| 1 | M | 44.9 | Very low | 51.6 | Low | 240 Ų | 240 | 156.5 Ų | 156.5 | 100% | 1.182 | 83% | 0.825 | S | S | * | * | | | | 0 | 84.8 | 0 | -71.2 | 167.9 | 172.7 | 0 | 0 | 105.1 | | |
| 2 | A | 45.6 | Very low | 51.1 | Low | 80 Ų | 80 | 152.8 Ų | 152.8 | 66% | 0.661 | 82% | 0.822 | S | S | * | * | | | | 81 | 93.2 | 85 | 0 | 0 | 0 | 0 | 0 | 111.1 | | |
| 3 | E | 46.7 | Very low | 50.9 | Low | 164 Ų | 164 | 145.9 Ų | 145.9 | 77% | 0.766 | 81% | 0.809 | S | S | * | * | | | trans | -158.1 | 105.8 | 147.4 | 50.1 | -164.8 | 111.5 | 0 | 0 | 109.6 | | |
| 4 | H | 58.3 | Low | 50.5 | Low | 165 Ų | 165 | 146.5 Ų | 146.5 | 76% | 0.764 | 82% | 0.818 | S | S | * | * | | | trans | -104.7 | 98.7 | 174.7 | -36.8 | -106.3 | 0 | 0 | 0 | 103.9 | M6 | H4-M6 PolarHBondContact O-N 3.08Š|
| 5 | M | 57.5 | Low | 50 | Low | 162 Ų | 162 | 141.7 Ų | 141.7 | 80% | 0.798 | 82% | 0.815 | S | S | * | * | | | trans | -94.3 | 98.5 | 172.6 | -76.7 | -170.1 | -81.8 | 0 | 0 | 108.7 | M7 | M5-M7 PolarHBondContact O-N 3.16Š|
| 6 | M | 57.4 | Low | 50.4 | Low | 184 Ų | 184 | 142.7 Ų | 142.7 | 91% | 0.906 | 82% | 0.815 | S | S | * | * | P | Polyproline II helix | trans | -58.6 | 116.7 | 170.7 | -62.7 | 171.6 | 179.2 | 0 | 0 | 109.6 | H4 | H4-M6 PolarHBondContact O-N 3.08Š|
| 7 | M | 55.9 | Low | 50.6 | Low | 189 Ų | 189 | 142.1 Ų | 142.1 | 93% | 0.931 | 80% | 0.804 | S | S | * | * | P | Polyproline II helix | trans | -92.6 | 119.7 | 162.8 | -92.9 | 147.3 | 156.5 | 0 | 0 | 108.9 | M5 M9 | M5-M7 PolarHBondContact O-N 3.16Å; M7-M9 PolarHBondContact O-N 3.36Å |
| 8 | S | 50.8 | Low | 50.6 | Low | 114 Ų | 114 | 140 Ų | 140 | 80% | 0.797 | 80% | 0.8 | S | S | * | * | P | Polyproline II helix | trans | -61.4 | 124.9 | -169.2 | -151.4 | 0 | 0 | 0 | 0 | 112.4 | S10 | S8-S10 PolarHBondContact O-N 3.19Å; S8-S10 VanDerWaalsContact O-N 3.1Å |
| 9 | M | 51.2 | Low | 50.4 | Low | 154 Ų | 154 | 144.1 Ų | 144.1 | 76% | 0.759 | 80% | 0.803 | S | S | * | * | | | trans | -64.8 | 100.3 | 160.3 | -91.5 | 154 | 81.8 | 0 | 0 | 109 | M7 H11 | M7-M9 PolarHBondContact O-N 3.36Å; M9-H11 VanDerWaalsContact CE-NE2 3.3Å; M9-H11 WeakPolarHBondContact CE-NE2 3.5Å; M9-H11 PolarHBondContact O-N 3.11Å |
| 10 | S | 49.6 | Very low | 50.7 | Low | 111 Ų | 111 | 146.7 Ų | 146.7 | 78% | 0.776 | 80% | 0.799 | S | S | * | * | | | trans | -83.2 | 85.2 | 165.4 | 50.6 | 0 | 0 | 0 | 0 | 109.5 | S8 | S8-S10 PolarHBondContact O-N 3.19Å; S8-S10 VanDerWaalsContact O-N 3.1Å |
| 11 | H | 49.4 | Very low | 50.6 | Low | 158 Ų | 158 | 148.3 Ų | 148.3 | 73% | 0.731 | 80% | 0.804 | S | S | * | * | | | trans | -84.5 | 105 | 156.8 | -70 | -85.3 | 0 | 0 | 0 | 108.6 | M9 | M9-H11 VanDerWaalsContact CE-NE2 3.3Å; M9-H11 WeakPolarHBondContact CE-NE2 3.5Å; M9-H11 PolarHBondContact O-N 3.11Å |
| 12 | S | 45.6 | Very low | 51.1 | Low | 113 Ų | 113 | 140.3 Ų | 140.3 | 79% | 0.79 | 78% | 0.783 | S | S | * | * | | | trans | -124.8 | 109.5 | 159.2 | 60.2 | 0 | 0 | 0 | 0 | 108.3 | | |
| 13 | G | 49.1 | Very low | 51.4 | Low | 63 Ų | 63 | 143.1 Ų | 143.1 | 65% | 0.649 | 79% | 0.792 | S | S | * | * | | | trans | -71.2 | -179.3 | 172.5 | 0 | 0 | 0 | 0 | 0 | 113.1 | | |
| 14 | T | 45 | Very low | 51 | Low | 154 Ų | 154 | 141.5 Ų | 141.5 | 95% | 0.945 | 80% | 0.799 | S | S | * | * | | | trans | 78.9 | 110 | 170.9 | 64.4 | 0 | 0 | 0 | 0 | 116.9 | | |
| 15 | G | 43.2 | Very low | 50.3 | Low | 74 Ų | 74 | 138.2 Ų | 138.2 | 76% | 0.763 | 80% | 0.8 | S | S | * | * | | | trans | 153.7 | 55.7 | 162.1 | 0 | 0 | 0 | 0 | 0 | 117.7 | Q17 | G15-Q17 PolarHBondContact O-N 3.45Š|
| 16 | L | 55.7 | Low | 49.9 | Very low | 158 Ų | 158 | 138.7 Ų | 138.7 | 83% | 0.827 | 81% | 0.805 | S | S | * | * | | | trans | -61 | 95.4 | 155.2 | -74.2 | 169.8 | 0 | 0 | 0 | 108.9 | | |
| 17 | Q | 54.7 | Low | 49.1 | Very low | 132 Ų | 132 | 139.7 Ų | 139.7 | 62% | 0.617 | 81% | 0.807 | S | S | * | * | | | trans | -160.9 | 2.7 | 171.2 | -99.6 | -45 | 0.8 | 0 | 0 | 120.4 | G15 | G15-Q17 PolarHBondContact O-N 3.45Š|
| 18 | S | 50.1 | Low | 48.3 | Very low | 105 Ų | 105 | 134 Ų | 134 | 73% | 0.734 | 80% | 0.798 | S | S | * | * | | | trans | -125.3 | 13.3 | -160.8 | -58.3 | 0 | 0 | 0 | 0 | 120.5 | | |
| 19 | Y | 47.9 | Very low | 48.3 | Very low | 217 Ų | 217 | 134.3 Ų | 134.3 | 85% | 0.851 | 80% | 0.797 | S | S | * | * | S | Bend | trans | -107.1 | 27.7 | 168.2 | 29.8 | -97.6 | 0 | 0 | 0 | 114.7 | | |
| 20 | R | 55.4 | Low | 48.4 | Very low | 196 Ų | 196 | 132.4 Ų | 132.4 | 74% | 0.74 | 80% | 0.796 | S | S | * | * | | | trans | -107.9 | 68.2 | 168.8 | 73 | -146.4 | -70.8 | -84.3 | 7.5 | 111.8 | | |
| 21 | M | 49.9 | Very low | 48.3 | Very low | 181 Ų | 181 | 135.9 Ų | 135.9 | 89% | 0.892 | 80% | 0.8 | S | S | * | * | | | trans | -116.1 | 112.9 | 156.5 | -89.3 | -174.4 | -88.4 | 0 | 0 | 105.6 | | |
| 22 | G | 53.4 | Low | 48 | Very low | 73 Ų | 73 | 137 Ų | 137 | 75% | 0.753 | 81% | 0.805 | S | S | * | * | | | cis | 103 | 40.9 | 25.4 | 0 | 0 | 0 | 0 | 0 | 112 | | |
| 23 | V | 52.9 | Low | 47.5 | Very low | 138 Ų | 138 | 135.4 Ų | 135.4 | 84% | 0.836 | 81% | 0.807 | S | S | * | * | | | trans | -148.7 | 93.9 | 165.3 | -72.7 | 0 | 0 | 0 | 0 | 111.7 | | |
| 24 | S | 37.8 | Very low | 47.2 | Very low | 131 Ų | 131 | 140.3 Ų | 140.3 | 92% | 0.916 | 81% | 0.813 | S | S | * | * | | | trans | -168.6 | 88.4 | 148.6 | -83.6 | 0 | 0 | 0 | 0 | 108 | | |
| 25 | A | 44.7 | Very low | 47.1 | Very low | 96 Ų | 96 | 141.1 Ų | 141.1 | 79% | 0.793 | 81% | 0.806 | S | S | * | * | | | trans | -86.8 | 104 | 174.4 | 0 | 0 | 0 | 0 | 0 | 109.5 | | |
| 26 | L | 48.4 | Very low | 47.1 | Very low | 172 Ų | 172 | 143.9 Ų | 143.9 | 90% | 0.901 | 81% | 0.807 | S | S | * | * | | | trans | -152.7 | 75.1 | 156.6 | -69.1 | 178.7 | 0 | 0 | 0 | 106.4 | | |
| 27 | Q | 41.3 | Very low | 46.9 | Very low | 204 Ų | 204 | 144.7 Ų | 144.7 | 95% | 0.953 | 81% | 0.812 | S | S | * | * | | | | 64.5 | 99.7 | 91.3 | -156.8 | 135.9 | 84.7 | 0 | 0 | 114.6 | | |
| 28 | G | 39.2 | Very low | 46.2 | Very low | 71 Ų | 71 | 149.2 Ų | 149.2 | 73% | 0.732 | 82% | 0.823 | S | S | * | * | | | trans | 178.3 | 136.3 | 165.8 | 0 | 0 | 0 | 0 | 0 | 112.4 | | |
| 29 | P | 49.9 | Very low | 45.7 | Very low | 119 Ų | 119 | 149.7 Ų | 149.7 | 77% | 0.773 | 82% | 0.821 | S | S | * | * | | | trans | -94.5 | 165.3 | -143 | 36.2 | -36.2 | 0 | 0 | 0 | 117.4 | | |
| 30 | P | 54.2 | Low | 45.9 | Very low | 115 Ų | 115 | 146.1 Ų | 146.1 | 75% | 0.747 | 82% | 0.816 | S | S | * | * | | | trans | -88.2 | 143.4 | 171.5 | 35.6 | -29.8 | 0 | 0 | 0 | 111.2 | | |
| 31 | Q | 45.8 | Very low | 45.3 | Very low | 183 Ų | 183 | 143.2 Ų | 143.2 | 86% | 0.855 | 82% | 0.823 | S | S | * | * | | | trans | -117.4 | 114.5 | 169.7 | -77.2 | -73.4 | 10 | 0 | 0 | 110.4 | | |
| 32 | H | 44.3 | Very low | 44.9 | Very low | 181 Ų | 181 | 140.1 Ų | 140.1 | 84% | 0.838 | 81% | 0.814 | S | S | * | * | | | trans | -74.2 | 149.4 | 167.2 | -99.1 | -94.1 | 0 | 0 | 0 | 110.8 | | |
| 33 | G | 34.4 | Very low | 44.3 | Very low | 80 Ų | 80 | 140.7 Ų | 140.7 | 83% | 0.825 | 81% | 0.812 | S | S | * | * | | | trans | -177.1 | 93.9 | 165.8 | 0 | 0 | 0 | 0 | 0 | 113.9 | | |
| 34 | Q | 43.6 | Very low | 43.9 | Very low | 166 Ų | 166 | 139.6 Ų | 139.6 | 78% | 0.776 | 81% | 0.81 | S | S | * | * | | | trans | -82.3 | 166.5 | 173.3 | -79.1 | -77 | -14.5 | 0 | 0 | 112.2 | | |
| 35 | H | 41.8 | Very low | 44.4 | Very low | 172 Ų | 172 | 141 Ų | 141 | 80% | 0.796 | 80% | 0.802 | S | S | * | * | | | trans | 95.6 | 110.5 | 164.7 | -58.4 | -93.7 | 0 | 0 | 0 | 118 | | |
| 36 | V | 44.1 | Very low | 44.5 | Very low | 131 Ų | 131 | 144.3 Ų | 144.3 | 79% | 0.794 | 80% | 0.803 | S | S | * | * | | | | -179.5 | 118.9 | 97.8 | 160.1 | 0 | 0 | 0 | 0 | 110 | | |
| 37 | L | 51.8 | Low | 44.5 | Very low | 176 Ų | 176 | 144.1 Ų | 144.1 | 92% | 0.921 | 80% | 0.8 | S | S | * | * | | | trans | -57.9 | 132 | 162.1 | -92.2 | 70.3 | 0 | 0 | 0 | 110.6 | | |
| 38 | R | 38.4 | Very low | 44.9 | Very low | 227 Ų | 227 | 139 Ų | 139 | 86% | 0.857 | 78% | 0.784 | S | S | * | * | | | trans | -138.9 | 88.6 | 156.1 | -165.6 | 131.2 | -174.6 | 156.9 | -0.5 | 112.8 | | |
| 39 | T | 39.9 | Very low | 45 | Very low | 114 Ų | 114 | 146.7 Ų | 146.7 | 70% | 0.699 | 79% | 0.793 | S | S | * | * | | | trans | 58.4 | 111.4 | 139.3 | 58.2 | 0 | 0 | 0 | 0 | 120.4 | | |
| 40 | L | 52 | Low | 44.3 | Very low | 143 Ų | 143 | 144.6 Ų | 144.6 | 75% | 0.749 | 79% | 0.793 | S | S | * | * | | | trans | -55.1 | 158.4 | 150.3 | -68.3 | 82 | 0 | 0 | 0 | 111.4 | | |
| 41 | P | 43.8 | Very low | 43.9 | Very low | 134 Ų | 134 | 142.4 Ų | 142.4 | 87% | 0.87 | 79% | 0.791 | S | S | * | * | | | trans | -98.5 | 111 | 135.3 | 28.4 | -18.2 | 0 | 0 | 0 | 109.8 | | |
| 42 | T | 41.6 | Very low | 43.8 | Very low | 117 Ų | 117 | 139.1 Ų | 139.1 | 72% | 0.718 | 80% | 0.796 | S | S | * | * | | | trans | -87 | 148.3 | 161.5 | -56.8 | 0 | 0 | 0 | 0 | 108.8 | | |
| 43 | A | 41.5 | Very low | 43.8 | Very low | 84 Ų | 84 | 134.1 Ų | 134.1 | 69% | 0.694 | 79% | 0.793 | S | S | * | * | | | trans | 98.4 | 87.1 | 160.5 | 0 | 0 | 0 | 0 | 0 | 117.1 | | |
| 44 | S | 44.1 | Very low | 44.8 | Very low | 115 Ų | 115 | 139.6 Ų | 139.6 | 80% | 0.804 | 80% | 0.799 | S | S | * | * | S | Bend | | -138.8 | 106.3 | 116.6 | -78.7 | 0 | 0 | 0 | 0 | 109.6 | | |
| 45 | Q | 46.8 | Very low | 44.7 | Very low | 160 Ų | 160 | 139.1 Ų | 139.1 | 75% | 0.748 | 80% | 0.802 | S | S | * | * | | | trans | 67.7 | 99.1 | 148.4 | -44.3 | -60.9 | 75.4 | 0 | 0 | 117.1 | | |
| 46 | M | 46.7 | Very low | 45 | Very low | 167 Ų | 167 | 134 Ų | 134 | 82% | 0.823 | 80% | 0.796 | S | S | * | * | | | | 42.7 | 108.5 | 76.4 | -80.5 | 173.7 | 138.9 | 0 | 0 | 110.8 | | |
| 47 | M | 48.7 | Very low | 44.9 | Very low | 167 Ų | 167 | 132.8 Ų | 132.8 | 82% | 0.823 | 80% | 0.8 | S | S | * | * | | | | -174 | 171.5 | 61.3 | -93.1 | -59.3 | -87.4 | 0 | 0 | 111.2 | | |
| 48 | P | 51.1 | Low | 44.5 | Very low | 97 Ų | 97 | 133 Ų | 133 | 63% | 0.63 | 80% | 0.798 | S | S | * | * | | | trans | -116.3 | 175.7 | -152.2 | 43.8 | -33.1 | 0 | 0 | 0 | 115 | | |
| 49 | Y | 39.8 | Very low | 45 | Very low | 232 Ų | 232 | 133.5 Ų | 133.5 | 91% | 0.91 | 80% | 0.8 | S | S | * | * | | | trans | 53.7 | 114.3 | 149.9 | -145.6 | -94.4 | 0 | 0 | 0 | 118.9 | | |
| 50 | G | 35.6 | Very low | 45.4 | Very low | 76 Ų | 76 | 133.5 Ų | 133.5 | 78% | 0.784 | 80% | 0.802 | S | S | * | * | | | trans | -166.8 | 90 | 167.3 | 0 | 0 | 0 | 0 | 0 | 111.7 | | |
| 51 | G | 47 | Very low | 45.4 | Very low | 68 Ų | 68 | 137 Ų | 137 | 70% | 0.701 | 81% | 0.805 | S | S | * | * | | | trans | -77 | 171 | 157.8 | 0 | 0 | 0 | 0 | 0 | 111.6 | | |
| 52 | A | 42.9 | Very low | 45.5 | Very low | 115 Ų | 115 | 136.9 Ų | 136.9 | 95% | 0.95 | 80% | 0.804 | S | S | * | * | | | trans | 83.7 | 118.8 | 174.6 | 0 | 0 | 0 | 0 | 0 | 117 | | |
| 53 | G | 45 | Very low | 45.4 | Very low | 75 Ų | 75 | 138.3 Ų | 138.3 | 77% | 0.773 | 81% | 0.808 | S | S | * | * | | | trans | 172.9 | 45.7 | 171.4 | 0 | 0 | 0 | 0 | 0 | 113.4 | D55 | G53-D55 PolarHBondContact O-N 3.26Š|
| 54 | M | 53.8 | Low | 45.8 | Very low | 196 Ų | 196 | 141.1 Ų | 141.1 | 97% | 0.966 | 81% | 0.81 | S | S | * | * | | | trans | -68.2 | 100.2 | 154.8 | -78.7 | 178.5 | 161.4 | 0 | 0 | 106.4 | | |
| 55 | D | 41.3 | Very low | 45.7 | Very low | 155 Ų | 155 | 141.1 Ų | 141.1 | 83% | 0.829 | 81% | 0.811 | S | S | * | * | | | trans | -140.2 | 112.6 | 168.6 | -154.5 | -98.8 | 0 | 0 | 0 | 111.2 | G53 | G53-D55 PolarHBondContact O-N 3.26Š|
| 56 | G | 49.9 | Very low | 45.2 | Very low | 66 Ų | 66 | 137.4 Ų | 137.4 | 68% | 0.68 | 82% | 0.815 | S | S | * | * | | | | 60.1 | 75.3 | 130 | 0 | 0 | 0 | 0 | 0 | 119.1 | | |
| 57 | A | 40.6 | Very low | 45 | Very low | 105 Ų | 105 | 138.5 Ų | 138.5 | 87% | 0.868 | 82% | 0.818 | S | S | * | * | | | trans | -129.9 | 65.8 | 146.6 | 0 | 0 | 0 | 0 | 0 | 110.4 | R59 | A57-R59 PolarHBondContact O-N 2.87Å; A57-R59 VanDerWaalsContact O-N 3.15Å |
| 58 | M | 44.8 | Very low | 44.7 | Very low | 179 Ų | 179 | 140 Ų | 140 | 88% | 0.882 | 83% | 0.825 | S | S | * | * | | | trans | -64.2 | 103.2 | 160.7 | -80.4 | -163.1 | -87.3 | 0 | 0 | 110.3 | | |
| 59 | R | 47.6 | Very low | 44 | Very low | 238 Ų | 238 | 138.1 Ų | 138.1 | 90% | 0.898 | 82% | 0.824 | S | S | * | * | | | trans | 66.6 | 165.3 | 145.7 | -68.9 | -178.6 | 160.1 | -164.6 | -4.3 | 117.2 | A57 | A57-R59 PolarHBondContact O-N 2.87Å; A57-R59 VanDerWaalsContact O-N 3.15Å |
| 60 | P | 48.8 | Very low | 44 | Very low | 115 Ų | 115 | 136.3 Ų | 136.3 | 75% | 0.747 | 82% | 0.824 | S | S | * | * | | | cis | -128.6 | 161.5 | 12.2 | 36.4 | -17 | 0 | 0 | 0 | 116.7 | | |
| 61 | R | 52.4 | Low | 44.1 | Very low | 216 Ų | 216 | 141.5 Ų | 141.5 | 82% | 0.815 | 83% | 0.827 | S | S | * | * | | | trans | -59 | 140.4 | 163 | -65.2 | 165.8 | 64.9 | 172.5 | 1.3 | 110.7 | | |
| 62 | P | 45.8 | Very low | 43.6 | Very low | 131 Ų | 131 | 146.9 Ų | 146.9 | 85% | 0.851 | 83% | 0.834 | S | S | * | * | | | trans | -88.4 | 114.7 | 153.4 | -2.7 | 22 | 0 | 0 | 0 | 109.8 | | |
| 63 | N | 39.2 | Very low | 43.7 | Very low | 147 Ų | 147 | 150.3 Ų | 150.3 | 79% | 0.786 | 83% | 0.833 | S | S | * | * | | | trans | -4.2 | 143.3 | 162.3 | -123 | -18.3 | 0 | 0 | 0 | 122.8 | | |
| 64 | L | 49.9 | Very low | 43.3 | Very low | 143 Ų | 143 | 154.4 Ų | 154.4 | 75% | 0.749 | 83% | 0.832 | S | S | * | * | | | trans | -55.1 | 125.7 | 149.1 | -108 | 64.9 | 0 | 0 | 0 | 110.1 | | |
| 65 | S | 41.4 | Very low | 42.4 | Very low | 116 Ų | 116 | 152 Ų | 152 | 81% | 0.811 | 82% | 0.822 | S | S | * | * | | | trans | -161.5 | 116.3 | 156.3 | 57.2 | 0 | 0 | 0 | 0 | 112 | | |
| 66 | G | 37.5 | Very low | 42.4 | Very low | 82 Ų | 82 | 148 Ų | 148 | 85% | 0.845 | 81% | 0.811 | S | S | * | * | | | trans | 84.2 | 133.6 | 166.4 | 0 | 0 | 0 | 0 | 0 | 113.8 | | |
| 67 | Q | 40.9 | Very low | 41.9 | Very low | 190 Ų | 190 | 152.4 Ų | 152.4 | 89% | 0.888 | 82% | 0.816 | S | S | * | * | | | cis | -163.6 | 123 | 21.2 | -154.3 | 175.1 | 44.7 | 0 | 0 | 106.9 | | |
| 68 | M | 43.5 | Very low | 41.7 | Very low | 197 Ų | 197 | 155.2 Ų | 155.2 | 97% | 0.97 | 81% | 0.813 | S | S | * | * | | | trans | -65.1 | 130.4 | 157.3 | -103 | -166.9 | -73 | 0 | 0 | 107.3 | | |
| 69 | G | 36.2 | Very low | 41.4 | Very low | 59 Ų | 59 | 155.2 Ų | 155.2 | 61% | 0.608 | 81% | 0.808 | S | S | * | * | | | trans | 179.8 | 98.1 | 173.2 | 0 | 0 | 0 | 0 | 0 | 115.6 | | |
| 70 | H | 38.8 | Very low | 40.6 | Very low | 194 Ų | 194 | 150 Ų | 150 | 90% | 0.898 | 80% | 0.799 | S | S | * | * | | | trans | 76.6 | 119.2 | 137.3 | -70.8 | -81.9 | 0 | 0 | 0 | 122.1 | | |
| 71 | H | 38.5 | Very low | 40.1 | Very low | 185 Ų | 185 | 147.3 Ų | 147.3 | 86% | 0.856 | 79% | 0.792 | S | S | * | * | | | trans | -42.5 | 141.5 | 152.5 | -51.5 | 154.6 | 0 | 0 | 0 | 113.6 | | |
| 72 | Q | 36.7 | Very low | 40.1 | Very low | 180 Ų | 180 | 142.9 Ų | 142.9 | 84% | 0.841 | 79% | 0.791 | S | S | * | * | | | trans | -157.9 | 103.8 | 133.4 | -156.9 | 176.1 | 31.9 | 0 | 0 | 111.5 | | |
| 73 | M | 44.3 | Very low | 40 | Very low | 188 Ų | 188 | 142 Ų | 142 | 93% | 0.926 | 79% | 0.788 | S | S | * | * | | | trans | -95.8 | 113.3 | 155.6 | 174.3 | -175.1 | 178.5 | 0 | 0 | 106.6 | | |
| 74 | Q | 36.6 | Very low | 40 | Very low | 160 Ų | 160 | 144 Ų | 144 | 75% | 0.748 | 79% | 0.793 | S | S | * | * | | | trans | -166.9 | 97 | 161.4 | -154.3 | 141.7 | 13.5 | 0 | 0 | 109 | | |
| 75 | N | 35.4 | Very low | 39.8 | Very low | 145 Ų | 145 | 145 Ų | 145 | 78% | 0.775 | 79% | 0.793 | S | S | * | * | | | | 71.1 | 119.6 | 91.6 | -151.5 | -20.6 | 0 | 0 | 0 | 114.9 | | |
| 76 | A | 41.9 | Very low | 40.2 | Very low | 71 Ų | 71 | 147.7 Ų | 147.7 | 59% | 0.587 | 79% | 0.793 | S | S | * | * | | | trans | 53.9 | 124.9 | 154.2 | 0 | 0 | 0 | 0 | 0 | 119.7 | | |
| 77 | M | 39.8 | Very low | 40.5 | Very low | 159 Ų | 159 | 152 Ų | 152 | 78% | 0.783 | 79% | 0.791 | S | S | * | * | | | | 178.5 | 137 | 98.6 | -94.2 | -174.9 | -76.2 | 0 | 0 | 113.3 | | |
| 78 | M | 36.3 | Very low | 40.3 | Very low | 165 Ų | 165 | 154 Ų | 154 | 81% | 0.813 | 79% | 0.793 | S | S | * | * | | | trans | 69.8 | 113.8 | 139.5 | -66.3 | -163.6 | -162.3 | 0 | 0 | 122 | | |
| 79 | F | 36.8 | Very low | 40.4 | Very low | 178 Ų | 178 | 153 Ų | 153 | 78% | 0.781 | 79% | 0.787 | S | S | * | * | | | | 77.7 | 132.2 | 112.9 | -159.3 | -106.7 | 0 | 0 | 0 | 120.2 | | |
| 80 | N | 32.2 | Very low | 41.3 | Very low | 129 Ų | 129 | 151.8 Ų | 151.8 | 69% | 0.69 | 78% | 0.775 | S | S | * | * | | | trans | 78.7 | 115 | 156.2 | -113.7 | 22.5 | 0 | 0 | 0 | 120.1 | | |
| 81 | G | 36.8 | Very low | 41.9 | Very low | 59 Ų | 59 | 148.8 Ų | 148.8 | 61% | 0.608 | 77% | 0.773 | S | S | * | * | | | trans | -81.3 | -167 | 145.5 | 0 | 0 | 0 | 0 | 0 | 111 | | |
| 82 | P | 54.3 | Low | 42.7 | Very low | 122 Ų | 122 | 142.8 Ų | 142.8 | 79% | 0.792 | 75% | 0.749 | S | S | * | * | | | cis | -115.6 | -179.7 | -18.3 | 35.2 | -18.6 | 0 | 0 | 0 | 111.7 | | |
| 83 | S | 43.2 | Very low | 43.8 | Very low | 114 Ų | 114 | 137 Ų | 137 | 80% | 0.797 | 74% | 0.738 | S | S | * | * | | | trans | 79.9 | 113.6 | 172.5 | 75.7 | 0 | 0 | 0 | 0 | 117.4 | | |
| 84 | Q | 39.8 | Very low | 44.3 | Very low | 188 Ų | 188 | 132.9 Ų | 132.9 | 88% | 0.879 | 72% | 0.723 | S | S | * | * | | | | -177.8 | 120.6 | 126.9 | -91.8 | -84.6 | 59.8 | 0 | 0 | 109 | | |
| 85 | Q | 44.1 | Very low | 45.4 | Very low | 163 Ų | 163 | 131.7 Ų | 131.7 | 76% | 0.762 | 72% | 0.718 | S | S | * | * | | | trans | -68.8 | 147.5 | 170 | -73.3 | -177.3 | -2.5 | 0 | 0 | 110.4 | | |
| 86 | Q | 50.8 | Low | 46.8 | Very low | 173 Ų | 173 | 130.7 Ų | 130.7 | 81% | 0.808 | 71% | 0.708 | S | S | * | * | | | trans | 45.1 | 115.3 | 148.5 | -66.6 | -176.9 | 36.2 | 0 | 0 | 119.1 | | |
| 87 | Q | 44 | Very low | 48.3 | Very low | 172 Ų | 172 | 132.5 Ų | 132.5 | 80% | 0.804 | 71% | 0.708 | S | S | * | * | | | | -174.7 | 106.3 | 116.3 | -145.2 | 154.7 | -77.3 | 0 | 0 | 110.4 | | |
| 88 | Y | 36.6 | Very low | 49.8 | Very low | 234 Ų | 234 | 129.9 Ų | 129.9 | 92% | 0.918 | 70% | 0.695 | S | S | * | * | | | trans | -140.1 | 81 | 157.7 | -152.7 | -98.7 | 0 | 0 | 0 | 109.7 | G90 | Y88-G90 PolarHBondContact O-N 3.11Š|
| 89 | M | 45.6 | Very low | 51.1 | Low | 174 Ų | 174 | 124.4 Ų | 124.4 | 86% | 0.857 | 68% | 0.676 | S | S | * | * | | | trans | -75.9 | 93.9 | 172.5 | -70.7 | 177.2 | 68.6 | 0 | 0 | 109.5 | | |
| 90 | G | 54.8 | Low | 52.7 | Low | 34 Ų | 34 | 118.5 Ų | 118.5 | 35% | 0.351 | 66% | 0.657 | S | S | . | * | | | trans | -91.4 | 168.9 | 153.2 | 0 | 0 | 0 | 0 | 0 | 110.4 | Y88 V92 | Y88-G90 PolarHBondContact O-N 3.11Å; G90-V92 PolarHBondContact O-N 3.33Å |
| 91 | P | 51 | Low | 54.7 | Low | 132 Ų | 132 | 117.7 Ų | 117.7 | 86% | 0.857 | 65% | 0.65 | S | S | * | * | S | Bend | trans | -73.9 | 62.8 | 179.5 | 33.8 | -35.1 | 0 | 0 | 0 | 110.4 | | |
| 92 | V | 56.2 | Low | 56.2 | Low | 58 Ų | 58 | 120.7 Ų | 120.7 | 35% | 0.352 | 65% | 0.648 | S | S | . | * | | | trans | -98.5 | 1.7 | 177.4 | -150.7 | 0 | 0 | 0 | 0 | 110.3 | G90 T94 Q95 Q96 | G90-V92 PolarHBondContact O-N 3.33Å; V92-T94 VanDerWaalsContact C-N 3.32Å; V92-T94 PolarHBondContact O-N 3.24Å; V92-Q95 HydrophobicContact CG1-CB 4.28Å; V92-Q95 PolarHBondContact O-N 2.89Å; V92-Q96 HydrophobicContact CB-CG 3.85Å; V92-Q96 HydrophobicContact CG1-CG 3.29Å; V92-Q96 VanDerWaalsContact O-CB 3.27Å; V92-Q96 WeakPolarHBondContact O-CB 3.16Å; V92-Q96 WeakPolarHBondContact O-CG 3.48Å; V92-Q96 PolarHBondContact O-N 2.88Å |
| 93 | G | 58.5 | Low | 57.1 | Low | 59 Ų | 59 | 120.5 Ų | 120.5 | 61% | 0.608 | 64% | 0.639 | S | S | * | * | H | α-helix | trans | -56.7 | -41.3 | -177.3 | 0 | 0 | 0 | 0 | 0 | 113.6 | L97 | G93-L97 WeakPolarHBondContact O-CB 3.24Å; G93-L97 PolarHBondContact O-N 2.98Å; G93-L97 VanDerWaalsContact O-N 3.16Å |
| 94 | T | 56.3 | Low | 58.3 | Low | 101 Ų | 101 | 120.7 Ų | 120.7 | 62% | 0.62 | 63% | 0.628 | S | S | * | * | H | α-helix | trans | -78 | -41 | 179.2 | 48.1 | 0 | 0 | 0 | 0 | 112.8 | V92 L97 M98 | V92-T94 VanDerWaalsContact C-N 3.32Å; V92-T94 PolarHBondContact O-N 3.24Å; T94-L97 PolarHBondContact O-N 3.35Å; T94-M98 PolarHBondContact O-N 3.27Å |
| 95 | Q | 59.2 | Low | 59.5 | Low | 136 Ų | 136 | 120 Ų | 120 | 64% | 0.636 | 62% | 0.622 | S | S | * | * | H | α-helix | trans | -70.4 | -40.1 | 178.3 | -71.2 | -150.7 | 95.7 | 0 | 0 | 112.6 | V92 L97 M98 A99 | V92-Q95 HydrophobicContact CG1-CB 4.28Å; V92-Q95 PolarHBondContact O-N 2.89Å; Q95-L97 VanDerWaalsContact C-N 3.35Å; Q95-M98 PolarHBondContact O-N 3.48Å; Q95-A99 WeakPolarHBondContact O-CB 3.29Å; Q95-A99 PolarHBondContact O-N 2.89Å |
| 96 | Q | 65.2 | Low | 60.4 | Low | 123 Ų | 123 | 118.1 Ų | 118.1 | 58% | 0.575 | 62% | 0.616 | S | S | * | * | H | α-helix | trans | -69.7 | -34.5 | 175.7 | -62.8 | -139.5 | 37.1 | 0 | 0 | 111.6 | V92 A99 S100 | V92-Q96 HydrophobicContact CB-CG 3.85Å; V92-Q96 HydrophobicContact CG1-CG 3.29Å; V92-Q96 VanDerWaalsContact O-CB 3.27Å; V92-Q96 WeakPolarHBondContact O-CB 3.16Å; V92-Q96 WeakPolarHBondContact O-CG 3.48Å; V92-Q96 PolarHBondContact O-N 2.88Å; Q96-A99 PolarHBondContact O-N 3.44Å; Q96-S100 VanDerWaalsContact O-CB 3.22Å; Q96-S100 WeakPolarHBondContact O-CB 3.34Å; Q96-S100 PolarHBondContact O-N 3.24Å; Q96-S100 PolarHBondContact O-OG 2.71Å |
| 97 | L | 73.6 | Confident | 60.8 | Low | 109 Ų | 109 | 114.7 Ų | 114.7 | 57% | 0.571 | 60% | 0.604 | S | S | * | * | H | α-helix | trans | -66.9 | -44.3 | 174.9 | -177.1 | 67.3 | 0 | 0 | 0 | 111.4 | G93 T94 Q95 S100 M101 | G93-L97 WeakPolarHBondContact O-CB 3.24Å; G93-L97 PolarHBondContact O-N 2.98Å; G93-L97 VanDerWaalsContact O-N 3.16Å; T94-L97 PolarHBondContact O-N 3.35Å; Q95-L97 VanDerWaalsContact C-N 3.35Å; L97-S100 PolarHBondContact O-N 2.98Å; L97-M101 WeakPolarHBondContact O-CB 3.26Å; L97-M101 WeakPolarHBondContact O-CG 3.48Å; L97-M101 PolarHBondContact O-N 2.87Å |
| 98 | M | 70.3 | Confident | 61.5 | Low | 105 Ų | 105 | 111.4 Ų | 111.4 | 52% | 0.517 | 60% | 0.595 | S | S | . | * | H | α-helix | trans | -60.1 | -46.1 | 173.3 | -80.3 | -167.9 | -69.7 | 0 | 0 | 111.3 | T94 Q95 S100 M101 H102 | T94-M98 PolarHBondContact O-N 3.27Å; Q95-M98 PolarHBondContact O-N 3.48Å; M98-S100 VanDerWaalsContact C-N 3.31Å; M98-S100 PolarHBondContact O-N 3.46Å; M98-M101 PolarHBondContact O-N 2.76Å; M98-H102 PolarHBondContact O-CD2 2.97Å; M98-H102 PolarHBondContact O-N 3.05Å; M98-H102 PolarHBondContact O-ND1 2.95Å |
| 99 | A | 64.7 | Low | 62.5 | Low | 49 Ų | 49 | 107.8 Ų | 107.8 | 41% | 0.405 | 59% | 0.587 | S | S | . | * | H | α-helix | trans | -60.2 | -39.6 | 175.2 | 0 | 0 | 0 | 0 | 0 | 112.4 | Q95 Q96 H102 L103 | Q95-A99 WeakPolarHBondContact O-CB 3.29Å; Q95-A99 PolarHBondContact O-N 2.89Å; Q96-A99 PolarHBondContact O-N 3.44Å; A99-H102 PolarHBondContact O-N 3.25Å; A99-L103 WeakPolarHBondContact O-CG 3.42Å; A99-L103 PolarHBondContact O-N 3.34Å |
| 100 | S | 69.8 | Low | 62.7 | Low | 55 Ų | 55 | 109.4 Ų | 109.4 | 39% | 0.385 | 59% | 0.585 | S | S | . | * | H | α-helix | trans | -71 | -34.8 | 178.7 | -60.8 | 0 | 0 | 0 | 0 | 112.8 | Q96 L97 M98 Q104 | Q96-S100 VanDerWaalsContact O-CB 3.22Å; Q96-S100 WeakPolarHBondContact O-CB 3.34Å; Q96-S100 PolarHBondContact O-N 3.24Å; Q96-S100 PolarHBondContact O-OG 2.71Å; L97-S100 PolarHBondContact O-N 2.98Å; M98-S100 VanDerWaalsContact C-N 3.31Å; M98-S100 PolarHBondContact O-N 3.46Å; S100-Q104 WeakPolarHBondContact O-CB 3.38Å; S100-Q104 WeakPolarHBondContact O-CG 3.38Å; S100-Q104 PolarHBondContact O-N 3.38Å; S100-Q104 PolarHBondContact O-NE2 3.37Å |
| 101 | M | 74.1 | Confident | 62.7 | Low | 112 Ų | 112 | 115.8 Ų | 115.8 | 55% | 0.552 | 61% | 0.606 | S | S | * | * | H | α-helix | trans | -67.7 | -40.4 | 172.5 | -74.1 | -67.6 | -66.2 | 0 | 0 | 111.3 | L97 M98 Q104 K105 | L97-M101 WeakPolarHBondContact O-CB 3.26Å; L97-M101 WeakPolarHBondContact O-CG 3.48Å; L97-M101 PolarHBondContact O-N 2.87Å; M98-M101 PolarHBondContact O-N 2.76Å; M101-Q104 PolarHBondContact O-N 3.08Å; M101-K105 PolarHBondContact O-N 3.47Å |
| 102 | H | 69 | Low | 62.6 | Low | 121 Ų | 121 | 112.1 Ų | 112.1 | 56% | 0.56 | 59% | 0.592 | S | S | * | * | H | α-helix | trans | -64.5 | -41.5 | 176.3 | -61 | 163 | 0 | 0 | 0 | 111.8 | M98 A99 K105 L106 | M98-H102 PolarHBondContact O-CD2 2.97Å; M98-H102 PolarHBondContact O-N 3.05Å; M98-H102 PolarHBondContact O-ND1 2.95Å; A99-H102 PolarHBondContact O-N 3.25Å; H102-K105 WeakPolarHBondContact O-CB 3.22Å; H102-K105 PolarHBondContact O-N 3.48Å; H102-L106 PolarHBondContact O-N 3.39Å |
| 103 | L | 72.8 | Confident | 62.1 | Low | 118 Ų | 118 | 117.1 Ų | 117.1 | 62% | 0.618 | 61% | 0.611 | S | S | * | * | H | α-helix | trans | -66.9 | -40.8 | 175.8 | -77.1 | 165.7 | 0 | 0 | 0 | 112.7 | A99 K105 L106 N107 | A99-L103 WeakPolarHBondContact O-CG 3.42Å; A99-L103 PolarHBondContact O-N 3.34Å; L103-K105 VanDerWaalsContact C-N 3.3Å; L103-K105 PolarHBondContact O-N 2.84Å; L103-L106 PolarHBondContact O-N 3.05Å; L103-N107 PolarHBondContact O-N 3.03Å |
| 104 | Q | 68.1 | Low | 61.6 | Low | 119 Ų | 119 | 119.8 Ų | 119.8 | 56% | 0.556 | 62% | 0.617 | S | S | * | * | H | α-helix | trans | -60.6 | -39.5 | 173.5 | -82.3 | -179.9 | 92.8 | 0 | 0 | 112.1 | S100 M101 L106 N107 T108 | S100-Q104 WeakPolarHBondContact O-CB 3.38Å; S100-Q104 WeakPolarHBondContact O-CG 3.38Å; S100-Q104 PolarHBondContact O-N 3.38Å; S100-Q104 PolarHBondContact O-NE2 3.37Å; M101-Q104 PolarHBondContact O-N 3.08Å; Q104-L106 PolarHBondContact O-N 3.49Å; Q104-N107 PolarHBondContact O-N 3.27Å; Q104-N107 VanDerWaalsContact O-N 3.12Å; Q104-T108 PolarHBondContact O-N 3.25Å; Q104-T108 PolarHBondContact O-OG1 3.27Å |
| 105 | K | 65.1 | Low | 61.2 | Low | 172 Ų | 172 | 122.5 Ų | 122.5 | 75% | 0.748 | 63% | 0.627 | S | S | * | * | H | α-helix | trans | -60.4 | -32 | 177.6 | -159.9 | 178.4 | -174.3 | -175.5 | 0 | 112.6 | M101 H102 L103 | M101-K105 PolarHBondContact O-N 3.47Å; H102-K105 WeakPolarHBondContact O-CB 3.22Å; H102-K105 PolarHBondContact O-N 3.48Å; L103-K105 VanDerWaalsContact C-N 3.3Å; L103-K105 PolarHBondContact O-N 2.84Å |
| 106 | L | 63.3 | Low | 60.3 | Low | 124 Ų | 124 | 120 Ų | 120 | 65% | 0.649 | 64% | 0.638 | S | S | * | * | H | α-helix | trans | -82.7 | -30 | 176 | -61.8 | 172.8 | 0 | 0 | 0 | 112.6 | H102 L103 Q104 | H102-L106 PolarHBondContact O-N 3.39Å; L103-L106 PolarHBondContact O-N 3.05Å; Q104-L106 PolarHBondContact O-N 3.49Å |
| 107 | N | 58.2 | Low | 59.4 | Low | 101 Ų | 101 | 121.8 Ų | 121.8 | 54% | 0.54 | 65% | 0.649 | S | S | . | * | H | α-helix | trans | -76.4 | -28.8 | -177 | -156.7 | -80.4 | 0 | 0 | 0 | 113.4 | L103 Q104 Q109 Y110 | L103-N107 PolarHBondContact O-N 3.03Å; Q104-N107 PolarHBondContact O-N 3.27Å; Q104-N107 VanDerWaalsContact O-N 3.12Å; N107-Q109 PolarHBondContact O-N 3.21Å; N107-Q109 VanDerWaalsContact O-N 3.09Å; N107-Y110 PolarHBondContact O-N 3.12Å |
| 108 | T | 58.6 | Low | 58.3 | Low | 103 Ų | 103 | 121.2 Ų | 121.2 | 63% | 0.632 | 65% | 0.654 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -57.6 | -25.5 | 177.7 | -68.8 | 0 | 0 | 0 | 0 | 113.9 | Q104 Y110 Q111 | Q104-T108 PolarHBondContact O-N 3.25Å; Q104-T108 PolarHBondContact O-OG1 3.27Å; T108-Y110 PolarHBondContact O-N 2.66Å; T108-Q111 PolarHBondContact O-N 2.94Å |
| 109 | Q | 57.5 | Low | 57.1 | Low | 159 Ų | 159 | 123.5 Ų | 123.5 | 74% | 0.743 | 67% | 0.668 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -67.6 | -15.9 | -179 | -115.2 | -176.8 | -88.8 | 0 | 0 | 114.1 | N107 | N107-Q109 PolarHBondContact O-N 3.21Å; N107-Q109 VanDerWaalsContact O-N 3.09Å |
| 110 | Y | 50.8 | Low | 55.7 | Low | 207 Ų | 207 | 124.1 Ų | 124.1 | 81% | 0.812 | 68% | 0.679 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -106.9 | -22.2 | 178.1 | -85.3 | -88.8 | 0 | 0 | 0 | 114.3 | N107 T108 G112 | N107-Y110 PolarHBondContact O-N 3.12Å; T108-Y110 PolarHBondContact O-N 2.66Å; Y110-G112 VanDerWaalsContact C-N 3.3Å; Y110-G112 PolarHBondContact O-N 2.8Å |
| 111 | Q | 53.9 | Low | 54.5 | Low | 169 Ų | 169 | 128.1 Ų | 128.1 | 79% | 0.79 | 70% | 0.704 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -87.1 | 3.6 | -175 | -157.9 | 164.5 | 1.2 | 0 | 0 | 114.2 | T108 | T108-Q111 PolarHBondContact O-N 2.94Š|
| 112 | G | 49.1 | Very low | 53.1 | Low | 54 Ų | 54 | 131.6 Ų | 131.6 | 56% | 0.557 | 72% | 0.721 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -115.9 | 12.8 | -176.1 | 0 | 0 | 0 | 0 | 0 | 116.3 | Y110 P114 | Y110-G112 VanDerWaalsContact C-N 3.3Å; Y110-G112 PolarHBondContact O-N 2.8Å; G112-P114 WeakPolarHBondContact O-CD 3.23Å |
| 113 | H | 46.2 | Very low | 51.7 | Low | 164 Ų | 164 | 129 Ų | 129 | 76% | 0.759 | 73% | 0.727 | S | S | * | * | | | trans | -94.7 | 96.1 | 169.2 | -79.7 | 81 | 0 | 0 | 0 | 109.3 | L115 | H113-L115 PolarHBondContact O-N 2.87Š|
| 114 | P | 48 | Very low | 50.4 | Low | 114 Ų | 114 | 129 Ų | 129 | 74% | 0.74 | 74% | 0.744 | S | S | * | * | | | trans | -60.2 | 136.3 | 161 | 28.1 | -31.8 | 0 | 0 | 0 | 106.9 | G112 G116 | G112-P114 WeakPolarHBondContact O-CD 3.23Å; P114-G116 PolarHBondContact O-N 3.18Å |
| 115 | L | 47.7 | Very low | 49 | Very low | 159 Ų | 159 | 126.7 Ų | 126.7 | 83% | 0.832 | 75% | 0.752 | S | S | * | * | | | trans | -43.1 | 105.8 | 166.8 | -65.5 | 164.3 | 0 | 0 | 0 | 108.3 | H113 M117 | H113-L115 PolarHBondContact O-N 2.87Å; L115-M117 HydrophobicContact CB-CG 4.36Å; L115-M117 PolarHBondContact O-N 3.33Å |
| 116 | G | 40.1 | Very low | 48 | Very low | 84 Ų | 84 | 122.5 Ų | 122.5 | 87% | 0.866 | 75% | 0.75 | S | S | * | * | | | trans | -70 | 67.3 | 170.4 | 0 | 0 | 0 | 0 | 0 | 108.8 | P114 S118 | P114-G116 PolarHBondContact O-N 3.18Å; G116-S118 PolarHBondContact O-N 3.5Å |
| 117 | M | 46.8 | Very low | 47.1 | Very low | 160 Ų | 160 | 125 Ų | 125 | 79% | 0.788 | 76% | 0.758 | S | S | * | * | | | trans | -63.2 | 113.8 | 160.2 | -65.3 | -179 | 69 | 0 | 0 | 106.2 | L115 | L115-M117 HydrophobicContact CB-CG 4.36Å; L115-M117 PolarHBondContact O-N 3.33Å |
| 118 | S | 50.2 | Low | 46.6 | Very low | 97 Ų | 97 | 128.9 Ų | 128.9 | 68% | 0.678 | 77% | 0.773 | S | S | * | * | S | Bend | | 34.6 | 100 | 125.1 | -173.1 | 0 | 0 | 0 | 0 | 114.4 | G116 | G116-S118 PolarHBondContact O-N 3.5Š|
| 119 | N | 45.6 | Very low | 45.6 | Very low | 153 Ų | 153 | 134.2 Ų | 134.2 | 82% | 0.818 | 78% | 0.783 | S | S | * | * | | | trans | 158.1 | 87.5 | 130.1 | -80.5 | 9.5 | 0 | 0 | 0 | 110.5 | | |
| 120 | G | 35.7 | Very low | 45.1 | Very low | 62 Ų | 62 | 138.1 Ų | 138.1 | 64% | 0.639 | 79% | 0.791 | S | S | * | * | | | trans | -104 | 136.1 | 151.2 | 0 | 0 | 0 | 0 | 0 | 108.3 | M122 | G120-M122 VanDerWaalsContact C-N 3.31Å; G120-M122 PolarHBondContact O-N 2.94Å |
| 121 | P | 43.8 | Very low | 44.6 | Very low | 138 Ų | 138 | 133.9 Ų | 133.9 | 90% | 0.896 | 79% | 0.786 | S | S | * | * | | | trans | -74.4 | 86.4 | -180 | 30.4 | -31 | 0 | 0 | 0 | 109.2 | G123 | P121-G123 PolarHBondContact O-N 3.46Š|
| 122 | M | 44.4 | Very low | 44.2 | Very low | 185 Ų | 185 | 128.8 Ų | 128.8 | 91% | 0.911 | 78% | 0.779 | S | S | * | * | P | Polyproline II helix | trans | -68.7 | 126.8 | 164 | -82.3 | -66.1 | -122.1 | 0 | 0 | 108.5 | G120 | G120-M122 VanDerWaalsContact C-N 3.31Å; G120-M122 PolarHBondContact O-N 2.94Å |
| 123 | G | 40.9 | Very low | 44.6 | Very low | 68 Ų | 68 | 132 Ų | 132 | 70% | 0.701 | 79% | 0.791 | S | S | * | * | P | Polyproline II helix | trans | -55.4 | 152.5 | -170.9 | 0 | 0 | 0 | 0 | 0 | 114.2 | P121 G125 | P121-G123 PolarHBondContact O-N 3.46Å; G123-G125 PolarHBondContact O-N 2.82Å |
| 124 | A | 44.8 | Very low | 44.3 | Very low | 116 Ų | 116 | 129.6 Ų | 129.6 | 96% | 0.959 | 79% | 0.792 | S | S | * | * | P | Polyproline II helix | trans | -49 | 119.3 | 164.9 | 0 | 0 | 0 | 0 | 0 | 110.5 | | |
| 125 | G | 37.3 | Very low | 44.1 | Very low | 71 Ų | 71 | 133 Ų | 133 | 73% | 0.732 | 80% | 0.798 | S | S | * | * | | | trans | -174.8 | 83.3 | 178.9 | 0 | 0 | 0 | 0 | 0 | 109.8 | G123 Q127 | G123-G125 PolarHBondContact O-N 2.82Å; G125-Q127 PolarHBondContact O-N 2.99Å |
| 126 | A | 44.1 | Very low | 43.9 | Very low | 85 Ų | 85 | 133.8 Ų | 133.8 | 70% | 0.702 | 80% | 0.797 | S | S | * | * | | | trans | -42.2 | 131.1 | 172.1 | 0 | 0 | 0 | 0 | 0 | 112.6 | | |
| 127 | Q | 46.2 | Very low | 44.2 | Very low | 177 Ų | 177 | 135.7 Ų | 135.7 | 83% | 0.827 | 79% | 0.794 | S | S | * | * | | | | -160.3 | 109.9 | 114.6 | -81.7 | -40 | -31.5 | 0 | 0 | 110.2 | G125 | G125-Q127 PolarHBondContact O-N 2.99Š|
| 128 | Q | 46.3 | Very low | 44.2 | Very low | 181 Ų | 181 | 131.5 Ų | 131.5 | 85% | 0.846 | 79% | 0.792 | S | S | * | * | | | trans | -72.2 | 120.8 | 160.4 | -60.1 | 176.7 | -79 | 0 | 0 | 107.4 | | |
| 129 | Y | 37.5 | Very low | 44.1 | Very low | 215 Ų | 215 | 135.2 Ų | 135.2 | 84% | 0.843 | 80% | 0.801 | S | S | * | * | | | trans | -133.4 | 96.2 | 149.5 | -138.2 | -97.5 | 0 | 0 | 0 | 110 | V131 | Y129-V131 HydrophobicContact CD1-CG2 4Å; Y129-V131 HydrophobicContact CE1-CG2 3.61Å |
| 130 | R | 46.9 | Very low | 44 | Very low | 241 Ų | 241 | 136.7 Ų | 136.7 | 91% | 0.909 | 80% | 0.803 | S | S | * | * | | | trans | -92.2 | 110.6 | 170.2 | 180 | -162.5 | -163.4 | -107.2 | 4.9 | 107.2 | | |
| 131 | V | 41.8 | Very low | 44.5 | Very low | 118 Ų | 118 | 142 Ų | 142 | 72% | 0.715 | 81% | 0.81 | S | S | * | * | | | trans | -141.3 | 113.3 | 154.4 | -179.5 | 0 | 0 | 0 | 0 | 107.1 | Y129 | Y129-V131 HydrophobicContact CD1-CG2 4Å; Y129-V131 HydrophobicContact CE1-CG2 3.61Å |
| 132 | G | 44.3 | Very low | 44.6 | Very low | 62 Ų | 62 | 142.8 Ų | 142.8 | 64% | 0.639 | 80% | 0.804 | S | S | * | * | | | trans | -104.3 | -158 | 159.7 | 0 | 0 | 0 | 0 | 0 | 109.1 | | |
| 133 | P | 57.8 | Low | 44.6 | Very low | 123 Ų | 123 | 139.6 Ų | 139.6 | 80% | 0.799 | 80% | 0.797 | S | S | * | * | | | cis | -113.9 | 154.5 | -42.3 | 35.3 | -21.9 | 0 | 0 | 0 | 110.2 | | |
| 134 | S | 39.5 | Very low | 44.9 | Very low | 112 Ų | 112 | 141.2 Ų | 141.2 | 78% | 0.783 | 80% | 0.797 | S | S | * | * | | | trans | -143.7 | 98.5 | 163.4 | -79.1 | 0 | 0 | 0 | 0 | 110.2 | H136 | S134-H136 PolarHBondContact O-N 3.18Š|
| 135 | Q | 45.5 | Very low | 44.8 | Very low | 185 Ų | 185 | 141.6 Ų | 141.6 | 86% | 0.864 | 79% | 0.79 | S | S | * | * | | | trans | -58.7 | 116.6 | 168.1 | -59.3 | -113.1 | 76.8 | 0 | 0 | 108.8 | | |
| 136 | H | 42.6 | Very low | 45.3 | Very low | 176 Ų | 176 | 142.4 Ų | 142.4 | 82% | 0.815 | 79% | 0.79 | S | S | * | * | | | trans | -103.6 | 112.2 | 154.1 | -79.1 | 81.1 | 0 | 0 | 0 | 107.1 | S134 | S134-H136 PolarHBondContact O-N 3.18Š|
| 137 | P | 46.4 | Very low | 45.6 | Very low | 124 Ų | 124 | 144 Ų | 144 | 81% | 0.805 | 79% | 0.786 | S | S | * | * | | | trans | -81.3 | 126.3 | 173.4 | 31.1 | -27.1 | 0 | 0 | 0 | 108.7 | | |
| 138 | G | 46.8 | Very low | 45.6 | Very low | 72 Ų | 72 | 142.2 Ų | 142.2 | 74% | 0.742 | 79% | 0.787 | S | S | * | * | | | trans | 94.8 | 88.4 | 167.1 | 0 | 0 | 0 | 0 | 0 | 113 | | |
| 139 | M | 48.6 | Very low | 45.8 | Very low | 176 Ų | 176 | 140 Ų | 140 | 87% | 0.867 | 78% | 0.781 | S | S | * | * | | | | -173.9 | 96.4 | 128.3 | -85.9 | -99.6 | 154 | 0 | 0 | 104.9 | H141 | M139-H141 PolarHBondContact O-N 2.83Š|
| 140 | Q | 43.7 | Very low | 46.4 | Very low | 184 Ų | 184 | 135.1 Ų | 135.1 | 86% | 0.86 | 77% | 0.769 | S | S | * | * | | | trans | -65 | 90.2 | 165.6 | -69.6 | -78.4 | -11.2 | 0 | 0 | 105.8 | M142 | Q140-M142 PolarHBondContact O-N 2.91Š|
| 141 | H | 44.9 | Very low | 46.7 | Very low | 173 Ų | 173 | 129.1 Ų | 129.1 | 80% | 0.801 | 76% | 0.759 | S | S | * | * | | | trans | -63.2 | 95.2 | 164.8 | -123.3 | -115.2 | 0 | 0 | 0 | 105.4 | M139 | M139-H141 PolarHBondContact O-N 2.83Š|
| 142 | M | 45.7 | Very low | 47.2 | Very low | 155 Ų | 155 | 130.7 Ų | 130.7 | 76% | 0.764 | 76% | 0.761 | S | S | * | * | | | trans | -55.3 | 127 | 165.4 | -84.5 | -69.7 | -178.4 | 0 | 0 | 106.6 | Q140 S144 | Q140-M142 PolarHBondContact O-N 2.91Å; M142-S144 PolarHBondContact O-N 3.21Å |
| 143 | P | 44.5 | Very low | 47.9 | Very low | 117 Ų | 117 | 132.7 Ų | 132.7 | 76% | 0.76 | 76% | 0.756 | S | S | * | * | | | trans | -64 | 107.9 | 172.4 | 25.3 | -30 | 0 | 0 | 0 | 107.2 | | |
| 144 | S | 46.8 | Very low | 48 | Very low | 102 Ų | 102 | 130 Ų | 130 | 71% | 0.713 | 74% | 0.738 | S | S | * | * | | | trans | -50.1 | 137.4 | 168.5 | -60.5 | 0 | 0 | 0 | 0 | 108.7 | M142 A146 | M142-S144 PolarHBondContact O-N 3.21Å; S144-A146 VanDerWaalsContact C-N 3.32Å; S144-A146 PolarHBondContact O-N 2.89Å |
| 145 | P | 44.6 | Very low | 49.1 | Very low | 125 Ų | 125 | 131.1 Ų | 131.1 | 81% | 0.812 | 74% | 0.735 | S | S | * | * | | | trans | -64 | 100.4 | 175.7 | 26.2 | -30.5 | 0 | 0 | 0 | 107.3 | L147 | P145-L147 VanDerWaalsContact C-N 3.3Å; P145-L147 PolarHBondContact O-N 3.45Å |
| 146 | A | 46.4 | Very low | 50.2 | Low | 88 Ų | 88 | 129.5 Ų | 129.5 | 73% | 0.727 | 73% | 0.731 | S | S | * | * | | | trans | -64.4 | 96.1 | 173.7 | 0 | 0 | 0 | 0 | 0 | 107.2 | S144 T148 | S144-A146 VanDerWaalsContact C-N 3.32Å; S144-A146 PolarHBondContact O-N 2.89Å; A146-T148 PolarHBondContact O-N 3.37Å |
| 147 | L | 50.1 | Low | 52.1 | Low | 119 Ų | 119 | 124.8 Ų | 124.8 | 62% | 0.623 | 71% | 0.712 | S | S | * | * | | | trans | -51.1 | 121.9 | 148.6 | -59.7 | -177.4 | 0 | 0 | 0 | 104.7 | P145 L149 L182 | P145-L147 VanDerWaalsContact C-N 3.3Å; P145-L147 PolarHBondContact O-N 3.45Å; L147-L149 PolarHBondContact O-N 3.13Å; L147-L182 HydrophobicContact CD2-CD1 4.3Å |
| 148 | T | 46.6 | Very low | 54 | Low | 138 Ų | 138 | 123 Ų | 123 | 85% | 0.847 | 70% | 0.695 | S | S | * | * | | | trans | -70.6 | 52.1 | 178.1 | 55.3 | 0 | 0 | 0 | 0 | 110.1 | A146 N150 | A146-T148 PolarHBondContact O-N 3.37Å; T148-N150 PolarHBondContact O-N 3.29Å |
| 149 | L | 50.4 | Low | 55.9 | Low | 136 Ų | 136 | 125.3 Ų | 125.3 | 71% | 0.712 | 69% | 0.687 | S | S | * | * | | | trans | -67.4 | 95.1 | 158.9 | -100.7 | 165.2 | 0 | 0 | 0 | 104.8 | L147 V151 | L147-L149 PolarHBondContact O-N 3.13Å; L149-V151 PolarHBondContact O-N 2.69Å |
| 150 | N | 50 | Low | 57.7 | Low | 112 Ų | 112 | 123.9 Ų | 123.9 | 60% | 0.599 | 68% | 0.678 | S | S | * | * | | | trans | -6.5 | 96.6 | 173.6 | -161 | 62.8 | 0 | 0 | 0 | 114.2 | T148 M152 D153 | T148-N150 PolarHBondContact O-N 3.29Å; N150-M152 PolarHBondContact O-N 3.05Å; N150-D153 PolarHBondContact O-N 2.71Å |
| 151 | V | 53.2 | Low | 60 | Low | 114 Ų | 114 | 118.9 Ų | 118.9 | 69% | 0.691 | 66% | 0.66 | S | S | * | * | H | α-helix | trans | -46.5 | -19.2 | -177 | 168 | 0 | 0 | 0 | 0 | 114.2 | L149 | L149-V151 PolarHBondContact O-N 2.69Å |
| 152 | M | 53 | Low | 62.2 | Low | 152 Ų | 152 | 114 Ų | 114 | 75% | 0.749 | 64% | 0.639 | S | S | * | * | H | α-helix | trans | -81.4 | -16 | -178.6 | -60.9 | -179.2 | 65.3 | 0 | 0 | 115.6 | N150 | N150-M152 PolarHBondContact O-N 3.05Å |
| 153 | D | 59.4 | Low | 64.3 | Low | 103 Ų | 103 | 110.2 Ų | 110.2 | 55% | 0.551 | 63% | 0.625 | S | S | * | * | H | α-helix | trans | -96.9 | -26.9 | -174.9 | -163.5 | -110.3 | 0 | 0 | 0 | 112.7 | N150 | N150-D153 PolarHBondContact O-N 2.71Å |
| 154 | T | 60.2 | Low | 66.5 | Low | 66 Ų | 66 | 108.2 Ų | 108.2 | 41% | 0.405 | 61% | 0.614 | S | S | . | * | H | α-helix | trans | -76.5 | -29.4 | -177.2 | -35.4 | 0 | 0 | 0 | 0 | 112.6 | L156 I157 | T154-L156 PolarHBondContact O-N 3.49Å; T154-I157 PolarHBondContact O-N 2.77Å; T154-I157 VanDerWaalsContact O-N 3.11Å |
| 155 | D | 62.1 | Low | 68.7 | Low | 137 Ų | 137 | 107.7 Ų | 107.7 | 73% | 0.733 | 60% | 0.602 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -66.4 | -17.7 | 178.1 | -70 | -37.8 | 0 | 0 | 0 | 113.5 | | |
| 156 | L | 69.3 | Low | 70.9 | Confident | 150 Ų | 150 | 104 Ų | 104 | 79% | 0.785 | 58% | 0.578 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -89.4 | -12.5 | 176.5 | -66.5 | 173.1 | 0 | 0 | 0 | 112.9 | T154 | T154-L156 PolarHBondContact O-N 3.49Š|
| 157 | I | 80.8 | Confident | 73 | Confident | 78 Ų | 78 | 105.2 Ų | 105.2 | 40% | 0.4 | 57% | 0.571 | S | S | . | * | S | Bend | trans | -90.2 | 127.3 | -178.1 | -59.4 | 171.7 | 0 | 0 | 0 | 107.9 | T154 | T154-I157 PolarHBondContact O-N 2.77Å; T154-I157 VanDerWaalsContact O-N 3.11Å |
| 158 | D | 87.7 | Confident | 75.1 | Confident | 85 Ų | 85 | 107.4 Ų | 107.4 | 46% | 0.455 | 58% | 0.578 | S | S | . | * | | | trans | -70.8 | 135.9 | 178.4 | -174.8 | 27.3 | 0 | 0 | 0 | 111.6 | E160 V161 L162 | D158-E160 PolarHBondContact O-N 3.23Å; D158-V161 HydrophobicContact CB-CG2 4.19Å; D158-V161 WeakPolarHBondContact O-CB 3.28Å; D158-V161 PolarHBondContact O-N 3.5Å; D158-L162 PolarHBondContact O-N 3.04Å |
| 159 | E | 85.6 | Confident | 77.2 | Confident | 121 Ų | 121 | 106.7 Ų | 106.7 | 57% | 0.565 | 57% | 0.568 | S | S | * | * | H | α-helix | trans | -63.2 | -29.7 | -177.6 | -66.3 | -66.4 | 161.4 | 0 | 0 | 111.6 | V161 L162 T163 | E159-V161 VanDerWaalsContact C-N 3.31Å; E159-V161 PolarHBondContact O-N 3.11Å; E159-L162 PolarHBondContact O-N 2.78Å; E159-T163 VanDerWaalsContact O-CB 3.29Å; E159-T163 WeakPolarHBondContact O-CB 3.1Å; E159-T163 PolarHBondContact O-N 3Å; E159-T163 PolarHBondContact O-OG1 3.44Å |
| 160 | E | 87.3 | Confident | 79 | Confident | 147 Ų | 147 | 101.3 Ų | 101.3 | 69% | 0.687 | 55% | 0.546 | S | S | * | . | H | α-helix | trans | -65.9 | -36.6 | 175.4 | -59.2 | -167.5 | 96.4 | 0 | 0 | 111.3 | D158 S164 | D158-E160 PolarHBondContact O-N 3.23Å; E160-S164 WeakPolarHBondContact O-CB 3.44Å; E160-S164 PolarHBondContact O-N 3.26Å; E160-S164 PolarHBondContact O-OG 3.3Å |
| 161 | V | 90.8 | Very high | 80.9 | Confident | 78 Ų | 78 | 100 Ų | 100 | 47% | 0.473 | 54% | 0.538 | S | S | . | . | H | α-helix | trans | -71.3 | -44.3 | 175.5 | 178.4 | 0 | 0 | 0 | 0 | 110.2 | D158 E159 T163 S164 L165 | D158-V161 HydrophobicContact CB-CG2 4.19Å; D158-V161 WeakPolarHBondContact O-CB 3.28Å; D158-V161 PolarHBondContact O-N 3.5Å; E159-V161 VanDerWaalsContact C-N 3.31Å; E159-V161 PolarHBondContact O-N 3.11Å; V161-T163 PolarHBondContact O-N 2.71Å; V161-S164 WeakPolarHBondContact O-CB 3.2Å; V161-S164 PolarHBondContact O-N 3.2Å; V161-L165 HydrophobicContact CG1-CD1 4.36Å; V161-L165 WeakPolarHBondContact O-CG 3.49Å; V161-L165 PolarHBondContact O-N 3.2Å |
| 162 | L | 91.4 | Very high | 82.6 | Confident | 71 Ų | 71 | 100.4 Ų | 100.4 | 37% | 0.372 | 54% | 0.537 | S | S | . | . | H | α-helix | trans | -60.4 | -45.2 | 176.8 | -176.4 | 60 | 0 | 0 | 0 | 111.5 | D158 E159 S164 L165 V166 | D158-L162 PolarHBondContact O-N 3.04Å; E159-L162 PolarHBondContact O-N 2.78Å; L162-S164 VanDerWaalsContact C-N 3.35Å; L162-S164 PolarHBondContact O-N 3.38Å; L162-L165 PolarHBondContact O-N 2.77Å; L162-V166 WeakPolarHBondContact O-CG2 3.5Å; L162-V166 PolarHBondContact O-N 3.4Å |
| 163 | T | 89.9 | Confident | 84.3 | Confident | 75 Ų | 75 | 103.1 Ų | 103.1 | 46% | 0.46 | 54% | 0.539 | S | S | . | . | H | α-helix | trans | -64.3 | -39.8 | 177.1 | -56.7 | 0 | 0 | 0 | 0 | 111.6 | E159 V161 L165 V166 L167 | E159-T163 VanDerWaalsContact O-CB 3.29Å; E159-T163 WeakPolarHBondContact O-CB 3.1Å; E159-T163 PolarHBondContact O-N 3Å; E159-T163 PolarHBondContact O-OG1 3.44Å; V161-T163 PolarHBondContact O-N 2.71Å; T163-L165 VanDerWaalsContact C-N 3.33Å; T163-L165 PolarHBondContact O-N 2.84Å; T163-V166 WeakPolarHBondContact O-CB 3.3Å; T163-V166 PolarHBondContact O-N 3.1Å; T163-L167 HydrophobicContact CG2-CD1 4.48Å; T163-L167 WeakPolarHBondContact O-CG 3.45Å; T163-L167 PolarHBondContact O-N 3.23Å |
| 164 | S | 91.8 | Very high | 85.7 | Confident | 76 Ų | 76 | 102.5 Ų | 102.5 | 53% | 0.531 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -60.6 | -43.6 | 175 | -62.1 | 0 | 0 | 0 | 0 | 111.3 | E160 V161 L162 L167 E168 | E160-S164 WeakPolarHBondContact O-CB 3.44Å; E160-S164 PolarHBondContact O-N 3.26Å; E160-S164 PolarHBondContact O-OG 3.3Å; V161-S164 WeakPolarHBondContact O-CB 3.2Å; V161-S164 PolarHBondContact O-N 3.2Å; L162-S164 VanDerWaalsContact C-N 3.35Å; L162-S164 PolarHBondContact O-N 3.38Å; S164-L167 PolarHBondContact O-N 3.35Å; S164-E168 VanDerWaalsContact O-CB 3.24Å; S164-E168 WeakPolarHBondContact O-CB 3.32Å; S164-E168 PolarHBondContact O-N 3.09Å |
| 165 | L | 92.2 | Very high | 86.8 | Confident | 90 Ų | 90 | 108.9 Ų | 108.9 | 47% | 0.471 | 56% | 0.559 | S | S | . | * | H | α-helix | trans | -64.7 | -38.9 | 175.9 | -69 | 170.7 | 0 | 0 | 0 | 112.3 | V161 L162 T163 L167 E168 L169 | V161-L165 HydrophobicContact CG1-CD1 4.36Å; V161-L165 WeakPolarHBondContact O-CG 3.49Å; V161-L165 PolarHBondContact O-N 3.2Å; L162-L165 PolarHBondContact O-N 2.77Å; T163-L165 VanDerWaalsContact C-N 3.33Å; T163-L165 PolarHBondContact O-N 2.84Å; L165-L167 VanDerWaalsContact C-N 3.35Å; L165-L167 PolarHBondContact O-N 3.19Å; L165-E168 PolarHBondContact O-N 3.18Å; L165-L169 WeakPolarHBondContact O-CB 3.27Å; L165-L169 VanDerWaalsContact O-CG 3.26Å; L165-L169 WeakPolarHBondContact O-CG 3.48Å; L165-L169 PolarHBondContact O-N 3.02Å |
| 166 | V | 91.4 | Very high | 87.7 | Confident | 49 Ų | 49 | 110.4 Ų | 110.4 | 30% | 0.297 | 56% | 0.562 | S | S | . | * | H | α-helix | trans | -59.6 | -44.8 | 175.6 | 164.4 | 0 | 0 | 0 | 0 | 111.5 | L162 T163 G170 L171 D172 | L162-V166 WeakPolarHBondContact O-CG2 3.5Å; L162-V166 PolarHBondContact O-N 3.4Å; T163-V166 WeakPolarHBondContact O-CB 3.3Å; T163-V166 PolarHBondContact O-N 3.1Å; V166-G170 CarbonylContact O-C 3.58Å; V166-G170 PolarHBondContact O-N 3.41Å; V166-G170 VanDerWaalsContact O-N 3.11Å; V166-L171 HydrophobicContact CG1-CB 4.15Å; V166-L171 HydrophobicContact CG2-CD1 4.34Å; V166-L171 PolarHBondContact O-N 3.47Å; V166-D172 HydrophobicContact CG1-CB 4.34Å |
| 167 | L | 90.8 | Very high | 88.4 | Confident | 113 Ų | 113 | 110 Ų | 110 | 59% | 0.592 | 56% | 0.56 | S | S | * | * | H | α-helix | trans | -70.6 | -44.5 | 178.5 | -68.6 | 174.5 | 0 | 0 | 0 | 111.8 | T163 S164 L165 G170 D172 | T163-L167 HydrophobicContact CG2-CD1 4.48Å; T163-L167 WeakPolarHBondContact O-CG 3.45Å; T163-L167 PolarHBondContact O-N 3.23Å; S164-L167 PolarHBondContact O-N 3.35Å; L165-L167 VanDerWaalsContact C-N 3.35Å; L165-L167 PolarHBondContact O-N 3.19Å; L167-G170 PolarHBondContact O-N 3.17Å; L167-G170 VanDerWaalsContact O-N 3.11Å; L167-D172 HydrophobicContact CD2-CB 4.48Å |
| 168 | E | 92.9 | Very high | 88.3 | Confident | 165 Ų | 165 | 110.4 Ų | 110.4 | 77% | 0.771 | 57% | 0.568 | S | S | * | * | H | α-helix | trans | -63.7 | -41.9 | -179.3 | -172 | 65.4 | -151.6 | 0 | 0 | 111.7 | S164 L165 G170 | S164-E168 VanDerWaalsContact O-CB 3.24Å; S164-E168 WeakPolarHBondContact O-CB 3.32Å; S164-E168 PolarHBondContact O-N 3.09Å; L165-E168 PolarHBondContact O-N 3.18Å; E168-G170 VanDerWaalsContact C-N 3.25Å; E168-G170 PolarHBondContact O-N 3.12Å |
| 169 | L | 91.1 | Very high | 88 | Confident | 122 Ų | 122 | 114.4 Ų | 114.4 | 64% | 0.639 | 58% | 0.584 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -81.4 | -4.6 | 176.2 | -63.3 | 173.6 | 0 | 0 | 0 | 112.9 | L165 L171 | L165-L169 WeakPolarHBondContact O-CB 3.27Å; L165-L169 VanDerWaalsContact O-CG 3.26Å; L165-L169 WeakPolarHBondContact O-CG 3.48Å; L165-L169 PolarHBondContact O-N 3.02Å; L169-L171 HydrophobicContact CB-CD1 4.45Å; L169-L171 HydrophobicContact CB-CD2 4.33Å; L169-L171 HydrophobicContact CB-CG 3.92Å; L169-L171 HydrophobicContact CD1-CD1 4.44Å; L169-L171 PolarHBondContact O-N 3.37Å |
| 170 | G | 88.7 | Confident | 87.5 | Confident | 23 Ų | 23 | 114.4 Ų | 114.4 | 24% | 0.237 | 59% | 0.587 | C | S | . | * | T | Hydrogen-bonded Turn | trans | 66.3 | 22.9 | 179.8 | 0 | 0 | 0 | 0 | 0 | 114.4 | V166 L167 E168 D172 R173 | V166-G170 CarbonylContact O-C 3.58Å; V166-G170 PolarHBondContact O-N 3.41Å; V166-G170 VanDerWaalsContact O-N 3.11Å; L167-G170 PolarHBondContact O-N 3.17Å; L167-G170 VanDerWaalsContact O-N 3.11Å; E168-G170 VanDerWaalsContact C-N 3.25Å; E168-G170 PolarHBondContact O-N 3.12Å; G170-D172 PolarHBondContact O-N 3.42Å; G170-R173 PolarHBondContact O-N 3.05Å; G170-R173 VanDerWaalsContact O-N 3.08Å |
| 171 | L | 90.4 | Very high | 86.7 | Confident | 85 Ų | 85 | 116.3 Ų | 116.3 | 45% | 0.445 | 59% | 0.593 | S | S | . | * | G | 310 helix | trans | -63.2 | -26.8 | -178.9 | -59.4 | -179.3 | 0 | 0 | 0 | 112.2 | V166 L169 R173 I174 | V166-L171 HydrophobicContact CG1-CB 4.15Å; V166-L171 HydrophobicContact CG2-CD1 4.34Å; V166-L171 PolarHBondContact O-N 3.47Å; L169-L171 HydrophobicContact CB-CD1 4.45Å; L169-L171 HydrophobicContact CB-CD2 4.33Å; L169-L171 HydrophobicContact CB-CG 3.92Å; L169-L171 HydrophobicContact CD1-CD1 4.44Å; L169-L171 PolarHBondContact O-N 3.37Å; L171-R173 PolarHBondContact O-N 3.01Å; L171-R173 VanDerWaalsContact O-N 3.16Å; L171-I174 HydrophobicContact CD2-CD1 3.56Å; L171-I174 PolarHBondContact O-N 3.44Å |
| 172 | D | 89.1 | Confident | 85.6 | Confident | 122 Ų | 122 | 118.9 Ų | 118.9 | 65% | 0.652 | 60% | 0.604 | S | S | * | * | G | 310 helix | trans | -57.4 | -24.9 | 173.2 | 177.2 | -103.7 | 0 | 0 | 0 | 113.5 | V166 L167 G170 | V166-D172 HydrophobicContact CG1-CB 4.34Å; L167-D172 HydrophobicContact CD2-CB 4.48Å; G170-D172 PolarHBondContact O-N 3.42Å |
| 173 | R | 88.6 | Confident | 84.3 | Confident | 210 Ų | 210 | 117.7 Ų | 117.7 | 79% | 0.792 | 61% | 0.609 | S | S | * | * | G | 310 helix | trans | -96.4 | -5.8 | -176 | -57.1 | 179.9 | 177.3 | -137.9 | -1 | 113.3 | G170 L171 Q175 | G170-R173 PolarHBondContact O-N 3.05Å; G170-R173 VanDerWaalsContact O-N 3.08Å; L171-R173 PolarHBondContact O-N 3.01Å; L171-R173 VanDerWaalsContact O-N 3.16Å; R173-Q175 PolarHBondContact O-N 2.98Å |
| 174 | I | 87.3 | Confident | 82.8 | Confident | 89 Ų | 89 | 122.8 Ų | 122.8 | 46% | 0.456 | 63% | 0.627 | S | S | . | * | | | trans | -78 | 115.7 | -177.9 | -61.7 | -178.3 | 0 | 0 | 0 | 108.4 | L171 E176 | L171-I174 HydrophobicContact CD2-CD1 3.56Å; L171-I174 PolarHBondContact O-N 3.44Å; I174-E176 WeakPolarHBondContact CG2-O 3.36Å |
| 175 | Q | 82.8 | Confident | 81 | Confident | 200 Ų | 200 | 125.5 Ų | 125.5 | 94% | 0.935 | 64% | 0.636 | S | S | * | * | S | Bend | trans | -86.2 | -23.7 | -179 | -72.1 | 170.2 | 85.2 | 0 | 0 | 112.9 | R173 | R173-Q175 PolarHBondContact O-N 2.98Š|
| 176 | E | 82.6 | Confident | 79.1 | Confident | 170 Ų | 170 | 129.6 Ų | 129.6 | 79% | 0.794 | 65% | 0.653 | S | S | * | * | S | Bend | trans | -142.1 | 128.9 | -179.7 | -169.5 | 175.6 | 117.3 | 0 | 0 | 109.8 | I174 | I174-E176 WeakPolarHBondContact CG2-O 3.36Š|
| 177 | L | 82.6 | Confident | 77.2 | Confident | 141 Ų | 141 | 133.7 Ų | 133.7 | 74% | 0.738 | 67% | 0.666 | S | S | * | * | | | trans | -83.6 | 128.2 | 178.7 | -167.9 | 76.2 | 0 | 0 | 0 | 109.2 | | |
| 178 | P | 78.9 | Confident | 75.4 | Confident | 86 Ų | 86 | 134.2 Ų | 134.2 | 56% | 0.558 | 67% | 0.67 | S | S | * | * | | | trans | -63.2 | 143.8 | 177.4 | 25.9 | -33.6 | 0 | 0 | 0 | 111.4 | L180 | P178-L180 PolarHBondContact O-N 3.47Š|
| 179 | E | 80.9 | Confident | 73.4 | Confident | 169 Ų | 169 | 136.1 Ų | 136.1 | 79% | 0.79 | 68% | 0.676 | S | S | * | * | | | trans | -68.1 | 115.6 | 173.4 | -67.5 | -175.6 | 113.9 | 0 | 0 | 110 | F181 | E179-F181 HydrophobicContact CB-CE2 4.43Š|
| 180 | L | 75.6 | Confident | 71.6 | Confident | 122 Ų | 122 | 134.4 Ų | 134.4 | 64% | 0.639 | 67% | 0.667 | S | S | * | * | | | trans | -102.9 | 117.2 | 177 | -62 | 176.3 | 0 | 0 | 0 | 109.6 | P178 L182 | P178-L180 PolarHBondContact O-N 3.47Å; L180-L182 PolarHBondContact O-N 3.38Å |
| 181 | F | 71.2 | Confident | 69.8 | Low | 187 Ų | 187 | 135.3 Ų | 135.3 | 82% | 0.82 | 67% | 0.669 | S | S | * | * | | | trans | -88 | 93.7 | 170.4 | -64 | -84.6 | 0 | 0 | 0 | 109.2 | E179 G183 | E179-F181 HydrophobicContact CB-CE2 4.43Å; F181-G183 PolarHBondContact O-N 2.97Å |
| 182 | L | 67.2 | Low | 68 | Low | 132 Ų | 132 | 136.5 Ų | 136.5 | 69% | 0.691 | 68% | 0.676 | S | S | * | * | | | trans | -75.5 | 81.4 | 172 | -71.2 | 151 | 0 | 0 | 0 | 108.5 | L147 L180 | L147-L182 HydrophobicContact CD2-CD1 4.3Å; L180-L182 PolarHBondContact O-N 3.38Å |
| 183 | G | 64.5 | Low | 66.1 | Low | 46 Ų | 46 | 139.6 Ų | 139.6 | 47% | 0.474 | 68% | 0.684 | S | S | . | * | | | trans | -62.3 | 139.8 | 169.1 | 0 | 0 | 0 | 0 | 0 | 109.4 | F181 N185 E186 | F181-G183 PolarHBondContact O-N 2.97Å; G183-N185 CarbonylContact O-C 3.11Å; G183-N185 PolarHBondContact O-N 3.3Å; G183-E186 PolarHBondContact O-N 2.85Å |
| 184 | Q | 57.7 | Low | 64.4 | Low | 182 Ų | 182 | 134 Ų | 134 | 85% | 0.85 | 67% | 0.673 | S | S | * | * | S | Bend | trans | -56.1 | -0.7 | 176.5 | -67.5 | -75 | 14.2 | 0 | 0 | 114.8 | | |
| 185 | N | 53.7 | Low | 62.6 | Low | 132 Ų | 132 | 133.7 Ų | 133.7 | 71% | 0.706 | 68% | 0.679 | S | S | * | * | S | Bend | trans | -95.4 | 90.5 | 157.4 | -65.4 | -74.3 | 0 | 0 | 0 | 106.9 | G183 F187 D188 | G183-N185 CarbonylContact O-C 3.11Å; G183-N185 PolarHBondContact O-N 3.3Å; N185-F187 PolarHBondContact O-N 3.39Å; N185-D188 PolarHBondContact O-N 3.45Å |
| 186 | E | 53 | Low | 61.2 | Low | 177 Ų | 177 | 132.4 Ų | 132.4 | 83% | 0.827 | 67% | 0.67 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -61 | 22.8 | 177 | -66.1 | 176.7 | 92.5 | 0 | 0 | 113.9 | G183 | G183-E186 PolarHBondContact O-N 2.85Š|
| 187 | F | 51.6 | Low | 59.7 | Low | 134 Ų | 134 | 132.3 Ų | 132.3 | 59% | 0.588 | 67% | 0.67 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -136.2 | 7.4 | -172.9 | -103.9 | -105.6 | 0 | 0 | 0 | 114.5 | N185 F189 I190 S191 | N185-F187 PolarHBondContact O-N 3.39Å; F187-F189 PolarHBondContact O-N 2.93Å; F187-F189 VanDerWaalsContact O-N 3.12Å; F187-I190 HydrophobicContact CD1-CB 3.77Å; F187-I190 HydrophobicContact CD1-CD1 3.31Å; F187-I190 HydrophobicContact CD1-CG1 3.97Å; F187-I190 HydrophobicContact CD1-CG2 4.18Å; F187-I190 HydrophobicContact CD2-CD1 4.49Å; F187-I190 HydrophobicContact CE1-CB 4.25Å; F187-I190 HydrophobicContact CE1-CD1 3.1Å; F187-I190 HydrophobicContact CE1-CG1 4.18Å; F187-I190 HydrophobicContact CE1-CG2 4.31Å; F187-I190 HydrophobicContact CE2-CD1 4.33Å; F187-I190 HydrophobicContact CG-CD1 4.02Å; F187-I190 HydrophobicContact CZ-CD1 3.66Å; F187-I190 PolarHBondContact O-N 3.48Å; F187-S191 PolarHBondContact O-N 3.23Å; F187-S191 VanDerWaalsContact O-N 3.13Å; F187-S191 PolarHBondContact O-OG 2.79Å |
| 188 | D | 52.7 | Low | 57.7 | Low | 124 Ų | 124 | 132.9 Ų | 132.9 | 66% | 0.663 | 67% | 0.668 | S | S | * | * | H | α-helix | trans | -73.5 | -2.2 | -179.1 | -139.6 | 23.8 | 0 | 0 | 0 | 114.1 | N185 S191 | N185-D188 PolarHBondContact O-N 3.45Å; D188-S191 WeakPolarHBondContact OD1-CB 3.22Å; D188-S191 PolarHBondContact OD1-OG 2.71Å |
| 189 | F | 50.9 | Low | 56 | Low | 206 Ų | 206 | 134.1 Ų | 134.1 | 90% | 0.904 | 68% | 0.677 | S | S | * | * | H | α-helix | trans | -77.3 | -22.7 | 163.6 | -122.6 | -85.9 | 0 | 0 | 0 | 112.8 | F187 | F187-F189 PolarHBondContact O-N 2.93Å; F187-F189 VanDerWaalsContact O-N 3.12Å |
| 190 | I | 53.4 | Low | 54.3 | Low | 86 Ų | 86 | 131 Ų | 131 | 44% | 0.441 | 67% | 0.673 | S | S | . | * | H | α-helix | trans | -99.1 | -24.9 | -176.7 | -54 | 172.9 | 0 | 0 | 0 | 110 | F187 D192 F193 | F187-I190 HydrophobicContact CD1-CB 3.77Å; F187-I190 HydrophobicContact CD1-CD1 3.31Å; F187-I190 HydrophobicContact CD1-CG1 3.97Å; F187-I190 HydrophobicContact CD1-CG2 4.18Å; F187-I190 HydrophobicContact CD2-CD1 4.49Å; F187-I190 HydrophobicContact CE1-CB 4.25Å; F187-I190 HydrophobicContact CE1-CD1 3.1Å; F187-I190 HydrophobicContact CE1-CG1 4.18Å; F187-I190 HydrophobicContact CE1-CG2 4.31Å; F187-I190 HydrophobicContact CE2-CD1 4.33Å; F187-I190 HydrophobicContact CG-CD1 4.02Å; F187-I190 HydrophobicContact CZ-CD1 3.66Å; F187-I190 PolarHBondContact O-N 3.48Å; I190-D192 PolarHBondContact O-N 3Å; I190-F193 PolarHBondContact O-N 2.81Å |
| 191 | S | 51.2 | Low | 52.8 | Low | 41 Ų | 41 | 129.8 Ų | 129.8 | 29% | 0.287 | 68% | 0.681 | S | S | . | * | H | α-helix | trans | -64.7 | -32.7 | 178.4 | -69 | 0 | 0 | 0 | 0 | 114.5 | F187 D188 F193 V194 S195 | F187-S191 PolarHBondContact O-N 3.23Å; F187-S191 VanDerWaalsContact O-N 3.13Å; F187-S191 PolarHBondContact O-OG 2.79Å; D188-S191 WeakPolarHBondContact OD1-CB 3.22Å; D188-S191 PolarHBondContact OD1-OG 2.71Å; S191-F193 PolarHBondContact O-N 3.49Å; S191-V194 PolarHBondContact O-N 3.34Å; S191-S195 VanDerWaalsContact O-CB 3.23Å; S191-S195 WeakPolarHBondContact O-CB 3.15Å; S191-S195 PolarHBondContact O-N 3.28Å; S191-S195 PolarHBondContact O-OG 3.22Å |
| 192 | D | 52.6 | Low | 51.7 | Low | 111 Ų | 111 | 128.2 Ų | 128.2 | 59% | 0.594 | 68% | 0.68 | S | S | * | * | H | α-helix | trans | -63.4 | -28.8 | 177.5 | -169 | 54 | 0 | 0 | 0 | 111.8 | I190 | I190-D192 PolarHBondContact O-N 3Å |
| 193 | F | 50.1 | Low | 50.4 | Low | 187 Ų | 187 | 127.7 Ų | 127.7 | 82% | 0.82 | 69% | 0.687 | S | S | * | * | H | α-helix | trans | -74.8 | -32.4 | 176.9 | -156.8 | -97.3 | 0 | 0 | 0 | 113 | I190 S191 | I190-F193 PolarHBondContact O-N 2.81Å; S191-F193 PolarHBondContact O-N 3.49Å |
| 194 | V | 51.6 | Low | 49.5 | Very low | 93 Ų | 93 | 134.3 Ų | 134.3 | 56% | 0.564 | 72% | 0.724 | S | S | * | * | H | α-helix | trans | -90.7 | -27.3 | -179.8 | -178.9 | 0 | 0 | 0 | 0 | 112.4 | S191 K196 Q197 | S191-V194 PolarHBondContact O-N 3.34Å; V194-K196 PolarHBondContact O-N 2.88Å; V194-Q197 PolarHBondContact O-N 3.16Å |
| 195 | S | 50.9 | Low | 49.1 | Very low | 82 Ų | 82 | 132 Ų | 132 | 57% | 0.573 | 72% | 0.718 | S | S | * | * | H | α-helix | trans | -66 | -22.3 | -178.7 | -61.7 | 0 | 0 | 0 | 0 | 113.1 | S191 Q197 | S191-S195 VanDerWaalsContact O-CB 3.23Å; S191-S195 WeakPolarHBondContact O-CB 3.15Å; S191-S195 PolarHBondContact O-N 3.28Å; S191-S195 PolarHBondContact O-OG 3.22Å; S195-Q197 VanDerWaalsContact C-N 3.3Å |
| 196 | K | 52.3 | Low | 48.9 | Very low | 172 Ų | 172 | 131.9 Ų | 131.9 | 75% | 0.748 | 72% | 0.718 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -82.6 | 0 | 173 | -65.6 | -163.7 | -179.7 | 178.8 | 0 | 114.5 | V194 | V194-K196 PolarHBondContact O-N 2.88Š|
| 197 | Q | 50.8 | Low | 48.6 | Very low | 168 Ų | 168 | 129.4 Ų | 129.4 | 79% | 0.785 | 71% | 0.712 | S | S | * | * | | | trans | -99.5 | 41.7 | 174.1 | -151.8 | -179.1 | 98.2 | 0 | 0 | 112 | V194 S195 P199 | V194-Q197 PolarHBondContact O-N 3.16Å; S195-Q197 VanDerWaalsContact C-N 3.3Å; Q197-P199 VanDerWaalsContact O-CD 3.28Å; Q197-P199 WeakPolarHBondContact O-CD 3.08Å |
| 198 | Q | 40.6 | Very low | 48.5 | Very low | 153 Ų | 153 | 129.2 Ų | 129.2 | 72% | 0.715 | 72% | 0.72 | S | S | * | * | | | trans | -70.6 | 115.1 | 155.3 | -97 | -84.7 | -17.4 | 0 | 0 | 107.2 | S200 | Q198-S200 PolarHBondContact O-N 3.15Š|
| 199 | P | 42.9 | Very low | 48.2 | Very low | 113 Ų | 113 | 129.5 Ų | 129.5 | 73% | 0.734 | 72% | 0.723 | S | S | * | * | | | trans | -68.6 | 93.6 | 168.9 | 21.6 | -15.3 | 0 | 0 | 0 | 106.6 | Q197 A201 | Q197-P199 VanDerWaalsContact O-CD 3.28Å; Q197-P199 WeakPolarHBondContact O-CD 3.08Å; P199-A201 VanDerWaalsContact C-N 3.31Å; P199-A201 PolarHBondContact O-N 3.32Å |
| 200 | S | 44.9 | Very low | 48 | Very low | 103 Ų | 103 | 124.4 Ų | 124.4 | 72% | 0.72 | 71% | 0.711 | S | S | * | * | | | trans | -58.1 | 105.1 | 159.7 | -70.4 | 0 | 0 | 0 | 0 | 105.9 | Q198 I202 | Q198-S200 PolarHBondContact O-N 3.15Å; S200-I202 PolarHBondContact O-N 3.45Å |
| 201 | A | 45 | Very low | 47.6 | Very low | 97 Ų | 97 | 127.1 Ų | 127.1 | 80% | 0.802 | 73% | 0.73 | S | S | * | * | | | trans | -52.3 | 109.8 | 168.1 | 0 | 0 | 0 | 0 | 0 | 107.1 | P199 S203 | P199-A201 VanDerWaalsContact C-N 3.31Å; P199-A201 PolarHBondContact O-N 3.32Å; A201-S203 PolarHBondContact O-N 3.01Å; A201-S203 VanDerWaalsContact O-N 3.08Å |
| 202 | I | 47.2 | Very low | 47.4 | Very low | 154 Ų | 154 | 133.8 Ų | 133.8 | 79% | 0.79 | 77% | 0.765 | S | S | * | * | | | trans | -71.7 | 101.9 | 174.2 | -38.3 | 167.3 | 0 | 0 | 0 | 104.7 | S200 C204 | S200-I202 PolarHBondContact O-N 3.45Å; I202-C204 PolarHBondContact O-N 3.19Å |
| 203 | S | 40.8 | Very low | 46.9 | Very low | 120 Ų | 120 | 135.7 Ų | 135.7 | 84% | 0.839 | 78% | 0.779 | S | S | * | * | | | trans | -77.7 | 106.6 | 167.1 | -175.1 | 0 | 0 | 0 | 0 | 107.3 | A201 | A201-S203 PolarHBondContact O-N 3.01Å; A201-S203 VanDerWaalsContact O-N 3.08Å |
| 204 | C | 45.9 | Very low | 46.6 | Very low | 186 Ų | 186 | 131 Ų | 131 | 100% | 1.257 | 78% | 0.775 | S | S | * | * | | | trans | -116 | 0 | 161.1 | -71 | 0 | 0 | 0 | 0 | 108.4 | I202 | I202-C204 PolarHBondContact O-N 3.19Š|