondContact O-N 2.77Å; V266-L268 VanDerWaalsContact C-N 3.3Å; V266-L268 PolarHBondContact O-N 3.43Å; V266-H269 PolarHBondContact O-N 3.12Å; V266-T270 HydrophobicContact CG1-CG2 3.95Å; V266-T270 PolarHBondContact O-N 3.36Å; V266-T270 PolarHBondContact O-OG1 3.03Å; V266-I299 HydrophobicContact CG2-CD1 3.89Å |
| 267 | F | 90.9 | Very high | 82 | Confident | 104 Ų | 104 | 83.3 Ų | 83.3 | 46% | 0.456 | 44% | 0.44 | S | S | . | . | H | α-helix | trans | -52 | -46 | -175.6 | 175.6 | -104.2 | 0 | 0 | 0 | 112.5 | Q263 H269 E271 G272 | Q263-F267 VanDerWaalsContact O-CB 3.3Å; Q263-F267 WeakPolarHBondContact O-CB 3.48Å; Q263-F267 PolarHBondContact O-N 2.92Å; F267-H269 VanDerWaalsContact C-N 3.29Å; F267-H269 PolarHBondContact O-N 2.79Å; F267-E271 HydrophobicContact CD2-CB 3.94Å; F267-E271 WeakPolarHBondContact CD2-OE2 3.3Å; F267-E271 HydrophobicContact CE2-CB 3.92Å; F267-E271 WeakPolarHBondContact CE2-OE2 3.38Å; F267-E271 PolarHBondContact O-N 3.05Å; F267-G272 PolarHBondContact O-N 2.85Å |
| 268 | L | 87.3 | Confident | 81.6 | Confident | 29 Ų | 29 | 85.7 Ų | 85.7 | 15% | 0.152 | 46% | 0.459 | C | S | . | . | H | α-helix | trans | -66.4 | -28.8 | 179.7 | -70.5 | 169.4 | 0 | 0 | 0 | 113.7 | L264 V266 R273 L292 | L264-L268 WeakPolarHBondContact O-CB 3.4Å; L264-L268 WeakPolarHBondContact O-CD1 3.32Å; L264-L268 WeakPolarHBondContact O-CG 3.45Å; L264-L268 PolarHBondContact O-N 3.01Å; V266-L268 VanDerWaalsContact C-N 3.3Å; V266-L268 PolarHBondContact O-N 3.43Å; L268-R273 WeakPolarHBondContact O-CD 3.21Å; L268-R273 WeakPolarHBondContact O-CG 3.46Å; L268-R273 PolarHBondContact O-N 2.92Å; L268-L292 HydrophobicContact CD1-CD1 3.84Å |
| 269 | H | 85.3 | Confident | 81.3 | Confident | 51 Ų | 51 | 89.6 Ų | 89.6 | 24% | 0.236 | 46% | 0.464 | C | S | . | . | H | α-helix | trans | -94.4 | -24.4 | -177.8 | -68.5 | 93.6 | 0 | 0 | 0 | 114 | A265 V266 F267 R273 W296 | A265-H269 PolarHBondContact O-N 2.92Å; A265-H269 PolarHBondContact O-ND1 3.2Å; V266-H269 PolarHBondContact O-N 3.12Å; F267-H269 VanDerWaalsContact C-N 3.29Å; F267-H269 PolarHBondContact O-N 2.79Å; H269-R273 WeakPolarHBondContact O-CG 3.39Å; H269-R273 PolarHBondContact O-NH1 2.79Å; H269-W296 HydrophobicContact CB-CD2 3.63Å; H269-W296 HydrophobicContact CB-CE3 3.7Å; H269-W296 HydrophobicContact CB-CG 4.39Å; H269-W296 HydrophobicContact CB-CH2 3.67Å; H269-W296 HydrophobicContact CB-CZ2 3.6Å; H269-W296 HydrophobicContact CB-CZ3 3.72Å; H269-W296 AromaticContact CD2-CD1 3.62Å; H269-W296 AromaticContact CD2-CD2 3.95Å; H269-W296 AromaticContact CD2-CE2 3.82Å; H269-W296 AromaticContact CD2-CG 3.83Å; H269-W296 AromaticContact CD2-NE1 3.59Å; H269-W296 AromaticContact CE1-CD1 3.75Å; H269-W296 AromaticContact CE1-CG 3.43Å; H269-W296 VanDerWaalsContact CE1-CG 3.43Å; H269-W296 AromaticContact CG-CD1 3.86Å; H269-W296 AromaticContact CG-CD2 3.39Å; H269-W296 AromaticContact CG-CE2 3.54Å; H269-W296 AromaticContact CG-CE3 3.85Å; H269-W296 AromaticContact CG-CG 3.63Å; H269-W296 AromaticContact CG-NE1 3.8Å; H269-W296 AromaticContact ND1-CD1 3.94Å; H269-W296 AromaticContact ND1-CD2 3.45Å; H269-W296 AromaticContact ND1-CE3 3.8Å; H269-W296 AromaticContact ND1-CG 3.38Å; H269-W296 AromaticContact NE2-CD1 3.57Å; H269-W296 AromaticContact NE2-CG 3.74Å |
| 270 | T | 85.1 | Confident | 80.9 | Confident | 77 Ų | 77 | 85.7 Ų | 85.7 | 47% | 0.472 | 45% | 0.454 | S | S | . | . | H | α-helix | trans | -92.6 | -47.2 | 175.7 | 56.5 | 0 | 0 | 0 | 0 | 113.2 | V266 | V266-T270 HydrophobicContact CG1-CG2 3.95Å; V266-T270 PolarHBondContact O-N 3.36Å; V266-T270 PolarHBondContact O-OG1 3.03Å |
| 271 | E | 77.3 | Confident | 80.4 | Confident | 139 Ų | 139 | 89 Ų | 89 | 65% | 0.65 | 47% | 0.471 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -117.9 | -45 | -165.8 | -72.3 | 155.3 | -125.9 | 0 | 0 | 112.4 | F267 R273 | F267-E271 HydrophobicContact CD2-CB 3.94Å; F267-E271 WeakPolarHBondContact CD2-OE2 3.3Å; F267-E271 HydrophobicContact CE2-CB 3.92Å; F267-E271 WeakPolarHBondContact CE2-OE2 3.38Å; F267-E271 PolarHBondContact O-N 3.05Å; E271-R273 PolarHBondContact O-N 3.2Å; E271-R273 VanDerWaalsContact O-N 3.12Å |
| 272 | G | 72.1 | Confident | 80.3 | Confident | 15 Ų | 15 | 88.1 Ų | 88.1 | 16% | 0.155 | 47% | 0.472 | C | S | . | . | G | 310 helix | trans | -70.5 | -4.1 | -176.7 | 0 | 0 | 0 | 0 | 0 | 115.7 | F267 G274 A275 | F267-G272 PolarHBondContact O-N 2.85Å; G272-G274 PolarHBondContact O-N 3.44Å; G272-A275 WeakPolarHBondContact O-CB 3.36Å; G272-A275 PolarHBondContact O-N 3.01Å |
| 273 | R | 70.6 | Confident | 80.2 | Confident | 184 Ų | 184 | 88.3 Ų | 88.3 | 69% | 0.694 | 49% | 0.488 | S | S | * | . | G | 310 helix | trans | -58 | -21.9 | -174.7 | -69.1 | -74.5 | -84.4 | -78.8 | 6.9 | 114.9 | L268 H269 E271 | L268-R273 WeakPolarHBondContact O-CD 3.21Å; L268-R273 WeakPolarHBondContact O-CG 3.46Å; L268-R273 PolarHBondContact O-N 2.92Å; H269-R273 WeakPolarHBondContact O-CG 3.39Å; H269-R273 PolarHBondContact O-NH1 2.79Å; E271-R273 PolarHBondContact O-N 3.2Å; E271-R273 VanDerWaalsContact O-N 3.12Å |
| 274 | G | 61.9 | Low | 80 | Confident | 73 Ų | 73 | 84.5 Ų | 84.5 | 75% | 0.753 | 47% | 0.472 | S | S | * | . | G | 310 helix | trans | -93.9 | -8.5 | 178.5 | 0 | 0 | 0 | 0 | 0 | 115.4 | G272 P276 | G272-G274 PolarHBondContact O-N 3.44Å; G274-P276 WeakPolarHBondContact O-CD 3.47Å |
| 275 | A | 71.7 | Confident | 79.9 | Confident | 63 Ų | 63 | 86.6 Ų | 86.6 | 52% | 0.521 | 48% | 0.48 | S | S | . | . | S | Bend | trans | -77.9 | 127.2 | -175.4 | 0 | 0 | 0 | 0 | 0 | 111.5 | G272 R277 | G272-A275 WeakPolarHBondContact O-CB 3.36Å; G272-A275 PolarHBondContact O-N 3.01Å; A275-R277 PolarHBondContact O-N 3.02Å |
| 276 | P | 63.9 | Low | 79.8 | Confident | 133 Ų | 133 | 92 Ų | 92 | 86% | 0.864 | 50% | 0.504 | S | S | * | . | | | trans | -67.3 | 90 | 171.8 | -18.8 | 32.8 | 0 | 0 | 0 | 110.8 | G274 | G274-P276 WeakPolarHBondContact O-CD 3.47Š|
| 277 | R | 70.8 | Confident | 79.7 | Confident | 150 Ų | 150 | 94.4 Ų | 94.4 | 57% | 0.566 | 51% | 0.507 | S | S | * | . | P | Polyproline II helix | trans | -73.5 | 139.4 | 176.1 | -100.2 | -172.7 | 165.8 | -160.3 | -6.4 | 111.1 | A275 | A275-R277 PolarHBondContact O-N 3.02Š|
| 278 | P | 73.8 | Confident | 79.6 | Confident | 114 Ų | 114 | 90.4 Ų | 90.4 | 74% | 0.74 | 49% | 0.491 | S | S | * | . | P | Polyproline II helix | trans | -59.9 | 144.8 | 161.4 | 28.5 | -33.8 | 0 | 0 | 0 | 109.2 | | |
| 279 | K | 75.1 | Confident | 79.7 | Confident | 183 Ų | 183 | 92.9 Ų | 92.9 | 80% | 0.796 | 50% | 0.501 | S | S | * | . | P | Polyproline II helix | trans | -64.1 | 139.3 | 171 | -64.1 | 177.5 | 179.6 | 177.8 | 0 | 108.5 | V281 | K279-V281 VanDerWaalsContact O-CG2 3.32Å; K279-V281 WeakPolarHBondContact O-CG2 3.42Å; K279-V281 PolarHBondContact O-N 3.26Å; K279-V281 VanDerWaalsContact O-N 3.08Å |
| 280 | P | 80.1 | Confident | 80 | Confident | 34 Ų | 34 | 97 Ų | 97 | 22% | 0.221 | 52% | 0.515 | C | S | . | . | | | trans | -63.5 | 113.9 | 175.9 | 26.5 | -34.1 | 0 | 0 | 0 | 110 | E285 K286 | P280-E285 HydrophobicContact CB-CB 3.55Å; P280-K286 HydrophobicContact CB-CG 3.96Å; P280-K286 HydrophobicContact CG-CG 4.13Å; P280-K286 WeakPolarHBondContact O-CE 3.47Å |
| 281 | V | 77.7 | Confident | 80.4 | Confident | 121 Ų | 121 | 94.9 Ų | 94.9 | 73% | 0.733 | 50% | 0.5 | S | S | * | . | | | trans | -86.7 | -47.4 | -176.5 | -170.1 | 0 | 0 | 0 | 0 | 109.3 | K279 E285 K286 | K279-V281 VanDerWaalsContact O-CG2 3.32Å; K279-V281 WeakPolarHBondContact O-CG2 3.42Å; K279-V281 PolarHBondContact O-N 3.26Å; K279-V281 VanDerWaalsContact O-N 3.08Å; V281-E285 WeakPolarHBondContact CA-OE2 3.26Å; V281-E285 PolarHBondContact N-OE2 3.45Å; V281-K286 PolarHBondContact O-NZ 3.47Å |
| 282 | G | 88.1 | Confident | 81 | Confident | 22 Ų | 22 | 88.9 Ų | 88.9 | 23% | 0.227 | 47% | 0.473 | C | S | . | . | S | Bend | trans | -82.6 | 158.5 | -175.3 | 0 | 0 | 0 | 0 | 0 | 114.9 | L284 E285 K286 | G282-L284 VanDerWaalsContact C-N 3.35Å; G282-L284 PolarHBondContact O-N 2.91Å; G282-E285 PolarHBondContact N-OE2 3.25Å; G282-E285 PolarHBondContact O-N 3.47Å; G282-K286 WeakPolarHBondContact O-CG 3.32Å; G282-K286 PolarHBondContact O-N 3.21Å; G282-K286 VanDerWaalsContact O-N 3.17Å |
| 283 | P | 87.6 | Confident | 82 | Confident | 115 Ų | 115 | 92 Ų | 92 | 75% | 0.747 | 48% | 0.484 | S | S | * | . | H | α-helix | trans | -59.7 | -41.8 | 173.5 | -23.6 | 34.4 | 0 | 0 | 0 | 113.1 | E285 K286 Y287 | P283-E285 VanDerWaalsContact C-N 3.33Å; P283-E285 PolarHBondContact O-N 2.87Å; P283-K286 PolarHBondContact O-N 3.46Å; P283-Y287 PolarHBondContact O-N 3.03Å |
| 284 | L | 86.9 | Confident | 83.2 | Confident | 62 Ų | 62 | 87 Ų | 87 | 33% | 0.325 | 47% | 0.47 | S | S | . | . | H | α-helix | trans | -61.6 | -40.3 | 176.3 | 177.7 | 61.1 | 0 | 0 | 0 | 112 | P253 F256 G282 K286 Y287 L288 | P253-L284 HydrophobicContact CG-CD1 4.01Å; F256-L284 HydrophobicContact CD2-CD2 4.17Å; F256-L284 HydrophobicContact CE2-CD2 3.76Å; F256-L284 HydrophobicContact CZ-CD2 4.44Å; G282-L284 VanDerWaalsContact C-N 3.35Å; G282-L284 PolarHBondContact O-N 2.91Å; L284-K286 VanDerWaalsContact C-N 3.34Å; L284-K286 PolarHBondContact O-N 3.28Å; L284-Y287 HydrophobicContact CD1-CD1 4.42Å; L284-Y287 PolarHBondContact O-N 2.83Å; L284-L288 HydrophobicContact CD1-CD1 4.32Å; L284-L288 HydrophobicContact CD1-CG 4.33Å; L284-L288 HydrophobicContact CG-CD1 4.05Å; L284-L288 WeakPolarHBondContact O-CB 3.49Å; L284-L288 WeakPolarHBondContact O-CG 3.34Å; L284-L288 PolarHBondContact O-N 3.49Å |
| 285 | E | 88.2 | Confident | 84.7 | Confident | 94 Ų | 94 | 85 Ų | 85 | 44% | 0.439 | 44% | 0.441 | S | S | . | . | H | α-helix | trans | -67.6 | -36.3 | -179.9 | -57.1 | 177.5 | 147.8 | 0 | 0 | 111.5 | P280 V281 G282 P283 E289 | P280-E285 HydrophobicContact CB-CB 3.55Å; V281-E285 WeakPolarHBondContact CA-OE2 3.26Å; V281-E285 PolarHBondContact N-OE2 3.45Å; G282-E285 PolarHBondContact N-OE2 3.25Å; G282-E285 PolarHBondContact O-N 3.47Å; P283-E285 VanDerWaalsContact C-N 3.33Å; P283-E285 PolarHBondContact O-N 2.87Å; E285-E289 WeakPolarHBondContact O-CB 3.14Å; E285-E289 PolarHBondContact O-N 2.86Å |
| 286 | K | 89.7 | Confident | 85.7 | Confident | 115 Ų | 115 | 84.3 Ų | 84.3 | 50% | 0.5 | 43% | 0.425 | S | S | . | . | H | α-helix | trans | -69.4 | -37.4 | 173.4 | -66.9 | 168.6 | -174.3 | 166.3 | 0 | 111.9 | P280 V281 G282 P283 L284 R290 | P280-K286 HydrophobicContact CB-CG 3.96Å; P280-K286 HydrophobicContact CG-CG 4.13Å; P280-K286 WeakPolarHBondContact O-CE 3.47Å; V281-K286 PolarHBondContact O-NZ 3.47Å; G282-K286 WeakPolarHBondContact O-CG 3.32Å; G282-K286 PolarHBondContact O-N 3.21Å; G282-K286 VanDerWaalsContact O-N 3.17Å; P283-K286 PolarHBondContact O-N 3.46Å; L284-K286 VanDerWaalsContact C-N 3.34Å; L284-K286 PolarHBondContact O-N 3.28Å; K286-R290 WeakPolarHBondContact O-CB 3.46Å; K286-R290 PolarHBondContact O-N 3Å |
| 287 | Y | 89.4 | Confident | 87.2 | Confident | 105 Ų | 105 | 82.6 Ų | 82.6 | 41% | 0.412 | 41% | 0.408 | S | S | . | . | H | α-helix | trans | -64.8 | -47.3 | 173.1 | 176.6 | -111.2 | 0 | 0 | 0 | 111.5 | L252 P283 L284 E289 R290 L291 | L252-Y287 HydrophobicContact CD2-CE1 4.26Å; P283-Y287 PolarHBondContact O-N 3.03Å; L284-Y287 HydrophobicContact CD1-CD1 4.42Å; L284-Y287 PolarHBondContact O-N 2.83Å; Y287-E289 PolarHBondContact O-N 3.48Å; Y287-R290 PolarHBondContact O-N 3.36Å; Y287-R290 VanDerWaalsContact O-N 3.16Å; Y287-L291 HydrophobicContact CD1-CD1 3.97Å; Y287-L291 HydrophobicContact CE1-CD1 3.45Å; Y287-L291 VanDerWaalsContact CE1-CD1 3.45Å; Y287-L291 HydrophobicContact CE1-CG 4.26Å; Y287-L291 HydrophobicContact CE2-CD1 4.22Å; Y287-L291 HydrophobicContact CE2-CD2 4.36Å; Y287-L291 HydrophobicContact CE2-CG 4.18Å; Y287-L291 WeakPolarHBondContact O-CG 3.48Å; Y287-L291 PolarHBondContact O-N 2.91Å |
| 288 | L | 89.1 | Confident | 88.3 | Confident | 20 Ų | 20 | 80.6 Ų | 80.6 | 11% | 0.105 | 41% | 0.405 | C | S | . | . | H | α-helix | trans | -59 | -46.3 | 174.1 | -75 | 167.4 | 0 | 0 | 0 | 112 | L252 L284 R290 L291 L292 | L252-L288 HydrophobicContact CD1-CD2 3.99Å; L252-L288 HydrophobicContact CD2-CD2 3.51Å; L252-L288 HydrophobicContact CG-CD2 4.36Å; L284-L288 HydrophobicContact CD1-CD1 4.32Å; L284-L288 HydrophobicContact CD1-CG 4.33Å; L284-L288 HydrophobicContact CG-CD1 4.05Å; L284-L288 WeakPolarHBondContact O-CB 3.49Å; L284-L288 WeakPolarHBondContact O-CG 3.34Å; L284-L288 PolarHBondContact O-N 3.49Å; L288-R290 VanDerWaalsContact C-N 3.31Å; L288-R290 PolarHBondContact O-N 2.84Å; L288-L291 PolarHBondContact O-N 3.25Å; L288-L292 WeakPolarHBondContact O-CB 3.26Å; L288-L292 WeakPolarHBondContact O-CD1 3.49Å; L288-L292 WeakPolarHBondContact O-CG 3.5Å; L288-L292 PolarHBondContact O-N 3.29Å |
| 289 | E | 89.9 | Confident | 89.2 | Confident | 80 Ų | 80 | 76.1 Ų | 76.1 | 37% | 0.374 | 38% | 0.375 | S | S | . | . | H | α-helix | trans | -59.8 | -42.1 | 174.7 | -174.6 | 176.8 | -109.5 | 0 | 0 | 111.4 | E285 Y287 L292 Q293 | E285-E289 WeakPolarHBondContact O-CB 3.14Å; E285-E289 PolarHBondContact O-N 2.86Å; Y287-E289 PolarHBondContact O-N 3.48Å; E289-L292 PolarHBondContact O-N 2.8Å; E289-Q293 WeakPolarHBondContact O-CG 3.33Å; E289-Q293 PolarHBondContact O-N 2.92Å |
| 290 | R | 92 | Very high | 90.1 | Very high | 137 Ų | 137 | 72.1 Ų | 72.1 | 52% | 0.517 | 36% | 0.359 | S | S | . | . | H | α-helix | trans | -67.4 | -39.8 | 178.9 | -174.5 | 54.8 | 177.5 | 172.7 | 2.5 | 112.9 | K286 Y287 L288 Q293 L294 | K286-R290 WeakPolarHBondContact O-CB 3.46Å; K286-R290 PolarHBondContact O-N 3Å; Y287-R290 PolarHBondContact O-N 3.36Å; Y287-R290 VanDerWaalsContact O-N 3.16Å; L288-R290 VanDerWaalsContact C-N 3.31Å; L288-R290 PolarHBondContact O-N 2.84Å; R290-Q293 WeakPolarHBondContact O-CB 3.43Å; R290-Q293 PolarHBondContact O-N 2.64Å; R290-L294 HydrophobicContact CG-CD1 4.2Å; R290-L294 VanDerWaalsContact O-CG 3.32Å; R290-L294 WeakPolarHBondContact O-CG 3.47Å; R290-L294 PolarHBondContact O-N 3.21Å; R290-L294 VanDerWaalsContact O-N 3.08Å |
| 291 | L | 91.8 | Very high | 90.7 | Very high | 33 Ų | 33 | 73.3 Ų | 73.3 | 17% | 0.173 | 37% | 0.366 | C | S | . | . | H | α-helix | trans | -60.8 | -44.9 | 172.8 | -75 | 176.1 | 0 | 0 | 0 | 111.4 | L252 L261 Y287 L288 Q293 L294 E295 | L252-L291 HydrophobicContact CD2-CD1 3.49Å; L252-L291 VanDerWaalsContact CD2-CD1 3.49Å; L261-L291 HydrophobicContact CD1-CB 4.25Å; L261-L291 HydrophobicContact CD1-CD1 4.15Å; L261-L291 HydrophobicContact CD2-CB 4.07Å; L261-L291 HydrophobicContact CD2-CD1 4.45Å; Y287-L291 HydrophobicContact CD1-CD1 3.97Å; Y287-L291 HydrophobicContact CE1-CD1 3.45Å; Y287-L291 VanDerWaalsContact CE1-CD1 3.45Å; Y287-L291 HydrophobicContact CE1-CG 4.26Å; Y287-L291 HydrophobicContact CE2-CD1 4.22Å; Y287-L291 HydrophobicContact CE2-CD2 4.36Å; Y287-L291 HydrophobicContact CE2-CG 4.18Å; Y287-L291 WeakPolarHBondContact O-CG 3.48Å; Y287-L291 PolarHBondContact O-N 2.91Å; L288-L291 PolarHBondContact O-N 3.25Å; L291-Q293 VanDerWaalsContact C-N 3.32Å; L291-Q293 PolarHBondContact O-N 2.85Å; L291-L294 PolarHBondContact O-N 3.21Å; L291-L294 VanDerWaalsContact O-N 3.11Å; L291-E295 PolarHBondContact O-N 3.13Å |
| 292 | L | 91.5 | Very high | 91.4 | Very high | 14 Ų | 14 | 70.8 Ų | 70.8 | 7% | 0.073 | 35% | 0.35 | C | S | . | . | H | α-helix | trans | -66.4 | -31.5 | 179.1 | -67.4 | 165.8 | 0 | 0 | 0 | 112.8 | L261 L264 A265 L268 L288 E289 W296 | L261-L292 HydrophobicContact CD2-CD2 3.9Å; L261-L292 HydrophobicContact CD2-CG 4.24Å; L264-L292 HydrophobicContact CB-CD2 3.48Å; L264-L292 VanDerWaalsContact CB-CD2 3.48Å; L264-L292 HydrophobicContact CD1-CD2 4.4Å; A265-L292 HydrophobicContact CB-CD2 4.28Å; L268-L292 HydrophobicContact CD1-CD1 3.84Å; L288-L292 WeakPolarHBondContact O-CB 3.26Å; L288-L292 WeakPolarHBondContact O-CD1 3.49Å; L288-L292 WeakPolarHBondContact O-CG 3.5Å; L288-L292 PolarHBondContact O-N 3.29Å; E289-L292 PolarHBondContact O-N 2.8Å; L292-W296 VanDerWaalsContact O-CB 3.26Å; L292-W296 WeakPolarHBondContact O-CB 3.34Å; L292-W296 PolarHBondContact O-N 2.93Å; L292-W296 VanDerWaalsContact O-N 3.14Å |
| 293 | Q | 93.2 | Very high | 91.4 | Very high | 81 Ų | 81 | 75.9 Ų | 75.9 | 38% | 0.379 | 37% | 0.368 | S | S | . | . | H | α-helix | trans | -65.7 | -41.7 | 169.3 | -71.4 | 168.8 | 11.4 | 0 | 0 | 112.2 | E289 R290 L291 L297 | E289-Q293 WeakPolarHBondContact O-CG 3.33Å; E289-Q293 PolarHBondContact O-N 2.92Å; R290-Q293 WeakPolarHBondContact O-CB 3.43Å; R290-Q293 PolarHBondContact O-N 2.64Å; L291-Q293 VanDerWaalsContact C-N 3.32Å; L291-Q293 PolarHBondContact O-N 2.85Å; Q293-L297 WeakPolarHBondContact O-CB 3.15Å; Q293-L297 PolarHBondContact O-N 3.42Å |
| 294 | L | 94 | Very high | 91.3 | Very high | 78 Ų | 78 | 72.8 Ų | 72.8 | 41% | 0.408 | 35% | 0.353 | S | S | . | . | H | α-helix | trans | -72.7 | -44.8 | -177.3 | -70.5 | 168.2 | 0 | 0 | 0 | 111.8 | R290 L291 W296 L297 Q298 | R290-L294 HydrophobicContact CG-CD1 4.2Å; R290-L294 VanDerWaalsContact O-CG 3.32Å; R290-L294 WeakPolarHBondContact O-CG 3.47Å; R290-L294 PolarHBondContact O-N 3.21Å; R290-L294 VanDerWaalsContact O-N 3.08Å; L291-L294 PolarHBondContact O-N 3.21Å; L291-L294 VanDerWaalsContact O-N 3.11Å; L294-W296 VanDerWaalsContact C-N 3.33Å; L294-W296 PolarHBondContact O-N 3.17Å; L294-L297 PolarHBondContact O-N 2.65Å; L294-Q298 WeakPolarHBondContact O-CB 3.44Å; L294-Q298 PolarHBondContact O-N 3.29Å |
| 295 | E | 93.3 | Very high | 91.1 | Very high | 31 Ų | 31 | 75.4 Ų | 75.4 | 15% | 0.145 | 36% | 0.363 | C | S | . | . | H | α-helix | trans | -61.8 | -40.6 | 173.7 | 177.2 | 59.2 | -143.3 | 0 | 0 | 111.2 | L261 R262 A265 L291 Q298 I299 | L261-E295 HydrophobicContact CB-CG 4.36Å; R262-E295 HydrophobicContact CB-CG 4.29Å; R262-E295 IonicContact CZ-OE1 3.53Å; R262-E295 IonicContact NE-OE1 2.63Å; R262-E295 PolarHBondContact NE-OE1 2.87Å; R262-E295 IonicContact NH2-OE1 3.34Å; R262-E295 PolarHBondContact NH2-OE1 2.99Å; A265-E295 HydrophobicContact CB-CB 4.12Å; A265-E295 HydrophobicContact CB-CG 3.81Å; L291-E295 PolarHBondContact O-N 3.13Å; E295-Q298 PolarHBondContact O-N 2.83Å; E295-I299 HydrophobicContact CG-CD1 4.06Å; E295-I299 WeakPolarHBondContact O-CD1 3.41Å; E295-I299 VanDerWaalsContact O-CG1 3.26Å; E295-I299 WeakPolarHBondContact O-CG1 3.06Å; E295-I299 PolarHBondContact O-N 3.47Å |
| 296 | W | 94.4 | Very high | 90.7 | Very high | 49 Ų | 49 | 75.5 Ų | 75.5 | 19% | 0.186 | 37% | 0.374 | C | S | . | . | H | α-helix | trans | -62.7 | -42.7 | 173.6 | -179.6 | -108.8 | 0 | 0 | 0 | 112.5 | A265 H269 L292 L294 Q298 I299 Q300 | A265-W296 HydrophobicContact CB-CB 4.25Å; H269-W296 HydrophobicContact CB-CD2 3.63Å; H269-W296 HydrophobicContact CB-CE3 3.7Å; H269-W296 HydrophobicContact CB-CG 4.39Å; H269-W296 HydrophobicContact CB-CH2 3.67Å; H269-W296 HydrophobicContact CB-CZ2 3.6Å; H269-W296 HydrophobicContact CB-CZ3 3.72Å; H269-W296 AromaticContact CD2-CD1 3.62Å; H269-W296 AromaticContact CD2-CD2 3.95Å; H269-W296 AromaticContact CD2-CE2 3.82Å; H269-W296 AromaticContact CD2-CG 3.83Å; H269-W296 AromaticContact CD2-NE1 3.59Å; H269-W296 AromaticContact CE1-CD1 3.75Å; H269-W296 AromaticContact CE1-CG 3.43Å; H269-W296 VanDerWaalsContact CE1-CG 3.43Å; H269-W296 AromaticContact CG-CD1 3.86Å; H269-W296 AromaticContact CG-CD2 3.39Å; H269-W296 AromaticContact CG-CE2 3.54Å; H269-W296 AromaticContact CG-CE3 3.85Å; H269-W296 AromaticContact CG-CG 3.63Å; H269-W296 AromaticContact CG-NE1 3.8Å; H269-W296 AromaticContact ND1-CD1 3.94Å; H269-W296 AromaticContact ND1-CD2 3.45Å; H269-W296 AromaticContact ND1-CE3 3.8Å; H269-W296 AromaticContact ND1-CG 3.38Å; H269-W296 AromaticContact NE2-CD1 3.57Å; H269-W296 AromaticContact NE2-CG 3.74Å; L292-W296 VanDerWaalsContact O-CB 3.26Å; L292-W296 WeakPolarHBondContact O-CB 3.34Å; L292-W296 PolarHBondContact O-N 2.93Å; L292-W296 VanDerWaalsContact O-N 3.14Å; L294-W296 VanDerWaalsContact C-N 3.33Å; L294-W296 PolarHBondContact O-N 3.17Å; W296-Q298 VanDerWaalsContact C-N 3.31Å; W296-Q298 PolarHBondContact O-N 2.84Å; W296-I299 HydrophobicContact CE3-CD1 4.3Å; W296-I299 HydrophobicContact CE3-CG2 4.44Å; W296-I299 HydrophobicContact CZ3-CG2 4.28Å; W296-I299 PolarHBondContact O-N 3.19Å; W296-Q300 HydrophobicContact CD2-CG 4.41Å; W296-Q300 HydrophobicContact CZ2-CG 4.06Å; W296-Q300 VanDerWaalsContact NE1-NE2 3.17Å; W296-Q300 WeakPolarHBondContact O-CG 3.42Å; W296-Q300 PolarHBondContact O-N 2.74Å |
| 297 | L | 93.8 | Very high | 89.8 | Confident | 96 Ų | 96 | 74.3 Ų | 74.3 | 50% | 0.503 | 38% | 0.381 | S | S | . | . | H | α-helix | trans | -62.6 | -37.8 | 174.6 | 179.8 | 62.2 | 0 | 0 | 0 | 111.9 | Q293 L294 Q300 T301 | Q293-L297 WeakPolarHBondContact O-CB 3.15Å; Q293-L297 PolarHBondContact O-N 3.42Å; L294-L297 PolarHBondContact O-N 2.65Å; L297-Q300 PolarHBondContact O-N 3.42Å; L297-T301 WeakPolarHBondContact O-CB 3.42Å; L297-T301 PolarHBondContact O-N 3.16Å; L297-T301 PolarHBondContact O-OG1 2.75Å |
| 298 | Q | 94.9 | Very high | 88.7 | Confident | 108 Ų | 108 | 76.9 Ų | 76.9 | 51% | 0.505 | 39% | 0.39 | S | S | . | . | H | α-helix | trans | -65.8 | -43.3 | 174.9 | -176.1 | 174.2 | -12.8 | 0 | 0 | 111.5 | L294 E295 W296 Q300 T301 V302 | L294-Q298 WeakPolarHBondContact O-CB 3.44Å; L294-Q298 PolarHBondContact O-N 3.29Å; E295-Q298 PolarHBondContact O-N 2.83Å; W296-Q298 VanDerWaalsContact C-N 3.31Å; W296-Q298 PolarHBondContact O-N 2.84Å; Q298-Q300 VanDerWaalsContact C-N 3.34Å; Q298-Q300 PolarHBondContact O-N 3.36Å; Q298-T301 PolarHBondContact O-N 3.06Å; Q298-V302 WeakPolarHBondContact O-CB 3.23Å; Q298-V302 WeakPolarHBondContact O-CG2 3.32Å; Q298-V302 PolarHBondContact O-N 3.43Å |
| 299 | I | 92.5 | Very high | 87.4 | Confident | 20 Ų | 20 | 80.6 Ų | 80.6 | 10% | 0.103 | 42% | 0.415 | C | S | . | . | H | α-helix | trans | -58.6 | -45.7 | 172.4 | -67.4 | 159.4 | 0 | 0 | 0 | 110.6 | R262 A265 V266 E295 W296 T301 Q303 | R262-I299 HydrophobicContact CG-CD1 4.23Å; A265-I299 HydrophobicContact CB-CD1 4.16Å; V266-I299 HydrophobicContact CG2-CD1 3.89Å; E295-I299 HydrophobicContact CG-CD1 4.06Å; E295-I299 WeakPolarHBondContact O-CD1 3.41Å; E295-I299 VanDerWaalsContact O-CG1 3.26Å; E295-I299 WeakPolarHBondContact O-CG1 3.06Å; E295-I299 PolarHBondContact O-N 3.47Å; W296-I299 HydrophobicContact CE3-CD1 4.3Å; W296-I299 HydrophobicContact CE3-CG2 4.44Å; W296-I299 HydrophobicContact CZ3-CG2 4.28Å; W296-I299 PolarHBondContact O-N 3.19Å; I299-T301 PolarHBondContact O-N 2.74Å; I299-Q303 WeakPolarHBondContact O-CB 3.39Å; I299-Q303 VanDerWaalsContact O-CG 3.23Å; I299-Q303 WeakPolarHBondContact O-CG 3.21Å; I299-Q303 PolarHBondContact O-N 2.72Å |
| 300 | Q | 93.7 | Very high | 85.6 | Confident | 99 Ų | 99 | 82.7 Ų | 82.7 | 46% | 0.463 | 44% | 0.435 | S | S | . | . | H | α-helix | trans | -63.1 | -40.2 | 176.8 | -72.3 | -172 | -41.3 | 0 | 0 | 112.6 | W296 L297 Q298 Q303 A304 | W296-Q300 HydrophobicContact CD2-CG 4.41Å; W296-Q300 HydrophobicContact CZ2-CG 4.06Å; W296-Q300 VanDerWaalsContact NE1-NE2 3.17Å; W296-Q300 WeakPolarHBondContact O-CG 3.42Å; W296-Q300 PolarHBondContact O-N 2.74Å; L297-Q300 PolarHBondContact O-N 3.42Å; Q298-Q300 VanDerWaalsContact C-N 3.34Å; Q298-Q300 PolarHBondContact O-N 3.36Å; Q300-Q303 PolarHBondContact O-N 3.29Å; Q300-A304 VanDerWaalsContact O-CB 3.29Å; Q300-A304 WeakPolarHBondContact O-CB 3.29Å; Q300-A304 PolarHBondContact O-N 3.02Å |
| 301 | T | 92.8 | Very high | 83.9 | Confident | 59 Ų | 59 | 79.6 Ų | 79.6 | 36% | 0.362 | 45% | 0.446 | S | S | . | . | H | α-helix | trans | -66.1 | -50.3 | 178.5 | -57.4 | 0 | 0 | 0 | 0 | 110.9 | L297 Q298 I299 Q303 A304 E305 | L297-T301 WeakPolarHBondContact O-CB 3.42Å; L297-T301 PolarHBondContact O-N 3.16Å; L297-T301 PolarHBondContact O-OG1 2.75Å; Q298-T301 PolarHBondContact O-N 3.06Å; I299-T301 PolarHBondContact O-N 2.74Å; T301-Q303 VanDerWaalsContact C-N 3.27Å; T301-Q303 PolarHBondContact O-N 2.72Å; T301-A304 CarbonylContact O-C 3.49Å; T301-A304 WeakPolarHBondContact O-CA 3.28Å; T301-A304 PolarHBondContact O-N 2.63Å; T301-E305 HydrophobicContact CG2-CG 4.42Å; T301-E305 WeakPolarHBondContact O-CG 3.24Å; T301-E305 PolarHBondContact O-N 2.76Å |
| 302 | V | 91.6 | Very high | 81.8 | Confident | 68 Ų | 68 | 80.1 Ų | 80.1 | 41% | 0.412 | 46% | 0.46 | S | S | . | . | H | α-helix | trans | -58.7 | -38.2 | 177 | 171.4 | 0 | 0 | 0 | 0 | 111.5 | Q298 E305 S306 | Q298-V302 WeakPolarHBondContact O-CB 3.23Å; Q298-V302 WeakPolarHBondContact O-CG2 3.32Å; Q298-V302 PolarHBondContact O-N 3.43Å; V302-E305 PolarHBondContact O-N 2.79Å; V302-S306 WeakPolarHBondContact O-CB 3.4Å; V302-S306 PolarHBondContact O-N 3.02Å |
| 303 | Q | 88.3 | Confident | 80 | Confident | 129 Ų | 129 | 91.3 Ų | 91.3 | 60% | 0.603 | 50% | 0.501 | S | S | * | . | H | α-helix | trans | -69.1 | -37.4 | 173.6 | -69.7 | -71.4 | -8.2 | 0 | 0 | 112.6 | I299 Q300 T301 E305 S307 | I299-Q303 WeakPolarHBondContact O-CB 3.39Å; I299-Q303 VanDerWaalsContact O-CG 3.23Å; I299-Q303 WeakPolarHBondContact O-CG 3.21Å; I299-Q303 PolarHBondContact O-N 2.72Å; Q300-Q303 PolarHBondContact O-N 3.29Å; T301-Q303 VanDerWaalsContact C-N 3.27Å; T301-Q303 PolarHBondContact O-N 2.72Å; Q303-E305 VanDerWaalsContact C-N 3.29Å; Q303-E305 PolarHBondContact O-N 3.07Å; Q303-S307 VanDerWaalsContact O-CB 3.28Å; Q303-S307 WeakPolarHBondContact O-CB 3.47Å; Q303-S307 PolarHBondContact O-N 2.8Å; Q303-S307 VanDerWaalsContact O-N 3.13Å; Q303-S307 PolarHBondContact O-OG 3.24Å |
| 304 | A | 86.2 | Confident | 77.8 | Confident | 51 Ų | 51 | 93.1 Ų | 93.1 | 42% | 0.421 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -75.5 | -13.9 | 176.8 | 0 | 0 | 0 | 0 | 0 | 114.4 | Q300 T301 R308 | Q300-A304 VanDerWaalsContact O-CB 3.29Å; Q300-A304 WeakPolarHBondContact O-CB 3.29Å; Q300-A304 PolarHBondContact O-N 3.02Å; T301-A304 CarbonylContact O-C 3.49Å; T301-A304 WeakPolarHBondContact O-CA 3.28Å; T301-A304 PolarHBondContact O-N 2.63Å; A304-R308 PolarHBondContact O-NE 3.12Å |
| 305 | E | 83.3 | Confident | 75.4 | Confident | 116 Ų | 116 | 99.1 Ų | 99.1 | 54% | 0.542 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -95.1 | -48.6 | 172.3 | -71.3 | 175.2 | 163.4 | 0 | 0 | 110.9 | T301 V302 Q303 S307 R308 | T301-E305 HydrophobicContact CG2-CG 4.42Å; T301-E305 WeakPolarHBondContact O-CG 3.24Å; T301-E305 PolarHBondContact O-N 2.76Å; V302-E305 PolarHBondContact O-N 2.79Å; Q303-E305 VanDerWaalsContact C-N 3.29Å; Q303-E305 PolarHBondContact O-N 3.07Å; E305-S307 PolarHBondContact O-N 3.26Å; E305-R308 VanDerWaalsContact O-CB 3.32Å; E305-R308 WeakPolarHBondContact O-CB 3.44Å; E305-R308 PolarHBondContact O-N 3.42Å |
| 306 | S | 78.8 | Confident | 73.3 | Confident | 97 Ų | 97 | 104 Ų | 104 | 68% | 0.678 | 57% | 0.57 | S | S | * | * | H | α-helix | trans | -64.3 | -18.4 | 177 | -173.7 | 0 | 0 | 0 | 0 | 114 | V302 R308 | V302-S306 WeakPolarHBondContact O-CB 3.4Å; V302-S306 PolarHBondContact O-N 3.02Å; S306-R308 VanDerWaalsContact C-N 3.33Å |
| 307 | S | 70.6 | Confident | 71 | Confident | 90 Ų | 90 | 108.2 Ų | 108.2 | 63% | 0.629 | 59% | 0.591 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -85.6 | -1.2 | 171.9 | 52.3 | 0 | 0 | 0 | 0 | 113.8 | Q303 E305 | Q303-S307 VanDerWaalsContact O-CB 3.28Å; Q303-S307 WeakPolarHBondContact O-CB 3.47Å; Q303-S307 PolarHBondContact O-N 2.8Å; Q303-S307 VanDerWaalsContact O-N 3.13Å; Q303-S307 PolarHBondContact O-OG 3.24Å; E305-S307 PolarHBondContact O-N 3.26Å |
| 308 | R | 68.1 | Low | 68.3 | Low | 159 Ų | 159 | 107.4 Ų | 107.4 | 60% | 0.6 | 59% | 0.594 | S | S | * | * | S | Bend | trans | -89.7 | 125 | 170.2 | -60.9 | 174.8 | -176.7 | -112 | 0.6 | 108.9 | A304 E305 S306 | A304-R308 PolarHBondContact O-NE 3.12Å; E305-R308 VanDerWaalsContact O-CB 3.32Å; E305-R308 WeakPolarHBondContact O-CB 3.44Å; E305-R308 PolarHBondContact O-N 3.42Å; S306-R308 VanDerWaalsContact C-N 3.33Å |
| 309 | P | 61.9 | Low | 65.8 | Low | 97 Ų | 97 | 109.7 Ų | 109.7 | 63% | 0.63 | 60% | 0.602 | S | S | * | * | P | Polyproline II helix | trans | -64.9 | 137.8 | -180 | 25.6 | -33.4 | 0 | 0 | 0 | 111.2 | G311 G312 | P309-G311 PolarHBondContact O-N 2.81Å; P309-G312 PolarHBondContact O-N 2.74Å |
| 310 | P | 50.3 | Low | 63.5 | Low | 124 Ų | 124 | 114.7 Ų | 114.7 | 81% | 0.805 | 64% | 0.636 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -52.1 | 136 | 172.7 | -27.3 | 35.5 | 0 | 0 | 0 | 111.7 | | |
| 311 | G | 57.3 | Low | 61 | Low | 72 Ų | 72 | 114.5 Ų | 114.5 | 74% | 0.742 | 65% | 0.646 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 94.3 | -12.8 | -171.7 | 0 | 0 | 0 | 0 | 0 | 114.9 | P309 R313 | P309-G311 PolarHBondContact O-N 2.81Å; G311-R313 PolarHBondContact O-N 2.85Å |
| 312 | G | 47.3 | Very low | 58.6 | Low | 45 Ų | 45 | 117.5 Ų | 117.5 | 46% | 0.464 | 67% | 0.669 | S | S | . | * | | | trans | -70.9 | 54.3 | 176.4 | 0 | 0 | 0 | 0 | 0 | 115.7 | P309 T314 | P309-G312 PolarHBondContact O-N 2.74Å; G312-T314 PolarHBondContact O-N 3.47Å |
| 313 | R | 53 | Low | 56.2 | Low | 249 Ų | 249 | 120.3 Ų | 120.3 | 94% | 0.94 | 69% | 0.686 | S | S | * | * | | | trans | -73.1 | 55.5 | 175.4 | -79.2 | -164.8 | 174.3 | -144.3 | 1.2 | 112.9 | G311 R315 | G311-R313 PolarHBondContact O-N 2.85Å; R313-R315 PolarHBondContact O-N 2.71Å; R313-R315 VanDerWaalsContact O-N 3.12Å |
| 314 | T | 47.6 | Very low | 53.9 | Low | 119 Ų | 119 | 118.4 Ų | 118.4 | 73% | 0.73 | 69% | 0.693 | S | S | * | * | | | trans | -76.7 | 96.5 | 167.1 | 40 | 0 | 0 | 0 | 0 | 110.6 | G312 | G312-T314 PolarHBondContact O-N 3.47Š|
| 315 | R | 44.4 | Very low | 52 | Low | 203 Ų | 203 | 120.6 Ų | 120.6 | 77% | 0.766 | 71% | 0.71 | S | S | * | * | | | trans | -32.3 | 138.9 | 156.7 | 178.6 | -176.4 | -173.5 | 174.1 | 3.8 | 110.7 | R313 Q317 | R313-R315 PolarHBondContact O-N 2.71Å; R313-R315 VanDerWaalsContact O-N 3.12Å; R315-Q317 VanDerWaalsContact C-N 3.32Å; R315-Q317 PolarHBondContact O-N 3.02Å |
| 316 | P | 48.2 | Very low | 49.9 | Very low | 135 Ų | 135 | 123.5 Ų | 123.5 | 88% | 0.877 | 73% | 0.729 | S | S | * | * | S | Bend | trans | -65.4 | 89 | -177.6 | 26.5 | -34.9 | 0 | 0 | 0 | 111.6 | | |
| 317 | Q | 45.9 | Very low | 47.9 | Very low | 136 Ų | 136 | 124.2 Ų | 124.2 | 64% | 0.636 | 73% | 0.734 | S | S | * | * | | | trans | -139.5 | 113.1 | 179.4 | -95.8 | -71.5 | 2.9 | 0 | 0 | 108.7 | R315 | R315-Q317 VanDerWaalsContact C-N 3.32Å; R315-Q317 PolarHBondContact O-N 3.02Å |
| 318 | S | 37.6 | Very low | 46.5 | Very low | 80 Ų | 80 | 125.1 Ų | 125.1 | 56% | 0.559 | 75% | 0.747 | S | S | * | * | S | Bend | trans | 50.4 | 102.2 | 142.9 | -60.2 | 0 | 0 | 0 | 0 | 120 | | |
| 319 | F | 42.2 | Very low | 45 | Very low | 156 Ų | 156 | 128.5 Ų | 128.5 | 68% | 0.684 | 76% | 0.76 | S | S | * | * | | | trans | 75.1 | 138.5 | 153.5 | -48 | -72.3 | 0 | 0 | 0 | 120.1 | S321 | F319-S321 PolarHBondContact O-N 2.91Š|
| 320 | P | 45.3 | Very low | 44 | Very low | 124 Ų | 124 | 129.7 Ų | 129.7 | 81% | 0.805 | 77% | 0.767 | S | S | * | * | | | trans | -83.4 | 85.5 | 159.3 | 34.4 | -30.9 | 0 | 0 | 0 | 110.3 | S322 | P320-S322 PolarHBondContact O-N 3.04Š|
| 321 | S | 40.3 | Very low | 43.8 | Very low | 96 Ų | 96 | 132.8 Ų | 132.8 | 67% | 0.671 | 77% | 0.771 | S | S | * | * | | | trans | -75.9 | 104.8 | 170.6 | -72.6 | 0 | 0 | 0 | 0 | 110.7 | F319 T323 | F319-S321 PolarHBondContact O-N 2.91Å; S321-T323 PolarHBondContact O-N 2.73Å; S321-T323 PolarHBondContact O-OG1 3.16Å |
| 322 | S | 43.3 | Very low | 43.2 | Very low | 122 Ų | 122 | 136.2 Ų | 136.2 | 85% | 0.853 | 78% | 0.777 | S | S | * | * | | | trans | -62.6 | 107.3 | 169.8 | -175.1 | 0 | 0 | 0 | 0 | 109.8 | P320 | P320-S322 PolarHBondContact O-N 3.04Š|
| 323 | T | 39.5 | Very low | 42.8 | Very low | 127 Ų | 127 | 138.6 Ų | 138.6 | 78% | 0.779 | 79% | 0.793 | S | S | * | * | | | trans | -122.3 | 64.2 | -176.7 | -38.7 | 0 | 0 | 0 | 0 | 109.8 | S321 A325 | S321-T323 PolarHBondContact O-N 2.73Å; S321-T323 PolarHBondContact O-OG1 3.16Å; T323-A325 PolarHBondContact O-N 3.27Å |
| 324 | A | 40.8 | Very low | 42.4 | Very low | 89 Ų | 89 | 132.9 Ų | 132.9 | 74% | 0.736 | 79% | 0.788 | S | S | * | * | | | trans | -73.9 | 111 | 175.1 | 0 | 0 | 0 | 0 | 0 | 110.3 | | |
| 325 | A | 46.4 | Very low | 42.2 | Very low | 96 Ų | 96 | 133.5 Ų | 133.5 | 79% | 0.793 | 80% | 0.797 | S | S | * | * | | | trans | 3 | 113.6 | 169.9 | 0 | 0 | 0 | 0 | 0 | 118.8 | T323 | T323-A325 PolarHBondContact O-N 3.27Š|
| 326 | L | 39.2 | Very low | 42.2 | Very low | 177 Ų | 177 | 128.7 Ų | 128.7 | 93% | 0.927 | 80% | 0.795 | S | S | * | * | | | trans | -126.4 | 142.6 | 146.8 | -74.2 | 177.7 | 0 | 0 | 0 | 109.3 | | |
| 327 | S | 35.9 | Very low | 41.9 | Very low | 112 Ų | 112 | 133.1 Ų | 133.1 | 78% | 0.783 | 79% | 0.794 | S | S | * | * | | | trans | -68.4 | 144.5 | -173.3 | 53.7 | 0 | 0 | 0 | 0 | 113 | R329 | S327-R329 PolarHBondContact O-N 2.92Š|
| 328 | A | 42.9 | Very low | 42.2 | Very low | 110 Ų | 110 | 135.3 Ų | 135.3 | 91% | 0.909 | 81% | 0.809 | S | S | * | * | | | trans | -56.8 | 130.6 | 170.8 | 0 | 0 | 0 | 0 | 0 | 111.4 | | |
| 329 | R | 35.4 | Very low | 42.2 | Very low | 230 Ų | 230 | 139.1 Ų | 139.1 | 87% | 0.868 | 82% | 0.823 | S | S | * | * | | | trans | -136 | 134.6 | 173.4 | -163 | 173.3 | -169.1 | -133.9 | -1.9 | 108.4 | S327 | S327-R329 PolarHBondContact O-N 2.92Š|
| 330 | P | 40.4 | Very low | 41.9 | Very low | 121 Ų | 121 | 136 Ų | 136 | 79% | 0.786 | 82% | 0.821 | S | S | * | * | | | trans | -69.8 | 158.2 | -164.6 | 25.9 | -35.6 | 0 | 0 | 0 | 114.8 | | |
| 331 | H | 47.4 | Very low | 42.2 | Very low | 190 Ų | 190 | 136.2 Ų | 136.2 | 88% | 0.88 | 82% | 0.822 | S | S | * | * | | | trans | -82 | 111.2 | -172.8 | -55.2 | -102.8 | 0 | 0 | 0 | 113.1 | | |
| 332 | T | 45 | Very low | 42.3 | Very low | 143 Ų | 143 | 141.4 Ų | 141.4 | 88% | 0.877 | 83% | 0.833 | S | S | * | * | | | trans | -162.4 | 80.4 | 155 | 48.1 | 0 | 0 | 0 | 0 | 112.1 | | |
| 333 | A | 39.1 | Very low | 42.4 | Very low | 96 Ų | 96 | 139.2 Ų | 139.2 | 79% | 0.793 | 83% | 0.829 | S | S | * | * | | | trans | -177.4 | 146.2 | 156.4 | 0 | 0 | 0 | 0 | 0 | 111.5 | | |
| 334 | P | 44.1 | Very low | 42.6 | Very low | 128 Ų | 128 | 141.4 Ų | 141.4 | 83% | 0.831 | 84% | 0.835 | S | S | * | * | | | trans | -84.5 | 147.1 | 174.6 | 33.8 | -34.2 | 0 | 0 | 0 | 112.6 | | |
| 335 | S | 42.8 | Very low | 43.1 | Very low | 132 Ų | 132 | 148.3 Ų | 148.3 | 92% | 0.923 | 84% | 0.842 | S | S | * | * | | | trans | -81.6 | 117.4 | 175.8 | 177.4 | 0 | 0 | 0 | 0 | 111.6 | | |
| 336 | S | 45.4 | Very low | 42.8 | Very low | 103 Ų | 103 | 153 Ų | 153 | 72% | 0.72 | 85% | 0.847 | S | S | * | * | | | trans | -154.2 | 160.2 | 170.2 | -169.2 | 0 | 0 | 0 | 0 | 112 | | |
| 337 | R | 41.6 | Very low | 42.6 | Very low | 227 Ų | 227 | 148.1 Ų | 148.1 | 86% | 0.857 | 84% | 0.84 | S | S | * | * | | | trans | 71.7 | 89.1 | 177.7 | -55.3 | -170.9 | -179 | -82 | -3.4 | 116.5 | | |
| 338 | L | 52.3 | Low | 43.2 | Very low | 183 Ų | 183 | 148.5 Ų | 148.5 | 96% | 0.958 | 84% | 0.843 | S | S | * | * | | | trans | -8.4 | 129.8 | 138.3 | -55.3 | 169.2 | 0 | 0 | 0 | 115 | | |
| 339 | N | 36.5 | Very low | 43 | Very low | 160 Ų | 160 | 155.1 Ų | 155.1 | 86% | 0.856 | 84% | 0.844 | S | S | * | * | | | trans | -129.9 | 130.8 | 158.9 | -165.8 | -0.8 | 0 | 0 | 0 | 109.7 | | |
| 340 | S | 36.9 | Very low | 43.4 | Very low | 91 Ų | 91 | 148 Ų | 148 | 64% | 0.636 | 83% | 0.834 | S | S | * | * | | | trans | -116.4 | 127.6 | 179 | 179.7 | 0 | 0 | 0 | 0 | 108.4 | K342 | S340-K342 PolarHBondContact O-N 3.06Š|
| 341 | P | 51.8 | Low | 43.5 | Very low | 128 Ų | 128 | 152.2 Ų | 152.2 | 83% | 0.831 | 84% | 0.841 | S | S | * | * | | | trans | -67.6 | 103.5 | -174.8 | 27.1 | -33.8 | 0 | 0 | 0 | 110.9 | G343 | P341-G343 PolarHBondContact O-N 3.29Š|
| 342 | K | 42.8 | Very low | 44.1 | Very low | 205 Ų | 205 | 147.1 Ų | 147.1 | 89% | 0.891 | 83% | 0.825 | S | S | * | * | P | Polyproline II helix | trans | -71.2 | 124.3 | 172.6 | -65.8 | 179.6 | -179.5 | 178.7 | 0 | 109.1 | S340 | S340-K342 PolarHBondContact O-N 3.06Š|
| 343 | G | 43.5 | Very low | 43.8 | Very low | 76 Ų | 76 | 150.6 Ų | 150.6 | 78% | 0.784 | 83% | 0.828 | S | S | * | * | P | Polyproline II helix | trans | -71 | 140.8 | 177.3 | 0 | 0 | 0 | 0 | 0 | 112.5 | P341 | P341-G343 PolarHBondContact O-N 3.29Š|
| 344 | L | 45 | Very low | 43.9 | Very low | 172 Ų | 172 | 151.8 Ų | 151.8 | 90% | 0.901 | 83% | 0.826 | S | S | * | * | P | Polyproline II helix | trans | -94 | 128.3 | 174.6 | -171.4 | 63.8 | 0 | 0 | 0 | 109.9 | | |
| 345 | R | 50.5 | Low | 44.7 | Very low | 234 Ų | 234 | 151 Ų | 151 | 88% | 0.883 | 82% | 0.82 | S | S | * | * | | | trans | -130.8 | 100.2 | -178.5 | -83.1 | -82.6 | -137.6 | -120.7 | 0.7 | 110.2 | | |
| 346 | H | 39.7 | Very low | 44.3 | Very low | 195 Ų | 195 | 151.5 Ų | 151.5 | 90% | 0.903 | 82% | 0.817 | S | S | * | * | | | trans | -158.9 | 140.6 | 161 | -94.6 | -88.6 | 0 | 0 | 0 | 106.7 | | |
| 347 | G | 36.3 | Very low | 43.7 | Very low | 75 Ų | 75 | 152.5 Ų | 152.5 | 77% | 0.773 | 82% | 0.815 | S | S | * | * | | | cis | -153.9 | 173.7 | -5.8 | 0 | 0 | 0 | 0 | 0 | 110.8 | | |
| 348 | S | 48.8 | Very low | 43.2 | Very low | 120 Ų | 120 | 148.6 Ų | 148.6 | 84% | 0.839 | 81% | 0.811 | S | S | * | * | | | trans | -89.6 | 142.5 | -170 | 53.4 | 0 | 0 | 0 | 0 | 114.9 | | |
| 349 | R | 37.6 | Very low | 43.1 | Very low | 249 Ų | 249 | 144.6 Ų | 144.6 | 94% | 0.94 | 80% | 0.796 | S | S | * | * | | | trans | -149.2 | 145.6 | 136.6 | -158.4 | 170.9 | -67.8 | -116.6 | 3.3 | 109.3 | | |
| 350 | A | 43.8 | Very low | 43.5 | Very low | 80 Ų | 80 | 143 Ų | 143 | 66% | 0.661 | 80% | 0.795 | S | S | * | * | | | trans | -132.6 | 160.7 | 179.8 | 0 | 0 | 0 | 0 | 0 | 109.8 | | |
| 351 | F | 42.1 | Very low | 43.2 | Very low | 210 Ų | 210 | 143.7 Ų | 143.7 | 92% | 0.921 | 80% | 0.799 | S | S | * | * | | | trans | -175.4 | 166.4 | 133.5 | -92.5 | -45.3 | 0 | 0 | 0 | 110 | | |
| 352 | P | 60.9 | Low | 43.1 | Very low | 83 Ų | 83 | 144.1 Ų | 144.1 | 54% | 0.539 | 80% | 0.802 | S | S | . | * | | | trans | -130.5 | -179.9 | -137.6 | 42.6 | -26.1 | 0 | 0 | 0 | 114.7 | T354 | P352-T354 HydrophobicContact CB-CG2 4.41Š|
| 353 | F | 39 | Very low | 42.7 | Very low | 216 Ų | 216 | 138.8 Ų | 138.8 | 95% | 0.947 | 80% | 0.796 | S | S | * | * | | | trans | -135.9 | 153.1 | 142.4 | -84.2 | -72.3 | 0 | 0 | 0 | 110.2 | | |
| 354 | T | 40.1 | Very low | 42.5 | Very low | 121 Ų | 121 | 140.8 Ų | 140.8 | 74% | 0.742 | 80% | 0.798 | S | S | * | * | | | trans | -127.2 | -161.3 | -165.9 | 64.3 | 0 | 0 | 0 | 0 | 110.2 | P352 | P352-T354 HydrophobicContact CB-CG2 4.41Š|
| 355 | P | 61.1 | Low | 42.3 | Very low | 111 Ų | 111 | 137.8 Ų | 137.8 | 72% | 0.721 | 80% | 0.798 | S | S | * | * | | | | -130 | 157.9 | -120.1 | 34.4 | -12.4 | 0 | 0 | 0 | 117.4 | | |
| 356 | V | 34.1 | Very low | 42 | Very low | 142 Ų | 142 | 135.4 Ų | 135.4 | 86% | 0.861 | 80% | 0.797 | S | S | * | * | | | trans | -142.8 | 99.5 | 158.7 | -173.2 | 0 | 0 | 0 | 0 | 106.5 | | |
| 357 | N | 33.3 | Very low | 41.9 | Very low | 125 Ų | 125 | 134.8 Ų | 134.8 | 67% | 0.668 | 79% | 0.794 | S | S | * | * | | | | 78.6 | 92 | 70.7 | -172.6 | 30.6 | 0 | 0 | 0 | 115 | | |
| 358 | N | 31.4 | Very low | 41.9 | Very low | 144 Ų | 144 | 140.1 Ų | 140.1 | 77% | 0.77 | 80% | 0.799 | S | S | * | * | | | | -169.8 | 159 | 121.9 | -104.4 | -58.1 | 0 | 0 | 0 | 111.2 | | |
| 359 | P | 50.8 | Low | 41.6 | Very low | 100 Ų | 100 | 142.2 Ų | 142.2 | 65% | 0.649 | 80% | 0.8 | S | S | * | * | P | Polyproline II helix | trans | -99.2 | 155.8 | -170.3 | 37.5 | -34.6 | 0 | 0 | 0 | 114.6 | | |
| 360 | P | 43.3 | Very low | 42.1 | Very low | 127 Ų | 127 | 135.6 Ų | 135.6 | 83% | 0.825 | 79% | 0.792 | S | S | * | * | P | Polyproline II helix | trans | -96.7 | 120.4 | 160.9 | 33.7 | -27.3 | 0 | 0 | 0 | 112 | | |
| 361 | S | 31.9 | Very low | 42.4 | Very low | 105 Ų | 105 | 143 Ų | 143 | 73% | 0.734 | 80% | 0.803 | S | S | * | * | P | Polyproline II helix | trans | -70.7 | 161.8 | 169.2 | -76.4 | 0 | 0 | 0 | 0 | 112.4 | A363 | S361-A363 PolarHBondContact O-N 3.1Å; S361-A363 VanDerWaalsContact O-N 3.14Å |
| 362 | P | 48.5 | Very low | 42.8 | Very low | 137 Ų | 137 | 141.1 Ų | 141.1 | 89% | 0.89 | 79% | 0.794 | S | S | * | * | S | Bend | trans | -83.6 | 96.9 | -158 | 31.8 | -36.1 | 0 | 0 | 0 | 114.4 | | |
| 363 | A | 35.9 | Very low | 42.7 | Very low | 92 Ų | 92 | 142.9 Ų | 142.9 | 76% | 0.76 | 81% | 0.806 | S | S | * | * | | | trans | -148.8 | 48 | 177.5 | 0 | 0 | 0 | 0 | 0 | 115.1 | S361 | S361-A363 PolarHBondContact O-N 3.1Å; S361-A363 VanDerWaalsContact O-N 3.14Å |
| 364 | S | 37.3 | Very low | 44 | Very low | 118 Ų | 118 | 135.9 Ų | 135.9 | 83% | 0.825 | 78% | 0.781 | S | S | * | * | | | trans | -154.7 | 34.8 | 175.7 | -81.9 | 0 | 0 | 0 | 0 | 115.4 | Q366 | S364-Q366 PolarHBondContact O-N 3.41Š|
| 365 | A | 42.8 | Very low | 45.5 | Very low | 109 Ų | 109 | 132.5 Ų | 132.5 | 90% | 0.901 | 76% | 0.761 | S | S | * | * | | | trans | -96.1 | 38.5 | -174.5 | 0 | 0 | 0 | 0 | 0 | 115 | | |
| 366 | Q | 42.7 | Very low | 45.6 | Very low | 185 Ų | 185 | 132 Ų | 132 | 86% | 0.864 | 76% | 0.758 | S | S | * | * | S | Bend | trans | -150.1 | 9.8 | -175.5 | -134.6 | 178.3 | -2.4 | 0 | 0 | 120.3 | S364 | S364-Q366 PolarHBondContact O-N 3.41Š|
| 367 | Q | 37.9 | Very low | 46.9 | Very low | 182 Ų | 182 | 130.4 Ų | 130.4 | 85% | 0.85 | 74% | 0.741 | S | S | * | * | | | trans | -129 | 15.7 | 179 | -68.7 | -163.4 | -6.4 | 0 | 0 | 116.6 | L369 | Q367-L369 PolarHBondContact O-N 3.42Š|
| 368 | Q | 37.4 | Very low | 48.6 | Very low | 187 Ų | 187 | 124.5 Ų | 124.5 | 87% | 0.874 | 71% | 0.709 | S | S | * | * | | | trans | -94.8 | 48.6 | -179.2 | -71.7 | -70.9 | -14.7 | 0 | 0 | 113.6 | | |
| 369 | L | 42.5 | Very low | 50.3 | Low | 164 Ų | 164 | 122.6 Ų | 122.6 | 86% | 0.859 | 70% | 0.696 | S | S | * | * | S | Bend | trans | -133 | -1.8 | -171.3 | -93.8 | 170.3 | 0 | 0 | 0 | 117.5 | Q367 | Q367-L369 PolarHBondContact O-N 3.42Š|
| 370 | S | 47.3 | Very low | 51.3 | Low | 109 Ų | 109 | 125.7 Ų | 125.7 | 76% | 0.762 | 70% | 0.703 | S | S | * | * | S | Bend | trans | -126.5 | 19.6 | -169 | 58.7 | 0 | 0 | 0 | 0 | 116.2 | | |
| 371 | R | 49.6 | Very low | 52.3 | Low | 236 Ų | 236 | 126.3 Ų | 126.3 | 89% | 0.891 | 69% | 0.689 | S | S | * | * | | | trans | -134.7 | 69 | 176.7 | -70.2 | -169.5 | 179.6 | 174 | 2.3 | 114.3 | | |
| 372 | F | 51.3 | Low | 53.8 | Low | 171 Ų | 171 | 128.5 Ų | 128.5 | 75% | 0.75 | 68% | 0.682 | S | S | * | * | S | Bend | trans | -118.1 | 143 | 155.2 | -74.6 | -78.4 | 0 | 0 | 0 | 109.5 | V374 | F372-V374 PolarHBondContact O-N 3.02Å; F372-V374 VanDerWaalsContact O-N 3.17Å |
| 373 | P | 58.8 | Low | 54.5 | Low | 120 Ų | 120 | 127 Ų | 127 | 78% | 0.779 | 67% | 0.673 | S | S | * | * | P | Polyproline II helix | trans | -66.1 | 116.2 | 179.7 | 26.8 | -33.3 | 0 | 0 | 0 | 110.1 | C375 | P373-C375 PolarHBondContact O-N 3.01Š|
| 374 | V | 66.1 | Low | 55.8 | Low | 69 Ų | 69 | 130.4 Ų | 130.4 | 42% | 0.418 | 68% | 0.677 | S | S | . | * | P | Polyproline II helix | trans | -60.4 | 124.8 | -179.4 | -179 | 0 | 0 | 0 | 0 | 109.6 | F372 P376 H379 | F372-V374 PolarHBondContact O-N 3.02Å; F372-V374 VanDerWaalsContact O-N 3.17Å; V374-P376 WeakPolarHBondContact O-CD 3.08Å; V374-H379 HydrophobicContact CG1-CB 3.91Å |
| 375 | C | 71.3 | Confident | 57.1 | Low | 49 Ų | 49 | 126.5 Ų | 126.5 | 33% | 0.331 | 65% | 0.65 | S | S | . | * | P | Polyproline II helix | trans | -63 | 120.5 | 177.1 | 179.3 | 0 | 0 | 0 | 0 | 110.2 | P373 H377 C378 H379 C389 | P373-C375 PolarHBondContact O-N 3.01Å; C375-H377 PolarHBondContact O-N 3.22Å; C375-C378 HydrophobicContact CB-CB 4.32Å; C375-C378 VanDerWaalsContact CB-SG 3.59Å; C375-C378 PolarHBondContact O-N 2.78Å; C375-C378 VanDerWaalsContact SG-SG 3.66Å; C375-H379 PolarHBondContact O-N 3.17Å; C375-C389 HydrophobicContact CB-CB 4.19Å |
| 376 | P | 63.3 | Low | 58 | Low | 100 Ų | 100 | 128.5 Ų | 128.5 | 65% | 0.649 | 65% | 0.645 | S | S | * | * | H | α-helix | trans | -63 | -31 | -172.7 | 23.5 | -33.7 | 0 | 0 | 0 | 112.5 | V374 C378 M380 | V374-P376 WeakPolarHBondContact O-CD 3.08Å; P376-C378 VanDerWaalsContact C-N 3.3Å; P376-C378 PolarHBondContact O-N 3.2Å; P376-M380 WeakPolarHBondContact O-CB 3.36Å; P376-M380 WeakPolarHBondContact O-CG 3.22Å; P376-M380 PolarHBondContact O-N 3.49Å; P376-M380 VanDerWaalsContact O-N 3.1Å |
| 377 | H | 61.6 | Low | 58.9 | Low | 109 Ų | 109 | 120.2 Ų | 120.2 | 51% | 0.505 | 61% | 0.61 | S | S | . | * | H | α-helix | trans | -68.7 | -27.3 | 177.4 | -162.3 | 86.7 | 0 | 0 | 0 | 113.5 | C375 R381 | C375-H377 PolarHBondContact O-N 3.22Å; H377-R381 PolarHBondContact CE1-NH2 3.11Å; H377-R381 PolarHBondContact NE2-NE 3.26Å; H377-R381 PolarHBondContact NE2-NH2 3.47Å |
| 378 | C | 67.9 | Low | 60.1 | Low | 1 Ų | 1 | 116.7 Ų | 116.7 | 1% | 0.007 | 61% | 0.605 | C | S | . | * | H | α-helix | trans | -81.1 | -45.8 | 178.1 | -47.7 | 0 | 0 | 0 | 0 | 110.5 | C375 P376 M380 R381 Y382 C389 Y394 | C375-C378 HydrophobicContact CB-CB 4.32Å; C375-C378 VanDerWaalsContact CB-SG 3.59Å; C375-C378 PolarHBondContact O-N 2.78Å; C375-C378 VanDerWaalsContact SG-SG 3.66Å; P376-C378 VanDerWaalsContact C-N 3.3Å; P376-C378 PolarHBondContact O-N 3.2Å; C378-M380 VanDerWaalsContact C-N 3.34Å; C378-M380 PolarHBondContact O-N 3.39Å; C378-R381 PolarHBondContact O-N 2.93Å; C378-R381 VanDerWaalsContact O-N 3.16Å; C378-Y382 PolarHBondContact O-N 2.04Å; C378-C389 HydrophobicContact CB-CB 3.82Å; C378-C389 WeakPolarHBondContact CB-SG 3.05Å; C378-C389 WeakPolarHBondContact SG-CB 3.29Å; C378-C389 CovalentContact SG-SG 2.04Å; C378-C389 PolarHBondContact SG-SG 3.29Å; C378-Y394 PolarHBondContact SG-OH 2.92Å |
| 379 | H | 68.9 | Low | 61.4 | Low | 105 Ų | 105 | 109.3 Ų | 109.3 | 49% | 0.486 | 57% | 0.574 | S | S | . | * | H | α-helix | trans | -61.3 | -38.8 | 178.2 | -169 | -89.8 | 0 | 0 | 0 | 112.9 | V374 C375 R381 | V374-H379 HydrophobicContact CG1-CB 3.91Å; C375-H379 PolarHBondContact O-N 3.17Å; H379-R381 PolarHBondContact O-N 3.2Å |
| 380 | M | 70.2 | Confident | 62.2 | Low | 165 Ų | 165 | 104.9 Ų | 104.9 | 81% | 0.813 | 56% | 0.556 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -63.2 | -22.5 | 176.6 | -74.7 | -83.4 | -72.9 | 0 | 0 | 114.3 | P376 C378 | P376-M380 WeakPolarHBondContact O-CB 3.36Å; P376-M380 WeakPolarHBondContact O-CG 3.22Å; P376-M380 PolarHBondContact O-N 3.49Å; P376-M380 VanDerWaalsContact O-N 3.1Å; C378-M380 VanDerWaalsContact C-N 3.34Å; C378-M380 PolarHBondContact O-N 3.39Å |
| 381 | R | 64.3 | Low | 62.5 | Low | 139 Ų | 139 | 104 Ų | 104 | 53% | 0.525 | 56% | 0.556 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -106.2 | -31 | -179.5 | -63.9 | -174.6 | -171 | -115.8 | 5.2 | 113.4 | H377 C378 H379 | H377-R381 PolarHBondContact CE1-NH2 3.11Å; H377-R381 PolarHBondContact NE2-NE 3.26Å; H377-R381 PolarHBondContact NE2-NH2 3.47Å; C378-R381 PolarHBondContact O-N 2.93Å; C378-R381 VanDerWaalsContact O-N 3.16Å; H379-R381 PolarHBondContact O-N 3.2Å |
| 382 | Y | 63.7 | Low | 62.6 | Low | 151 Ų | 151 | 100.8 Ų | 100.8 | 59% | 0.592 | 55% | 0.545 | S | S | * | . | | | trans | -139.4 | 95.4 | -175.4 | -61.6 | -72.8 | 0 | 0 | 0 | 109.8 | C378 L384 C385 | C378-Y382 PolarHBondContact O-N 2.04Å; Y382-L384 PolarHBondContact O-N 3.01Å; Y382-C385 VanDerWaalsContact O-CB 3.22Å; Y382-C385 WeakPolarHBondContact O-CB 3.45Å; Y382-C385 PolarHBondContact O-N 3.32Å |
| 383 | P | 64.3 | Low | 62.7 | Low | 106 Ų | 106 | 94.3 Ų | 94.3 | 69% | 0.688 | 52% | 0.523 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.6 | -19.6 | -178.8 | -27 | 36.1 | 0 | 0 | 0 | 114.8 | C385 | P383-C385 VanDerWaalsContact C-N 3.35Š|
| 384 | L | 63.5 | Low | 62.4 | Low | 163 Ų | 163 | 92.3 Ų | 92.3 | 85% | 0.853 | 50% | 0.501 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -90.3 | 8 | 178.1 | -55 | 177.7 | 0 | 0 | 0 | 113.4 | Y382 N386 | Y382-L384 PolarHBondContact O-N 3.01Å; L384-N386 PolarHBondContact O-N 3.03Å |
| 385 | C | 63.6 | Low | 61.8 | Low | 36 Ų | 36 | 95.6 Ų | 95.6 | 24% | 0.243 | 51% | 0.512 | C | S | . | . | | | trans | -82.7 | 103.6 | -179.4 | -171.9 | 0 | 0 | 0 | 0 | 111.3 | Y382 P383 G387 | Y382-C385 VanDerWaalsContact O-CB 3.22Å; Y382-C385 WeakPolarHBondContact O-CB 3.45Å; Y382-C385 PolarHBondContact O-N 3.32Å; P383-C385 VanDerWaalsContact C-N 3.35Å; C385-G387 PolarHBondContact O-N 3.28Å |
| 386 | N | 61.5 | Low | 60.6 | Low | 151 Ų | 151 | 102.5 Ų | 102.5 | 81% | 0.807 | 53% | 0.531 | S | S | * | . | | | trans | -69.4 | 39.7 | -177.7 | -69.4 | -21.9 | 0 | 0 | 0 | 115.5 | L384 S388 | L384-N386 PolarHBondContact O-N 3.03Å; N386-S388 PolarHBondContact O-N 2.8Å |
| 387 | G | 61.1 | Low | 59.8 | Low | 12 Ų | 12 | 103.5 Ų | 103.5 | 12% | 0.124 | 53% | 0.526 | C | S | . | . | S | Bend | trans | 73.4 | -21.1 | 167.6 | 0 | 0 | 0 | 0 | 0 | 117.7 | C385 C389 | C385-G387 PolarHBondContact O-N 3.28Å; G387-C389 PolarHBondContact O-N 3.25Å |
| 388 | S | 63.5 | Low | 59.2 | Low | 107 Ų | 107 | 103.1 Ų | 103.1 | 75% | 0.748 | 54% | 0.536 | S | S | * | . | | | trans | -70.8 | 31.4 | 179.9 | 54.6 | 0 | 0 | 0 | 0 | 114.7 | N386 S390 | N386-S388 PolarHBondContact O-N 2.8Å; S388-S390 PolarHBondContact O-N 2.89Å |
| 389 | C | 64.9 | Low | 58.2 | Low | 32 Ų | 32 | 113.5 Ų | 113.5 | 22% | 0.216 | 58% | 0.575 | C | S | . | * | | | trans | -77.8 | 74.7 | -169.5 | -161.1 | 0 | 0 | 0 | 0 | 112.1 | C375 C378 G387 Y394 | C375-C389 HydrophobicContact CB-CB 4.19Å; C378-C389 HydrophobicContact CB-CB 3.82Å; C378-C389 WeakPolarHBondContact CB-SG 3.05Å; C378-C389 WeakPolarHBondContact SG-CB 3.29Å; C378-C389 CovalentContact SG-SG 2.04Å; C378-C389 PolarHBondContact SG-SG 3.29Å; G387-C389 PolarHBondContact O-N 3.25Å; C389-Y394 WeakPolarHBondContact SG-CE2 3.1Å; C389-Y394 PolarHBondContact SG-OH 3.38Å |
| 390 | S | 60.4 | Low | 56.9 | Low | 71 Ų | 71 | 116 Ų | 116 | 50% | 0.497 | 59% | 0.591 | S | S | . | * | | | trans | -67.3 | 136 | 175.8 | 77 | 0 | 0 | 0 | 0 | 111.3 | S388 Y392 A393 | S388-S390 PolarHBondContact O-N 2.89Å; S390-Y392 PolarHBondContact O-N 3.33Å; S390-A393 WeakPolarHBondContact O-CB 3.49Å; S390-A393 PolarHBondContact O-N 3.08Å; S390-A393 VanDerWaalsContact O-N 3.08Å |
| 391 | A | 53.2 | Low | 55.3 | Low | 92 Ų | 92 | 113.3 Ų | 113.3 | 76% | 0.76 | 59% | 0.588 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -59.2 | -23 | -175.2 | 0 | 0 | 0 | 0 | 0 | 113.9 | | |
| 392 | Y | 50.9 | Low | 54.5 | Low | 168 Ų | 168 | 112.8 Ų | 112.8 | 66% | 0.659 | 60% | 0.603 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -75.2 | -24.2 | -179.8 | -158.6 | -113.3 | 0 | 0 | 0 | 113.6 | S390 Y394 Q395 | S390-Y392 PolarHBondContact O-N 3.33Å; Y392-Y394 PolarHBondContact O-N 3.03Å; Y392-Q395 PolarHBondContact O-N 3.44Å |
| 393 | A | 54 | Low | 53.2 | Low | 35 Ų | 35 | 113.9 Ų | 113.9 | 29% | 0.289 | 62% | 0.619 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -63.8 | -40.6 | -179.8 | 0 | 0 | 0 | 0 | 0 | 112.2 | S390 Q395 R396 H397 | S390-A393 WeakPolarHBondContact O-CB 3.49Å; S390-A393 PolarHBondContact O-N 3.08Å; S390-A393 VanDerWaalsContact O-N 3.08Å; A393-Q395 PolarHBondContact O-N 3.14Å; A393-Q395 VanDerWaalsContact O-N 3.12Å; A393-R396 PolarHBondContact O-N 3.13Å; A393-H397 PolarHBondContact O-CD2 3.44Å; A393-H397 PolarHBondContact O-N 3.46Å |
| 394 | Y | 52.8 | Low | 52.4 | Low | 78 Ų | 78 | 117.2 Ų | 117.2 | 31% | 0.306 | 63% | 0.629 | S | S | . | * | H | α-helix | trans | -57.1 | -30.6 | -178.2 | -80.3 | -67.6 | 0 | 0 | 0 | 114.5 | C378 C389 Y392 R396 H397 S398 | C378-Y394 PolarHBondContact SG-OH 2.92Å; C389-Y394 WeakPolarHBondContact SG-CE2 3.1Å; C389-Y394 PolarHBondContact SG-OH 3.38Å; Y392-Y394 PolarHBondContact O-N 3.03Å; Y394-R396 VanDerWaalsContact C-N 3.29Å; Y394-R396 PolarHBondContact O-N 3.21Å; Y394-H397 PolarHBondContact O-N 3.36Å; Y394-S398 PolarHBondContact O-N 3Å; Y394-S398 PolarHBondContact O-OG 3.08Å; Y394-S398 VanDerWaalsContact O-OG 3.08Å |
| 395 | Q | 52 | Low | 51.3 | Low | 138 Ų | 138 | 117.3 Ų | 117.3 | 65% | 0.645 | 63% | 0.626 | S | S | * | * | H | α-helix | trans | -72.2 | -22.1 | 179.8 | -163.7 | 173.2 | 8 | 0 | 0 | 112.9 | Y392 A393 | Y392-Q395 PolarHBondContact O-N 3.44Å; A393-Q395 PolarHBondContact O-N 3.14Å; A393-Q395 VanDerWaalsContact O-N 3.12Å |
| 396 | R | 46.3 | Very low | 50 | Low | 193 Ų | 193 | 126.1 Ų | 126.1 | 73% | 0.728 | 65% | 0.654 | S | S | * | * | H | α-helix | trans | -83.2 | -39.3 | 173 | -69.5 | -70.5 | -170.7 | 157.3 | 2.9 | 112.2 | A393 Y394 | A393-R396 PolarHBondContact O-N 3.13Å; Y394-R396 VanDerWaalsContact C-N 3.29Å; Y394-R396 PolarHBondContact O-N 3.21Å |
| 397 | H | 47.3 | Very low | 48.9 | Very low | 122 Ų | 122 | 130.7 Ų | 130.7 | 57% | 0.565 | 66% | 0.66 | S | S | * | * | H | α-helix | trans | -77.6 | -27.4 | -174.3 | -54.6 | -48.6 | 0 | 0 | 0 | 113.5 | A393 Y394 R399 | A393-H397 PolarHBondContact O-CD2 3.44Å; A393-H397 PolarHBondContact O-N 3.46Å; Y394-H397 PolarHBondContact O-N 3.36Å; H397-R399 PolarHBondContact O-N 3.12Å; H397-R399 VanDerWaalsContact O-N 3.13Å |
| 398 | S | 49.9 | Very low | 47.6 | Very low | 101 Ų | 101 | 134.6 Ų | 134.6 | 71% | 0.706 | 69% | 0.691 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -78.1 | 15.5 | 174.8 | -51 | 0 | 0 | 0 | 0 | 114.2 | Y394 | Y394-S398 PolarHBondContact O-N 3Å; Y394-S398 PolarHBondContact O-OG 3.08Å; Y394-S398 VanDerWaalsContact O-OG 3.08Å |
| 399 | R | 46 | Very low | 46.3 | Very low | 219 Ų | 219 | 140.8 Ų | 140.8 | 83% | 0.826 | 70% | 0.698 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -130.2 | 30.4 | 177.2 | -78.1 | -164.3 | 168.8 | -139.8 | -2 | 113.5 | H397 S401 | H397-R399 PolarHBondContact O-N 3.12Å; H397-R399 VanDerWaalsContact O-N 3.13Å; R399-S401 PolarHBondContact O-N 3.46Å; R399-S401 VanDerWaalsContact O-N 3.17Å |
| 400 | L | 40.8 | Very low | 45.1 | Very low | 156 Ų | 156 | 145.2 Ų | 145.2 | 82% | 0.817 | 73% | 0.726 | S | S | * | * | | | trans | -79.1 | 88.8 | 165.9 | -66.9 | 177.3 | 0 | 0 | 0 | 110 | | |
| 401 | S | 36.6 | Very low | 44 | Very low | 109 Ų | 109 | 145.7 Ų | 145.7 | 76% | 0.762 | 74% | 0.742 | S | S | * | * | | | trans | -96.8 | 144.4 | 159.7 | -62.4 | 0 | 0 | 0 | 0 | 109.3 | R399 L403 | R399-S401 PolarHBondContact O-N 3.46Å; R399-S401 VanDerWaalsContact O-N 3.17Å; S401-L403 PolarHBondContact O-N 3.46Å |
| 402 | P | 48.6 | Very low | 43.1 | Very low | 128 Ų | 128 | 146.5 Ų | 146.5 | 83% | 0.831 | 75% | 0.749 | S | S | * | * | | | trans | -82.2 | 117.8 | -169.8 | 31.3 | -34 | 0 | 0 | 0 | 112.3 | | |
| 403 | L | 36.2 | Very low | 42.3 | Very low | 175 Ų | 175 | 142.9 Ų | 142.9 | 92% | 0.916 | 75% | 0.754 | S | S | * | * | | | trans | -131.8 | 133.5 | 154.2 | -88.8 | 173.1 | 0 | 0 | 0 | 109 | S401 | S401-L403 PolarHBondContact O-N 3.46Š|
| 404 | L | 47.1 | Very low | 41.8 | Very low | 175 Ų | 175 | 146.3 Ų | 146.3 | 92% | 0.916 | 78% | 0.782 | S | S | * | * | | | trans | -76.3 | 118.8 | 175.4 | -68.4 | 165.8 | 0 | 0 | 0 | 108.9 | | |
| 405 | E | 40.2 | Very low | 41.5 | Very low | 166 Ų | 166 | 151.4 Ų | 151.4 | 78% | 0.776 | 81% | 0.806 | S | S | * | * | | | trans | -147.4 | 123.7 | 156.6 | -129.2 | 175 | 160.5 | 0 | 0 | 116.6 | | |
| 406 | R | 37.6 | Very low | 40.9 | Very low | 221 Ų | 221 | 156.4 Ų | 156.4 | 83% | 0.834 | 82% | 0.819 | S | S | * | * | | | trans | 39.7 | 93.7 | 150.8 | -68.3 | 171 | -172.7 | -105.4 | -3.2 | 118.6 | | |
| 407 | R | 37.8 | Very low | 40.3 | Very low | 246 Ų | 246 | 151.9 Ų | 151.9 | 93% | 0.928 | 82% | 0.817 | S | S | * | * | | | trans | -37.3 | 130.8 | 147.4 | -175 | -174.9 | -157.2 | 170.3 | 7.3 | 112.8 | | |
| 408 | A | 33.3 | Very low | 39.8 | Very low | 94 Ų | 94 | 150.8 Ų | 150.8 | 78% | 0.777 | 82% | 0.823 | S | S | * | * | | | trans | -126.5 | 145.5 | 161 | 0 | 0 | 0 | 0 | 0 | 109.7 | | |
| 409 | R | 36.8 | Very low | 39.2 | Very low | 238 Ų | 238 | 150.7 Ų | 150.7 | 90% | 0.898 | 82% | 0.822 | S | S | * | * | | | trans | -86.6 | 148.1 | 176.9 | -112.3 | -169.9 | 172.9 | -130 | 3 | 110.5 | | |
| 410 | P | 40.1 | Very low | 38.7 | Very low | 124 Ų | 124 | 148.3 Ų | 148.3 | 81% | 0.805 | 82% | 0.82 | S | S | * | * | | | trans | -77.5 | 138.2 | 171.8 | 31.8 | -33 | 0 | 0 | 0 | 111.2 | | |
| 411 | G | 36.8 | Very low | 38.6 | Very low | 82 Ų | 82 | 146.4 Ų | 146.4 | 85% | 0.845 | 82% | 0.815 | S | S | * | * | | | trans | 148.8 | 72.3 | 170.2 | 0 | 0 | 0 | 0 | 0 | 116.5 | | |
| 412 | A | 33.4 | Very low | 38.7 | Very low | 108 Ų | 108 | 152.4 Ų | 152.4 | 89% | 0.893 | 82% | 0.821 | S | S | * | * | | | trans | -160.3 | 151.1 | 159 | 0 | 0 | 0 | 0 | 0 | 110.1 | | |
| 413 | A | 34.8 | Very low | 38.2 | Very low | 92 Ų | 92 | 150.6 Ų | 150.6 | 76% | 0.76 | 82% | 0.817 | S | S | * | * | | | trans | -91.4 | 138.2 | -176.3 | 0 | 0 | 0 | 0 | 0 | 112.9 | | |
| 414 | A | 43.7 | Very low | 38 | Very low | 107 Ų | 107 | 147.4 Ų | 147.4 | 88% | 0.884 | 82% | 0.816 | S | S | * | * | | | trans | -76.7 | 122 | 172.5 | 0 | 0 | 0 | 0 | 0 | 111.2 | | |
| 415 | K | 46.1 | Very low | 37.2 | Very low | 185 Ų | 185 | 145.2 Ų | 145.2 | 80% | 0.804 | 82% | 0.815 | S | S | * | * | | | trans | -139.8 | 112.9 | 172 | -82.6 | -171.7 | 175.8 | 179.6 | 0 | 111.6 | | |
| 416 | R | 39 | Very low | 37.1 | Very low | 244 Ų | 244 | 142.2 Ų | 142.2 | 92% | 0.921 | 81% | 0.813 | S | S | * | * | | | trans | 64.7 | 171.5 | 160.4 | -56.2 | 176.5 | 152.6 | -168.3 | -10.2 | 114 | | |
| 417 | S | 34.9 | Very low | 37.2 | Very low | 98 Ų | 98 | 140.7 Ų | 140.7 | 69% | 0.685 | 82% | 0.815 | S | S | * | * | | | cis | -146.3 | 174 | -1.7 | -143.4 | 0 | 0 | 0 | 0 | 112.6 | | |
| 418 | S | 35.8 | Very low | 37 | Very low | 99 Ų | 99 | 132.3 Ų | 132.3 | 69% | 0.692 | 81% | 0.805 | S | S | * | * | | | trans | -26.2 | 165.5 | 150.8 | -2.6 | 0 | 0 | 0 | 0 | 117.4 | | |
| 419 | S | 37 | Very low | 37 | Very low | 98 Ų | 98 | 139.4 Ų | 139.4 | 69% | 0.685 | 81% | 0.812 | S | S | * | * | | | cis | -177.2 | 178.9 | -12.5 | 41.7 | 0 | 0 | 0 | 0 | 110.3 | | |
| 420 | E | 36.8 | Very low | 37 | Very low | 170 Ų | 170 | 133.2 Ų | 133.2 | 79% | 0.794 | 81% | 0.805 | S | S | * | * | | | trans | 84.6 | 102 | 142.6 | -140.2 | 160.7 | 151.3 | 0 | 0 | 123.1 | | |
| 421 | T | 38.9 | Very low | 37.6 | Very low | 115 Ų | 115 | 133.5 Ų | 133.5 | 71% | 0.706 | 81% | 0.807 | S | S | * | * | | | | 47.6 | 127.3 | 117.3 | -33.7 | 0 | 0 | 0 | 0 | 124.8 | | |
| 422 | R | 38.3 | Very low | 37.3 | Very low | 235 Ų | 235 | 133.3 Ų | 133.3 | 89% | 0.887 | 81% | 0.805 | S | S | * | * | | | trans | 78.7 | 115.4 | 145.5 | -89.7 | 173.1 | -177.8 | 173.6 | -0.4 | 123.7 | | |
| 423 | A | 36.8 | Very low | 37.3 | Very low | 91 Ų | 91 | 132.2 Ų | 132.2 | 75% | 0.752 | 80% | 0.796 | S | S | * | * | | | | 73.4 | 125.9 | 118 | 0 | 0 | 0 | 0 | 0 | 123.3 | | |
| 424 | A | 33.8 | Very low | 37.3 | Very low | 108 Ų | 108 | 137 Ų | 137 | 89% | 0.893 | 80% | 0.803 | S | S | * | * | | | trans | 61.2 | 135.5 | 146.4 | 0 | 0 | 0 | 0 | 0 | 120.9 | | |
| 425 | S | 29.6 | Very low | 36.7 | Very low | 128 Ų | 128 | 136 Ų | 136 | 90% | 0.895 | 80% | 0.802 | S | S | * | * | | | trans | -136.9 | 155.4 | 163.6 | -172.3 | 0 | 0 | 0 | 0 | 108.7 | | |
| 426 | S | 38 | Very low | 36 | Very low | 104 Ų | 104 | 131.1 Ų | 131.1 | 73% | 0.727 | 81% | 0.805 | S | S | * | * | | | trans | -137.9 | 148.2 | -158.6 | 57.2 | 0 | 0 | 0 | 0 | 114.3 | | |
| 427 | E | 39.7 | Very low | 35.7 | Very low | 189 Ų | 189 | 123.3 Ų | 123.3 | 88% | 0.883 | 80% | 0.8 | S | S | * | * | | | trans | 48.8 | 131.4 | 145.2 | -144.6 | 57 | -128.8 | 0 | 0 | 121.7 | | |
| 428 | G | 33.1 | Very low | 35.6 | Very low | 70 Ų | 70 | 124.1 Ų | 124.1 | 72% | 0.722 | 81% | 0.813 | S | S | * | * | | | trans | -126.9 | 43.2 | -166 | 0 | 0 | 0 | 0 | 0 | 117.8 | | |
| 429 | R | 34.8 | Very low | 35.4 | Very low | 242 Ų | 242 | 123.4 Ų | 123.4 | 91% | 0.913 | 82% | 0.821 | S | S | * | * | | | trans | 75.2 | 135.4 | 159.6 | -149.8 | 176.8 | -165.3 | -176 | 3.8 | 119.4 | | |
| 430 | S | 36.1 | Very low | 35.4 | Very low | 108 Ų | 108 | 123.5 Ų | 123.5 | 76% | 0.755 | 83% | 0.828 | S | S | * | * | | | trans | -96.2 | -161.3 | 178 | -26.2 | 0 | 0 | 0 | 0 | 111 | | |
| 431 | P | 53.3 | Low | 35.2 | Very low | 130 Ų | 130 | 127.1 Ų | 127.1 | 84% | 0.844 | 83% | 0.834 | S | S | * | * | | | cis | -144.7 | 173.6 | 17.2 | 43.9 | -23.9 | 0 | 0 | 0 | 119.5 | | |
| 432 | G | 30.2 | Very low | 35.1 | Very low | 78 Ų | 78 | 127.8 Ų | 127.8 | 80% | 0.804 | 84% | 0.838 | S | S | * | * | | | trans | 114.3 | 147 | 151.6 | 0 | 0 | 0 | 0 | 0 | 116.6 | | |
| 433 | A | 33.3 | Very low | 35.7 | Very low | 86 Ų | 86 | 121.7 Ų | 121.7 | 71% | 0.711 | 83% | 0.829 | S | S | * | * | | | cis | -163.7 | 158 | -16.8 | 0 | 0 | 0 | 0 | 0 | 110.7 | | |
| 434 | Q | 35.3 | Very low | 35.5 | Very low | 193 Ų | 193 | 123.4 Ų | 123.4 | 90% | 0.902 | 83% | 0.83 | S | S | * | * | | | trans | 63.2 | 119 | 162.5 | -63.6 | 175.1 | 87.9 | 0 | 0 | 120.7 | | |
| 435 | G | 29.6 | Very low | 35.7 | Very low | 85 Ų | 85 | 123.5 Ų | 123.5 | 88% | 0.876 | 82% | 0.824 | S | S | * | * | | | | 88 | 152.8 | 126.8 | 0 | 0 | 0 | 0 | 0 | 118.8 | | |
| 436 | G | 31.6 | Very low | 36.7 | Very low | 83 Ų | 83 | 122.7 Ų | 122.7 | 86% | 0.856 | 82% | 0.816 | S | S | * | * | | | cis | 154.5 | 119.7 | -10.3 | 0 | 0 | 0 | 0 | 0 | 112.6 | | |
| 437 | G | 32 | Very low | 36.4 | Very low | 80 Ų | 80 | 123.4 Ų | 123.4 | 83% | 0.825 | 82% | 0.821 | S | S | * | * | | | trans | 106.1 | 118.2 | 164.8 | 0 | 0 | 0 | 0 | 0 | 118.2 | | |
| 438 | A | 33.4 | Very low | 36.2 | Very low | 115 Ų | 115 | 119.7 Ų | 119.7 | 95% | 0.95 | 82% | 0.823 | S | S | * | * | | | trans | -6 | 147.7 | 157.1 | 0 | 0 | 0 | 0 | 0 | 122.7 | | |
| 439 | G | 31.5 | Very low | 36.3 | Very low | 84 Ų | 84 | 120.1 Ų | 120.1 | 87% | 0.866 | 83% | 0.827 | S | S | * | * | | | trans | 178.6 | 108.1 | 159.4 | 0 | 0 | 0 | 0 | 0 | 111.9 | | |
| 440 | A | 37.1 | Very low | 36.6 | Very low | 100 Ų | 100 | 120.3 Ų | 120.3 | 83% | 0.826 | 83% | 0.828 | S | S | * | * | | | trans | -109.8 | 148.9 | -170.4 | 0 | 0 | 0 | 0 | 0 | 113.8 | | |
| 441 | R | 33.3 | Very low | 36.8 | Very low | 246 Ų | 246 | 121 Ų | 121 | 93% | 0.928 | 83% | 0.833 | S | S | * | * | | | trans | -162.4 | 135.6 | 147.8 | -114.8 | 164.6 | 179.5 | -128.6 | -5.3 | 114 | | |
| 442 | T | 37.2 | Very low | 36.2 | Very low | 129 Ų | 129 | 123.1 Ų | 123.1 | 79% | 0.791 | 83% | 0.831 | S | S | * | * | | | trans | -116.3 | -166.2 | 166.1 | 60.3 | 0 | 0 | 0 | 0 | 106.7 | | |
| 443 | P | 51 | Low | 36.9 | Very low | 106 Ų | 106 | 126.4 Ų | 126.4 | 69% | 0.688 | 83% | 0.829 | S | S | * | * | | | cis | -139.7 | -165.8 | -2.7 | 26.8 | 0.4 | 0 | 0 | 0 | 115.1 | | |
| 444 | V | 31.8 | Very low | 37.5 | Very low | 127 Ų | 127 | 132.3 Ų | 132.3 | 77% | 0.77 | 84% | 0.839 | S | S | * | * | | | trans | 88.3 | 134.1 | 155 | -164.4 | 0 | 0 | 0 | 0 | 119.6 | | |
| 445 | S | 37.8 | Very low | 37.9 | Very low | 110 Ų | 110 | 130.3 Ų | 130.3 | 77% | 0.769 | 83% | 0.829 | S | S | * | * | | | trans | -131.6 | 156.5 | 157.2 | -44.4 | 0 | 0 | 0 | 0 | 106.2 | | |
| 446 | P | 50 | Low | 38.5 | Very low | 112 Ų | 112 | 135.2 Ų | 135.2 | 73% | 0.727 | 83% | 0.831 | S | S | * | * | | | | -159.8 | 179.3 | 70.6 | 42.9 | -21.8 | 0 | 0 | 0 | 118.5 | | |
| 447 | S | 33 | Very low | 39.3 | Very low | 118 Ų | 118 | 139 Ų | 139 | 83% | 0.825 | 83% | 0.827 | S | S | * | * | | | trans | 75.4 | 137.7 | 143.7 | -74.5 | 0 | 0 | 0 | 0 | 124.8 | | |
| 448 | A | 35.6 | Very low | 39.8 | Very low | 112 Ų | 112 | 140.3 Ų | 140.3 | 93% | 0.926 | 83% | 0.83 | S | S | * | * | | | trans | 75.2 | 110.7 | 148 | 0 | 0 | 0 | 0 | 0 | 121.3 | | |
| 449 | G | 35.3 | Very low | 40 | Very low | 79 Ų | 79 | 139.8 Ų | 139.8 | 81% | 0.814 | 83% | 0.826 | S | S | * | * | | | trans | -167.1 | 150.3 | 163.9 | 0 | 0 | 0 | 0 | 0 | 110.2 | | |
| 450 | R | 41.4 | Very low | 40.2 | Very low | 245 Ų | 245 | 139.4 Ų | 139.4 | 93% | 0.925 | 82% | 0.822 | S | S | * | * | | | trans | -121.2 | 158.8 | -170.2 | -90.6 | -173.4 | 167.8 | -151.6 | -0.2 | 114.3 | | |
| 451 | S | 38.9 | Very low | 40.2 | Very low | 123 Ų | 123 | 142.9 Ų | 142.9 | 86% | 0.86 | 83% | 0.827 | S | S | * | * | | | trans | 73.5 | 154.8 | 175.7 | 84.3 | 0 | 0 | 0 | 0 | 114.4 | | |
| 452 | H | 41.9 | Very low | 40.4 | Very low | 174 Ų | 174 | 135.7 Ų | 135.7 | 81% | 0.806 | 82% | 0.82 | S | S | * | * | | | cis | -129.4 | 158.9 | 17.9 | 178.7 | -86.3 | 0 | 0 | 0 | 113.8 | | |
| 453 | L | 43 | Very low | 40.9 | Very low | 148 Ų | 148 | 140.9 Ų | 140.9 | 78% | 0.775 | 83% | 0.825 | S | S | * | * | | | trans | -81.3 | 136.7 | -174.6 | -118.9 | 69.7 | 0 | 0 | 0 | 113.9 | | |
| 454 | K | 47.5 | Very low | 40.3 | Very low | 209 Ų | 209 | 145.7 Ų | 145.7 | 91% | 0.909 | 84% | 0.835 | S | S | * | * | | | trans | -167.1 | 113.3 | 136.2 | -118 | 175.4 | -178.2 | 176.2 | 0 | 112.2 | | |
| 455 | H | 42.9 | Very low | 40.4 | Very low | 152 Ų | 152 | 147.8 Ų | 147.8 | 70% | 0.704 | 84% | 0.836 | S | S | * | * | | | trans | -147.4 | 123.9 | 167.8 | -177.8 | 91 | 0 | 0 | 0 | 107.8 | Q457 | H455-Q457 PolarHBondContact CD2-NE2 3.08Å; H455-Q457 VanDerWaalsContact CD2-NE2 3.26Å; H455-Q457 PolarHBondContact NE2-NE2 3.43Å |
| 456 | M | 43.3 | Very low | 40.8 | Very low | 187 Ų | 187 | 147.3 Ų | 147.3 | 92% | 0.921 | 83% | 0.831 | S | S | * | * | | | trans | -87.1 | 124.6 | 177 | -79.9 | -176.2 | 64.2 | 0 | 0 | 110.2 | | |
| 457 | Q | 47.7 | Very low | 39.9 | Very low | 162 Ų | 162 | 148.8 Ų | 148.8 | 76% | 0.757 | 83% | 0.828 | S | S | * | * | | | trans | -118.9 | 132.4 | 164.5 | -81.3 | 167.3 | 14.2 | 0 | 0 | 109.3 | H455 | H455-Q457 PolarHBondContact CD2-NE2 3.08Å; H455-Q457 VanDerWaalsContact CD2-NE2 3.26Å; H455-Q457 PolarHBondContact NE2-NE2 3.43Å |
| 458 | A | 41.9 | Very low | 39.9 | Very low | 108 Ų | 108 | 150.8 Ų | 150.8 | 89% | 0.893 | 82% | 0.824 | S | S | * | * | P | Polyproline II helix | trans | -82.3 | 126.6 | 176.1 | 0 | 0 | 0 | 0 | 0 | 109.6 | | |
| 459 | A | 38.7 | Very low | 39.8 | Very low | 104 Ų | 104 | 150.5 Ų | 150.5 | 86% | 0.86 | 82% | 0.822 | S | S | * | * | P | Polyproline II helix | trans | -81.9 | 149.8 | -179.2 | 0 | 0 | 0 | 0 | 0 | 112.3 | | |
| 460 | G | 35.8 | Very low | 39.6 | Very low | 77 Ų | 77 | 150.3 Ų | 150.3 | 79% | 0.794 | 82% | 0.82 | S | S | * | * | P | Polyproline II helix | trans | -70.5 | 155.2 | -171.7 | 0 | 0 | 0 | 0 | 0 | 115.3 | | |
| 461 | N | 35.8 | Very low | 39.4 | Very low | 172 Ų | 172 | 144.7 Ų | 144.7 | 92% | 0.92 | 81% | 0.813 | S | S | * | * | | | trans | -87.5 | 110.7 | 173.5 | -171.1 | 0.6 | 0 | 0 | 0 | 109.6 | | |
| 462 | A | 38.3 | Very low | 39.1 | Very low | 95 Ų | 95 | 146.1 Ų | 146.1 | 79% | 0.785 | 81% | 0.811 | S | S | * | * | | | trans | -112.7 | 147.9 | -176.8 | 0 | 0 | 0 | 0 | 0 | 111.8 | | |
| 463 | R | 46.5 | Very low | 39 | Very low | 239 Ų | 239 | 145.8 Ų | 145.8 | 90% | 0.902 | 81% | 0.81 | S | S | * | * | | | trans | -128.2 | 113.6 | -168.4 | 179.1 | -167.6 | -170 | -158.1 | 5.3 | 111.2 | | |
| 464 | K | 38.5 | Very low | 38.5 | Very low | 207 Ų | 207 | 148.2 Ų | 148.2 | 90% | 0.9 | 81% | 0.814 | S | S | * | * | | | trans | -175.8 | 159.2 | 141.7 | -85.5 | -128.2 | -178 | 174.4 | 0 | 111.9 | | |
| 465 | Q | 35.5 | Very low | 38 | Very low | 170 Ų | 170 | 142.1 Ų | 142.1 | 79% | 0.794 | 81% | 0.811 | S | S | * | * | | | trans | -99.1 | 171.9 | 164.4 | -91.9 | -117.2 | 6.2 | 0 | 0 | 108.5 | | |
| 466 | P | 46.3 | Very low | 37.7 | Very low | 101 Ų | 101 | 147.4 Ų | 147.4 | 66% | 0.656 | 83% | 0.825 | S | S | * | * | | | cis | -141.1 | -169.1 | 22.6 | 36 | -12.6 | 0 | 0 | 0 | 117 | | |
| 467 | Q | 30.7 | Very low | 37.2 | Very low | 143 Ų | 143 | 142 Ų | 142 | 67% | 0.668 | 82% | 0.817 | S | S | * | * | | | trans | 113.5 | 119.1 | 132 | -158.7 | 158.3 | -19.2 | 0 | 0 | 120.5 | | |
| 468 | E | 32.2 | Very low | 36.7 | Very low | 159 Ų | 159 | 143.3 Ų | 143.3 | 74% | 0.743 | 82% | 0.823 | S | S | * | * | | | trans | 63.8 | 126.8 | 147.7 | -75.8 | 158.9 | -178.5 | 0 | 0 | 126.2 | | |
| 469 | A | 32.9 | Very low | 36.4 | Very low | 107 Ų | 107 | 143.9 Ų | 143.9 | 88% | 0.884 | 82% | 0.815 | S | S | * | * | | | trans | 54.5 | 128.3 | 131.4 | 0 | 0 | 0 | 0 | 0 | 122.4 | | |
| 470 | G | 32.3 | Very low | 36.3 | Very low | 75 Ų | 75 | 149.4 Ų | 149.4 | 77% | 0.773 | 81% | 0.814 | S | S | * | * | | | trans | 170.2 | 81.8 | 169.9 | 0 | 0 | 0 | 0 | 0 | 115.8 | | |
| 471 | T | 36 | Very low | 36.5 | Very low | 127 Ų | 127 | 155.5 Ų | 155.5 | 78% | 0.779 | 82% | 0.818 | S | S | * | * | | | trans | -12.1 | 132.8 | 165.7 | 51.3 | 0 | 0 | 0 | 0 | 121.3 | | |
| 472 | N | 32.7 | Very low | 36.3 | Very low | 153 Ų | 153 | 153.4 Ų | 153.4 | 82% | 0.818 | 82% | 0.818 | S | S | * | * | | | trans | 33.2 | 132.5 | 133.7 | -62.8 | -46 | 0 | 0 | 0 | 120.1 | | |
| 473 | Q | 39.9 | Very low | 36.2 | Very low | 166 Ų | 166 | 159.9 Ų | 159.9 | 78% | 0.776 | 82% | 0.822 | S | S | * | * | | | | -163 | 158.7 | 58.4 | -79.1 | -168.8 | 56 | 0 | 0 | 115.6 | | |
| 474 | K | 33.3 | Very low | 35.5 | Very low | 199 Ų | 199 | 154.1 Ų | 154.1 | 87% | 0.865 | 81% | 0.813 | S | S | * | * | | | trans | 25.6 | 120.8 | 151.4 | -69.6 | 177.2 | 177 | 169.7 | 0 | 121.7 | | |
| 475 | G | 36 | Very low | 35.6 | Very low | 82 Ų | 82 | 156 Ų | 156 | 85% | 0.845 | 81% | 0.814 | S | S | * | * | | | trans | -152.3 | 150.8 | 151.1 | 0 | 0 | 0 | 0 | 0 | 110.7 | | |
| 476 | R | 37.6 | Very low | 35.5 | Very low | 262 Ų | 262 | 151.9 Ų | 151.9 | 99% | 0.989 | 81% | 0.81 | S | S | * | * | | | trans | -111.2 | 153.5 | -174.9 | -75.1 | -178.1 | 173.7 | -115.7 | 6.1 | 113.1 | | |
| 477 | G | 33.4 | Very low | 34.8 | Very low | 73 Ų | 73 | 154 Ų | 154 | 75% | 0.753 | 82% | 0.816 | S | S | * | * | | | trans | 125.5 | 76.2 | 169.4 | 0 | 0 | 0 | 0 | 0 | 113.1 | | |
| 478 | Q | 37.1 | Very low | 35 | Very low | 190 Ų | 190 | 151.4 Ų | 151.4 | 89% | 0.888 | 81% | 0.813 | S | S | * | * | | | | 65.5 | 110.1 | 79.1 | -157.4 | -166.9 | 52.4 | 0 | 0 | 114.6 | | |
| 479 | V | 35.1 | Very low | 35.2 | Very low | 120 Ų | 120 | 152.3 Ų | 152.3 | 73% | 0.727 | 82% | 0.817 | S | S | * | * | | | trans | 159.4 | 119.1 | 133.5 | 160 | 0 | 0 | 0 | 0 | 113 | | |
| 480 | R | 37.4 | Very low | 35.4 | Very low | 221 Ų | 221 | 152.8 Ų | 152.8 | 83% | 0.834 | 81% | 0.809 | S | S | * | * | | | trans | 51.1 | 108 | 153.4 | -67.6 | 174.6 | 178 | 178.3 | -1.2 | 122.5 | | |
| 481 | K | 38.7 | Very low | 35.3 | Very low | 204 Ų | 204 | 155.7 Ų | 155.7 | 89% | 0.887 | 81% | 0.807 | S | S | * | * | | | | 61.1 | 100.8 | 129.3 | -62.7 | -174.4 | 175.6 | -174.7 | 0 | 119.4 | | |
| 482 | S | 32 | Very low | 35.4 | Very low | 129 Ų | 129 | 156.8 Ų | 156.8 | 90% | 0.902 | 81% | 0.813 | S | S | * | * | | | trans | -143.4 | 150.4 | 139.7 | -164.6 | 0 | 0 | 0 | 0 | 113 | | |
| 483 | R | 36.6 | Very low | 35.6 | Very low | 230 Ų | 230 | 158.3 Ų | 158.3 | 87% | 0.868 | 81% | 0.813 | S | S | * | * | | | trans | -70.9 | 153.3 | -167.7 | -167.4 | -168 | -159.6 | -179.9 | 5.8 | 113.9 | | |
| 484 | V | 32 | Very low | 35.3 | Very low | 119 Ų | 119 | 160.5 Ų | 160.5 | 72% | 0.721 | 82% | 0.819 | S | S | * | * | | | trans | 137.9 | 126.9 | 134.9 | 170.7 | 0 | 0 | 0 | 0 | 116.4 | | |
| 485 | R | 39.9 | Very low | 35.3 | Very low | 245 Ų | 245 | 158.8 Ų | 158.8 | 93% | 0.925 | 82% | 0.815 | S | S | * | * | | | trans | 65.8 | 129.7 | 156.8 | -86.3 | 176 | 169.9 | 170.7 | -3.9 | 123.7 | | |
| 486 | A | 33.3 | Very low | 36.2 | Very low | 85 Ų | 85 | 160 Ų | 160 | 70% | 0.702 | 81% | 0.807 | S | S | * | * | | | trans | -166.4 | 158.2 | 147.4 | 0 | 0 | 0 | 0 | 0 | 105.3 | | |
| 487 | N | 31.6 | Very low | 35.9 | Very low | 146 Ų | 146 | 153 Ų | 153 | 78% | 0.781 | 80% | 0.798 | S | S | * | * | | | cis | -159 | 136 | -10.8 | -105.6 | 9.1 | 0 | 0 | 0 | 106.3 | | |
| 488 | S | 35.7 | Very low | 35.7 | Very low | 87 Ų | 87 | 152.8 Ų | 152.8 | 61% | 0.608 | 80% | 0.797 | S | S | * | * | | | | 61.8 | 121.8 | 88.8 | 78.9 | 0 | 0 | 0 | 0 | 116.5 | | |
| 489 | E | 34.8 | Very low | 35.7 | Very low | 179 Ų | 179 | 150.4 Ų | 150.4 | 84% | 0.836 | 80% | 0.795 | S | S | * | * | | | trans | -174.8 | 133.6 | 131.7 | -105.2 | 169.5 | 87.1 | 0 | 0 | 114.2 | | |
| 490 | T | 37.6 | Very low | 35.8 | Very low | 116 Ų | 116 | 154.4 Ų | 154.4 | 71% | 0.712 | 80% | 0.802 | S | S | * | * | | | trans | 22.9 | 127.8 | 138.6 | 51.2 | 0 | 0 | 0 | 0 | 120.7 | | |
| 491 | D | 30.9 | Very low | 35.5 | Very low | 136 Ų | 136 | 147.5 Ų | 147.5 | 73% | 0.727 | 80% | 0.8 | S | S | * | * | | | | 71.4 | 105.3 | 60.8 | -160.9 | -59.3 | 0 | 0 | 0 | 114.5 | | |
| 492 | V | 38.1 | Very low | 35.2 | Very low | 151 Ų | 151 | 142.8 Ų | 142.8 | 92% | 0.915 | 80% | 0.799 | S | S | * | * | | | trans | -140.8 | 141.5 | 154.3 | 180 | 0 | 0 | 0 | 0 | 108 | | |
| 493 | K | 35.9 | Very low | 35.1 | Very low | 185 Ų | 185 | 141 Ų | 141 | 80% | 0.804 | 79% | 0.792 | S | S | * | * | | | trans | -129.9 | 124.1 | -160.9 | 168 | -170.9 | 177.7 | -178.5 | 0 | 112 | | |
| 494 | K | 34.7 | Very low | 35.1 | Very low | 211 Ų | 211 | 134.7 Ų | 134.7 | 92% | 0.917 | 79% | 0.789 | S | S | * | * | | | trans | -155.6 | 123 | 157.1 | -141.8 | 169 | -176.8 | 178 | 0 | 115.3 | | |
| 495 | E | 33.3 | Very low | 35.1 | Very low | 164 Ų | 164 | 136.7 Ų | 136.7 | 77% | 0.766 | 79% | 0.791 | S | S | * | * | | | trans | -108.7 | -174.7 | 169.3 | -87.3 | -77.7 | 136.9 | 0 | 0 | 108 | | |
| 496 | P | 55 | Low | 35.1 | Very low | 106 Ų | 106 | 133.2 Ų | 133.2 | 69% | 0.688 | 78% | 0.782 | S | S | * | * | | | cis | -133 | 177.3 | -3.2 | 29.4 | -7.6 | 0 | 0 | 0 | 116.2 | | |
| 497 | S | 30.3 | Very low | 34.9 | Very low | 115 Ų | 115 | 140.8 Ų | 140.8 | 80% | 0.804 | 79% | 0.793 | S | S | * | * | | | trans | 128.6 | 126 | 135.6 | -54.3 | 0 | 0 | 0 | 0 | 115.2 | | |
| 498 | G | 30.3 | Very low | 34.7 | Very low | 70 Ų | 70 | 136.9 Ų | 136.9 | 72% | 0.722 | 79% | 0.787 | S | S | * | * | | | cis | 178.8 | 153.2 | -8.4 | 0 | 0 | 0 | 0 | 0 | 116.6 | | |
| 499 | V | 37.3 | Very low | 34.7 | Very low | 139 Ų | 139 | 141.6 Ų | 141.6 | 84% | 0.842 | 80% | 0.799 | S | S | * | * | | | trans | 52.6 | 94 | 149.3 | -152.2 | 0 | 0 | 0 | 0 | 120.5 | | |
| 500 | K | 37.4 | Very low | 35 | Very low | 204 Ų | 204 | 139.1 Ų | 139.1 | 89% | 0.887 | 80% | 0.799 | S | S | * | * | | | | -178.5 | 138.7 | 111.1 | -99 | 179.3 | -178.2 | 176.5 | 0 | 111.8 | | |
| 501 | G | 30.8 | Very low | 34.6 | Very low | 76 Ų | 76 | 137 Ų | 137 | 78% | 0.784 | 80% | 0.8 | S | S | * | * | | | trans | -90.4 | 179.3 | 167 | 0 | 0 | 0 | 0 | 0 | 111.8 | | |
| 502 | A | 31.6 | Very low | 34.6 | Very low | 105 Ų | 105 | 136.5 Ų | 136.5 | 87% | 0.868 | 81% | 0.807 | S | S | * | * | | | cis | -157 | -167.4 | 0.8 | 0 | 0 | 0 | 0 | 0 | 107.8 | | |
| 503 | A | 30.7 | Very low | 34.4 | Very low | 92 Ų | 92 | 139 Ų | 139 | 76% | 0.76 | 81% | 0.806 | S | S | * | * | | | cis | -160.2 | -160.5 | 10.6 | 0 | 0 | 0 | 0 | 0 | 110.7 | | |
| 504 | A | 35.2 | Very low | 34.3 | Very low | 97 Ų | 97 | 141.2 Ų | 141.2 | 80% | 0.802 | 81% | 0.809 | S | S | * | * | | | trans | 61.2 | 80.3 | 153.4 | 0 | 0 | 0 | 0 | 0 | 119.4 | | |
| 505 | E | 32.8 | Very low | 34.1 | Very low | 162 Ų | 162 | 139.7 Ų | 139.7 | 76% | 0.757 | 81% | 0.805 | S | S | * | * | | | trans | -6.6 | 122.8 | 131 | -135.4 | -155.4 | 151.2 | 0 | 0 | 114.9 | | |
| 506 | K | 39 | Very low | 34.1 | Very low | 171 Ų | 171 | 139.3 Ų | 139.3 | 74% | 0.743 | 81% | 0.808 | S | S | * | * | | | | -172.5 | 147.1 | 72.4 | -88.8 | 175.2 | -177.7 | 172.4 | 0 | 112.2 | | |
| 507 | R | 30.4 | Very low | 33.1 | Very low | 244 Ų | 244 | 142 Ų | 142 | 92% | 0.921 | 82% | 0.815 | S | S | * | * | | | trans | -88.4 | 118.7 | 175.5 | -179.5 | -177.4 | -71.3 | -172.4 | -2.6 | 110.8 | | |
| 508 | G | 27.3 | Very low | 33.2 | Very low | 65 Ų | 65 | 141.3 Ų | 141.3 | 67% | 0.67 | 82% | 0.815 | S | S | * | * | | | trans | -115.7 | 138.4 | 173.8 | 0 | 0 | 0 | 0 | 0 | 112.7 | | |
| 509 | H | 34.7 | Very low | 33.3 | Very low | 186 Ų | 186 | 143.7 Ų | 143.7 | 86% | 0.861 | 82% | 0.821 | S | S | * | * | P | Polyproline II helix | trans | -85.5 | 126.7 | 169.4 | -72.8 | -55.4 | 0 | 0 | 0 | 110.7 | | |
| 510 | P | 41.7 | Very low | 33.2 | Very low | 127 Ų | 127 | 147 Ų | 147 | 83% | 0.825 | 82% | 0.824 | S | S | * | * | P | Polyproline II helix | trans | -80.4 | 129 | 164 | 31.7 | -30.9 | 0 | 0 | 0 | 110.4 | | |
| 511 | G | 29.3 | Very low | 32.9 | Very low | 71 Ų | 71 | 148.2 Ų | 148.2 | 73% | 0.732 | 82% | 0.823 | S | S | * | * | P | Polyproline II helix | trans | -84 | 164.3 | 175.4 | 0 | 0 | 0 | 0 | 0 | 113.7 | K513 | G511-K513 PolarHBondContact O-N 3.17Š|
| 512 | S | 31.8 | Very low | 32.9 | Very low | 126 Ų | 126 | 151.4 Ų | 151.4 | 88% | 0.881 | 82% | 0.822 | S | S | * | * | P | Polyproline II helix | trans | -53.9 | 128 | 177.6 | 176.1 | 0 | 0 | 0 | 0 | 113.2 | | |
| 513 | K | 33.4 | Very low | 32.8 | Very low | 204 Ų | 204 | 154.8 Ų | 154.8 | 89% | 0.887 | 82% | 0.82 | S | S | * | * | P | Polyproline II helix | trans | -100.5 | 141.2 | 161.3 | -93.8 | -173.4 | 175.1 | -179.1 | 0 | 110.5 | G511 | G511-K513 PolarHBondContact O-N 3.17Š|
| 514 | R | 33.6 | Very low | 32.9 | Very low | 230 Ų | 230 | 160.8 Ų | 160.8 | 87% | 0.868 | 82% | 0.823 | S | S | * | * | | | trans | -109.4 | 117.2 | -179.6 | 175.4 | -173.3 | -173.2 | 173.8 | 3.6 | 108.2 | | |
| 515 | E | 29.4 | Very low | 32.6 | Very low | 179 Ų | 179 | 161.8 Ų | 161.8 | 84% | 0.836 | 82% | 0.815 | S | S | * | * | | | trans | -87.6 | 148.2 | 173.2 | -68.6 | -163 | 124.5 | 0 | 0 | 112.1 | | |
| 516 | L | 35.1 | Very low | 32.6 | Very low | 157 Ų | 157 | 159.8 Ų | 159.8 | 82% | 0.822 | 82% | 0.818 | S | S | * | * | | | trans | -97.9 | 132.1 | 162.8 | -88.2 | 70 | 0 | 0 | 0 | 107.8 | | |
| 517 | I | 33.2 | Very low | 32.2 | Very low | 163 Ų | 163 | 159.4 Ų | 159.4 | 84% | 0.836 | 82% | 0.818 | S | S | * | * | | | trans | -128.2 | 128.5 | 149.4 | -62.7 | -176.2 | 0 | 0 | 0 | 107.4 | | |
| 518 | A | 31.9 | Very low | 32.3 | Very low | 99 Ų | 99 | 155.9 Ų | 155.9 | 82% | 0.818 | 81% | 0.81 | S | S | * | * | | | trans | -85.1 | 149.8 | 176 | 0 | 0 | 0 | 0 | 0 | 110.7 | | |
| 519 | S | 31.8 | Very low | 32.3 | Very low | 120 Ų | 120 | 157.3 Ų | 157.3 | 84% | 0.839 | 82% | 0.815 | S | S | * | * | | | trans | -129.5 | 123.3 | 167.3 | -162.4 | 0 | 0 | 0 | 0 | 109.5 | | |
| 520 | K | 35.7 | Very low | 32.1 | Very low | 210 Ų | 210 | 155.9 Ų | 155.9 | 91% | 0.913 | 81% | 0.809 | S | S | * | * | | | trans | -77.6 | 139.7 | 171.8 | -68.6 | -178.5 | 177 | -178.2 | 0 | 108.4 | | |
| 521 | R | 32.6 | Very low | 31.5 | Very low | 229 Ų | 229 | 154.9 Ų | 154.9 | 86% | 0.864 | 81% | 0.811 | S | S | * | * | | | trans | -115.7 | 125 | 162 | -156.2 | 173.6 | -162 | 158.1 | 6 | 108.9 | | |
| 522 | D | 30.3 | Very low | 31.3 | Very low | 143 Ų | 143 | 154.8 Ų | 154.8 | 77% | 0.765 | 81% | 0.81 | S | S | * | * | | | trans | -78.8 | 131.5 | 170.2 | -148.5 | -95.8 | 0 | 0 | 0 | 107.6 | | |
| 523 | E | 28.6 | Very low | 31.2 | Very low | 175 Ų | 175 | 154 Ų | 154 | 82% | 0.818 | 81% | 0.805 | S | S | * | * | | | trans | -133.6 | 111.2 | 178.8 | -169 | 162.6 | 96.8 | 0 | 0 | 109 | | |
| 524 | R | 32.8 | Very low | 31.2 | Very low | 218 Ų | 218 | 153.3 Ų | 153.3 | 82% | 0.823 | 81% | 0.805 | S | S | * | * | | | trans | -106.6 | 88.7 | -178.9 | -79.3 | -91.2 | -87.6 | -104.6 | -1.2 | 108.9 | | |
| 525 | D | 29 | Very low | 31 | Very low | 119 Ų | 119 | 146.4 Ų | 146.4 | 64% | 0.636 | 80% | 0.797 | S | S | * | * | | | trans | -71 | 152.1 | 168 | -169.3 | 14.8 | 0 | 0 | 0 | 110.8 | Q527 | D525-Q527 WeakPolarHBondContact OD2-CG 3.47Å; D525-Q527 PolarHBondContact OD2-NE2 2.96Å |
| 526 | C | 32.3 | Very low | 31.3 | Very low | 120 Ų | 120 | 144 Ų | 144 | 81% | 0.811 | 80% | 0.8 | S | S | * | * | | | trans | -116.5 | 90.6 | -176 | -69.5 | 0 | 0 | 0 | 0 | 110.4 | | |
| 527 | Q | 30.9 | Very low | 31.5 | Very low | 162 Ų | 162 | 145.6 Ų | 145.6 | 76% | 0.757 | 80% | 0.8 | S | S | * | * | | | trans | -107.1 | 106 | -178.4 | -62.7 | -163.9 | 13.2 | 0 | 0 | 113.6 | D525 | D525-Q527 WeakPolarHBondContact OD2-CG 3.47Å; D525-Q527 PolarHBondContact OD2-NE2 2.96Å |
| 528 | K | 33 | Very low | 31.5 | Very low | 171 Ų | 171 | 144.4 Ų | 144.4 | 74% | 0.743 | 80% | 0.801 | S | S | * | * | | | trans | 20.8 | 117 | 134.4 | -169.2 | -163.2 | -174 | -131.1 | 0 | 118.7 | E530 | K528-E530 IonicContact NZ-OE2 3.16Å; K528-E530 PolarHBondContact NZ-OE2 3.47Å |
| 529 | A | 27.7 | Very low | 31.4 | Very low | 95 Ų | 95 | 144.2 Ų | 144.2 | 79% | 0.785 | 80% | 0.799 | S | S | * | * | | | trans | -135.4 | 119.6 | 134.8 | 0 | 0 | 0 | 0 | 0 | 105.3 | | |
| 530 | E | 29.3 | Very low | 31.6 | Very low | 156 Ų | 156 | 144.8 Ų | 144.8 | 73% | 0.729 | 80% | 0.797 | S | S | * | * | | | | 71.1 | 130 | 58.2 | -158.9 | 152.7 | 156.2 | 0 | 0 | 112.8 | K528 | K528-E530 IonicContact NZ-OE2 3.16Å; K528-E530 PolarHBondContact NZ-OE2 3.47Å |
| 531 | A | 29.4 | Very low | 31.6 | Very low | 105 Ų | 105 | 143 Ų | 143 | 87% | 0.868 | 79% | 0.79 | S | S | * | * | | | trans | -94.5 | 154.4 | -158.8 | 0 | 0 | 0 | 0 | 0 | 113.2 | | |
| 532 | G | 26.5 | Very low | 31.6 | Very low | 69 Ų | 69 | 142.6 Ų | 142.6 | 71% | 0.711 | 79% | 0.788 | S | S | * | * | | | trans | -133.6 | 140.1 | 173.8 | 0 | 0 | 0 | 0 | 0 | 112.7 | | |
| 533 | S | 29.6 | Very low | 31.6 | Very low | 111 Ų | 111 | 140.4 Ų | 140.4 | 78% | 0.776 | 79% | 0.79 | S | S | * | * | | | trans | 72.8 | 113.2 | 154.7 | -59 | 0 | 0 | 0 | 0 | 120.5 | | |
| 534 | Q | 32.1 | Very low | 31.8 | Very low | 189 Ų | 189 | 136.9 Ų | 136.9 | 88% | 0.883 | 79% | 0.791 | S | S | * | * | | | trans | 70.2 | 158.6 | 140.9 | -61.2 | -178.9 | 7.6 | 0 | 0 | 119.2 | | |
| 535 | A | 29.8 | Very low | 31.8 | Very low | 84 Ų | 84 | 135.9 Ų | 135.9 | 69% | 0.694 | 79% | 0.793 | S | S | * | * | | | cis | -170.9 | 136.4 | -35 | 0 | 0 | 0 | 0 | 0 | 108.9 | | |
| 536 | S | 35.4 | Very low | 32.1 | Very low | 130 Ų | 130 | 136.9 Ų | 136.9 | 91% | 0.909 | 80% | 0.798 | S | S | * | * | | | trans | 176.5 | 170 | 149.7 | -87.6 | 0 | 0 | 0 | 0 | 111.5 | | |
| 537 | K | 39.4 | Very low | 32.9 | Very low | 189 Ų | 189 | 136.2 Ų | 136.2 | 82% | 0.822 | 79% | 0.792 | S | S | * | * | | | trans | -122.9 | 162.7 | -169.2 | -64.8 | 178.4 | 178.2 | 176.6 | 0 | 112.9 | | |
| 538 | T | 32.6 | Very low | 33.1 | Very low | 139 Ų | 139 | 132.3 Ų | 132.3 | 85% | 0.853 | 79% | 0.788 | S | S | * | * | | | trans | 55.8 | 111.8 | 148.8 | 47.1 | 0 | 0 | 0 | 0 | 120.6 | | |
| 539 | A | 30.8 | Very low | 33.2 | Very low | 94 Ų | 94 | 129 Ų | 129 | 78% | 0.777 | 79% | 0.786 | S | S | * | * | | | | -170.4 | 106.4 | 129 | 0 | 0 | 0 | 0 | 0 | 114.1 | | |
| 540 | T | 35.7 | Very low | 33.5 | Very low | 132 Ų | 132 | 132.2 Ų | 132.2 | 81% | 0.81 | 79% | 0.789 | S | S | * | * | | | | 61.7 | 90.1 | 117.5 | -44.1 | 0 | 0 | 0 | 0 | 123 | | |
| 541 | K | 34.8 | Very low | 33.6 | Very low | 173 Ų | 173 | 129 Ų | 129 | 75% | 0.752 | 78% | 0.784 | S | S | * | * | | | | 47.9 | 135.5 | 116.2 | -147.5 | -175.7 | -176.4 | 170 | 0 | 121.1 | | |
| 542 | R | 34.3 | Very low | 33.8 | Very low | 220 Ų | 220 | 133.9 Ų | 133.9 | 83% | 0.83 | 79% | 0.785 | S | S | * | * | | | trans | 83.3 | 149.5 | 164.6 | -50.5 | -168.2 | -144.9 | -138.4 | 8.4 | 115.5 | | |
| 543 | A | 30.5 | Very low | 34.1 | Very low | 98 Ų | 98 | 134.9 Ų | 134.9 | 81% | 0.81 | 79% | 0.787 | S | S | * | * | | | cis | -157.1 | 167.9 | -16 | 0 | 0 | 0 | 0 | 0 | 110.3 | | |
| 544 | A | 31.3 | Very low | 34.7 | Very low | 101 Ų | 101 | 135.4 Ų | 135.4 | 84% | 0.835 | 79% | 0.788 | S | S | * | * | | | trans | -86.9 | 142.9 | 179.2 | 0 | 0 | 0 | 0 | 0 | 113.6 | | |
| 545 | K | 33.1 | Very low | 35.1 | Very low | 196 Ų | 196 | 132.3 Ų | 132.3 | 85% | 0.852 | 78% | 0.784 | S | S | * | * | | | trans | -160.2 | 127.6 | 148.5 | -154.7 | 91.7 | -179.7 | -168.8 | 0 | 110.9 | | |
| 546 | D | 35.8 | Very low | 35.1 | Very low | 141 Ų | 141 | 133.4 Ų | 133.4 | 75% | 0.754 | 79% | 0.787 | S | S | * | * | | | trans | -121.7 | 138.6 | 153.9 | -166.1 | -30.8 | 0 | 0 | 0 | 104.7 | A548 | D546-A548 PolarHBondContact OD1-N 3.09Š|
| 547 | P | 48.4 | Very low | 34.9 | Very low | 106 Ų | 106 | 131.8 Ų | 131.8 | 69% | 0.688 | 78% | 0.776 | S | S | * | * | | | | -149.1 | 122 | 115.7 | 34 | -15.3 | 0 | 0 | 0 | 115.4 | | |
| 548 | A | 35.1 | Very low | 34.7 | Very low | 80 Ų | 80 | 131.8 Ų | 131.8 | 66% | 0.661 | 78% | 0.778 | S | S | * | * | | | | 23.9 | 131.8 | 129.9 | 0 | 0 | 0 | 0 | 0 | 121 | D546 | D546-A548 PolarHBondContact OD1-N 3.09Š|
| 549 | S | 35.7 | Very low | 34.9 | Very low | 100 Ų | 100 | 130.4 Ų | 130.4 | 70% | 0.699 | 77% | 0.774 | S | S | * | * | | | | 154.5 | 150.6 | 99.6 | 61.7 | 0 | 0 | 0 | 0 | 115.9 | | |
| 550 | L | 34.3 | Very low | 35.5 | Very low | 164 Ų | 164 | 133.7 Ų | 133.7 | 86% | 0.859 | 78% | 0.777 | S | S | * | * | | | trans | 67.4 | 148.9 | 151.1 | -71.7 | 163.8 | 0 | 0 | 0 | 119.2 | | |
| 551 | S | 31.1 | Very low | 35.8 | Very low | 88 Ų | 88 | 132.5 Ų | 132.5 | 62% | 0.615 | 77% | 0.772 | S | S | * | * | | | cis | -160.6 | 166.3 | -3.2 | 61.9 | 0 | 0 | 0 | 0 | 115.1 | | |
| 552 | K | 33.3 | Very low | 36 | Very low | 207 Ų | 207 | 134.4 Ų | 134.4 | 90% | 0.9 | 78% | 0.78 | S | S | * | * | | | trans | 70.5 | 152.3 | 149.4 | -79 | 171.5 | 178.2 | 174.7 | 0 | 121.7 | | |
| 553 | A | 32.7 | Very low | 36.3 | Very low | 91 Ų | 91 | 133 Ų | 133 | 75% | 0.752 | 78% | 0.783 | S | S | * | * | | | trans | -119.5 | -180 | 175.9 | 0 | 0 | 0 | 0 | 0 | 109 | | |
| 554 | P | 41.6 | Very low | 36.7 | Very low | 122 Ų | 122 | 135.1 Ų | 135.1 | 79% | 0.792 | 78% | 0.78 | S | S | * | * | | | | -142.1 | 176.1 | 54.9 | 41.4 | -23.4 | 0 | 0 | 0 | 116.2 | | |
| 555 | P | 41.3 | Very low | 36.9 | Very low | 124 Ų | 124 | 133.7 Ų | 133.7 | 81% | 0.805 | 78% | 0.775 | S | S | * | * | | | trans | -105.1 | 146.8 | 170.5 | 37.3 | -30.2 | 0 | 0 | 0 | 113.9 | | |
| 556 | S | 30 | Very low | 37.5 | Very low | 107 Ų | 107 | 133 Ų | 133 | 75% | 0.748 | 77% | 0.773 | S | S | * | * | | | trans | -150.8 | 116.6 | 174.2 | 59.1 | 0 | 0 | 0 | 0 | 115.3 | | |
| 557 | S | 32 | Very low | 37.9 | Very low | 96 Ų | 96 | 133.3 Ų | 133.3 | 67% | 0.671 | 78% | 0.779 | S | S | * | * | | | trans | 58.2 | 136.3 | 142.1 | 65.2 | 0 | 0 | 0 | 0 | 123 | | |
| 558 | H | 34.8 | Very low | 38.1 | Very low | 188 Ų | 188 | 137.6 Ų | 137.6 | 87% | 0.87 | 79% | 0.787 | S | S | * | * | | | trans | 70 | 146.8 | 169 | -54 | -75.8 | 0 | 0 | 0 | 116 | | |
| 559 | S | 35.8 | Very low | 38.1 | Very low | 110 Ų | 110 | 141 Ų | 141 | 77% | 0.769 | 79% | 0.794 | S | S | * | * | | | cis | -148.1 | 161.3 | 2.6 | 55.1 | 0 | 0 | 0 | 0 | 113.4 | | |
| 560 | I | 43.2 | Very low | 39.1 | Very low | 163 Ų | 163 | 141.7 Ų | 141.7 | 84% | 0.836 | 79% | 0.794 | S | S | * | * | | | trans | -122 | 154.9 | 167.5 | -78.6 | 174.6 | 0 | 0 | 0 | 106.4 | | |
| 561 | P | 43.3 | Very low | 39.5 | Very low | 108 Ų | 108 | 141.9 Ų | 141.9 | 70% | 0.701 | 79% | 0.79 | S | S | * | * | | | cis | -127.9 | 175 | 8.8 | 37.7 | -21.7 | 0 | 0 | 0 | 115.9 | | |
| 562 | K | 39.1 | Very low | 40.2 | Very low | 213 Ų | 213 | 147 Ų | 147 | 93% | 0.926 | 80% | 0.802 | S | S | * | * | | | trans | -138 | 136.2 | 139 | -76.8 | -162.5 | 175.6 | 179.8 | 0 | 111.4 | | |
| 563 | Q | 40.4 | Very low | 40.8 | Very low | 190 Ų | 190 | 143.5 Ų | 143.5 | 89% | 0.888 | 80% | 0.797 | S | S | * | * | | | trans | -80.4 | 154.3 | 173.8 | -62.8 | 167.5 | -33.8 | 0 | 0 | 110.7 | | |
| 564 | N | 38.3 | Very low | 41.3 | Very low | 143 Ų | 143 | 143.8 Ų | 143.8 | 77% | 0.765 | 80% | 0.8 | S | S | * | * | | | trans | -154.5 | 87.6 | 155 | -149.3 | -29.2 | 0 | 0 | 0 | 111.3 | | |
| 565 | G | 36.6 | Very low | 41.6 | Very low | 71 Ų | 71 | 151.3 Ų | 151.3 | 73% | 0.732 | 82% | 0.82 | S | S | * | * | | | trans | -81.8 | 129.6 | 176.4 | 0 | 0 | 0 | 0 | 0 | 111.7 | | |
| 566 | K | 44.9 | Very low | 41.7 | Very low | 182 Ų | 182 | 152.7 Ų | 152.7 | 79% | 0.791 | 82% | 0.821 | S | S | * | * | | | trans | -126.4 | 73.7 | 170.6 | -75 | -172.9 | 176.1 | 179 | 0 | 111.1 | K568 | K566-K568 PolarHBondContact O-N 3.26Š|
| 567 | T | 43.3 | Very low | 42.3 | Very low | 146 Ų | 146 | 155.1 Ų | 155.1 | 90% | 0.896 | 83% | 0.825 | S | S | * | * | | | trans | -62.6 | 119 | 166 | 41.4 | 0 | 0 | 0 | 0 | 109.9 | | |
| 568 | K | 52.7 | Low | 42.8 | Very low | 196 Ų | 196 | 158.4 Ų | 158.4 | 85% | 0.852 | 83% | 0.833 | S | S | * | * | | | trans | -94.9 | 113.2 | 166.5 | -74.2 | -170.4 | 176.1 | -175.4 | 0 | 108.8 | K566 | K566-K568 PolarHBondContact O-N 3.26Š|
| 569 | N | 36 | Very low | 43.3 | Very low | 151 Ų | 151 | 156.6 Ų | 156.6 | 81% | 0.807 | 83% | 0.831 | S | S | * | * | | | trans | -77.6 | 136.7 | 176.3 | -155.9 | -0.6 | 0 | 0 | 0 | 109.5 | | |
| 570 | V | 55.8 | Low | 43.8 | Very low | 116 Ų | 116 | 159.6 Ų | 159.6 | 70% | 0.703 | 84% | 0.835 | S | S | * | * | | | trans | -132.6 | 112.9 | 176.8 | 179.8 | 0 | 0 | 0 | 0 | 108.2 | | |
| 571 | H | 43.8 | Very low | 43.8 | Very low | 168 Ų | 168 | 159.3 Ų | 159.3 | 78% | 0.778 | 84% | 0.835 | S | S | * | * | | | trans | -70.6 | 131.5 | 177.5 | -111.7 | -88.6 | 0 | 0 | 0 | 110.8 | | |
| 572 | F | 46.5 | Very low | 43.9 | Very low | 194 Ų | 194 | 163 Ų | 163 | 85% | 0.851 | 85% | 0.845 | S | S | * | * | | | trans | -79.3 | 138.4 | 158.3 | -81.2 | -96.9 | 0 | 0 | 0 | 109.6 | | |
| 573 | V | 45 | Very low | 44.2 | Very low | 134 Ų | 134 | 159.2 Ų | 159.2 | 81% | 0.812 | 84% | 0.838 | S | S | * | * | | | trans | -116 | 119.5 | 163.2 | 173.8 | 0 | 0 | 0 | 0 | 106.3 | | |
| 574 | A | 42 | Very low | 44.6 | Very low | 97 Ų | 97 | 156.6 Ų | 156.6 | 80% | 0.802 | 83% | 0.834 | S | S | * | * | | | trans | -74.8 | 157.3 | 176.9 | 0 | 0 | 0 | 0 | 0 | 111.3 | | |
| 575 | K | 49.8 | Very low | 45.1 | Very low | 281 Ų | 281 | 157.8 Ų | 157.8 | 100% | 1.222 | 84% | 0.841 | S | S | * | * | | | trans | -154.4 | 0 | 174 | -136.1 | -179.5 | -173.1 | -178.9 | 0 | 110.7 | | |