| 1 | M | 47.4 | Very low | 54.2 | Low | 239 Ų | 239 | 141.2 Ų | 141.2 | 100% | 1.177 | 85% | 0.851 | S | S | * | * | | | | 0 | 95.5 | 0 | -69.7 | -179 | 142.7 | 0 | 0 | 108.9 | | |
| 2 | P | 59.5 | Low | 53.4 | Low | 124 Ų | 124 | 139.8 Ų | 139.8 | 81% | 0.805 | 85% | 0.853 | S | S | * | * | | | trans | -103.7 | 116.7 | 168.4 | 32.3 | -21.4 | 0 | 0 | 0 | 109.8 | | |
| 3 | S | 57.5 | Low | 53.2 | Low | 111 Ų | 111 | 135.8 Ų | 135.8 | 78% | 0.776 | 84% | 0.843 | S | S | * | * | | | trans | -88.5 | 113.1 | 176.4 | -60 | 0 | 0 | 0 | 0 | 109.6 | | |
| 4 | S | 64.4 | Low | 53.2 | Low | 116 Ų | 116 | 133.9 Ų | 133.9 | 81% | 0.811 | 84% | 0.837 | S | S | * | * | P | Polyproline II helix | trans | -64.7 | 126.4 | 172.7 | -50.7 | 0 | 0 | 0 | 0 | 110.5 | | |
| 5 | F | 60.7 | Low | 53.2 | Low | 207 Ų | 207 | 132.5 Ų | 132.5 | 91% | 0.908 | 83% | 0.834 | S | S | * | * | P | Polyproline II helix | trans | -71.8 | 129.5 | 170.8 | -73.1 | -82 | 0 | 0 | 0 | 110.1 | | |
| 6 | L | 58.7 | Low | 53 | Low | 163 Ų | 163 | 134.7 Ų | 134.7 | 85% | 0.853 | 83% | 0.831 | S | S | * | * | P | Polyproline II helix | trans | -64.7 | 130.5 | -179.1 | -70.9 | 151.2 | 0 | 0 | 0 | 111 | | |
| 7 | T | 49.5 | Very low | 53.2 | Low | 134 Ų | 134 | 137.1 Ų | 137.1 | 82% | 0.822 | 84% | 0.836 | S | S | * | * | P | Polyproline II helix | trans | -72 | 127.3 | 156.7 | -169 | 0 | 0 | 0 | 0 | 108 | | |
| 8 | S | 52.7 | Low | 53.4 | Low | 115 Ų | 115 | 135.5 Ų | 135.5 | 80% | 0.804 | 83% | 0.832 | S | S | * | * | | | trans | -130 | 122.8 | 169.5 | -95.7 | 0 | 0 | 0 | 0 | 109.4 | | |
| 9 | S | 50.2 | Low | 53.5 | Low | 104 Ų | 104 | 139.7 Ų | 139.7 | 73% | 0.727 | 83% | 0.832 | S | S | * | * | | | trans | -62.3 | 144.8 | -174.8 | -51.5 | 0 | 0 | 0 | 0 | 114.2 | | |
| 10 | S | 45.8 | Very low | 53.5 | Low | 118 Ų | 118 | 141.4 Ų | 141.4 | 83% | 0.825 | 84% | 0.836 | S | S | * | * | | | trans | 17 | 115.6 | 139.5 | -53.4 | 0 | 0 | 0 | 0 | 117.9 | | |
| 11 | S | 49.7 | Very low | 53.8 | Low | 122 Ų | 122 | 142.2 Ų | 142.2 | 85% | 0.853 | 84% | 0.835 | S | S | * | * | | | trans | -147.7 | 110.7 | 155.4 | -70.7 | 0 | 0 | 0 | 0 | 109 | | |
| 12 | S | 44.9 | Very low | 54.4 | Low | 125 Ų | 125 | 136.3 Ų | 136.3 | 87% | 0.874 | 82% | 0.815 | S | S | * | * | | | trans | -60.9 | 129.1 | 175.1 | -51.4 | 0 | 0 | 0 | 0 | 111.4 | | |
| 13 | A | 50.5 | Low | 54.5 | Low | 87 Ų | 87 | 135 Ų | 135 | 72% | 0.719 | 81% | 0.814 | S | S | * | * | | | trans | 176.7 | 144.3 | 145.9 | 0 | 0 | 0 | 0 | 0 | 111 | | |
| 14 | S | 53.8 | Low | 54.7 | Low | 109 Ų | 109 | 141.6 Ų | 141.6 | 76% | 0.762 | 82% | 0.822 | S | S | * | * | | | trans | 88.9 | 96.1 | 157.3 | -27.1 | 0 | 0 | 0 | 0 | 115.7 | | |
| 15 | S | 52.3 | Low | 54.6 | Low | 114 Ų | 114 | 140.9 Ų | 140.9 | 80% | 0.797 | 82% | 0.823 | S | S | * | * | | | | 87.1 | 123.5 | 69.5 | -68.1 | 0 | 0 | 0 | 0 | 114.2 | | |
| 16 | H | 51.2 | Low | 55 | Low | 167 Ų | 167 | 135.3 Ų | 135.3 | 77% | 0.773 | 82% | 0.816 | S | S | * | * | | | trans | 70.4 | 82.8 | 156.3 | -84.9 | -99.4 | 0 | 0 | 0 | 119.3 | | |
| 17 | L | 55.2 | Low | 55.7 | Low | 175 Ų | 175 | 133.2 Ų | 133.2 | 92% | 0.916 | 81% | 0.811 | S | S | * | * | | | trans | -153.6 | 42.4 | 154.7 | -133.5 | 79.1 | 0 | 0 | 0 | 114.4 | | |
| 18 | S | 57 | Low | 56.8 | Low | 109 Ų | 109 | 132.3 Ų | 132.3 | 76% | 0.762 | 81% | 0.808 | S | S | * | * | S | Bend | trans | -130.4 | 13.7 | -178.9 | -51.4 | 0 | 0 | 0 | 0 | 116 | | |
| 19 | Y | 55.4 | Low | 57.9 | Low | 215 Ų | 215 | 132 Ų | 132 | 84% | 0.843 | 80% | 0.803 | S | S | * | * | | | trans | -124.1 | 22.6 | -174 | -83.5 | -74 | 0 | 0 | 0 | 116.5 | | |
| 20 | L | 53.6 | Low | 58.8 | Low | 173 Ų | 173 | 133 Ų | 133 | 91% | 0.906 | 81% | 0.808 | S | S | * | * | | | trans | -114.3 | 64.9 | 175.3 | -67.4 | 170 | 0 | 0 | 0 | 111.6 | | |
| 21 | I | 59.5 | Low | 59.7 | Low | 159 Ų | 159 | 137.5 Ų | 137.5 | 82% | 0.815 | 81% | 0.812 | S | S | * | * | | | trans | -106.2 | 103 | 160 | -58.5 | 173.4 | 0 | 0 | 0 | 106.7 | A23 | I21-A23 PolarHBondContact O-N 3.34Š|
| 22 | P | 60 | Low | 60.3 | Low | 116 Ų | 116 | 136.7 Ų | 136.7 | 75% | 0.753 | 81% | 0.813 | S | S | * | * | P | Polyproline II helix | trans | -67.7 | 120.6 | 173.8 | -15 | 29.2 | 0 | 0 | 0 | 109.6 | R24 | P22-R24 PolarHBondContact O-N 2.85Š|
| 23 | A | 61.6 | Low | 60.8 | Low | 97 Ų | 97 | 140 Ų | 140 | 80% | 0.802 | 82% | 0.817 | S | S | * | * | P | Polyproline II helix | trans | -58.6 | 132.3 | 172.1 | 0 | 0 | 0 | 0 | 0 | 110.4 | I21 A25 | I21-A23 PolarHBondContact O-N 3.34Å; A23-A25 PolarHBondContact O-N 3.2Å |
| 24 | R | 61.3 | Low | 60.7 | Low | 249 Ų | 249 | 138.6 Ų | 138.6 | 94% | 0.94 | 81% | 0.812 | S | S | * | * | P | Polyproline II helix | trans | -55 | 120.7 | 177.7 | -73.5 | 165.1 | 78.5 | -173.2 | 5.8 | 110.1 | P22 A26 | P22-R24 PolarHBondContact O-N 2.85Å; R24-A26 PolarHBondContact O-N 3.34Å |
| 25 | A | 62.4 | Low | 60.5 | Low | 100 Ų | 100 | 142.8 Ų | 142.8 | 83% | 0.826 | 82% | 0.819 | S | S | * | * | P | Polyproline II helix | trans | -64 | 129.3 | 171 | 0 | 0 | 0 | 0 | 0 | 110.4 | A23 | A23-A25 PolarHBondContact O-N 3.2Š|
| 26 | A | 70.8 | Confident | 60.1 | Low | 91 Ų | 91 | 140.2 Ų | 140.2 | 75% | 0.752 | 81% | 0.81 | S | S | * | * | P | Polyproline II helix | trans | -68.9 | 147.9 | 176.5 | 0 | 0 | 0 | 0 | 0 | 111.6 | R24 | R24-A26 PolarHBondContact O-N 3.34Š|
| 27 | P | 71.9 | Confident | 59.9 | Low | 118 Ų | 118 | 143.4 Ų | 143.4 | 77% | 0.766 | 82% | 0.817 | S | S | * | * | P | Polyproline II helix | trans | -72.1 | 149.2 | 177.6 | 29.9 | -34.1 | 0 | 0 | 0 | 112.1 | | |
| 28 | P | 73 | Confident | 59.3 | Low | 115 Ų | 115 | 138.7 Ų | 138.7 | 75% | 0.747 | 81% | 0.811 | S | S | * | * | P | Polyproline II helix | trans | -73.1 | 154.1 | 178.1 | 30.4 | -34.7 | 0 | 0 | 0 | 112.5 | | |
| 29 | P | 76.4 | Confident | 58.5 | Low | 108 Ų | 108 | 138.5 Ų | 138.5 | 70% | 0.701 | 82% | 0.816 | S | S | * | * | P | Polyproline II helix | trans | -71.8 | 154.3 | 179.5 | 30.2 | -35 | 0 | 0 | 0 | 112.6 | | |
| 30 | P | 68 | Low | 58.3 | Low | 127 Ų | 127 | 135.2 Ų | 135.2 | 83% | 0.825 | 82% | 0.818 | S | S | * | * | P | Polyproline II helix | trans | -73.1 | 133.5 | 179.2 | 30 | -32.9 | 0 | 0 | 0 | 111.3 | A32 | P30-A32 PolarHBondContact O-N 3.18Š|
| 31 | F | 65.4 | Low | 58 | Low | 211 Ų | 211 | 133 Ų | 133 | 93% | 0.925 | 82% | 0.817 | S | S | * | * | P | Polyproline II helix | trans | -68.8 | 126.9 | 173.9 | -71.4 | -86.6 | 0 | 0 | 0 | 110.7 | | |
| 32 | A | 62 | Low | 57.3 | Low | 105 Ų | 105 | 129 Ų | 129 | 87% | 0.868 | 82% | 0.816 | S | S | * | * | P | Polyproline II helix | trans | -69.5 | 128 | 175.1 | 0 | 0 | 0 | 0 | 0 | 111.3 | P30 | P30-A32 PolarHBondContact O-N 3.18Š|
| 33 | M | 55.3 | Low | 56.5 | Low | 194 Ų | 194 | 127.8 Ų | 127.8 | 96% | 0.956 | 82% | 0.824 | S | S | * | * | P | Polyproline II helix | trans | -78 | 129.2 | 172.8 | -169.4 | 93.9 | 162.1 | 0 | 0 | 109.6 | | |
| 34 | G | 48.2 | Very low | 55.5 | Low | 59 Ų | 59 | 126.2 Ų | 126.2 | 61% | 0.608 | 82% | 0.817 | S | S | * | * | | | trans | -162.6 | 106.5 | 174.4 | 0 | 0 | 0 | 0 | 0 | 114.2 | | |
| 35 | Q | 50 | Low | 54.7 | Low | 197 Ų | 197 | 121.7 Ų | 121.7 | 92% | 0.921 | 82% | 0.817 | S | S | * | * | | | trans | 45.4 | 134.3 | 136.5 | -62.7 | 141 | 39.2 | 0 | 0 | 118.8 | | |
| 36 | G | 44.9 | Very low | 54.2 | Low | 59 Ų | 59 | 122 Ų | 122 | 61% | 0.608 | 82% | 0.82 | S | S | * | * | | | cis | 176.2 | 159.6 | 13.1 | 0 | 0 | 0 | 0 | 0 | 110.6 | | |
| 37 | Y | 45.4 | Very low | 52.8 | Low | 235 Ų | 235 | 124.8 Ų | 124.8 | 92% | 0.922 | 82% | 0.822 | S | S | * | * | | | trans | 6.7 | 144 | 159 | 63.9 | -85.2 | 0 | 0 | 0 | 122.5 | | |
| 38 | G | 42.8 | Very low | 51.9 | Low | 76 Ų | 76 | 124 Ų | 124 | 78% | 0.784 | 83% | 0.825 | S | S | * | * | | | trans | 165.9 | 75.8 | 159.7 | 0 | 0 | 0 | 0 | 0 | 114.7 | | |
| 39 | A | 39.7 | Very low | 50.5 | Low | 105 Ų | 105 | 123.8 Ų | 123.8 | 87% | 0.868 | 82% | 0.822 | S | S | * | * | | | trans | -87.4 | 132.3 | 168.6 | 0 | 0 | 0 | 0 | 0 | 110 | | |
| 40 | T | 53.2 | Low | 48.9 | Very low | 146 Ų | 146 | 123.8 Ų | 123.8 | 90% | 0.896 | 83% | 0.825 | S | S | * | * | | | trans | -129.9 | 120.5 | 162.6 | 64.1 | 0 | 0 | 0 | 0 | 110 | | |
| 41 | S | 45.6 | Very low | 47.5 | Very low | 126 Ų | 126 | 122.6 Ų | 122.6 | 88% | 0.881 | 83% | 0.825 | S | S | * | * | | | trans | -92.3 | 131.8 | 171.2 | 48.2 | 0 | 0 | 0 | 0 | 109.7 | | |
| 42 | G | 45.9 | Very low | 46.3 | Very low | 76 Ų | 76 | 117.1 Ų | 117.1 | 78% | 0.784 | 82% | 0.819 | S | S | * | * | | | trans | -147 | 116 | 160.5 | 0 | 0 | 0 | 0 | 0 | 106.6 | | |
| 43 | G | 43.2 | Very low | 45.2 | Very low | 89 Ų | 89 | 117.4 Ų | 117.4 | 92% | 0.918 | 82% | 0.822 | S | S | * | * | | | | 82.4 | 122.6 | 86.2 | 0 | 0 | 0 | 0 | 0 | 108.3 | | |
| 44 | G | 40.4 | Very low | 44.9 | Very low | 65 Ų | 65 | 112.6 Ų | 112.6 | 67% | 0.67 | 81% | 0.813 | S | S | * | * | | | cis | 147.1 | 128.3 | 18.6 | 0 | 0 | 0 | 0 | 0 | 106 | | |
| 45 | V | 44.2 | Very low | 45.4 | Very low | 154 Ų | 154 | 115.5 Ų | 115.5 | 93% | 0.933 | 82% | 0.821 | S | S | * | * | | | trans | 62.5 | 113.9 | 157.8 | -52.1 | 0 | 0 | 0 | 0 | 120.3 | | |
| 46 | A | 51.8 | Low | 45.9 | Very low | 107 Ų | 107 | 112 Ų | 112 | 88% | 0.884 | 82% | 0.815 | S | S | * | * | | | trans | -136.6 | 117.6 | 145.2 | 0 | 0 | 0 | 0 | 0 | 109 | | |
| 47 | N | 42.2 | Very low | 46.9 | Very low | 148 Ų | 148 | 114.5 Ų | 114.5 | 79% | 0.791 | 82% | 0.821 | S | S | * | * | | | trans | -74.8 | 134.5 | 178.8 | -178.4 | 11.5 | 0 | 0 | 0 | 110.1 | | |
| 48 | A | 51.9 | Low | 47.4 | Very low | 102 Ų | 102 | 108.5 Ų | 108.5 | 84% | 0.843 | 81% | 0.81 | S | S | * | * | | | trans | -153.7 | 103.3 | 162.6 | 0 | 0 | 0 | 0 | 0 | 111 | | |
| 49 | T | 44.8 | Very low | 47.9 | Very low | 110 Ų | 110 | 117 Ų | 117 | 68% | 0.675 | 82% | 0.819 | S | S | * | * | | | trans | -67.9 | 140.4 | 176.4 | -48 | 0 | 0 | 0 | 0 | 112.3 | | |
| 50 | S | 42.3 | Very low | 48.7 | Very low | 109 Ų | 109 | 120.4 Ų | 120.4 | 76% | 0.762 | 82% | 0.817 | S | S | * | * | | | trans | 66.6 | 124.6 | 146.4 | -62.5 | 0 | 0 | 0 | 0 | 122.8 | | |
| 51 | A | 38.8 | Very low | 48.2 | Very low | 101 Ų | 101 | 117.1 Ų | 117.1 | 84% | 0.835 | 81% | 0.812 | S | S | * | * | | | trans | 93.4 | 140.4 | 133 | 0 | 0 | 0 | 0 | 0 | 119.9 | | |
| 52 | A | 39.8 | Very low | 48.3 | Very low | 97 Ų | 97 | 114.9 Ų | 114.9 | 80% | 0.802 | 80% | 0.801 | S | S | * | * | | | trans | 92 | 98.9 | 165.1 | 0 | 0 | 0 | 0 | 0 | 118.2 | | |
| 53 | A | 38.9 | Very low | 48.9 | Very low | 111 Ų | 111 | 116.5 Ų | 116.5 | 92% | 0.917 | 80% | 0.8 | S | S | * | * | | | trans | -2 | 119.9 | 153 | 0 | 0 | 0 | 0 | 0 | 118.6 | | |
| 54 | A | 49.7 | Very low | 49.5 | Very low | 93 Ų | 93 | 123 Ų | 123 | 77% | 0.769 | 80% | 0.797 | S | S | * | * | | | trans | -141.1 | 147.8 | 167.2 | 0 | 0 | 0 | 0 | 0 | 111.1 | | |
| 55 | P | 57.3 | Low | 50.4 | Low | 119 Ų | 119 | 127.4 Ų | 127.4 | 77% | 0.773 | 81% | 0.805 | S | S | * | * | P | Polyproline II helix | trans | -73.3 | 161.4 | -164.2 | 31.4 | -36 | 0 | 0 | 0 | 113.5 | | |
| 56 | P | 61.2 | Low | 50.6 | Low | 123 Ų | 123 | 124.9 Ų | 124.9 | 80% | 0.799 | 80% | 0.801 | S | S | * | * | P | Polyproline II helix | trans | -68.1 | 142.7 | -174.6 | 28.7 | -34.6 | 0 | 0 | 0 | 112 | | |
| 57 | P | 65.8 | Low | 50.6 | Low | 113 Ų | 113 | 122.9 Ų | 122.9 | 73% | 0.734 | 79% | 0.79 | S | S | * | * | P | Polyproline II helix | trans | -71.4 | 155.7 | -179.8 | 29.4 | -34.2 | 0 | 0 | 0 | 112.3 | R59 | P57-R59 PolarHBondContact O-N 3.15Š|
| 58 | P | 56.7 | Low | 51.1 | Low | 108 Ų | 108 | 119.9 Ų | 119.9 | 70% | 0.701 | 79% | 0.786 | S | S | * | * | P | Polyproline II helix | trans | -67.3 | 135.4 | -175.3 | 28.4 | -33.3 | 0 | 0 | 0 | 110.8 | Q60 | P58-Q60 PolarHBondContact O-N 3.4Š|
| 59 | R | 52.8 | Low | 50.6 | Low | 255 Ų | 255 | 119.4 Ų | 119.4 | 96% | 0.962 | 79% | 0.791 | S | S | * | * | | | trans | -60.5 | 93.4 | 173.6 | -73.7 | 178.5 | 170.1 | -105.7 | 0.4 | 109.9 | P57 G61 | P57-R59 PolarHBondContact O-N 3.15Å; R59-G61 PolarHBondContact O-N 3.48Å |
| 60 | Q | 56.9 | Low | 51.3 | Low | 177 Ų | 177 | 121.1 Ų | 121.1 | 83% | 0.827 | 79% | 0.791 | S | S | * | * | | | trans | -72.7 | 110.1 | 168.3 | -69.1 | -179.4 | 12.8 | 0 | 0 | 108.1 | P58 A62 | P58-Q60 PolarHBondContact O-N 3.4Å; Q60-A62 PolarHBondContact O-N 2.56Å |
| 61 | G | 42.8 | Very low | 52.3 | Low | 77 Ų | 77 | 121.3 Ų | 121.3 | 79% | 0.794 | 79% | 0.79 | S | S | * | * | | | trans | -49.1 | 112.9 | 174.7 | 0 | 0 | 0 | 0 | 0 | 110.2 | R59 S63 | R59-G61 PolarHBondContact O-N 3.48Å; G61-S63 PolarHBondContact O-N 3.04Å; G61-S63 VanDerWaalsContact O-N 3.13Å |
| 62 | A | 47.5 | Very low | 53.6 | Low | 79 Ų | 79 | 121.1 Ų | 121.1 | 65% | 0.653 | 78% | 0.78 | S | S | * | * | | | trans | -49.7 | 115.8 | -176.6 | 0 | 0 | 0 | 0 | 0 | 111.5 | Q60 R64 | Q60-A62 PolarHBondContact O-N 2.56Å; A62-R64 HydrophobicContact CB-CG 4.49Å; A62-R64 PolarHBondContact O-N 2.86Å |
| 63 | S | 57.3 | Low | 54.9 | Low | 109 Ų | 109 | 123.5 Ų | 123.5 | 76% | 0.762 | 78% | 0.778 | S | S | * | * | | | trans | -57.7 | 85 | 160.7 | -176.7 | 0 | 0 | 0 | 0 | 109.3 | G61 N65 | G61-S63 PolarHBondContact O-N 3.04Å; G61-S63 VanDerWaalsContact O-N 3.13Å; S63-N65 PolarHBondContact O-N 2.9Å |
| 64 | R | 57.5 | Low | 56.1 | Low | 227 Ų | 227 | 124.1 Ų | 124.1 | 86% | 0.857 | 77% | 0.773 | S | S | * | * | | | trans | -79.1 | 71.8 | 170.4 | -66.1 | -178.6 | -175.5 | 178.8 | 0.5 | 108.8 | A62 | A62-R64 HydrophobicContact CB-CG 4.49Å; A62-R64 PolarHBondContact O-N 2.86Å |
| 65 | N | 59.3 | Low | 56.7 | Low | 156 Ų | 156 | 129.4 Ų | 129.4 | 83% | 0.834 | 77% | 0.773 | S | S | * | * | | | trans | -168.2 | 50.4 | 160.1 | -97.6 | -30.8 | 0 | 0 | 0 | 110.1 | S63 | S63-N65 PolarHBondContact O-N 2.9Š|
| 66 | A | 48.3 | Very low | 57.1 | Low | 102 Ų | 102 | 127.7 Ų | 127.7 | 84% | 0.843 | 76% | 0.762 | S | S | * | * | | | trans | -100 | 63.9 | 161.9 | 0 | 0 | 0 | 0 | 0 | 108.2 | | |
| 67 | G | 50.1 | Low | 57.4 | Low | 64 Ų | 64 | 125.7 Ų | 125.7 | 66% | 0.66 | 75% | 0.749 | S | S | * | * | | | trans | -89.9 | 104.8 | 171.6 | 0 | 0 | 0 | 0 | 0 | 109.9 | | |
| 68 | A | 53.7 | Low | 57.6 | Low | 85 Ų | 85 | 125.6 Ų | 125.6 | 70% | 0.702 | 75% | 0.749 | S | S | * | * | | | trans | 43.1 | 99.4 | 152.8 | 0 | 0 | 0 | 0 | 0 | 119.1 | H70 | A68-H70 PolarHBondContact O-CE1 2.93Å; A68-H70 PolarHBondContact O-N 3.39Å; A68-H70 PolarHBondContact O-ND1 2.96Å |
| 69 | G | 41.4 | Very low | 58.8 | Low | 93 Ų | 93 | 123.9 Ų | 123.9 | 96% | 0.959 | 73% | 0.728 | S | S | * | * | | | | 74.1 | 30.4 | 112.2 | 0 | 0 | 0 | 0 | 0 | 120.6 | | |
| 70 | H | 58.5 | Low | 60.4 | Low | 146 Ų | 146 | 118 Ų | 118 | 68% | 0.676 | 71% | 0.712 | S | S | * | * | | | trans | -133.6 | 131.1 | 163.6 | 44.9 | -71.4 | 0 | 0 | 0 | 109.2 | A68 | A68-H70 PolarHBondContact O-CE1 2.93Å; A68-H70 PolarHBondContact O-N 3.39Å; A68-H70 PolarHBondContact O-ND1 2.96Å |
| 71 | P | 65 | Low | 61.9 | Low | 113 Ų | 113 | 109.7 Ų | 109.7 | 73% | 0.734 | 67% | 0.673 | S | S | * | * | | | trans | -54.8 | 131.2 | 172.4 | 22.2 | -30.1 | 0 | 0 | 0 | 107.5 | L73 | P71-L73 PolarHBondContact O-N 3.38Š|
| 72 | P | 64.6 | Low | 64 | Low | 96 Ų | 96 | 109.1 Ų | 109.1 | 62% | 0.623 | 66% | 0.655 | S | S | * | * | | | trans | -59 | 114.4 | 178.6 | 22.5 | -30.6 | 0 | 0 | 0 | 107.3 | | |
| 73 | L | 67.5 | Low | 65.7 | Low | 147 Ų | 147 | 107.3 Ų | 107.3 | 77% | 0.77 | 63% | 0.632 | S | S | * | * | | | trans | -47 | 141.4 | 170.1 | -69.9 | 171.9 | 0 | 0 | 0 | 108.2 | P71 R75 | P71-L73 PolarHBondContact O-N 3.38Å; L73-R75 PolarHBondContact O-N 3.33Å |
| 74 | P | 63.9 | Low | 67.2 | Low | 124 Ų | 124 | 104.6 Ų | 104.6 | 81% | 0.805 | 61% | 0.612 | S | S | * | * | | | trans | -48 | 109 | 177.9 | -25.2 | 32.2 | 0 | 0 | 0 | 108.4 | | |
| 75 | R | 62.8 | Low | 68.6 | Low | 204 Ų | 204 | 103.7 Ų | 103.7 | 77% | 0.77 | 61% | 0.609 | S | S | * | * | | | trans | -62.3 | 130.6 | -179.3 | -71.8 | -173.6 | -68.5 | -88.9 | 0.7 | 105.6 | L73 | L73-R75 PolarHBondContact O-N 3.33Š|
| 76 | P | 64.8 | Low | 69.9 | Low | 83 Ų | 83 | 97.1 Ų | 97.1 | 54% | 0.539 | 58% | 0.575 | S | S | . | * | | | trans | -47.9 | 143.1 | 172.1 | -25.5 | 32.4 | 0 | 0 | 0 | 109.2 | | |
| 77 | P | 69 | Low | 72 | Confident | 82 Ų | 82 | 95.3 Ų | 95.3 | 53% | 0.532 | 56% | 0.56 | S | S | . | * | | | trans | -45.6 | 135.7 | -175.1 | 11.4 | -25.4 | 0 | 0 | 0 | 110.5 | R79 | P77-R79 WeakPolarHBondContact O-CG 2.98Å; P77-R79 PolarHBondContact O-N 3.33Å |
| 78 | P | 69.7 | Low | 73.8 | Confident | 111 Ų | 111 | 97 Ų | 97 | 72% | 0.721 | 55% | 0.554 | S | S | * | * | | | trans | -61.2 | 114 | -169.7 | 23.8 | -33.3 | 0 | 0 | 0 | 109.8 | | |
| 79 | R | 80.8 | Confident | 75.6 | Confident | 72 Ų | 72 | 94.2 Ų | 94.2 | 27% | 0.272 | 53% | 0.528 | S | S | . | . | P | Polyproline II helix | trans | -91.5 | 131.2 | -173.7 | -51.5 | -148.7 | -174.1 | -96.3 | 24.8 | 110.6 | P77 T89 W113 E115 | P77-R79 WeakPolarHBondContact O-CG 2.98Å; P77-R79 PolarHBondContact O-N 3.33Å; R79-T89 WeakPolarHBondContact O-CB 3.45Å; R79-T89 WeakPolarHBondContact O-CG2 3.38Å; R79-T89 PolarHBondContact O-OG1 2.91Å; R79-W113 HydrophobicContact CB-CH2 3.47Å; R79-W113 VanDerWaalsContact CB-CH2 3.47Å; R79-W113 HydrophobicContact CB-CZ2 3.87Å; R79-W113 HydrophobicContact CG-CH2 4.44Å; R79-E115 WeakPolarHBondContact CD-OE1 3.26Å; R79-E115 WeakPolarHBondContact CD-OE2 3.2Å; R79-E115 IonicContact CZ-OE1 2.97Å; R79-E115 IonicContact CZ-OE2 2.99Å; R79-E115 IonicContact NE-OE1 2.65Å; R79-E115 PolarHBondContact NE-OE1 3.02Å; R79-E115 IonicContact NE-OE2 3.06Å; R79-E115 PolarHBondContact NE-OE2 3.07Å; R79-E115 IonicContact NH1-OE1 2.65Å; R79-E115 PolarHBondContact NH1-OE1 2.86Å; R79-E115 VanDerWaalsContact NH2-CD 3.34Å; R79-E115 IonicContact NH2-OE1 2.93Å; R79-E115 PolarHBondContact NH2-OE1 2.91Å; R79-E115 IonicContact NH2-OE2 2.87Å; R79-E115 PolarHBondContact NH2-OE2 3.07Å |
| 80 | Q | 87.9 | Confident | 78 | Confident | 132 Ų | 132 | 96.7 Ų | 96.7 | 62% | 0.617 | 51% | 0.512 | S | S | * | . | P | Polyproline II helix | trans | -81.6 | 134.2 | -177.7 | -61.8 | 177.9 | 22.7 | 0 | 0 | 109.5 | P82 | Q80-P82 WeakPolarHBondContact O-CD 3.34Š|
| 81 | C | 88.3 | Confident | 79.6 | Confident | 1 Ų | 1 | 93.5 Ų | 93.5 | 1% | 0.007 | 50% | 0.497 | C | S | . | . | P | Polyproline II helix | trans | -64.6 | 123 | 174.1 | 178.7 | 0 | 0 | 0 | 0 | 109.5 | R83 C84 R85 S86 T89 C106 | C81-R83 PolarHBondContact O-N 3.44Å; C81-C84 PolarHBondContact O-N 3.32Å; C81-C84 VanDerWaalsContact SG-SG 3.63Å; C81-R85 WeakPolarHBondContact O-CA 3.43Å; C81-R85 PolarHBondContact O-N 2.96Å; C81-S86 PolarHBondContact N-O 3.4Å; C81-S86 VanDerWaalsContact N-O 3.08Å; C81-T89 HydrophobicContact CB-CG2 3.86Å; C81-C106 HydrophobicContact CB-CB 3.84Å; C81-C106 VanDerWaalsContact CB-SG 3.59Å; C81-C106 VanDerWaalsContact SG-CB 3.54Å; C81-C106 VanDerWaalsContact SG-SG 3.63Å |
| 82 | P | 86.6 | Confident | 80.8 | Confident | 66 Ų | 66 | 90.9 Ų | 90.9 | 43% | 0.429 | 48% | 0.48 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -64.9 | -16.6 | -179.2 | 25.4 | -34.6 | 0 | 0 | 0 | 113.4 | Q80 W113 L119 | Q80-P82 WeakPolarHBondContact O-CD 3.34Å; P82-W113 HydrophobicContact CG-CE3 4.47Å; P82-L119 HydrophobicContact CB-CD2 4.31Å; P82-L119 HydrophobicContact CG-CD1 3.99Å; P82-L119 HydrophobicContact CG-CD2 4.33Å |
| 83 | R | 83.7 | Confident | 82.2 | Confident | 40 Ų | 40 | 91.2 Ų | 91.2 | 15% | 0.151 | 47% | 0.47 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -85 | -39 | -178.8 | -60.9 | 178.5 | -178.9 | 164.9 | 4.8 | 114 | C81 R111 V122 | C81-R83 PolarHBondContact O-N 3.44Å; R83-R111 VanDerWaalsContact NH1-CG 3.28Å; R83-V122 HydrophobicContact CG-CG1 4.28Å |
| 84 | C | 87.9 | Confident | 83.4 | Confident | 52 Ų | 52 | 89 Ų | 89 | 35% | 0.351 | 45% | 0.452 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -128 | 3.8 | -173.9 | 37.9 | 0 | 0 | 0 | 0 | 113.7 | C81 S86 C106 C109 | C81-C84 PolarHBondContact O-N 3.32Å; C81-C84 VanDerWaalsContact SG-SG 3.63Å; C84-S86 PolarHBondContact O-N 3.27Å; C84-C106 PolarHBondContact SG-SG 3.36Å; C84-C109 WeakPolarHBondContact CB-SG 3.49Å; C84-C109 WeakPolarHBondContact SG-CB 3.48Å; C84-C109 CovalentContact SG-SG 2.07Å; C84-C109 PolarHBondContact SG-SG 3.43Å |
| 85 | R | 87.1 | Confident | 84.7 | Confident | 209 Ų | 209 | 84.8 Ų | 84.8 | 79% | 0.789 | 42% | 0.423 | S | S | * | . | | | trans | 53.8 | 16 | -176.4 | -58.1 | -178.4 | -179.2 | 164.8 | -1 | 114.7 | C81 | C81-R85 WeakPolarHBondContact O-CA 3.43Å; C81-R85 PolarHBondContact O-N 2.96Å |
| 86 | S | 87.5 | Confident | 85.9 | Confident | 18 Ų | 18 | 80.3 Ų | 80.3 | 13% | 0.126 | 41% | 0.414 | C | S | . | . | | | trans | -75.6 | 134.5 | -179.8 | 67.8 | 0 | 0 | 0 | 0 | 111 | C81 C84 N88 C106 | C81-S86 PolarHBondContact N-O 3.4Å; C81-S86 VanDerWaalsContact N-O 3.08Å; C84-S86 PolarHBondContact O-N 3.27Å; S86-N88 PolarHBondContact O-N 3.2Å; S86-C106 PolarHBondContact OG-SG 3.48Å |
| 87 | A | 90.5 | Very high | 86.9 | Confident | 63 Ų | 63 | 87.2 Ų | 87.2 | 52% | 0.521 | 43% | 0.431 | S | S | . | . | S | Bend | trans | -73.3 | -4.3 | 170.4 | 0 | 0 | 0 | 0 | 0 | 113.8 | T89 | A87-T89 PolarHBondContact O-N 3.27Š|
| 88 | N | 89.4 | Confident | 87.7 | Confident | 100 Ų | 100 | 85.4 Ų | 85.4 | 54% | 0.535 | 42% | 0.42 | S | S | . | . | | | trans | -80.6 | 57.4 | -180 | -73.9 | -65.5 | 0 | 0 | 0 | 112.6 | S86 K107 | S86-N88 PolarHBondContact O-N 3.2Å; N88-K107 HydrophobicContact CB-CB 4.21Å; N88-K107 PolarHBondContact O-N 2.82Å |
| 89 | T | 91 | Very high | 88.5 | Confident | 27 Ų | 27 | 90 Ų | 90 | 17% | 0.166 | 42% | 0.423 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.3 | 147.4 | 174.3 | 70.5 | 0 | 0 | 0 | 0 | 110.6 | R79 C81 A87 L105 C106 W113 | R79-T89 WeakPolarHBondContact O-CB 3.45Å; R79-T89 WeakPolarHBondContact O-CG2 3.38Å; R79-T89 PolarHBondContact O-OG1 2.91Å; C81-T89 HydrophobicContact CB-CG2 3.86Å; A87-T89 PolarHBondContact O-N 3.27Å; T89-L105 CarbonylContact C-O 3.49Å; T89-L105 WeakPolarHBondContact CA-O 3.24Å; T89-C106 HydrophobicContact CG2-CB 4.24Å; T89-W113 HydrophobicContact CG2-CZ2 3.81Å |
| 90 | K | 91.9 | Very high | 88.9 | Confident | 144 Ų | 144 | 95.1 Ų | 95.1 | 63% | 0.626 | 45% | 0.45 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -133.3 | 138.3 | 176.5 | -168.1 | -169.5 | 172.4 | -179.1 | 0 | 109 | C92 Y104 L105 | K90-C92 PolarHBondContact O-N 3.32Å; K90-Y104 CarbonylContact O-C 3.59Å; K90-Y104 VanDerWaalsContact O-CA 3.3Å; K90-Y104 WeakPolarHBondContact O-CA 3.21Å; K90-L105 PolarHBondContact N-O 2.93Å; K90-L105 PolarHBondContact O-N 2.9Å |
| 91 | F | 91.1 | Very high | 88.9 | Confident | 79 Ų | 79 | 92.4 Ų | 92.4 | 35% | 0.346 | 44% | 0.437 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -56.4 | 135.7 | 166 | 176 | -97.3 | 0 | 0 | 0 | 110.2 | Y94 P102 Y104 | F91-Y94 HydrophobicContact CE1-CE2 4.32Å; F91-Y94 AromaticContact CE2-CD1 3.95Å; F91-Y94 HydrophobicContact CE2-CD1 3.95Å; F91-Y94 AromaticContact CE2-CE1 3.65Å; F91-Y94 HydrophobicContact CE2-CE1 3.65Å; F91-Y94 HydrophobicContact CE2-CE2 4.32Å; F91-Y94 HydrophobicContact CE2-CG 4.41Å; F91-Y94 AromaticContact CE2-CZ 3.85Å; F91-Y94 AromaticContact CZ-CD1 3.96Å; F91-Y94 HydrophobicContact CZ-CD1 3.96Å; F91-Y94 AromaticContact CZ-CD2 3.79Å; F91-Y94 HydrophobicContact CZ-CD2 3.79Å; F91-Y94 AromaticContact CZ-CE1 3.73Å; F91-Y94 HydrophobicContact CZ-CE1 3.73Å; F91-Y94 AromaticContact CZ-CE2 3.55Å; F91-Y94 HydrophobicContact CZ-CE2 3.55Å; F91-Y94 AromaticContact CZ-CG 3.99Å; F91-Y94 HydrophobicContact CZ-CG 3.99Å; F91-Y94 AromaticContact CZ-CZ 3.52Å; F91-P102 HydrophobicContact CD2-CB 4.05Å; F91-P102 HydrophobicContact CE2-CB 3.74Å; F91-Y104 HydrophobicContact CB-CD1 4.27Å; F91-Y104 HydrophobicContact CB-CE1 4.15Å; F91-Y104 HydrophobicContact CD2-CE1 4.46Å |
| 92 | C | 91.6 | Very high | 89 | Confident | 58 Ų | 58 | 93.4 Ų | 93.4 | 39% | 0.392 | 44% | 0.444 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.6 | -59.8 | -176.4 | -159.9 | 0 | 0 | 0 | 0 | 111.5 | K90 R103 L105 | K90-C92 PolarHBondContact O-N 3.32Å; C92-R103 WeakPolarHBondContact CB-O 2.93Å; C92-R103 PolarHBondContact N-O 3.21Å; C92-L105 HydrophobicContact CB-CB 4.37Å |
| 93 | Y | 93.8 | Very high | 89.3 | Confident | 103 Ų | 103 | 91.7 Ų | 91.7 | 40% | 0.404 | 43% | 0.429 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -166.3 | 169.7 | 179.6 | 62.9 | -83 | 0 | 0 | 0 | 110.4 | R103 | Y93-R103 HydrophobicContact CE1-CB 4.49Å; Y93-R103 VanDerWaalsContact CE2-CD 3.48Å; Y93-R103 WeakPolarHBondContact O-CB 3.49Å; Y93-R103 PolarHBondContact O-N 3.49Å; Y93-R103 VanDerWaalsContact OH-CD 3.29Å; Y93-R103 WeakPolarHBondContact OH-CD 3.47Å |
| 94 | Y | 93.2 | Very high | 89.7 | Confident | 102 Ų | 102 | 90.8 Ų | 90.8 | 40% | 0.4 | 43% | 0.426 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.6 | 132 | 172 | -65.2 | -67.4 | 0 | 0 | 0 | 110.8 | F91 S98 R99 P102 | F91-Y94 HydrophobicContact CE1-CE2 4.32Å; F91-Y94 AromaticContact CE2-CD1 3.95Å; F91-Y94 HydrophobicContact CE2-CD1 3.95Å; F91-Y94 AromaticContact CE2-CE1 3.65Å; F91-Y94 HydrophobicContact CE2-CE1 3.65Å; F91-Y94 HydrophobicContact CE2-CE2 4.32Å; F91-Y94 HydrophobicContact CE2-CG 4.41Å; F91-Y94 AromaticContact CE2-CZ 3.85Å; F91-Y94 AromaticContact CZ-CD1 3.96Å; F91-Y94 HydrophobicContact CZ-CD1 3.96Å; F91-Y94 AromaticContact CZ-CD2 3.79Å; F91-Y94 HydrophobicContact CZ-CD2 3.79Å; F91-Y94 AromaticContact CZ-CE1 3.73Å; F91-Y94 HydrophobicContact CZ-CE1 3.73Å; F91-Y94 AromaticContact CZ-CE2 3.55Å; F91-Y94 HydrophobicContact CZ-CE2 3.55Å; F91-Y94 AromaticContact CZ-CG 3.99Å; F91-Y94 HydrophobicContact CZ-CG 3.99Å; F91-Y94 AromaticContact CZ-CZ 3.52Å; Y94-S98 WeakPolarHBondContact CB-O 3.33Å; Y94-R99 HydrophobicContact CE1-CB 4.32Å; Y94-R99 WeakPolarHBondContact CE1-O 2.9Å; Y94-P102 HydrophobicContact CD1-CB 4.25Å; Y94-P102 HydrophobicContact CE1-CB 4.1Å |
| 95 | N | 89.9 | Confident | 89.9 | Confident | 35 Ų | 35 | 91 Ų | 91 | 19% | 0.187 | 42% | 0.423 | C | S | . | . | G | 310 helix | trans | -74.7 | 142 | 173.6 | -165.1 | 51.8 | 0 | 0 | 0 | 110.4 | Y97 S98 Q101 R103 | N95-Y97 PolarHBondContact O-N 3.21Å; N95-S98 PolarHBondContact O-N 2.96Å; N95-Q101 HydrophobicContact CB-CB 3.75Å; N95-Q101 PolarHBondContact N-O 2.86Å; N95-Q101 PolarHBondContact ND2-OE1 3.46Å; N95-R103 HydrophobicContact CB-CG 4.35Å; N95-R103 VanDerWaalsContact CG-NE 3.35Å; N95-R103 VanDerWaalsContact CG-NH2 3.32Å; N95-R103 PolarHBondContact ND2-NH2 3.48Å; N95-R103 PolarHBondContact OD1-NE 2.67Å; N95-R103 VanDerWaalsContact OD1-NE 3.09Å; N95-R103 PolarHBondContact OD1-NH2 3.39Å |
| 96 | N | 87.8 | Confident | 90.1 | Very high | 109 Ų | 109 | 81.1 Ų | 81.1 | 58% | 0.583 | 39% | 0.386 | S | S | * | . | G | 310 helix | trans | 52.3 | 26.3 | 179.7 | -55.2 | -47.1 | 0 | 0 | 0 | 113.9 | S98 Q101 | N96-S98 PolarHBondContact O-N 3.46Å; N96-S98 PolarHBondContact O-OG 2.88Å; N96-Q101 PolarHBondContact ND2-OE1 3.23Å; N96-Q101 VanDerWaalsContact ND2-OE1 3.12Å |
| 97 | Y | 87.2 | Confident | 90.2 | Very high | 229 Ų | 229 | 86.9 Ų | 86.9 | 90% | 0.898 | 41% | 0.408 | S | S | * | . | G | 310 helix | trans | 58 | 10.1 | -174.1 | -50.2 | -86.4 | 0 | 0 | 0 | 114.5 | N95 | N95-Y97 PolarHBondContact O-N 3.21Š|
| 98 | S | 85.1 | Confident | 90.2 | Very high | 43 Ų | 43 | 87.1 Ų | 87.1 | 30% | 0.301 | 41% | 0.41 | S | S | . | . | | | trans | -88.4 | 123.8 | -179.5 | -42.8 | 0 | 0 | 0 | 0 | 110.6 | Y94 N95 N96 E100 Q101 | Y94-S98 WeakPolarHBondContact CB-O 3.33Å; N95-S98 PolarHBondContact O-N 2.96Å; N96-S98 PolarHBondContact O-N 3.46Å; N96-S98 PolarHBondContact O-OG 2.88Å; S98-E100 PolarHBondContact O-N 3.5Å; S98-E100 VanDerWaalsContact O-N 3.13Å; S98-Q101 PolarHBondContact O-N 3.18Å |
| 99 | R | 87.1 | Confident | 90.1 | Very high | 209 Ų | 209 | 84 Ų | 84 | 79% | 0.789 | 40% | 0.396 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.6 | -21.3 | 176.4 | -67.2 | -171.7 | -177.8 | 169.7 | 2.8 | 113.4 | Y94 Q101 | Y94-R99 HydrophobicContact CE1-CB 4.32Å; Y94-R99 WeakPolarHBondContact CE1-O 2.9Å; R99-Q101 PolarHBondContact O-N 3.37Å |
| 100 | E | 88 | Confident | 90 | Very high | 179 Ų | 179 | 90 Ų | 90 | 84% | 0.836 | 42% | 0.416 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -74.9 | -10.6 | 176.7 | -60 | -178.4 | 166.8 | 0 | 0 | 113.5 | S98 P102 | S98-E100 PolarHBondContact O-N 3.5Å; S98-E100 VanDerWaalsContact O-N 3.13Å; E100-P102 WeakPolarHBondContact O-CD 3.49Å |
| 101 | Q | 88.7 | Confident | 89.9 | Confident | 75 Ų | 75 | 87 Ų | 87 | 35% | 0.35 | 40% | 0.4 | S | S | . | . | | | trans | -119.5 | 61.4 | -178.3 | -58.4 | -174.2 | 17.1 | 0 | 0 | 112.3 | N95 N96 S98 R99 R103 | N95-Q101 HydrophobicContact CB-CB 3.75Å; N95-Q101 PolarHBondContact N-O 2.86Å; N95-Q101 PolarHBondContact ND2-OE1 3.46Å; N96-Q101 PolarHBondContact ND2-OE1 3.23Å; N96-Q101 VanDerWaalsContact ND2-OE1 3.12Å; S98-Q101 PolarHBondContact O-N 3.18Å; R99-Q101 PolarHBondContact O-N 3.37Å; Q101-R103 PolarHBondContact O-N 3.4Å |
| 102 | P | 91.2 | Very high | 89.8 | Confident | 22 Ų | 22 | 87 Ų | 87 | 14% | 0.143 | 40% | 0.401 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -68.3 | 129.8 | 177 | 29.6 | -34.3 | 0 | 0 | 0 | 111.2 | F91 Y94 E100 Y104 | F91-P102 HydrophobicContact CD2-CB 4.05Å; F91-P102 HydrophobicContact CE2-CB 3.74Å; Y94-P102 HydrophobicContact CD1-CB 4.25Å; Y94-P102 HydrophobicContact CE1-CB 4.1Å; E100-P102 WeakPolarHBondContact O-CD 3.49Å; P102-Y104 HydrophobicContact CB-CE2 3.95Å; P102-Y104 HydrophobicContact CG-CE2 4.08Å |
| 103 | R | 91.3 | Very high | 89.7 | Confident | 30 Ų | 30 | 84.9 Ų | 84.9 | 11% | 0.113 | 39% | 0.385 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.2 | 134.1 | 171 | -68.9 | 178 | 177.9 | -95.2 | 8.9 | 110.6 | C92 Y93 N95 Q101 T114 | C92-R103 WeakPolarHBondContact CB-O 2.93Å; C92-R103 PolarHBondContact N-O 3.21Å; Y93-R103 HydrophobicContact CE1-CB 4.49Å; Y93-R103 VanDerWaalsContact CE2-CD 3.48Å; Y93-R103 WeakPolarHBondContact O-CB 3.49Å; Y93-R103 PolarHBondContact O-N 3.49Å; Y93-R103 VanDerWaalsContact OH-CD 3.29Å; Y93-R103 WeakPolarHBondContact OH-CD 3.47Å; N95-R103 HydrophobicContact CB-CG 4.35Å; N95-R103 VanDerWaalsContact CG-NE 3.35Å; N95-R103 VanDerWaalsContact CG-NH2 3.32Å; N95-R103 PolarHBondContact ND2-NH2 3.48Å; N95-R103 PolarHBondContact OD1-NE 2.67Å; N95-R103 VanDerWaalsContact OD1-NE 3.09Å; N95-R103 PolarHBondContact OD1-NH2 3.39Å; Q101-R103 PolarHBondContact O-N 3.4Å; R103-T114 HydrophobicContact CG-CG2 3.79Å |
| 104 | Y | 92.3 | Very high | 89.5 | Confident | 21 Ų | 21 | 81.7 Ų | 81.7 | 8% | 0.082 | 38% | 0.377 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.9 | 138.3 | 177.8 | -62.8 | -90.4 | 0 | 0 | 0 | 110.4 | K90 F91 P102 H112 W113 E115 | K90-Y104 CarbonylContact O-C 3.59Å; K90-Y104 VanDerWaalsContact O-CA 3.3Å; K90-Y104 WeakPolarHBondContact O-CA 3.21Å; F91-Y104 HydrophobicContact CB-CD1 4.27Å; F91-Y104 HydrophobicContact CB-CE1 4.15Å; F91-Y104 HydrophobicContact CD2-CE1 4.46Å; P102-Y104 HydrophobicContact CB-CE2 3.95Å; P102-Y104 HydrophobicContact CG-CE2 4.08Å; Y104-H112 CarbonylContact O-C 3.5Å; Y104-H112 VanDerWaalsContact O-CA 3.24Å; Y104-H112 WeakPolarHBondContact O-CA 3.43Å; Y104-W113 VanDerWaalsContact CB-CZ2 3.44Å; Y104-W113 HydrophobicContact CD1-CZ2 4.3Å; Y104-W113 AromaticContact CD2-CH2 3.78Å; Y104-W113 HydrophobicContact CD2-CH2 3.78Å; Y104-W113 HydrophobicContact CD2-CZ2 4.01Å; Y104-W113 HydrophobicContact CD2-CZ3 4.09Å; Y104-W113 HydrophobicContact CE2-CH2 4.37Å; Y104-W113 AromaticContact CG-CH2 3.91Å; Y104-W113 HydrophobicContact CG-CH2 3.91Å; Y104-W113 AromaticContact CG-CZ2 3.67Å; Y104-W113 HydrophobicContact CG-CZ2 3.67Å; Y104-W113 PolarHBondContact N-O 3.12Å; Y104-W113 VanDerWaalsContact O-CD1 3.31Å; Y104-W113 PolarHBondContact O-N 3.02Å; Y104-E115 HydrophobicContact CD2-CB 4.32Å; Y104-E115 HydrophobicContact CE2-CB 3.74Å |
| 105 | L | 91.4 | Very high | 88.8 | Confident | 57 Ų | 57 | 80.3 Ų | 80.3 | 30% | 0.298 | 37% | 0.374 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.5 | 123.2 | 171.1 | 178.9 | 61.8 | 0 | 0 | 0 | 109.5 | T89 K90 C92 | T89-L105 CarbonylContact C-O 3.49Å; T89-L105 WeakPolarHBondContact CA-O 3.24Å; K90-L105 PolarHBondContact N-O 2.93Å; K90-L105 PolarHBondContact O-N 2.9Å; C92-L105 HydrophobicContact CB-CB 4.37Å |
| 106 | C | 91.8 | Very high | 88.2 | Confident | 0 Ų | 0 | 82.9 Ų | 82.9 | 0% | 0 | 41% | 0.408 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.5 | 122.3 | 168.1 | 175.1 | 0 | 0 | 0 | 0 | 110.2 | C81 C84 S86 T89 C109 R110 R111 | C81-C106 HydrophobicContact CB-CB 3.84Å; C81-C106 VanDerWaalsContact CB-SG 3.59Å; C81-C106 VanDerWaalsContact SG-CB 3.54Å; C81-C106 VanDerWaalsContact SG-SG 3.63Å; C84-C106 PolarHBondContact SG-SG 3.36Å; S86-C106 PolarHBondContact OG-SG 3.48Å; T89-C106 HydrophobicContact CG2-CB 4.24Å; C106-C109 HydrophobicContact CB-CB 4.11Å; C106-C109 PolarHBondContact SG-N 3.47Å; C106-R110 WeakPolarHBondContact O-CA 3.16Å; C106-R110 PolarHBondContact O-N 2.98Å; C106-R111 PolarHBondContact N-O 2.9Å; C106-R111 PolarHBondContact O-N 3.02Å |
| 107 | K | 90.4 | Very high | 87.6 | Confident | 139 Ų | 139 | 79.6 Ų | 79.6 | 60% | 0.604 | 40% | 0.4 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68.5 | -38.2 | 178.7 | -67.3 | -179 | 178.3 | 177.7 | 0 | 112.6 | N88 R110 | N88-K107 HydrophobicContact CB-CB 4.21Å; N88-K107 PolarHBondContact O-N 2.82Å; K107-R110 WeakPolarHBondContact O-CG 3.47Å |
| 108 | A | 89.5 | Confident | 86.7 | Confident | 68 Ų | 68 | 74.8 Ų | 74.8 | 56% | 0.562 | 40% | 0.395 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67.5 | -47.5 | 179.8 | 0 | 0 | 0 | 0 | 0 | 111.7 | | |
| 109 | C | 87.4 | Confident | 86 | Confident | 35 Ų | 35 | 75.4 Ų | 75.4 | 24% | 0.236 | 39% | 0.394 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -85.8 | -10.3 | -178.7 | -75.2 | 0 | 0 | 0 | 0 | 113.8 | C84 C106 R111 | C84-C109 WeakPolarHBondContact CB-SG 3.49Å; C84-C109 WeakPolarHBondContact SG-CB 3.48Å; C84-C109 CovalentContact SG-SG 2.07Å; C84-C109 PolarHBondContact SG-SG 3.43Å; C106-C109 HydrophobicContact CB-CB 4.11Å; C106-C109 PolarHBondContact SG-N 3.47Å; C109-R111 HydrophobicContact CB-CB 4.2Å; C109-R111 WeakPolarHBondContact O-CB 3.01Å; C109-R111 WeakPolarHBondContact O-CG 3.29Å; C109-R111 PolarHBondContact O-N 2.92Å |
| 110 | R | 89.4 | Confident | 85.3 | Confident | 153 Ų | 153 | 72.6 Ų | 72.6 | 58% | 0.577 | 38% | 0.384 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 44.8 | 45.5 | -171.9 | -64.8 | -172 | -64.6 | 153.2 | 6.8 | 113.5 | C106 K107 N130 | C106-R110 WeakPolarHBondContact O-CA 3.16Å; C106-R110 PolarHBondContact O-N 2.98Å; K107-R110 WeakPolarHBondContact O-CG 3.47Å; R110-N130 PolarHBondContact NH1-ND2 3.42Å; R110-N130 PolarHBondContact NH2-ND2 3.32Å; R110-N130 PolarHBondContact NH2-OD1 2.93Å |
| 111 | R | 88.9 | Confident | 83.7 | Confident | 80 Ų | 80 | 71.6 Ų | 71.6 | 30% | 0.302 | 38% | 0.384 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.1 | 136.7 | -168.2 | -97.6 | 165.8 | 175.5 | -87.1 | 1.1 | 109.9 | R83 C106 C109 G126 | R83-R111 VanDerWaalsContact NH1-CG 3.28Å; C106-R111 PolarHBondContact N-O 2.9Å; C106-R111 PolarHBondContact O-N 3.02Å; C109-R111 HydrophobicContact CB-CB 4.2Å; C109-R111 WeakPolarHBondContact O-CB 3.01Å; C109-R111 WeakPolarHBondContact O-CG 3.29Å; C109-R111 PolarHBondContact O-N 2.92Å; R111-G126 PolarHBondContact NE-O 2.92Å; R111-G126 PolarHBondContact NH2-O 3.02Å |
| 112 | H | 90.7 | Very high | 82.1 | Confident | 80 Ų | 80 | 69.7 Ų | 69.7 | 37% | 0.37 | 38% | 0.378 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.6 | 143.9 | 173.8 | -58.8 | 102.5 | 0 | 0 | 0 | 111.1 | Y104 | Y104-H112 CarbonylContact O-C 3.5Å; Y104-H112 VanDerWaalsContact O-CA 3.24Å; Y104-H112 WeakPolarHBondContact O-CA 3.43Å |
| 113 | W | 88.5 | Confident | 80.8 | Confident | 14 Ų | 14 | 73.7 Ų | 73.7 | 5% | 0.053 | 40% | 0.404 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.7 | 162.5 | 174.7 | 66.2 | -83.7 | 0 | 0 | 0 | 109.6 | R79 P82 T89 Y104 E115 | R79-W113 HydrophobicContact CB-CH2 3.47Å; R79-W113 VanDerWaalsContact CB-CH2 3.47Å; R79-W113 HydrophobicContact CB-CZ2 3.87Å; R79-W113 HydrophobicContact CG-CH2 4.44Å; P82-W113 HydrophobicContact CG-CE3 4.47Å; T89-W113 HydrophobicContact CG2-CZ2 3.81Å; Y104-W113 VanDerWaalsContact CB-CZ2 3.44Å; Y104-W113 HydrophobicContact CD1-CZ2 4.3Å; Y104-W113 AromaticContact CD2-CH2 3.78Å; Y104-W113 HydrophobicContact CD2-CH2 3.78Å; Y104-W113 HydrophobicContact CD2-CZ2 4.01Å; Y104-W113 HydrophobicContact CD2-CZ3 4.09Å; Y104-W113 HydrophobicContact CE2-CH2 4.37Å; Y104-W113 AromaticContact CG-CH2 3.91Å; Y104-W113 HydrophobicContact CG-CH2 3.91Å; Y104-W113 AromaticContact CG-CZ2 3.67Å; Y104-W113 HydrophobicContact CG-CZ2 3.67Å; Y104-W113 PolarHBondContact N-O 3.12Å; Y104-W113 VanDerWaalsContact O-CD1 3.31Å; Y104-W113 PolarHBondContact O-N 3.02Å; W113-E115 HydrophobicContact CH2-CB 4.47Å; W113-E115 HydrophobicContact CZ3-CB 3.99Å |
| 114 | T | 89 | Confident | 79.2 | Confident | 36 Ų | 36 | 78.4 Ų | 78.4 | 22% | 0.221 | 44% | 0.435 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.5 | 140.5 | -179.3 | 42.5 | 0 | 0 | 0 | 0 | 109.2 | R103 | R103-T114 HydrophobicContact CG-CG2 3.79Å |
| 115 | E | 79.9 | Confident | 77.8 | Confident | 73 Ų | 73 | 80.9 Ų | 80.9 | 34% | 0.341 | 47% | 0.467 | S | S | . | . | S | Bend | trans | -75.1 | 135.3 | 173.4 | 177.8 | 173.7 | -151 | 0 | 0 | 110.6 | R79 Y104 W113 G117 | R79-E115 WeakPolarHBondContact CD-OE1 3.26Å; R79-E115 WeakPolarHBondContact CD-OE2 3.2Å; R79-E115 IonicContact CZ-OE1 2.97Å; R79-E115 IonicContact CZ-OE2 2.99Å; R79-E115 IonicContact NE-OE1 2.65Å; R79-E115 PolarHBondContact NE-OE1 3.02Å; R79-E115 IonicContact NE-OE2 3.06Å; R79-E115 PolarHBondContact NE-OE2 3.07Å; R79-E115 IonicContact NH1-OE1 2.65Å; R79-E115 PolarHBondContact NH1-OE1 2.86Å; R79-E115 VanDerWaalsContact NH2-CD 3.34Å; R79-E115 IonicContact NH2-OE1 2.93Å; R79-E115 PolarHBondContact NH2-OE1 2.91Å; R79-E115 IonicContact NH2-OE2 2.87Å; R79-E115 PolarHBondContact NH2-OE2 3.07Å; Y104-E115 HydrophobicContact CD2-CB 4.32Å; Y104-E115 HydrophobicContact CE2-CB 3.74Å; W113-E115 HydrophobicContact CH2-CB 4.47Å; W113-E115 HydrophobicContact CZ3-CB 3.99Å; E115-G117 PolarHBondContact O-N 2.87Å |
| 116 | G | 77.6 | Confident | 76.3 | Confident | 88 Ų | 88 | 80.1 Ų | 80.1 | 91% | 0.907 | 47% | 0.473 | S | S | * | . | S | Bend | trans | 71.2 | -14.3 | 175.9 | 0 | 0 | 0 | 0 | 0 | 116 | | |
| 117 | G | 74.5 | Confident | 75 | Confident | 40 Ų | 40 | 82.9 Ų | 82.9 | 41% | 0.412 | 50% | 0.502 | S | S | . | . | S | Bend | trans | -77.1 | 150.1 | 172.1 | 0 | 0 | 0 | 0 | 0 | 112.1 | E115 L119 | E115-G117 PolarHBondContact O-N 2.87Å; G117-L119 PolarHBondContact O-N 2.95Å |
| 118 | T | 68.2 | Low | 73.7 | Confident | 128 Ų | 128 | 86.4 Ų | 86.4 | 79% | 0.785 | 51% | 0.511 | S | S | * | . | | | trans | -51.6 | 120.3 | 167.7 | -46.8 | 0 | 0 | 0 | 0 | 108.2 | R120 | T118-R120 PolarHBondContact O-N 3.48Š|
| 119 | L | 69.7 | Low | 72.3 | Confident | 57 Ų | 57 | 92.8 Ų | 92.8 | 30% | 0.298 | 53% | 0.526 | S | S | . | . | | | trans | -60.4 | 110.4 | 172 | -177.1 | 66.9 | 0 | 0 | 0 | 105.5 | P82 G117 D121 V122 | P82-L119 HydrophobicContact CB-CD2 4.31Å; P82-L119 HydrophobicContact CG-CD1 3.99Å; P82-L119 HydrophobicContact CG-CD2 4.33Å; G117-L119 PolarHBondContact O-N 2.95Å; L119-D121 WeakPolarHBondContact O-CA 3.46Å; L119-D121 PolarHBondContact O-N 3.45Å; L119-V122 HydrophobicContact CD2-CB 4.39Å |
| 120 | R | 72.2 | Confident | 70.9 | Confident | 150 Ų | 150 | 94.7 Ų | 94.7 | 57% | 0.566 | 53% | 0.534 | S | S | * | . | | | trans | -42.2 | 114.4 | 168.7 | -65.8 | 179.7 | 178.6 | 81.1 | 2.6 | 106.1 | T118 V122 | T118-R120 PolarHBondContact O-N 3.48Å; R120-V122 WeakPolarHBondContact O-CG2 3.29Å; R120-V122 PolarHBondContact O-N 3.01Å |
| 121 | D | 56 | Low | 69.1 | Low | 158 Ų | 158 | 99 Ų | 99 | 85% | 0.845 | 55% | 0.55 | S | S | * | * | | | trans | -42.8 | 107.9 | -162.4 | -72.8 | -78.5 | 0 | 0 | 0 | 111.8 | L119 | L119-D121 WeakPolarHBondContact O-CA 3.46Å; L119-D121 PolarHBondContact O-N 3.45Å |
| 122 | V | 53.6 | Low | 67.5 | Low | 35 Ų | 35 | 105.4 Ų | 105.4 | 21% | 0.212 | 58% | 0.575 | C | S | . | * | | | trans | -124.1 | 105.3 | -178.8 | 179 | 0 | 0 | 0 | 0 | 108.6 | R83 L119 R120 V124 | R83-V122 HydrophobicContact CG-CG1 4.28Å; L119-V122 HydrophobicContact CD2-CB 4.39Å; R120-V122 WeakPolarHBondContact O-CG2 3.29Å; R120-V122 PolarHBondContact O-N 3.01Å; V122-V124 PolarHBondContact O-N 3.12Å |
| 123 | P | 64.3 | Low | 65.5 | Low | 106 Ų | 106 | 105.6 Ų | 105.6 | 69% | 0.688 | 60% | 0.598 | S | S | * | * | | | trans | -57.3 | 139.8 | 169.2 | 22.2 | -31.6 | 0 | 0 | 0 | 110.3 | G125 G126 | P123-G125 VanDerWaalsContact C-N 3.31Å; P123-G125 PolarHBondContact O-N 3.45Å; P123-G126 PolarHBondContact O-N 2.91Å |
| 124 | V | 58.1 | Low | 63.5 | Low | 129 Ų | 129 | 109.3 Ų | 109.3 | 78% | 0.782 | 63% | 0.631 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -64.5 | 90.2 | 177.5 | -178.2 | 0 | 0 | 0 | 0 | 108.2 | V122 | V122-V124 PolarHBondContact O-N 3.12Š|
| 125 | G | 62.7 | Low | 61.6 | Low | 73 Ų | 73 | 117.7 Ų | 117.7 | 75% | 0.753 | 67% | 0.665 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 155 | -11.9 | -178.5 | 0 | 0 | 0 | 0 | 0 | 117.2 | P123 G127 | P123-G125 VanDerWaalsContact C-N 3.31Å; P123-G125 PolarHBondContact O-N 3.45Å; G125-G127 PolarHBondContact O-N 3.4Å |
| 126 | G | 60.3 | Low | 60.1 | Low | 40 Ų | 40 | 118 Ų | 118 | 41% | 0.412 | 69% | 0.688 | S | S | . | * | | | trans | -74.7 | 34.1 | -174.4 | 0 | 0 | 0 | 0 | 0 | 117 | R111 P123 R128 | R111-G126 PolarHBondContact NE-O 2.92Å; R111-G126 PolarHBondContact NH2-O 3.02Å; P123-G126 PolarHBondContact O-N 2.91Å; G126-R128 PolarHBondContact O-N 3.24Å |
| 127 | G | 64.8 | Low | 58.6 | Low | 59 Ų | 59 | 117.7 Ų | 117.7 | 61% | 0.608 | 69% | 0.685 | S | S | * | * | | | trans | -63.7 | 126.4 | 178.3 | 0 | 0 | 0 | 0 | 0 | 112.2 | G125 K129 | G125-G127 PolarHBondContact O-N 3.4Å; G127-K129 PolarHBondContact O-N 2.83Å |
| 128 | R | 61.9 | Low | 57.4 | Low | 212 Ų | 212 | 120.4 Ų | 120.4 | 80% | 0.8 | 70% | 0.703 | S | S | * | * | | | trans | -65.9 | 104.9 | 172.9 | -163.6 | -178.5 | -170 | -135.7 | 5 | 108 | G126 N130 | G126-R128 PolarHBondContact O-N 3.24Å; R128-N130 PolarHBondContact O-N 2.84Å; R128-N130 VanDerWaalsContact O-N 3.12Å |
| 129 | K | 60.9 | Low | 56.7 | Low | 202 Ų | 202 | 118.9 Ų | 118.9 | 88% | 0.878 | 70% | 0.704 | S | S | * | * | | | trans | -64.9 | 111 | 174.1 | -158.9 | 166 | -172.1 | 174.8 | 0 | 107.4 | G127 R131 | G127-K129 PolarHBondContact O-N 2.83Å; K129-R131 VanDerWaalsContact C-N 3.32Å; K129-R131 PolarHBondContact O-N 2.07Å |
| 130 | N | 58.7 | Low | 55.9 | Low | 76 Ų | 76 | 120.5 Ų | 120.5 | 41% | 0.406 | 73% | 0.725 | S | S | . | * | | | trans | -68.6 | 89.7 | 175 | -98.2 | 31 | 0 | 0 | 0 | 108.5 | R110 R128 R132 | R110-N130 PolarHBondContact NH1-ND2 3.42Å; R110-N130 PolarHBondContact NH2-ND2 3.32Å; R110-N130 PolarHBondContact NH2-OD1 2.93Å; R128-N130 PolarHBondContact O-N 2.84Å; R128-N130 VanDerWaalsContact O-N 3.12Å; N130-R132 PolarHBondContact O-N 2.78Å |
| 131 | R | 50.6 | Low | 54.9 | Low | 243 Ų | 243 | 123.5 Ų | 123.5 | 92% | 0.917 | 74% | 0.742 | S | S | * | * | | | trans | -75.9 | 80 | 162.6 | -143.8 | -175.6 | -158.7 | -174.8 | 6.3 | 107.1 | K129 G133 | K129-R131 VanDerWaalsContact C-N 3.32Å; K129-R131 PolarHBondContact O-N 2.07Å; R131-G133 PolarHBondContact O-N 3.4Å |
| 132 | R | 55.5 | Low | 54.5 | Low | 215 Ų | 215 | 119.5 Ų | 119.5 | 81% | 0.811 | 74% | 0.738 | S | S | * | * | | | trans | -62.3 | 127.4 | 157.3 | -77.8 | -175.2 | -179.3 | -169.2 | 0.8 | 105.5 | N130 A134 | N130-R132 PolarHBondContact O-N 2.78Å; R132-A134 PolarHBondContact O-N 3.06Å |
| 133 | G | 48.5 | Very low | 54.5 | Low | 83 Ų | 83 | 123.9 Ų | 123.9 | 86% | 0.856 | 77% | 0.77 | S | S | * | * | | | trans | -50 | 111.8 | -173.1 | 0 | 0 | 0 | 0 | 0 | 112.1 | R131 | R131-G133 PolarHBondContact O-N 3.4Š|
| 134 | A | 47.6 | Very low | 53.9 | Low | 92 Ų | 92 | 123.2 Ų | 123.2 | 76% | 0.76 | 77% | 0.774 | S | S | * | * | | | trans | -96.6 | 107 | 152.9 | 0 | 0 | 0 | 0 | 0 | 105.4 | R132 | R132-A134 PolarHBondContact O-N 3.06Š|
| 135 | K | 48.2 | Very low | 53.5 | Low | 213 Ų | 213 | 122.9 Ų | 122.9 | 93% | 0.926 | 78% | 0.777 | S | S | * | * | | | trans | -58 | 132.5 | 161.8 | -77.9 | 177.2 | 169.7 | -178.2 | 0 | 107.8 | | |
| 136 | G | 48.1 | Very low | 52.9 | Low | 80 Ų | 80 | 124.1 Ų | 124.1 | 83% | 0.825 | 78% | 0.78 | S | S | * | * | | | trans | 94.6 | 135.9 | 157.9 | 0 | 0 | 0 | 0 | 0 | 116.5 | | |
| 137 | G | 46.7 | Very low | 52.4 | Low | 81 Ų | 81 | 126.9 Ų | 126.9 | 84% | 0.835 | 80% | 0.799 | S | S | * | * | | | trans | 115.7 | 81.7 | 150.2 | 0 | 0 | 0 | 0 | 0 | 116.4 | | |
| 138 | A | 49.5 | Very low | 51.7 | Low | 97 Ų | 97 | 128.8 Ų | 128.8 | 80% | 0.802 | 81% | 0.809 | S | S | * | * | | | trans | 9.4 | 132.2 | 140.6 | 0 | 0 | 0 | 0 | 0 | 120.3 | | |
| 139 | A | 52.4 | Low | 51.2 | Low | 96 Ų | 96 | 123.2 Ų | 123.2 | 79% | 0.793 | 81% | 0.809 | S | S | * | * | | | | 71.4 | 123.9 | 129.3 | 0 | 0 | 0 | 0 | 0 | 121.6 | | |
| 140 | A | 53.3 | Low | 50.8 | Low | 91 Ų | 91 | 118.4 Ų | 118.4 | 75% | 0.752 | 81% | 0.807 | S | S | * | * | | | | 85 | 111.4 | 129.4 | 0 | 0 | 0 | 0 | 0 | 120.2 | | |
| 141 | K | 52 | Low | 50.3 | Low | 213 Ų | 213 | 121.1 Ų | 121.1 | 93% | 0.926 | 83% | 0.828 | S | S | * | * | | | | 159.2 | 113.3 | 119.5 | -86.5 | 171.3 | 179.2 | -177.9 | 0 | 105.8 | | |
| 142 | G | 47.1 | Very low | 50.1 | Low | 73 Ų | 73 | 114.2 Ų | 114.2 | 75% | 0.753 | 82% | 0.823 | S | S | * | * | | | cis | 116.8 | 109.5 | 39.8 | 0 | 0 | 0 | 0 | 0 | 105.9 | | |
| 143 | S | 53.3 | Low | 49.9 | Very low | 127 Ų | 127 | 112.5 Ų | 112.5 | 89% | 0.888 | 82% | 0.824 | S | S | * | * | | | trans | -169.8 | 137.8 | 165.5 | -78.7 | 0 | 0 | 0 | 0 | 110.2 | | |
| 144 | A | 50.8 | Low | 49.8 | Very low | 92 Ų | 92 | 117.8 Ų | 117.8 | 76% | 0.76 | 83% | 0.827 | S | S | * | * | | | trans | 91.1 | 76.4 | 169.8 | 0 | 0 | 0 | 0 | 0 | 117.9 | | |
| 145 | S | 49.6 | Very low | 49.4 | Very low | 122 Ų | 122 | 117.3 Ų | 117.3 | 85% | 0.853 | 83% | 0.831 | S | S | * | * | | | | 57.7 | 127 | 114.7 | -50.9 | 0 | 0 | 0 | 0 | 122 | | |
| 146 | A | 50.5 | Low | 48.9 | Very low | 99 Ų | 99 | 110.6 Ų | 110.6 | 82% | 0.818 | 82% | 0.822 | S | S | * | * | | | trans | 100.8 | 120 | 139.3 | 0 | 0 | 0 | 0 | 0 | 119.2 | | |
| 147 | A | 51.2 | Low | 49 | Very low | 99 Ų | 99 | 115 Ų | 115 | 82% | 0.818 | 83% | 0.826 | S | S | * | * | | | trans | 86 | 103.3 | 145.8 | 0 | 0 | 0 | 0 | 0 | 120 | | |
| 148 | A | 50 | Low | 48.9 | Very low | 98 Ų | 98 | 117.1 Ų | 117.1 | 81% | 0.81 | 82% | 0.823 | S | S | * | * | | | | 80.2 | 114.6 | 124.5 | 0 | 0 | 0 | 0 | 0 | 120.8 | | |
| 149 | A | 50.6 | Low | 49.1 | Very low | 96 Ų | 96 | 120.8 Ų | 120.8 | 79% | 0.793 | 83% | 0.828 | S | S | * | * | | | trans | 82.2 | 105.6 | 133.3 | 0 | 0 | 0 | 0 | 0 | 120.9 | | |
| 150 | A | 53.4 | Low | 48.7 | Very low | 101 Ų | 101 | 119.7 Ų | 119.7 | 84% | 0.835 | 83% | 0.826 | S | S | * | * | | | trans | 70.9 | 131.3 | 138 | 0 | 0 | 0 | 0 | 0 | 121.6 | | |
| 151 | P | 48.4 | Very low | 48.5 | Very low | 132 Ų | 132 | 119.4 Ų | 119.4 | 86% | 0.857 | 82% | 0.824 | S | S | * | * | | | trans | -120 | 137.9 | 158 | 36.1 | -22.6 | 0 | 0 | 0 | 113 | | |
| 152 | A | 46.6 | Very low | 48.5 | Very low | 98 Ų | 98 | 115.9 Ų | 115.9 | 81% | 0.81 | 82% | 0.815 | S | S | * | * | | | trans | -161.6 | 152 | 162.6 | 0 | 0 | 0 | 0 | 0 | 112.4 | | |
| 153 | Q | 50 | Low | 49.1 | Very low | 180 Ų | 180 | 118.6 Ų | 118.6 | 84% | 0.841 | 82% | 0.818 | S | S | * | * | | | trans | 80.9 | 108.9 | 176 | -76.6 | 173.6 | -110.5 | 0 | 0 | 117.4 | | |
| 154 | Q | 46 | Very low | 49.1 | Very low | 193 Ų | 193 | 120.5 Ų | 120.5 | 90% | 0.902 | 81% | 0.81 | S | S | * | * | | | | 72 | 122.5 | 57.9 | -73 | -173.9 | -21.9 | 0 | 0 | 115.2 | | |
| 155 | G | 39.3 | Very low | 49.4 | Very low | 83 Ų | 83 | 122.1 Ų | 122.1 | 86% | 0.856 | 81% | 0.813 | S | S | * | * | | | trans | 139.5 | 108.7 | 171.6 | 0 | 0 | 0 | 0 | 0 | 108.7 | | |
| 156 | G | 38.3 | Very low | 50.1 | Low | 71 Ų | 71 | 118.9 Ų | 118.9 | 73% | 0.732 | 80% | 0.799 | S | S | * | * | | | cis | 112.6 | 84.9 | 28.1 | 0 | 0 | 0 | 0 | 0 | 108 | | |
| 157 | N | 51 | Low | 50.7 | Low | 172 Ų | 172 | 119 Ų | 119 | 92% | 0.92 | 79% | 0.786 | S | S | * | * | | | trans | -162.6 | 109.5 | 151.5 | -102.4 | -9 | 0 | 0 | 0 | 110.2 | | |
| 158 | V | 44.6 | Very low | 51.3 | Low | 127 Ų | 127 | 121 Ų | 121 | 77% | 0.77 | 78% | 0.782 | S | S | * | * | | | trans | -89.8 | 160.1 | 163 | -77.4 | 0 | 0 | 0 | 0 | 108.6 | | |
| 159 | L | 52.8 | Low | 52.2 | Low | 174 Ų | 174 | 122.8 Ų | 122.8 | 91% | 0.911 | 78% | 0.777 | S | S | * | * | | | trans | 127.4 | 125.2 | 154.1 | -64.8 | 173.6 | 0 | 0 | 0 | 114.6 | | |
| 160 | G | 43.2 | Very low | 53 | Low | 72 Ų | 72 | 126.6 Ų | 126.6 | 74% | 0.742 | 77% | 0.771 | S | S | * | * | | | trans | 88.3 | 91.9 | 154 | 0 | 0 | 0 | 0 | 0 | 115.3 | | |
| 161 | A | 50.7 | Low | 53.5 | Low | 86 Ų | 86 | 127.9 Ų | 127.9 | 71% | 0.711 | 76% | 0.76 | S | S | * | * | | | | 66.8 | 105.8 | 80.7 | 0 | 0 | 0 | 0 | 0 | 113.5 | | |
| 162 | D | 51.5 | Low | 54.3 | Low | 138 Ų | 138 | 128.5 Ų | 128.5 | 74% | 0.738 | 76% | 0.755 | S | S | * | * | | | trans | 59.4 | 81.9 | 148.7 | -50.6 | -60.5 | 0 | 0 | 0 | 118.8 | F164 | D162-F164 HydrophobicContact CB-CE2 4.39Š|
| 163 | T | 59.1 | Low | 55.4 | Low | 131 Ų | 131 | 129.2 Ų | 129.2 | 80% | 0.804 | 75% | 0.749 | S | S | * | * | | | trans | -103.9 | 105.8 | 156.8 | -52.3 | 0 | 0 | 0 | 0 | 109.5 | | |
| 164 | F | 52.9 | Low | 56.1 | Low | 166 Ų | 166 | 127.3 Ų | 127.3 | 73% | 0.728 | 74% | 0.74 | S | S | * | * | | | trans | -63.9 | 149.8 | 177.7 | -76.1 | -91.6 | 0 | 0 | 0 | 112 | D162 G166 | D162-F164 HydrophobicContact CB-CE2 4.39Å; F164-G166 PolarHBondContact O-N 2.94Å |
| 165 | P | 58.1 | Low | 56.3 | Low | 126 Ų | 126 | 126.1 Ų | 126.1 | 82% | 0.818 | 73% | 0.732 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -73.1 | 21.7 | -170.6 | 29.1 | -34.5 | 0 | 0 | 0 | 116 | | |
| 166 | G | 63.3 | Low | 56.8 | Low | 54 Ų | 54 | 130.2 Ų | 130.2 | 56% | 0.557 | 73% | 0.729 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -93 | -27.5 | 177.1 | 0 | 0 | 0 | 0 | 0 | 114.9 | F164 | F164-G166 PolarHBondContact O-N 2.94Š|
| 167 | D | 62.9 | Low | 57.2 | Low | 102 Ų | 102 | 132 Ų | 132 | 55% | 0.545 | 73% | 0.728 | S | S | . | * | H | α-helix | trans | -79.1 | -27.7 | -170.6 | -119.7 | -58.9 | 0 | 0 | 0 | 113.6 | L169 R170 Q171 | D167-L169 PolarHBondContact O-N 2.77Å; D167-L169 VanDerWaalsContact O-N 3.15Å; D167-R170 PolarHBondContact O-N 2.78Å; D167-Q171 PolarHBondContact O-N 3.22Å |
| 168 | L | 64.7 | Low | 57 | Low | 141 Ų | 141 | 131.2 Ų | 131.2 | 74% | 0.738 | 72% | 0.723 | S | S | * | * | H | α-helix | trans | -60.1 | -28.4 | 177.9 | -105.3 | 160.2 | 0 | 0 | 0 | 113.2 | L172 | L168-L172 PolarHBondContact O-N 2.81Å |
| 169 | L | 68.3 | Low | 57.1 | Low | 135 Ų | 135 | 129 Ų | 129 | 71% | 0.707 | 72% | 0.718 | S | S | * | * | H | α-helix | trans | -80.8 | -31 | -179.1 | -145.5 | 75.2 | 0 | 0 | 0 | 112.5 | D167 | D167-L169 PolarHBondContact O-N 2.77Å; D167-L169 VanDerWaalsContact O-N 3.15Å |
| 170 | R | 68.5 | Low | 56.7 | Low | 177 Ų | 177 | 125.3 Ų | 125.3 | 67% | 0.668 | 71% | 0.713 | S | S | * | * | H | α-helix | trans | -71.5 | -35.6 | 174 | -73.5 | -174.1 | 66.7 | 88.5 | 2 | 111.3 | D167 L172 V173 | D167-R170 PolarHBondContact O-N 2.78Å; R170-L172 PolarHBondContact O-N 3.04Å; R170-V173 PolarHBondContact O-N 2.94Å |
| 171 | Q | 63.7 | Low | 57 | Low | 128 Ų | 128 | 129 Ų | 129 | 60% | 0.598 | 72% | 0.721 | S | S | * | * | H | α-helix | trans | -70.3 | -21.4 | 179.3 | -157.9 | 160 | -27.5 | 0 | 0 | 113.1 | D167 F175 | D167-Q171 PolarHBondContact O-N 3.22Å; Q171-F175 HydrophobicContact CG-CE2 4.35Å |
| 172 | L | 65.6 | Low | 56.7 | Low | 144 Ų | 144 | 128.8 Ų | 128.8 | 75% | 0.754 | 73% | 0.728 | S | S | * | * | H | α-helix | trans | -81.7 | -18.4 | 177.4 | -146.5 | 77.7 | 0 | 0 | 0 | 114 | L168 R170 | L168-L172 PolarHBondContact O-N 2.81Å; R170-L172 PolarHBondContact O-N 3.04Å |
| 173 | V | 69.6 | Low | 56.2 | Low | 114 Ų | 114 | 125.8 Ų | 125.8 | 69% | 0.691 | 73% | 0.729 | S | S | * | * | H | α-helix | trans | -91.5 | -17.8 | -176.7 | 172.8 | 0 | 0 | 0 | 0 | 112.8 | R170 | R170-V173 PolarHBondContact O-N 2.94Å |
| 174 | Q | 65 | Low | 55.2 | Low | 140 Ų | 140 | 124.2 Ų | 124.2 | 65% | 0.654 | 74% | 0.739 | S | S | * | * | S | Bend | trans | -102 | -5.9 | -173 | -120 | 77.3 | 73 | 0 | 0 | 115.6 | Q176 | Q174-Q176 PolarHBondContact O-N 2.97Š|
| 175 | F | 50.1 | Low | 55.1 | Low | 168 Ų | 168 | 119 Ų | 119 | 74% | 0.737 | 73% | 0.731 | S | S | * | * | | | trans | -96.2 | 84.4 | 179.2 | -88.1 | -92.8 | 0 | 0 | 0 | 112.4 | Q171 | Q171-F175 HydrophobicContact CG-CE2 4.35Š|
| 176 | Q | 48.4 | Very low | 55.4 | Low | 169 Ų | 169 | 123.5 Ų | 123.5 | 79% | 0.79 | 73% | 0.734 | S | S | * | * | | | trans | -97.1 | 161.9 | 131.4 | -63.1 | -76.7 | -30.9 | 0 | 0 | 105.3 | Q174 | Q174-Q176 PolarHBondContact O-N 2.97Š|
| 177 | P | 47.7 | Very low | 55.5 | Low | 109 Ų | 109 | 125.4 Ų | 125.4 | 71% | 0.708 | 74% | 0.744 | S | S | * | * | | | cis | -134.5 | -174.4 | 4.6 | 39.3 | -20 | 0 | 0 | 0 | 112.4 | | |
| 178 | D | 45.8 | Very low | 55.7 | Low | 154 Ų | 154 | 127 Ų | 127 | 82% | 0.824 | 75% | 0.751 | S | S | * | * | | | trans | 67.3 | 143.3 | 147.5 | -147.8 | -106.7 | 0 | 0 | 0 | 120 | | |
| 179 | A | 47.7 | Very low | 56.2 | Low | 80 Ų | 80 | 124.5 Ų | 124.5 | 66% | 0.661 | 74% | 0.739 | S | S | * | * | | | trans | 70.4 | 97.3 | 168.9 | 0 | 0 | 0 | 0 | 0 | 118 | | |
| 180 | A | 44.4 | Very low | 56.9 | Low | 98 Ų | 98 | 123.7 Ų | 123.7 | 81% | 0.81 | 74% | 0.735 | S | S | * | * | | | | 44 | 97.5 | 125.3 | 0 | 0 | 0 | 0 | 0 | 118 | | |
| 181 | V | 48.9 | Very low | 57.7 | Low | 149 Ų | 149 | 118.4 Ų | 118.4 | 90% | 0.903 | 72% | 0.724 | S | S | * | * | | | trans | -170.8 | 127.6 | 136.2 | 139.4 | 0 | 0 | 0 | 0 | 108.6 | | |
| 182 | G | 43.7 | Very low | 58.4 | Low | 82 Ų | 82 | 114.3 Ų | 114.3 | 85% | 0.845 | 71% | 0.713 | S | S | * | * | | | trans | 61.7 | 104.8 | 149.6 | 0 | 0 | 0 | 0 | 0 | 119.1 | | |
| 183 | G | 41 | Very low | 59.2 | Low | 74 Ų | 74 | 113.5 Ų | 113.5 | 76% | 0.763 | 70% | 0.7 | S | S | * | * | | | trans | 160.2 | 89.7 | 158.1 | 0 | 0 | 0 | 0 | 0 | 113.4 | G185 | G183-G185 VanDerWaalsContact C-N 3.35Å; G183-G185 PolarHBondContact O-N 3.09Å |
| 184 | G | 38.8 | Very low | 60 | Low | 99 Ų | 99 | 113.4 Ų | 113.4 | 100% | 1.021 | 69% | 0.692 | S | S | * | * | | | trans | -68 | 89.3 | 173 | 0 | 0 | 0 | 0 | 0 | 111.6 | | |
| 185 | G | 50.9 | Low | 60.6 | Low | 55 Ų | 55 | 113.4 Ų | 113.4 | 57% | 0.567 | 69% | 0.692 | S | S | * | * | | | trans | -138.7 | 122.6 | 165.9 | 0 | 0 | 0 | 0 | 0 | 107.6 | G183 A187 | G183-G185 VanDerWaalsContact C-N 3.35Å; G183-G185 PolarHBondContact O-N 3.09Å; G185-A187 PolarHBondContact O-N 2.94Å |
| 186 | Y | 64.9 | Low | 62 | Low | 221 Ų | 221 | 110.3 Ų | 110.3 | 87% | 0.867 | 68% | 0.681 | S | S | * | * | | | trans | -70.5 | 81.6 | 175.3 | 40.9 | -85.3 | 0 | 0 | 0 | 108.6 | I188 | Y186-I188 PolarHBondContact O-N 3.43Š|
| 187 | A | 64 | Low | 63.5 | Low | 94 Ų | 94 | 105.8 Ų | 105.8 | 78% | 0.777 | 66% | 0.664 | S | S | * | * | | | trans | -74.2 | 112.3 | 159.5 | 0 | 0 | 0 | 0 | 0 | 106.4 | G185 D189 | G185-A187 PolarHBondContact O-N 2.94Å; A187-D189 PolarHBondContact O-N 2.78Å |
| 188 | I | 67 | Low | 64.8 | Low | 136 Ų | 136 | 104 Ų | 104 | 70% | 0.697 | 66% | 0.658 | S | S | * | * | | | trans | -73.6 | 105.5 | 165.4 | -62.4 | 150.9 | 0 | 0 | 0 | 104.5 | Y186 L190 | Y186-I188 PolarHBondContact O-N 3.43Å; I188-L190 PolarHBondContact O-N 3.12Å |
| 189 | D | 77 | Confident | 66 | Low | 88 Ų | 88 | 100.7 Ų | 100.7 | 47% | 0.471 | 65% | 0.653 | S | S | . | * | | | trans | -62.7 | 125.3 | 176 | -177.8 | -91.1 | 0 | 0 | 0 | 109 | A187 S191 A192 W193 | A187-D189 PolarHBondContact O-N 2.78Å; D189-S191 PolarHBondContact O-N 2.64Å; D189-S191 VanDerWaalsContact OD1-CA 3.26Å; D189-S191 WeakPolarHBondContact OD1-CA 3.47Å; D189-S191 WeakPolarHBondContact OD1-CB 3.34Å; D189-S191 PolarHBondContact OD1-N 2.8Å; D189-S191 PolarHBondContact OD1-OG 3.3Å; D189-A192 HydrophobicContact CB-CB 3.85Å; D189-A192 WeakPolarHBondContact O-CA 3.21Å; D189-A192 WeakPolarHBondContact O-CB 3.3Å; D189-A192 PolarHBondContact O-N 2.97Å; D189-A192 PolarHBondContact OD1-N 2.91Å; D189-W193 PolarHBondContact O-N 3.41Å |
| 190 | L | 82.7 | Confident | 67.3 | Low | 119 Ų | 119 | 102.5 Ų | 102.5 | 62% | 0.623 | 66% | 0.656 | S | S | * | * | H | α-helix | trans | -61.7 | -31.4 | -177.6 | -175.7 | 63.7 | 0 | 0 | 0 | 111.1 | I188 W193 H194 | I188-L190 PolarHBondContact O-N 3.12Å; L190-W193 PolarHBondContact O-N 2.93Å; L190-H194 PolarHBondContact O-N 2.93Å |
| 191 | S | 84 | Confident | 68.4 | Low | 65 Ų | 65 | 100.8 Ų | 100.8 | 46% | 0.455 | 64% | 0.641 | S | S | . | * | H | α-helix | trans | -68.2 | -40.6 | 172.8 | -2 | 0 | 0 | 0 | 0 | 111.4 | D189 W193 H194 Q195 | D189-S191 PolarHBondContact O-N 2.64Å; D189-S191 VanDerWaalsContact OD1-CA 3.26Å; D189-S191 WeakPolarHBondContact OD1-CA 3.47Å; D189-S191 WeakPolarHBondContact OD1-CB 3.34Å; D189-S191 PolarHBondContact OD1-N 2.8Å; D189-S191 PolarHBondContact OD1-OG 3.3Å; S191-W193 VanDerWaalsContact C-N 3.29Å; S191-W193 PolarHBondContact O-N 3.08Å; S191-H194 PolarHBondContact O-N 3.48Å; S191-Q195 WeakPolarHBondContact O-CG 3.17Å; S191-Q195 PolarHBondContact O-N 3.08Å |
| 192 | A | 79.3 | Confident | 69.4 | Low | 43 Ų | 43 | 99 Ų | 99 | 36% | 0.355 | 63% | 0.633 | S | S | . | * | H | α-helix | trans | -60.2 | -41 | 171.2 | 0 | 0 | 0 | 0 | 0 | 111 | D189 Q195 M196 | D189-A192 HydrophobicContact CB-CB 3.85Å; D189-A192 WeakPolarHBondContact O-CA 3.21Å; D189-A192 WeakPolarHBondContact O-CB 3.3Å; D189-A192 PolarHBondContact O-N 2.97Å; D189-A192 PolarHBondContact OD1-N 2.91Å; A192-Q195 PolarHBondContact O-N 3.02Å; A192-M196 WeakPolarHBondContact O-CG 3.48Å; A192-M196 PolarHBondContact O-N 2.84Å |
| 193 | W | 82.7 | Confident | 70.9 | Confident | 127 Ų | 127 | 100.6 Ų | 100.6 | 48% | 0.481 | 63% | 0.628 | S | S | . | * | H | α-helix | trans | -64.4 | -45.3 | 175.8 | -163.3 | 85.8 | 0 | 0 | 0 | 112.5 | D189 L190 S191 Q195 M196 V197 | D189-W193 PolarHBondContact O-N 3.41Å; L190-W193 PolarHBondContact O-N 2.93Å; S191-W193 VanDerWaalsContact C-N 3.29Å; S191-W193 PolarHBondContact O-N 3.08Å; W193-Q195 VanDerWaalsContact C-N 3.29Å; W193-Q195 PolarHBondContact O-N 3.13Å; W193-M196 HydrophobicContact CB-CE 4.43Å; W193-M196 HydrophobicContact CG-CE 3.91Å; W193-M196 WeakPolarHBondContact O-CG 3.49Å; W193-M196 PolarHBondContact O-N 2.9Å; W193-V197 HydrophobicContact CD2-CG2 4.25Å; W193-V197 HydrophobicContact CE3-CG2 4Å; W193-V197 HydrophobicContact CH2-CG2 3.89Å; W193-V197 HydrophobicContact CZ2-CG2 4.13Å; W193-V197 HydrophobicContact CZ3-CG2 3.82Å; W193-V197 PolarHBondContact O-N 2.94Å |
| 194 | H | 85.6 | Confident | 72.4 | Confident | 112 Ų | 112 | 102.5 Ų | 102.5 | 52% | 0.519 | 63% | 0.627 | S | S | . | * | H | α-helix | trans | -61.4 | -35 | 174.8 | -79.1 | 158.8 | 0 | 0 | 0 | 112.9 | L190 S191 V197 A198 | L190-H194 PolarHBondContact O-N 2.93Å; S191-H194 PolarHBondContact O-N 3.48Å; H194-V197 PolarHBondContact O-N 2.9Å; H194-A198 WeakPolarHBondContact O-CB 3.44Å; H194-A198 PolarHBondContact O-N 3.39Å |
| 195 | Q | 78.4 | Confident | 73.9 | Confident | 140 Ų | 140 | 103.2 Ų | 103.2 | 65% | 0.654 | 61% | 0.614 | S | S | * | * | H | α-helix | trans | -66.2 | -38.1 | 175.7 | -76.9 | 172.5 | 12.5 | 0 | 0 | 112.6 | S191 A192 W193 V197 A198 A199 | S191-Q195 WeakPolarHBondContact O-CG 3.17Å; S191-Q195 PolarHBondContact O-N 3.08Å; A192-Q195 PolarHBondContact O-N 3.02Å; W193-Q195 VanDerWaalsContact C-N 3.29Å; W193-Q195 PolarHBondContact O-N 3.13Å; Q195-V197 VanDerWaalsContact C-N 3.33Å; Q195-V197 PolarHBondContact O-N 3.02Å; Q195-A198 PolarHBondContact O-N 2.65Å; Q195-A199 WeakPolarHBondContact O-CB 3.04Å; Q195-A199 PolarHBondContact O-N 2.87Å |
| 196 | M | 79 | Confident | 74.7 | Confident | 103 Ų | 103 | 106.4 Ų | 106.4 | 51% | 0.507 | 63% | 0.625 | S | S | . | * | H | α-helix | trans | -66.1 | -38.2 | 176.4 | -16.5 | -176.4 | -61.2 | 0 | 0 | 111.4 | A192 W193 A199 T200 | A192-M196 WeakPolarHBondContact O-CG 3.48Å; A192-M196 PolarHBondContact O-N 2.84Å; W193-M196 HydrophobicContact CB-CE 4.43Å; W193-M196 HydrophobicContact CG-CE 3.91Å; W193-M196 WeakPolarHBondContact O-CG 3.49Å; W193-M196 PolarHBondContact O-N 2.9Å; M196-A199 PolarHBondContact O-N 3Å; M196-T200 PolarHBondContact O-N 3.29Å; M196-T200 PolarHBondContact O-OG1 3.47Å |
| 197 | V | 79.8 | Confident | 74.8 | Confident | 73 Ų | 73 | 102.1 Ų | 102.1 | 44% | 0.442 | 62% | 0.624 | S | S | . | * | H | α-helix | trans | -69 | -42.8 | 178 | 174.8 | 0 | 0 | 0 | 0 | 110.9 | W193 H194 Q195 A199 T200 A201 | W193-V197 HydrophobicContact CD2-CG2 4.25Å; W193-V197 HydrophobicContact CE3-CG2 4Å; W193-V197 HydrophobicContact CH2-CG2 3.89Å; W193-V197 HydrophobicContact CZ2-CG2 4.13Å; W193-V197 HydrophobicContact CZ3-CG2 3.82Å; W193-V197 PolarHBondContact O-N 2.94Å; H194-V197 PolarHBondContact O-N 2.9Å; Q195-V197 VanDerWaalsContact C-N 3.33Å; Q195-V197 PolarHBondContact O-N 3.02Å; V197-A199 VanDerWaalsContact C-N 3.33Å; V197-A199 PolarHBondContact O-N 3.44Å; V197-T200 PolarHBondContact O-N 2.97Å; V197-A201 PolarHBondContact O-N 3.27Å |
| 198 | A | 74.3 | Confident | 74.3 | Confident | 71 Ų | 71 | 101 Ų | 101 | 59% | 0.587 | 62% | 0.622 | S | S | * | * | H | α-helix | trans | -65.5 | -34.5 | 176.1 | 0 | 0 | 0 | 0 | 0 | 112.6 | H194 Q195 T200 A201 | H194-A198 WeakPolarHBondContact O-CB 3.44Å; H194-A198 PolarHBondContact O-N 3.39Å; Q195-A198 PolarHBondContact O-N 2.65Å; A198-T200 VanDerWaalsContact C-N 3.25Å; A198-T200 PolarHBondContact O-N 2.92Å; A198-A201 WeakPolarHBondContact O-CB 3.14Å; A198-A201 PolarHBondContact O-N 2.99Å |
| 199 | A | 72.7 | Confident | 73.5 | Confident | 85 Ų | 85 | 101.3 Ų | 101.3 | 70% | 0.702 | 63% | 0.631 | S | S | * | * | H | α-helix | trans | -72.8 | -16.1 | 176.4 | 0 | 0 | 0 | 0 | 0 | 113.8 | Q195 M196 V197 | Q195-A199 WeakPolarHBondContact O-CB 3.04Å; Q195-A199 PolarHBondContact O-N 2.87Å; M196-A199 PolarHBondContact O-N 3Å; V197-A199 VanDerWaalsContact C-N 3.33Å; V197-A199 PolarHBondContact O-N 3.44Å |
| 200 | T | 75.1 | Confident | 72.2 | Confident | 119 Ų | 119 | 101 Ų | 101 | 73% | 0.73 | 65% | 0.648 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -93.8 | -7.2 | 176 | -49.2 | 0 | 0 | 0 | 0 | 112 | M196 V197 A198 | M196-T200 PolarHBondContact O-N 3.29Å; M196-T200 PolarHBondContact O-OG1 3.47Å; V197-T200 PolarHBondContact O-N 2.97Å; A198-T200 VanDerWaalsContact C-N 3.25Å; A198-T200 PolarHBondContact O-N 2.92Å |
| 201 | A | 65.6 | Low | 70.3 | Confident | 61 Ų | 61 | 97.9 Ų | 97.9 | 50% | 0.504 | 65% | 0.645 | S | S | . | * | S | Bend | trans | -71.2 | 131.8 | 176.7 | 0 | 0 | 0 | 0 | 0 | 110.5 | V197 A198 | V197-A201 PolarHBondContact O-N 3.27Å; A198-A201 WeakPolarHBondContact O-CB 3.14Å; A198-A201 PolarHBondContact O-N 2.99Å |
| 202 | P | 71.7 | Confident | 68.3 | Low | 112 Ų | 112 | 102.1 Ų | 102.1 | 73% | 0.727 | 66% | 0.662 | S | S | * | * | P | Polyproline II helix | trans | -61.8 | 145.9 | 173.6 | 26.3 | -32.9 | 0 | 0 | 0 | 110.2 | | |
| 203 | P | 73.7 | Confident | 66.9 | Low | 115 Ų | 115 | 107.1 Ų | 107.1 | 75% | 0.747 | 69% | 0.688 | S | S | * | * | P | Polyproline II helix | trans | -63.6 | 143.6 | 178.9 | 27.2 | -34.1 | 0 | 0 | 0 | 110.7 | | |
| 204 | P | 73.2 | Confident | 65.1 | Low | 114 Ų | 114 | 106.9 Ų | 106.9 | 74% | 0.74 | 71% | 0.706 | S | S | * | * | P | Polyproline II helix | trans | -64 | 147.6 | 171.1 | 27.9 | -33.6 | 0 | 0 | 0 | 110.4 | | |
| 205 | P | 71.4 | Confident | 63.2 | Low | 114 Ų | 114 | 106.4 Ų | 106.4 | 74% | 0.74 | 72% | 0.715 | S | S | * | * | P | Polyproline II helix | trans | -62.7 | 148.5 | 173.7 | 27.2 | -33.7 | 0 | 0 | 0 | 110.7 | | |
| 206 | P | 66.2 | Low | 61.6 | Low | 123 Ų | 123 | 107.8 Ų | 107.8 | 80% | 0.799 | 73% | 0.726 | S | S | * | * | P | Polyproline II helix | trans | -64.2 | 135 | -180 | 26 | -33.3 | 0 | 0 | 0 | 111.1 | | |
| 207 | P | 67.7 | Low | 59.8 | Low | 130 Ų | 130 | 106 Ų | 106 | 84% | 0.844 | 74% | 0.735 | S | S | * | * | P | Polyproline II helix | trans | -76.6 | 129.6 | 173.8 | 28.7 | -30.5 | 0 | 0 | 0 | 110.7 | | |
| 208 | G | 52.6 | Low | 58.1 | Low | 72 Ų | 72 | 111.1 Ų | 111.1 | 74% | 0.742 | 76% | 0.758 | S | S | * | * | | | trans | 95.2 | 99.4 | 149.6 | 0 | 0 | 0 | 0 | 0 | 117.3 | | |
| 209 | T | 51.8 | Low | 56.2 | Low | 142 Ų | 142 | 111.5 Ų | 111.5 | 87% | 0.871 | 77% | 0.769 | S | S | * | * | | | | -142.3 | 106.1 | 128.5 | 37.9 | 0 | 0 | 0 | 0 | 103.3 | | |
| 210 | G | 47.7 | Very low | 54.8 | Low | 81 Ų | 81 | 112.6 Ų | 112.6 | 84% | 0.835 | 78% | 0.778 | S | S | * | * | | | | 50.7 | 97.7 | 70.1 | 0 | 0 | 0 | 0 | 0 | 107.6 | | |
| 211 | G | 44.8 | Very low | 53.3 | Low | 54 Ų | 54 | 112.3 Ų | 112.3 | 56% | 0.557 | 79% | 0.788 | S | S | * | * | | | cis | 153.3 | 148.2 | 42.2 | 0 | 0 | 0 | 0 | 0 | 105.1 | | |
| 212 | D | 41.5 | Very low | 52 | Low | 153 Ų | 153 | 113 Ų | 113 | 82% | 0.818 | 80% | 0.801 | S | S | * | * | | | trans | 43.2 | 116.2 | 151 | 11.8 | -65 | 0 | 0 | 0 | 119.8 | | |
| 213 | V | 50.1 | Low | 50.7 | Low | 148 Ų | 148 | 113 Ų | 113 | 90% | 0.897 | 81% | 0.811 | S | S | * | * | | | | -178.1 | 137.1 | 107.2 | -84.1 | 0 | 0 | 0 | 0 | 111.3 | | |
| 214 | S | 44.3 | Very low | 48.9 | Very low | 122 Ų | 122 | 111.2 Ų | 111.2 | 85% | 0.853 | 81% | 0.812 | S | S | * | * | | | trans | -49.4 | 135.4 | 173.6 | -45.1 | 0 | 0 | 0 | 0 | 114.4 | | |
| 215 | S | 44.6 | Very low | 47.2 | Very low | 102 Ų | 102 | 111.1 Ų | 111.1 | 71% | 0.713 | 82% | 0.821 | S | S | * | * | | | trans | -165.7 | 112.3 | 143.5 | -145.4 | 0 | 0 | 0 | 0 | 112.7 | | |
| 216 | L | 46.5 | Very low | 45.6 | Very low | 169 Ų | 169 | 109.1 Ų | 109.1 | 89% | 0.885 | 82% | 0.821 | S | S | * | * | | | trans | 54.1 | 117.4 | 135.4 | -52.9 | 173.1 | 0 | 0 | 0 | 119.7 | | |
| 217 | G | 41.5 | Very low | 44.5 | Very low | 67 Ų | 67 | 107.5 Ų | 107.5 | 69% | 0.691 | 82% | 0.819 | S | S | * | * | | | trans | 153.9 | 94.7 | 148.6 | 0 | 0 | 0 | 0 | 0 | 116 | | |
| 218 | L | 43.5 | Very low | 43.5 | Very low | 180 Ų | 180 | 110.6 Ų | 110.6 | 94% | 0.942 | 82% | 0.822 | S | S | * | * | | | trans | 7 | 121 | 147.6 | -60.6 | 80.6 | 0 | 0 | 0 | 115.6 | | |
| 219 | G | 34.6 | Very low | 43.3 | Very low | 79 Ų | 79 | 111.1 Ų | 111.1 | 81% | 0.814 | 82% | 0.819 | S | S | * | * | | | cis | 107.5 | 96.2 | 42 | 0 | 0 | 0 | 0 | 0 | 109.5 | | |
| 220 | A | 42.9 | Very low | 43.6 | Very low | 108 Ų | 108 | 110.9 Ų | 110.9 | 89% | 0.893 | 81% | 0.813 | S | S | * | * | | | trans | -173.1 | 141.1 | 152 | 0 | 0 | 0 | 0 | 0 | 111 | | |
| 221 | A | 43.3 | Very low | 43.6 | Very low | 112 Ų | 112 | 111.5 Ų | 111.5 | 93% | 0.926 | 80% | 0.803 | S | S | * | * | | | trans | -68.2 | 147.9 | -164.9 | 0 | 0 | 0 | 0 | 0 | 115.9 | | |
| 222 | G | 39 | Very low | 44.2 | Very low | 76 Ų | 76 | 113.8 Ų | 113.8 | 78% | 0.784 | 81% | 0.806 | S | S | * | * | | | trans | 179.1 | 93.4 | 167.2 | 0 | 0 | 0 | 0 | 0 | 110.6 | | |
| 223 | A | 43.6 | Very low | 45 | Very low | 113 Ų | 113 | 110.1 Ų | 110.1 | 93% | 0.934 | 80% | 0.797 | S | S | * | * | | | trans | -65 | 138.9 | 179.2 | 0 | 0 | 0 | 0 | 0 | 112 | | |
| 224 | G | 35.8 | Very low | 45.2 | Very low | 76 Ų | 76 | 110.5 Ų | 110.5 | 78% | 0.784 | 79% | 0.793 | S | S | * | * | | | trans | 152.9 | 77.9 | 168.9 | 0 | 0 | 0 | 0 | 0 | 113.5 | | |
| 225 | A | 37.1 | Very low | 45.9 | Very low | 112 Ų | 112 | 113.1 Ų | 113.1 | 93% | 0.926 | 79% | 0.792 | S | S | * | * | | | trans | -66.4 | 128.1 | 162.6 | 0 | 0 | 0 | 0 | 0 | 109.3 | | |
| 226 | G | 38.5 | Very low | 46.8 | Very low | 72 Ų | 72 | 115.7 Ų | 115.7 | 74% | 0.742 | 79% | 0.787 | S | S | * | * | | | trans | 179.5 | 98.2 | 176.8 | 0 | 0 | 0 | 0 | 0 | 111.3 | | |
| 227 | A | 42.9 | Very low | 47.5 | Very low | 90 Ų | 90 | 116 Ų | 116 | 74% | 0.744 | 78% | 0.776 | S | S | * | * | | | trans | 26.3 | 122 | 153.8 | 0 | 0 | 0 | 0 | 0 | 118.2 | A229 | A227-A229 VanDerWaalsContact C-N 3.3Å; A227-A229 PolarHBondContact O-N 3.25Å |
| 228 | E | 46.7 | Very low | 48.6 | Very low | 195 Ų | 195 | 115.3 Ų | 115.3 | 91% | 0.911 | 76% | 0.761 | S | S | * | * | | | trans | -44.7 | 93.8 | 151.5 | 59.4 | -149.7 | 88.4 | 0 | 0 | 110.8 | N230 | E228-N230 PolarHBondContact O-N 3.47Å; E228-N230 VanDerWaalsContact O-N 3.07Å |
| 229 | A | 48.5 | Very low | 49.8 | Very low | 82 Ų | 82 | 116 Ų | 116 | 68% | 0.678 | 76% | 0.759 | S | S | * | * | | | trans | -75 | 102.9 | 174.1 | 0 | 0 | 0 | 0 | 0 | 106.9 | A227 C231 | A227-A229 VanDerWaalsContact C-N 3.3Å; A227-A229 PolarHBondContact O-N 3.25Å; A229-C231 VanDerWaalsContact C-N 3.32Å; A229-C231 PolarHBondContact O-N 3.03Å |
| 230 | N | 57.7 | Low | 51.7 | Low | 138 Ų | 138 | 119.2 Ų | 119.2 | 74% | 0.738 | 76% | 0.758 | S | S | * | * | | | trans | -48.5 | 100.2 | 158.5 | -177.5 | -25.9 | 0 | 0 | 0 | 107.9 | E228 V232 | E228-N230 PolarHBondContact O-N 3.47Å; E228-N230 VanDerWaalsContact O-N 3.07Å; N230-V232 PolarHBondContact O-N 3.02Å; N230-V232 WeakPolarHBondContact OD1-CG2 2.99Å; N230-V232 PolarHBondContact OD1-N 2.84Å |
| 231 | C | 47.5 | Very low | 52.8 | Low | 94 Ų | 94 | 116.3 Ų | 116.3 | 64% | 0.635 | 74% | 0.739 | S | S | * | * | | | trans | -68.7 | 78.6 | 171.4 | -65.6 | 0 | 0 | 0 | 0 | 108.1 | A229 A233 | A229-C231 VanDerWaalsContact C-N 3.32Å; A229-C231 PolarHBondContact O-N 3.03Å; C231-A233 VanDerWaalsContact C-N 3.26Å; C231-A233 PolarHBondContact O-N 3.13Å |
| 232 | V | 59.1 | Low | 53.8 | Low | 102 Ų | 102 | 118 Ų | 118 | 62% | 0.618 | 73% | 0.729 | S | S | * | * | | | trans | -67.7 | 95.7 | 161.2 | -178.8 | 0 | 0 | 0 | 0 | 105.4 | N230 L234 | N230-V232 PolarHBondContact O-N 3.02Å; N230-V232 WeakPolarHBondContact OD1-CG2 2.99Å; N230-V232 PolarHBondContact OD1-N 2.84Å; V232-L234 PolarHBondContact O-N 3.21Å |
| 233 | A | 56.5 | Low | 54.9 | Low | 76 Ų | 76 | 119 Ų | 119 | 63% | 0.628 | 72% | 0.722 | S | S | * | * | | | trans | -60.7 | 93.5 | 166 | 0 | 0 | 0 | 0 | 0 | 107.5 | C231 Q235 | C231-A233 VanDerWaalsContact C-N 3.26Å; C231-A233 PolarHBondContact O-N 3.13Å; A233-Q235 PolarHBondContact O-N 2.8Å |
| 234 | L | 55.9 | Low | 55.4 | Low | 156 Ų | 156 | 115.7 Ų | 115.7 | 82% | 0.817 | 70% | 0.698 | S | S | * | * | | | trans | -64.8 | 106.7 | 167.9 | -94.1 | 166.1 | 0 | 0 | 0 | 106.8 | V232 Y236 | V232-L234 PolarHBondContact O-N 3.21Å; L234-Y236 VanDerWaalsContact C-N 3.3Å; L234-Y236 PolarHBondContact O-N 3.38Å |
| 235 | Q | 57.3 | Low | 56.4 | Low | 177 Ų | 177 | 119.9 Ų | 119.9 | 83% | 0.827 | 70% | 0.702 | S | S | * | * | | | trans | -64.5 | 95.2 | 166.7 | -77.5 | 174.2 | -22.3 | 0 | 0 | 108.1 | A233 | A233-Q235 PolarHBondContact O-N 2.8Š|
| 236 | Y | 64 | Low | 57.3 | Low | 155 Ų | 155 | 122.5 Ų | 122.5 | 61% | 0.608 | 70% | 0.7 | S | S | * | * | | | trans | -88 | 139.8 | 166.6 | 177.3 | -106.1 | 0 | 0 | 0 | 109.6 | L234 | L234-Y236 VanDerWaalsContact C-N 3.3Å; L234-Y236 PolarHBondContact O-N 3.38Å |
| 237 | W | 61.5 | Low | 58 | Low | 176 Ų | 176 | 122.2 Ų | 122.2 | 67% | 0.667 | 70% | 0.697 | S | S | * | * | B | Isolated β-bridge | trans | -98.3 | 107.5 | 171.5 | -72.8 | 78.2 | 0 | 0 | 0 | 107.9 | | |
| 238 | S | 65.8 | Low | 58.6 | Low | 52 Ų | 52 | 122.8 Ų | 122.8 | 36% | 0.364 | 70% | 0.702 | S | S | . | * | | | trans | -64.2 | 154.5 | 168 | -71.3 | 0 | 0 | 0 | 0 | 110.9 | D240 G241 | S238-D240 PolarHBondContact O-N 2.86Å; S238-G241 PolarHBondContact O-N 2.88Å |
| 239 | E | 67.3 | Low | 58.4 | Low | 195 Ų | 195 | 121.9 Ų | 121.9 | 91% | 0.911 | 72% | 0.716 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -57.2 | -18 | -179.4 | -61.8 | -171 | 91.1 | 0 | 0 | 113.1 | | |
| 240 | D | 74.7 | Confident | 58.9 | Low | 147 Ų | 147 | 123.9 Ų | 123.9 | 79% | 0.786 | 72% | 0.718 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -84.3 | 0.4 | 175.8 | -56.9 | -62.5 | 0 | 0 | 0 | 115 | S238 M242 | S238-D240 PolarHBondContact O-N 2.86Å; D240-M242 VanDerWaalsContact C-N 3.31Å; D240-M242 PolarHBondContact O-N 3.49Å |
| 241 | G | 65.5 | Low | 59 | Low | 47 Ų | 47 | 123.2 Ų | 123.2 | 49% | 0.485 | 72% | 0.717 | S | S | . | * | S | Bend | trans | 69.8 | 17.8 | 170.1 | 0 | 0 | 0 | 0 | 0 | 116.2 | S238 | S238-G241 PolarHBondContact O-N 2.88Š|
| 242 | M | 64.9 | Low | 59.6 | Low | 148 Ų | 148 | 124.8 Ų | 124.8 | 73% | 0.729 | 72% | 0.721 | S | S | * | * | | | trans | -107.9 | 135.3 | 171.4 | -80.2 | -86.6 | -169.5 | 0 | 0 | 110 | D240 G244 | D240-M242 VanDerWaalsContact C-N 3.31Å; D240-M242 PolarHBondContact O-N 3.49Å; M242-G244 PolarHBondContact O-N 2.93Å; M242-G244 VanDerWaalsContact O-N 3.08Å |
| 243 | P | 62.4 | Low | 59.6 | Low | 96 Ų | 96 | 126.1 Ų | 126.1 | 62% | 0.623 | 73% | 0.727 | S | S | * | * | B | Isolated β-bridge | trans | -68.6 | 107 | 172 | 28.5 | -32.1 | 0 | 0 | 0 | 109.1 | | |
| 244 | G | 53.6 | Low | 59.8 | Low | 43 Ų | 43 | 129.3 Ų | 129.3 | 44% | 0.443 | 73% | 0.733 | S | S | . | * | | | trans | -82.4 | 127.2 | 169.1 | 0 | 0 | 0 | 0 | 0 | 110 | M242 | M242-G244 PolarHBondContact O-N 2.93Å; M242-G244 VanDerWaalsContact O-N 3.08Å |
| 245 | L | 56.4 | Low | 60.1 | Low | 164 Ų | 164 | 127.5 Ų | 127.5 | 86% | 0.859 | 73% | 0.728 | S | S | * | * | | | trans | -100.8 | 72 | 168.1 | -86.8 | 149.9 | 0 | 0 | 0 | 107.8 | G247 | L245-G247 VanDerWaalsContact C-N 3.34Å; L245-G247 PolarHBondContact O-N 3.33Å |
| 246 | D | 56.3 | Low | 60.3 | Low | 167 Ų | 167 | 123.9 Ų | 123.9 | 89% | 0.893 | 72% | 0.721 | S | S | * | * | | | trans | -95.5 | 73.8 | 168.5 | -74.8 | -71.7 | 0 | 0 | 0 | 108.4 | | |
| 247 | G | 52.6 | Low | 60 | Low | 66 Ų | 66 | 121.5 Ų | 121.5 | 68% | 0.68 | 73% | 0.729 | S | S | * | * | | | trans | -108.7 | 84.7 | 166.8 | 0 | 0 | 0 | 0 | 0 | 108.4 | L245 C249 | L245-G247 VanDerWaalsContact C-N 3.34Å; L245-G247 PolarHBondContact O-N 3.33Å; G247-C249 PolarHBondContact O-N 3.47Å |
| 248 | A | 56.2 | Low | 59.9 | Low | 103 Ų | 103 | 117 Ų | 117 | 85% | 0.851 | 73% | 0.734 | S | S | * | * | | | trans | -75.8 | 114.7 | 157.7 | 0 | 0 | 0 | 0 | 0 | 106.8 | | |
| 249 | C | 43 | Very low | 59.4 | Low | 176 Ų | 176 | 122.9 Ų | 122.9 | 100% | 1.189 | 77% | 0.768 | S | S | * | * | | | trans | -71.5 | 0 | 159.1 | -48.6 | 0 | 0 | 0 | 0 | 109.2 | G247 | G247-C249 PolarHBondContact O-N 3.47Š|