| 1 | M | 52.8 | Low | 43.9 | Very low | 240 Ų | 240 | 163.3 Ų | 163.3 | 100% | 1.182 | 87% | 0.866 | S | S | * | * | | | | 0 | 113.3 | 0 | -67.6 | -155.7 | 91.5 | 0 | 0 | 108.7 | | |
| 2 | L | 42.1 | Very low | 43.1 | Very low | 172 Ų | 172 | 155.8 Ų | 155.8 | 90% | 0.901 | 86% | 0.857 | S | S | * | * | | | trans | -151.2 | 149.4 | 156.5 | -88.5 | 174.3 | 0 | 0 | 0 | 106.6 | | |
| 3 | P | 53.1 | Low | 43.2 | Very low | 113 Ų | 113 | 154.3 Ų | 154.3 | 73% | 0.734 | 86% | 0.859 | S | S | * | * | P | Polyproline II helix | trans | -86.1 | 153.8 | -158 | 33.8 | -35.5 | 0 | 0 | 0 | 114.2 | | |
| 4 | W | 40.5 | Very low | 42.7 | Very low | 255 Ų | 255 | 157.3 Ų | 157.3 | 97% | 0.966 | 86% | 0.863 | S | S | * | * | P | Polyproline II helix | trans | -55.1 | 138.9 | 177 | -92.2 | 28.8 | 0 | 0 | 0 | 114 | | |
| 5 | S | 48.6 | Very low | 42.3 | Very low | 109 Ų | 109 | 159 Ų | 159 | 76% | 0.762 | 86% | 0.863 | S | S | * | * | P | Polyproline II helix | trans | -86.7 | 146.2 | 170.3 | -54 | 0 | 0 | 0 | 0 | 111.7 | | |
| 6 | P | 51.8 | Low | 42.1 | Very low | 118 Ų | 118 | 154.9 Ų | 154.9 | 77% | 0.766 | 86% | 0.857 | S | S | * | * | P | Polyproline II helix | trans | -77.1 | 158.5 | 174.8 | 30.5 | -32.4 | 0 | 0 | 0 | 112.9 | | |
| 7 | P | 49.1 | Very low | 41.9 | Very low | 123 Ų | 123 | 152.4 Ų | 152.4 | 80% | 0.799 | 85% | 0.85 | S | S | * | * | P | Polyproline II helix | trans | -68.6 | 134.2 | -175.9 | -15.6 | 29.5 | 0 | 0 | 0 | 113.2 | W9 | P7-W9 PolarHBondContact O-N 3.46Š|
| 8 | R | 37.6 | Very low | 41.5 | Very low | 243 Ų | 243 | 154.7 Ų | 154.7 | 92% | 0.917 | 85% | 0.853 | S | S | * | * | | | trans | -75.9 | 108.6 | 178.5 | -173 | -173.2 | -135.9 | -141.2 | 3.2 | 110.5 | | |
| 9 | W | 39.8 | Very low | 40.8 | Very low | 253 Ų | 253 | 150.3 Ų | 150.3 | 96% | 0.958 | 85% | 0.846 | S | S | * | * | | | trans | -85.5 | 113.3 | 160.3 | -82 | 97.6 | 0 | 0 | 0 | 108.8 | P7 | P7-W9 PolarHBondContact O-N 3.46Š|
| 10 | G | 32.8 | Very low | 40.6 | Very low | 68 Ų | 68 | 149.8 Ų | 149.8 | 70% | 0.701 | 85% | 0.85 | S | S | * | * | | | trans | -95.1 | 128.8 | 172.7 | 0 | 0 | 0 | 0 | 0 | 110.9 | | |
| 11 | A | 34.8 | Very low | 40 | Very low | 102 Ų | 102 | 146.4 Ų | 146.4 | 84% | 0.843 | 85% | 0.848 | S | S | * | * | | | trans | -162.3 | 105.3 | 146 | 0 | 0 | 0 | 0 | 0 | 105.9 | | |
| 12 | G | 34.5 | Very low | 39.3 | Very low | 73 Ų | 73 | 142.9 Ų | 142.9 | 75% | 0.753 | 83% | 0.833 | S | S | * | * | | | trans | -76.7 | 168.3 | -177.7 | 0 | 0 | 0 | 0 | 0 | 113.1 | | |
| 13 | P | 43.7 | Very low | 39.5 | Very low | 137 Ų | 137 | 140.4 Ų | 140.4 | 89% | 0.89 | 83% | 0.827 | S | S | * | * | | | trans | -84.7 | 133.3 | 165.8 | 33.5 | -29.3 | 0 | 0 | 0 | 110.1 | | |
| 14 | E | 37.2 | Very low | 38.5 | Very low | 196 Ų | 196 | 139.9 Ų | 139.9 | 92% | 0.916 | 83% | 0.832 | S | S | * | * | | | trans | -138.9 | 154.1 | 166.2 | -158.7 | 171.7 | 112 | 0 | 0 | 110.6 | | |
| 15 | E | 35.5 | Very low | 37.9 | Very low | 183 Ų | 183 | 131.5 Ų | 131.5 | 86% | 0.855 | 83% | 0.825 | S | S | * | * | | | trans | -80.6 | 167.6 | -147.3 | -62 | 179.1 | 127 | 0 | 0 | 115.8 | | |
| 16 | A | 38.9 | Very low | 37.1 | Very low | 93 Ų | 93 | 135.6 Ų | 135.6 | 77% | 0.769 | 83% | 0.829 | S | S | * | * | | | trans | -71.7 | 161.7 | 166.5 | 0 | 0 | 0 | 0 | 0 | 112.3 | | |
| 17 | P | 39.9 | Very low | 36.2 | Very low | 113 Ų | 113 | 135.7 Ų | 135.7 | 73% | 0.734 | 82% | 0.823 | S | S | * | * | | | | -140.5 | 149.4 | 125.6 | 32.2 | -16 | 0 | 0 | 0 | 115.4 | | |
| 18 | E | 33.5 | Very low | 35.7 | Very low | 193 Ų | 193 | 138.7 Ų | 138.7 | 90% | 0.902 | 83% | 0.826 | S | S | * | * | | | trans | 38.4 | 135.3 | 145.8 | -68.6 | 179.6 | 112.6 | 0 | 0 | 122.6 | | |
| 19 | G | 28.3 | Very low | 35.5 | Very low | 71 Ų | 71 | 130.7 Ų | 130.7 | 73% | 0.732 | 82% | 0.82 | S | S | * | * | | | trans | -70.1 | -166.3 | 172.4 | 0 | 0 | 0 | 0 | 0 | 114.4 | | |
| 20 | P | 36.8 | Very low | 35.5 | Very low | 141 Ų | 141 | 128 Ų | 128 | 92% | 0.916 | 82% | 0.817 | S | S | * | * | | | cis | -143.1 | 167.1 | 48.1 | 36.1 | -15.8 | 0 | 0 | 0 | 116.6 | | |
| 21 | G | 28.8 | Very low | 36 | Very low | 78 Ų | 78 | 129.1 Ų | 129.1 | 80% | 0.804 | 81% | 0.813 | S | S | * | * | | | trans | 145.5 | 98.2 | 154.7 | 0 | 0 | 0 | 0 | 0 | 116.3 | | |
| 22 | L | 37.9 | Very low | 36.1 | Very low | 166 Ų | 166 | 136.2 Ų | 136.2 | 87% | 0.869 | 82% | 0.818 | S | S | * | * | | | trans | -85.7 | 156.9 | 156.6 | -77.9 | 167.8 | 0 | 0 | 0 | 109.4 | | |
| 23 | P | 45.9 | Very low | 36.4 | Very low | 121 Ų | 121 | 138.7 Ų | 138.7 | 79% | 0.786 | 82% | 0.823 | S | S | * | * | | | | -143.7 | 143.9 | 95.9 | 33.5 | -15.9 | 0 | 0 | 0 | 116.2 | | |
| 24 | A | 31.8 | Very low | 35.9 | Very low | 102 Ų | 102 | 137.4 Ų | 137.4 | 84% | 0.843 | 82% | 0.824 | S | S | * | * | | | trans | 32.2 | 130.2 | 135 | 0 | 0 | 0 | 0 | 0 | 122.1 | | |
| 25 | G | 29.1 | Very low | 35.6 | Very low | 78 Ų | 78 | 131.6 Ų | 131.6 | 80% | 0.804 | 82% | 0.817 | S | S | * | * | | | trans | 175.4 | 104 | 151.9 | 0 | 0 | 0 | 0 | 0 | 114.6 | | |
| 26 | K | 31.1 | Very low | 35.6 | Very low | 195 Ų | 195 | 127.6 Ų | 127.6 | 85% | 0.848 | 82% | 0.816 | S | S | * | * | | | trans | -55.2 | 161.3 | 162.2 | -72.8 | 173.1 | 161.7 | -172.9 | 0 | 111 | | |
| 27 | D | 32.6 | Very low | 35.4 | Very low | 121 Ų | 121 | 131.2 Ų | 131.2 | 65% | 0.647 | 82% | 0.822 | S | S | * | * | | | cis | -168.9 | 139.1 | 48.9 | -116.3 | -36.6 | 0 | 0 | 0 | 107.2 | | |
| 28 | Q | 39.9 | Very low | 35.2 | Very low | 186 Ų | 186 | 129.9 Ų | 129.9 | 87% | 0.869 | 82% | 0.821 | S | S | * | * | | | | 43.5 | 126.8 | 100 | -60.4 | -164.3 | 97.4 | 0 | 0 | 118.3 | | |
| 29 | G | 32.3 | Very low | 35.3 | Very low | 75 Ų | 75 | 126.7 Ų | 126.7 | 77% | 0.773 | 82% | 0.817 | S | S | * | * | | | trans | 171.4 | 69.8 | 165.3 | 0 | 0 | 0 | 0 | 0 | 114.7 | | |
| 30 | E | 40.6 | Very low | 35.4 | Very low | 195 Ų | 195 | 134.6 Ų | 134.6 | 91% | 0.911 | 82% | 0.824 | S | S | * | * | | | trans | -75.3 | 142 | 145.7 | -80.8 | -179.4 | 110.9 | 0 | 0 | 108.5 | | |
| 31 | P | 43.7 | Very low | 35.5 | Very low | 93 Ų | 93 | 136.6 Ų | 136.6 | 60% | 0.604 | 82% | 0.822 | S | S | * | * | | | trans | -142.7 | 124.8 | 136.2 | 25.5 | -5 | 0 | 0 | 0 | 114.7 | | |
| 32 | W | 35.3 | Very low | 35.7 | Very low | 251 Ų | 251 | 140.8 Ų | 140.8 | 95% | 0.951 | 83% | 0.825 | S | S | * | * | | | | 79.9 | 115.1 | 126.4 | -52.5 | -25.6 | 0 | 0 | 0 | 121.8 | | |
| 33 | S | 40.9 | Very low | 35.2 | Very low | 124 Ų | 124 | 136.2 Ų | 136.2 | 87% | 0.867 | 82% | 0.817 | S | S | * | * | | | trans | -66.6 | 139.4 | 150.9 | -46.2 | 0 | 0 | 0 | 0 | 112.9 | | |
| 34 | A | 34.8 | Very low | 35.1 | Very low | 110 Ų | 110 | 137.1 Ų | 137.1 | 91% | 0.909 | 82% | 0.821 | S | S | * | * | | | trans | -170.4 | 137.6 | 152.1 | 0 | 0 | 0 | 0 | 0 | 106.1 | | |
| 35 | G | 30.8 | Very low | 35.5 | Very low | 75 Ų | 75 | 137.7 Ų | 137.7 | 77% | 0.773 | 82% | 0.816 | S | S | * | * | | | cis | -177.7 | 165.7 | 5.2 | 0 | 0 | 0 | 0 | 0 | 105.5 | | |
| 36 | A | 35.1 | Very low | 35.8 | Very low | 99 Ų | 99 | 139.5 Ų | 139.5 | 82% | 0.818 | 81% | 0.814 | S | S | * | * | | | trans | -57.4 | 146 | -167.4 | 0 | 0 | 0 | 0 | 0 | 116.1 | | |
| 37 | D | 34.1 | Very low | 35.9 | Very low | 169 Ų | 169 | 141.8 Ų | 141.8 | 90% | 0.904 | 82% | 0.817 | S | S | * | * | | | trans | -151.4 | 134.4 | 132.1 | -115.1 | -31.4 | 0 | 0 | 0 | 111.2 | | |
| 38 | A | 35.7 | Very low | 35.7 | Very low | 85 Ų | 85 | 143.3 Ų | 143.3 | 70% | 0.702 | 83% | 0.825 | S | S | * | * | | | trans | -76.6 | 151.7 | -166.7 | 0 | 0 | 0 | 0 | 0 | 113.7 | R40 | A38-R40 PolarHBondContact O-N 3.11Š|
| 39 | P | 35.6 | Very low | 35.7 | Very low | 126 Ų | 126 | 139.2 Ų | 139.2 | 82% | 0.818 | 82% | 0.817 | S | S | * | * | | | trans | -78.3 | 112.5 | 159.8 | 29.9 | -27.5 | 0 | 0 | 0 | 109.1 | E41 | P39-E41 PolarHBondContact O-N 3.21Š|
| 40 | R | 31.4 | Very low | 36.2 | Very low | 236 Ų | 236 | 141.6 Ų | 141.6 | 89% | 0.891 | 82% | 0.819 | S | S | * | * | | | trans | -57.9 | 115.5 | 161.9 | -102.9 | -178.4 | 174.9 | -179.4 | -1.1 | 108.8 | A38 | A38-R40 PolarHBondContact O-N 3.11Š|
| 41 | E | 38.8 | Very low | 36.3 | Very low | 184 Ų | 184 | 140.9 Ų | 140.9 | 86% | 0.86 | 82% | 0.815 | S | S | * | * | | | trans | -63.6 | 130.8 | 150.5 | -83.9 | -164.8 | 127.4 | 0 | 0 | 109.1 | P39 | P39-E41 PolarHBondContact O-N 3.21Š|
| 42 | L | 31.8 | Very low | 36.1 | Very low | 166 Ų | 166 | 141.8 Ų | 141.8 | 87% | 0.869 | 82% | 0.821 | S | S | * | * | | | trans | -168.2 | 113.6 | 153.3 | -113.7 | 149 | 0 | 0 | 0 | 109.8 | | |
| 43 | G | 29.1 | Very low | 36.4 | Very low | 69 Ų | 69 | 135.9 Ų | 135.9 | 71% | 0.711 | 82% | 0.815 | S | S | * | * | | | trans | 120.3 | 73.4 | 150.9 | 0 | 0 | 0 | 0 | 0 | 116.9 | | |
| 44 | T | 43.4 | Very low | 36.2 | Very low | 141 Ų | 141 | 135 Ų | 135 | 87% | 0.865 | 81% | 0.809 | S | S | * | * | P | Polyproline II helix | trans | -60.2 | 139.1 | 143.6 | 33 | 0 | 0 | 0 | 0 | 110.4 | | |
| 45 | P | 40.1 | Very low | 36.4 | Very low | 114 Ų | 114 | 141.2 Ų | 141.2 | 74% | 0.74 | 81% | 0.809 | S | S | * | * | P | Polyproline II helix | trans | -99.2 | 154 | 149.7 | 32.5 | -24.1 | 0 | 0 | 0 | 111.5 | | |
| 46 | P | 34.2 | Very low | 36.8 | Very low | 116 Ų | 116 | 142.2 Ų | 142.2 | 75% | 0.753 | 81% | 0.805 | S | S | * | * | P | Polyproline II helix | trans | -87.3 | 152.7 | -156.3 | 34.9 | -34.7 | 0 | 0 | 0 | 113.2 | D48 | P46-D48 PolarHBondContact O-N 3.1Š|
| 47 | W | 33.9 | Very low | 37.1 | Very low | 242 Ų | 242 | 143.1 Ų | 143.1 | 92% | 0.917 | 80% | 0.802 | S | S | * | * | P | Polyproline II helix | trans | -69.9 | 118.9 | 165 | -136.4 | -92.5 | 0 | 0 | 0 | 108.9 | | |
| 48 | D | 28.6 | Very low | 37.6 | Very low | 153 Ų | 153 | 139.6 Ų | 139.6 | 82% | 0.818 | 79% | 0.79 | S | S | * | * | | | trans | -144.4 | 128 | 156.9 | -89.6 | -40.9 | 0 | 0 | 0 | 110.1 | P46 | P46-D48 PolarHBondContact O-N 3.1Š|
| 49 | S | 39.8 | Very low | 37.7 | Very low | 100 Ų | 100 | 146.9 Ų | 146.9 | 70% | 0.699 | 80% | 0.8 | S | S | * | * | | | trans | -73.7 | 177.7 | -173.8 | -66.2 | 0 | 0 | 0 | 0 | 112.5 | | |
| 50 | P | 42.4 | Very low | 38.2 | Very low | 125 Ų | 125 | 147.1 Ų | 147.1 | 81% | 0.812 | 79% | 0.793 | S | S | * | * | | | cis | -140.4 | 175.1 | 20.9 | 36.2 | -12 | 0 | 0 | 0 | 117.1 | | |
| 51 | Q | 43 | Very low | 38.2 | Very low | 180 Ų | 180 | 144.6 Ų | 144.6 | 84% | 0.841 | 78% | 0.784 | S | S | * | * | | | trans | -32.5 | 149.4 | -178.5 | -65.3 | -179.6 | -31.5 | 0 | 0 | 119.6 | | |
| 52 | P | 39 | Very low | 38.4 | Very low | 112 Ų | 112 | 146.7 Ų | 146.7 | 73% | 0.727 | 78% | 0.784 | S | S | * | * | | | trans | -91 | 136.7 | 144.7 | 32.6 | -26.6 | 0 | 0 | 0 | 111.2 | S54 | P52-S54 PolarHBondContact O-N 2.96Š|
| 53 | P | 42.8 | Very low | 39 | Very low | 127 Ų | 127 | 146.6 Ų | 146.6 | 83% | 0.825 | 78% | 0.779 | S | S | * | * | | | trans | -77.9 | 106.6 | 166.4 | 31.2 | -28.1 | 0 | 0 | 0 | 108.6 | | |
| 54 | S | 36 | Very low | 39.8 | Very low | 106 Ų | 106 | 149.9 Ų | 149.9 | 74% | 0.741 | 78% | 0.776 | S | S | * | * | | | trans | -112.3 | 55.1 | 164.2 | 68.1 | 0 | 0 | 0 | 0 | 110.9 | P52 S56 | P52-S54 PolarHBondContact O-N 2.96Å; S54-S56 VanDerWaalsContact C-N 3.27Å; S54-S56 PolarHBondContact O-N 3.21Å |
| 55 | R | 39.3 | Very low | 39.9 | Very low | 240 Ų | 240 | 149.5 Ų | 149.5 | 91% | 0.906 | 77% | 0.768 | S | S | * | * | | | trans | -73.3 | 89.9 | 156.1 | -83 | -173 | 172.2 | -163.5 | -1.2 | 107.7 | P57 | R55-P57 VanDerWaalsContact O-CD 3.31Å; R55-P57 WeakPolarHBondContact O-CD 3.39Å |
| 56 | S | 37.8 | Very low | 40.2 | Very low | 97 Ų | 97 | 151.3 Ų | 151.3 | 68% | 0.678 | 77% | 0.77 | S | S | * | * | | | trans | -77.3 | 117.1 | 153.6 | -82.8 | 0 | 0 | 0 | 0 | 108.4 | S54 S58 | S54-S56 VanDerWaalsContact C-N 3.27Å; S54-S56 PolarHBondContact O-N 3.21Å; S56-S58 PolarHBondContact O-N 3.46Å |
| 57 | P | 41.9 | Very low | 40.6 | Very low | 118 Ų | 118 | 152.1 Ų | 152.1 | 77% | 0.766 | 77% | 0.767 | S | S | * | * | | | trans | -88.7 | 67.2 | 162.6 | 35.2 | -27.1 | 0 | 0 | 0 | 108 | R55 | R55-P57 VanDerWaalsContact O-CD 3.31Å; R55-P57 WeakPolarHBondContact O-CD 3.39Å |
| 58 | S | 44.4 | Very low | 41.1 | Very low | 94 Ų | 94 | 146 Ų | 146 | 66% | 0.657 | 76% | 0.759 | S | S | * | * | | | trans | -113.7 | 49.8 | 179.4 | 54.7 | 0 | 0 | 0 | 0 | 111.5 | S56 | S56-S58 PolarHBondContact O-N 3.46Š|
| 59 | W | 38.4 | Very low | 41.4 | Very low | 239 Ų | 239 | 146.9 Ų | 146.9 | 91% | 0.905 | 76% | 0.758 | S | S | * | * | S | Bend | trans | -133.6 | -4.3 | 164.2 | -163 | -100.5 | 0 | 0 | 0 | 113.9 | | |
| 60 | I | 46.8 | Very low | 41.4 | Very low | 130 Ų | 130 | 151.2 Ų | 151.2 | 67% | 0.667 | 77% | 0.767 | S | S | * | * | S | Bend | trans | -119 | 21.7 | -173.8 | -33.9 | 179.2 | 0 | 0 | 0 | 113 | | |
| 61 | W | 31.3 | Very low | 41.2 | Very low | 184 Ų | 184 | 152.6 Ų | 152.6 | 70% | 0.697 | 77% | 0.766 | S | S | * | * | S | Bend | trans | -103.2 | -22 | 177.5 | -170.9 | -101.5 | 0 | 0 | 0 | 114.2 | E63 | W61-E63 PolarHBondContact O-N 3.08Š|
| 62 | R | 42.1 | Very low | 41.2 | Very low | 228 Ų | 228 | 149.6 Ų | 149.6 | 86% | 0.86 | 76% | 0.763 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -79.5 | -14.9 | -176.7 | -92 | -157 | -115 | -104.5 | 3.8 | 115.3 | | |
| 63 | E | 43.8 | Very low | 40.7 | Very low | 164 Ų | 164 | 147.9 Ų | 147.9 | 77% | 0.766 | 77% | 0.765 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -90.3 | -10.4 | -177 | -65.7 | -81.7 | 136.6 | 0 | 0 | 113.2 | W61 | W61-E63 PolarHBondContact O-N 3.08Š|
| 64 | Q | 45.9 | Very low | 40.6 | Very low | 138 Ų | 138 | 148 Ų | 148 | 65% | 0.645 | 77% | 0.766 | S | S | * | * | S | Bend | trans | -98.1 | 0.9 | -177.3 | -72.8 | -170.4 | 58.2 | 0 | 0 | 115.3 | | |
| 65 | L | 47.3 | Very low | 40.5 | Very low | 133 Ų | 133 | 147.7 Ų | 147.7 | 70% | 0.696 | 77% | 0.769 | S | S | * | * | S | Bend | trans | -99.4 | 11.4 | 178.3 | -70.8 | 173.6 | 0 | 0 | 0 | 114.2 | | |
| 66 | L | 45.7 | Very low | 40.5 | Very low | 151 Ų | 151 | 142.4 Ų | 142.4 | 79% | 0.791 | 76% | 0.764 | S | S | * | * | | | trans | -117.1 | 21 | 178.8 | -78.9 | 166.9 | 0 | 0 | 0 | 114.2 | P68 | L66-P68 WeakPolarHBondContact O-CD 3.45Š|
| 67 | L | 43.3 | Very low | 40.3 | Very low | 133 Ų | 133 | 147 Ų | 147 | 70% | 0.696 | 78% | 0.775 | S | S | * | * | | | trans | -90.8 | 116.1 | 161.9 | -88.5 | 81.3 | 0 | 0 | 0 | 109.8 | H69 | L67-H69 PolarHBondContact O-N 2.95Å; L67-H69 VanDerWaalsContact O-N 3.12Å; L67-H69 PolarHBondContact O-ND1 3.06Å |
| 68 | P | 42.8 | Very low | 40 | Very low | 115 Ų | 115 | 150.3 Ų | 150.3 | 75% | 0.747 | 78% | 0.78 | S | S | * | * | | | trans | -61.6 | 116.2 | 162.6 | -15 | 29.4 | 0 | 0 | 0 | 108 | L66 H70 | L66-P68 WeakPolarHBondContact O-CD 3.45Å; P68-H70 PolarHBondContact O-N 2.9Å; P68-H70 VanDerWaalsContact O-N 3.15Å |
| 69 | H | 36.4 | Very low | 39.8 | Very low | 170 Ų | 170 | 150.9 Ų | 150.9 | 79% | 0.787 | 78% | 0.782 | S | S | * | * | | | trans | -62.3 | 114 | 167.5 | -70.4 | 58.4 | 0 | 0 | 0 | 107.4 | L67 L71 | L67-H69 PolarHBondContact O-N 2.95Å; L67-H69 VanDerWaalsContact O-N 3.12Å; L67-H69 PolarHBondContact O-ND1 3.06Å; H69-L71 PolarHBondContact O-N 3.17Å |
| 70 | H | 39.6 | Very low | 40 | Very low | 192 Ų | 192 | 145.9 Ų | 145.9 | 89% | 0.889 | 78% | 0.78 | S | S | * | * | | | trans | -63.2 | 118.5 | 162.8 | -85.7 | -93.5 | 0 | 0 | 0 | 108.1 | P68 | P68-H70 PolarHBondContact O-N 2.9Å; P68-H70 VanDerWaalsContact O-N 3.15Å |
| 71 | L | 38.5 | Very low | 39.2 | Very low | 154 Ų | 154 | 143.3 Ų | 143.3 | 81% | 0.806 | 79% | 0.785 | S | S | * | * | | | trans | -119 | 144 | 162.6 | -90.8 | 153.7 | 0 | 0 | 0 | 109.8 | H69 | H69-L71 PolarHBondContact O-N 3.17Š|
| 72 | P | 42.4 | Very low | 39.3 | Very low | 117 Ų | 117 | 139.4 Ų | 139.4 | 76% | 0.76 | 79% | 0.792 | S | S | * | * | P | Polyproline II helix | trans | -69.2 | 141.9 | -165.7 | -10.5 | 24.9 | 0 | 0 | 0 | 112.5 | | |
| 73 | G | 27.3 | Very low | 39.4 | Very low | 75 Ų | 75 | 134.3 Ų | 134.3 | 77% | 0.773 | 79% | 0.789 | S | S | * | * | P | Polyproline II helix | trans | -71 | 143 | 176.7 | 0 | 0 | 0 | 0 | 0 | 113.2 | | |
| 74 | P | 42.1 | Very low | 39.3 | Very low | 131 Ų | 131 | 133.5 Ų | 133.5 | 85% | 0.851 | 79% | 0.789 | S | S | * | * | P | Polyproline II helix | trans | -87.7 | 144.8 | 173.2 | 33.9 | -31.8 | 0 | 0 | 0 | 112.1 | | |
| 75 | A | 33.5 | Very low | 38.9 | Very low | 98 Ų | 98 | 132.8 Ų | 132.8 | 81% | 0.81 | 80% | 0.797 | S | S | * | * | P | Polyproline II helix | trans | -85.4 | 131.3 | 170.9 | 0 | 0 | 0 | 0 | 0 | 111.1 | | |
| 76 | T | 40.3 | Very low | 38.5 | Very low | 130 Ų | 130 | 137.5 Ų | 137.5 | 80% | 0.798 | 81% | 0.805 | S | S | * | * | | | trans | 18.9 | 120.5 | 149.2 | -47.9 | 0 | 0 | 0 | 0 | 120.2 | | |
| 77 | E | 33.3 | Very low | 38.2 | Very low | 194 Ų | 194 | 135.6 Ų | 135.6 | 91% | 0.907 | 81% | 0.805 | S | S | * | * | | | | -170.3 | 149 | 124.2 | -106.3 | -171.9 | 116.5 | 0 | 0 | 112.5 | | |
| 78 | Q | 34.3 | Very low | 38.1 | Very low | 187 Ų | 187 | 135.2 Ų | 135.2 | 87% | 0.874 | 81% | 0.81 | S | S | * | * | | | trans | -88.3 | 167 | -173.3 | -89.9 | -132.5 | -65 | 0 | 0 | 114.4 | | |
| 79 | P | 41.6 | Very low | 38.2 | Very low | 106 Ų | 106 | 138.6 Ų | 138.6 | 69% | 0.688 | 82% | 0.816 | S | S | * | * | | | trans | -105 | 169.4 | -169.5 | 40.5 | -32.3 | 0 | 0 | 0 | 114.8 | | |
| 80 | P | 41.7 | Very low | 38.7 | Very low | 134 Ų | 134 | 136.8 Ų | 136.8 | 87% | 0.87 | 82% | 0.816 | S | S | * | * | | | trans | -148.7 | 141.7 | 130.5 | 33.8 | -15.5 | 0 | 0 | 0 | 116.2 | | |
| 81 | G | 31.2 | Very low | 39.3 | Very low | 75 Ų | 75 | 131.6 Ų | 131.6 | 77% | 0.773 | 81% | 0.807 | S | S | * | * | | | trans | 126.5 | 89.8 | 143.9 | 0 | 0 | 0 | 0 | 0 | 121.2 | | |
| 82 | A | 33.2 | Very low | 39.3 | Very low | 102 Ų | 102 | 134.3 Ų | 134.3 | 84% | 0.843 | 81% | 0.806 | S | S | * | * | | | trans | 58.3 | 169.5 | 140.9 | 0 | 0 | 0 | 0 | 0 | 122.3 | | |
| 83 | P | 44.1 | Very low | 39 | Very low | 122 Ų | 122 | 136.9 Ų | 136.9 | 79% | 0.792 | 81% | 0.809 | S | S | * | * | | | | -118.9 | 155.5 | -78.8 | 35.9 | -20.6 | 0 | 0 | 0 | 115.3 | | |
| 84 | D | 41.5 | Very low | 40.1 | Very low | 146 Ų | 146 | 140.4 Ų | 140.4 | 78% | 0.781 | 82% | 0.815 | S | S | * | * | | | trans | 7.4 | 147.6 | 160.9 | -85.8 | -20.8 | 0 | 0 | 0 | 122.9 | | |
| 85 | P | 37.6 | Very low | 39.9 | Very low | 123 Ų | 123 | 137.3 Ų | 137.3 | 80% | 0.799 | 80% | 0.8 | S | S | * | * | | | | -138.3 | 115.7 | 100.1 | 33.9 | -18.6 | 0 | 0 | 0 | 114.4 | | |
| 86 | R | 38.9 | Very low | 40.2 | Very low | 232 Ų | 232 | 138.2 Ų | 138.2 | 88% | 0.875 | 80% | 0.798 | S | S | * | * | | | trans | 26.1 | 99.3 | 136.3 | -67.9 | -177.3 | 171 | -169.6 | -3.2 | 117.4 | | |
| 87 | S | 38.3 | Very low | 40.2 | Very low | 111 Ų | 111 | 137.7 Ų | 137.7 | 78% | 0.776 | 80% | 0.799 | S | S | * | * | P | Polyproline II helix | trans | -95.9 | 144 | 150.3 | -60.3 | 0 | 0 | 0 | 0 | 108.9 | Q89 | S87-Q89 PolarHBondContact O-N 2.86Š|
| 88 | P | 41.6 | Very low | 40.9 | Very low | 126 Ų | 126 | 139.7 Ų | 139.7 | 82% | 0.818 | 80% | 0.799 | S | S | * | * | P | Polyproline II helix | trans | -69.9 | 125 | -155.2 | 27.5 | -33.6 | 0 | 0 | 0 | 112.4 | V90 | P88-V90 PolarHBondContact O-N 3.46Š|
| 89 | Q | 45.3 | Very low | 41.5 | Very low | 186 Ų | 186 | 138 Ų | 138 | 87% | 0.869 | 79% | 0.793 | S | S | * | * | P | Polyproline II helix | trans | -65.2 | 120.3 | 159.9 | -84.4 | 176.4 | -15.7 | 0 | 0 | 109.5 | S87 | S87-Q89 PolarHBondContact O-N 2.86Š|
| 90 | V | 46 | Very low | 42.1 | Very low | 131 Ų | 131 | 138.3 Ų | 138.3 | 79% | 0.794 | 79% | 0.793 | S | S | * | * | | | trans | -125.9 | 87.3 | 143.9 | -177.1 | 0 | 0 | 0 | 0 | 103.8 | P88 | P88-V90 PolarHBondContact O-N 3.46Š|
| 91 | A | 53.8 | Low | 42.9 | Very low | 83 Ų | 83 | 137.7 Ų | 137.7 | 69% | 0.686 | 79% | 0.788 | S | S | * | * | | | | 51.9 | 79.9 | 86 | 0 | 0 | 0 | 0 | 0 | 112.6 | | |
| 92 | W | 37.8 | Very low | 44.2 | Very low | 211 Ų | 211 | 138 Ų | 138 | 80% | 0.799 | 77% | 0.772 | S | S | * | * | | | | -163.5 | 123.2 | 114.1 | 57.7 | -83.7 | 0 | 0 | 0 | 109.8 | A95 | W92-A95 HydrophobicContact CZ3-CB 4.39Š|
| 93 | E | 36 | Very low | 45.7 | Very low | 172 Ų | 172 | 134.5 Ų | 134.5 | 80% | 0.804 | 74% | 0.743 | S | S | * | * | | | trans | 24.2 | 131.6 | 148.5 | -60.6 | -155.8 | 150.5 | 0 | 0 | 122.4 | A95 | E93-A95 PolarHBondContact O-N 2.94Å; E93-A95 VanDerWaalsContact O-N 3.13Å |
| 94 | V | 49.9 | Very low | 46.3 | Very low | 149 Ų | 149 | 133.3 Ų | 133.3 | 90% | 0.903 | 74% | 0.735 | S | S | * | * | | | trans | -21.1 | 104.8 | 149.8 | -176.7 | 0 | 0 | 0 | 0 | 113.2 | | |
| 95 | A | 39.1 | Very low | 46.9 | Very low | 66 Ų | 66 | 136.6 Ų | 136.6 | 55% | 0.545 | 74% | 0.737 | S | S | . | * | | | trans | -106.4 | 143.7 | 160.6 | 0 | 0 | 0 | 0 | 0 | 109.4 | W92 E93 | W92-A95 HydrophobicContact CZ3-CB 4.39Å; E93-A95 PolarHBondContact O-N 2.94Å; E93-A95 VanDerWaalsContact O-N 3.13Å |
| 96 | P | 38 | Very low | 48 | Very low | 117 Ų | 117 | 133.2 Ų | 133.2 | 76% | 0.76 | 71% | 0.712 | S | S | * | * | | | trans | -60.6 | 145.7 | -165.3 | -18.5 | 30.5 | 0 | 0 | 0 | 112.3 | R98 | P96-R98 PolarHBondContact O-N 2.87Š|
| 97 | S | 41.4 | Very low | 49 | Very low | 118 Ų | 118 | 128.5 Ų | 128.5 | 83% | 0.825 | 71% | 0.712 | S | S | * | * | | | trans | -32.2 | 112.9 | 170.8 | -175.2 | 0 | 0 | 0 | 0 | 110.6 | M99 | S97-M99 VanDerWaalsContact C-N 3.29Å; S97-M99 PolarHBondContact O-N 2.73Å |
| 98 | R | 46.9 | Very low | 49.7 | Very low | 237 Ų | 237 | 131.6 Ų | 131.6 | 89% | 0.894 | 71% | 0.711 | S | S | * | * | | | trans | -57.2 | 97 | 175.7 | -79.4 | -179.1 | 166.7 | -173.3 | -3.7 | 107.3 | P96 T100 | P96-R98 PolarHBondContact O-N 2.87Å; R98-T100 VanDerWaalsContact C-N 3.34Å; R98-T100 PolarHBondContact O-N 2.78Å |
| 99 | M | 46.9 | Very low | 50.9 | Low | 152 Ų | 152 | 130.8 Ų | 130.8 | 75% | 0.749 | 69% | 0.693 | S | S | * | * | | | trans | -62.1 | 102.8 | 166.3 | -138.1 | 161.1 | 92.7 | 0 | 0 | 104.8 | S97 P101 K112 | S97-M99 VanDerWaalsContact C-N 3.29Å; S97-M99 PolarHBondContact O-N 2.73Å; M99-P101 WeakPolarHBondContact O-CD 3.37Å; M99-K112 HydrophobicContact CE-CG 4.43Å |
| 100 | T | 55.8 | Low | 51.6 | Low | 112 Ų | 112 | 129.2 Ų | 129.2 | 69% | 0.687 | 69% | 0.685 | S | S | * | * | | | trans | -52.1 | 114 | 169 | -56.7 | 0 | 0 | 0 | 0 | 106.1 | R98 L102 | R98-T100 VanDerWaalsContact C-N 3.34Å; R98-T100 PolarHBondContact O-N 2.78Å; T100-L102 PolarHBondContact O-N 2.81Å |
| 101 | P | 56.7 | Low | 52 | Low | 120 Ų | 120 | 126.6 Ų | 126.6 | 78% | 0.779 | 68% | 0.677 | S | S | * | * | | | trans | -68.1 | 104.3 | 179 | 25.2 | -28.5 | 0 | 0 | 0 | 106.6 | M99 A103 | M99-P101 WeakPolarHBondContact O-CD 3.37Å; P101-A103 PolarHBondContact O-N 2.77Å |
| 102 | L | 59 | Low | 52.1 | Low | 81 Ų | 81 | 130.2 Ų | 130.2 | 42% | 0.424 | 68% | 0.677 | S | S | . | * | | | trans | -59.1 | 136.1 | 168.7 | -66.5 | 177.3 | 0 | 0 | 0 | 107 | T100 D106 Y109 | T100-L102 PolarHBondContact O-N 2.81Å; L102-D106 HydrophobicContact CB-CB 4.34Å; L102-Y109 HydrophobicContact CB-CD2 4.11Å; L102-Y109 VanDerWaalsContact O-CD2 3.28Å; L102-Y109 WeakPolarHBondContact O-CD2 3.14Å; L102-Y109 VanDerWaalsContact O-CE2 3.28Å; L102-Y109 WeakPolarHBondContact O-CE2 3.28Å |
| 103 | A | 65.1 | Low | 52.9 | Low | 29 Ų | 29 | 125 Ų | 125 | 24% | 0.24 | 68% | 0.68 | C | S | . | * | | | trans | -64.3 | 147.9 | -178.5 | 0 | 0 | 0 | 0 | 0 | 110.1 | P101 W105 D106 | P101-A103 PolarHBondContact O-N 2.77Å; A103-W105 HydrophobicContact CB-CD2 3.52Å; A103-W105 HydrophobicContact CB-CE3 3.84Å; A103-W105 HydrophobicContact CB-CG 4.22Å; A103-W105 HydrophobicContact CB-CH2 3.59Å; A103-W105 HydrophobicContact CB-CZ2 3.24Å; A103-W105 HydrophobicContact CB-CZ3 3.87Å; A103-W105 PolarHBondContact O-N 3.34Å; A103-D106 WeakPolarHBondContact O-CB 3.34Å; A103-D106 PolarHBondContact O-N 3.08Å |
| 104 | P | 55.9 | Low | 53.4 | Low | 98 Ų | 98 | 119.3 Ų | 119.3 | 64% | 0.636 | 67% | 0.666 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -59 | -8.6 | -175.5 | -24.8 | 33.5 | 0 | 0 | 0 | 115.7 | | |
| 105 | W | 54 | Low | 53.3 | Low | 214 Ų | 214 | 118.5 Ų | 118.5 | 81% | 0.811 | 66% | 0.664 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -102.4 | 0.4 | 179.1 | 57.2 | 81.5 | 0 | 0 | 0 | 113.7 | A103 | A103-W105 HydrophobicContact CB-CD2 3.52Å; A103-W105 HydrophobicContact CB-CE3 3.84Å; A103-W105 HydrophobicContact CB-CG 4.22Å; A103-W105 HydrophobicContact CB-CH2 3.59Å; A103-W105 HydrophobicContact CB-CZ2 3.24Å; A103-W105 HydrophobicContact CB-CZ3 3.87Å; A103-W105 PolarHBondContact O-N 3.34Å |
| 106 | D | 62.6 | Low | 53.5 | Low | 53 Ų | 53 | 126.2 Ų | 126.2 | 28% | 0.283 | 68% | 0.679 | S | S | . | * | | | trans | -71.2 | 127.1 | 172.3 | -170.8 | -32.1 | 0 | 0 | 0 | 109.7 | L102 A103 K108 Y109 | L102-D106 HydrophobicContact CB-CB 4.34Å; A103-D106 WeakPolarHBondContact O-CB 3.34Å; A103-D106 PolarHBondContact O-N 3.08Å; D106-K108 PolarHBondContact O-N 2.91Å; D106-K108 PolarHBondContact OD1-N 2.94Å; D106-Y109 WeakPolarHBondContact O-CB 3.41Å; D106-Y109 PolarHBondContact O-N 3.12Å |
| 107 | P | 59.3 | Low | 53.7 | Low | 133 Ų | 133 | 125.8 Ų | 125.8 | 86% | 0.864 | 68% | 0.677 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -56.1 | -20.2 | 176.1 | -24.1 | 32.5 | 0 | 0 | 0 | 114.8 | | |
| 108 | K | 52.7 | Low | 53.9 | Low | 175 Ų | 175 | 126.8 Ų | 126.8 | 76% | 0.761 | 68% | 0.678 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -96.4 | 8.3 | 178.2 | -59.7 | -178 | -178 | 177 | 0 | 113.1 | D106 E110 | D106-K108 PolarHBondContact O-N 2.91Å; D106-K108 PolarHBondContact OD1-N 2.94Å; K108-E110 PolarHBondContact O-N 3.07Å |
| 109 | Y | 65.8 | Low | 53.5 | Low | 110 Ų | 110 | 126.2 Ų | 126.2 | 43% | 0.431 | 68% | 0.675 | S | S | . | * | | | trans | -69.8 | 101.3 | 178.1 | -176 | -98.7 | 0 | 0 | 0 | 110.8 | L102 D106 A111 | L102-Y109 HydrophobicContact CB-CD2 4.11Å; L102-Y109 VanDerWaalsContact O-CD2 3.28Å; L102-Y109 WeakPolarHBondContact O-CD2 3.14Å; L102-Y109 VanDerWaalsContact O-CE2 3.28Å; L102-Y109 WeakPolarHBondContact O-CE2 3.28Å; D106-Y109 WeakPolarHBondContact O-CB 3.41Å; D106-Y109 PolarHBondContact O-N 3.12Å; Y109-A111 HydrophobicContact CD1-CB 4.48Å; Y109-A111 HydrophobicContact CE1-CB 3.88Å |
| 110 | E | 61.2 | Low | 53.1 | Low | 153 Ų | 153 | 121.7 Ų | 121.7 | 72% | 0.715 | 67% | 0.668 | S | S | * | * | | | trans | -84.3 | 110.3 | 163.7 | -78.5 | -146.7 | 157.5 | 0 | 0 | 110 | K108 K112 | K108-E110 PolarHBondContact O-N 3.07Å; E110-K112 PolarHBondContact O-N 3.09Å |
| 111 | A | 54.2 | Low | 52.5 | Low | 75 Ų | 75 | 120.9 Ų | 120.9 | 62% | 0.62 | 67% | 0.672 | S | S | * | * | | | trans | -63.7 | 102.6 | 169.3 | 0 | 0 | 0 | 0 | 0 | 109 | Y109 A113 | Y109-A111 HydrophobicContact CD1-CB 4.48Å; Y109-A111 HydrophobicContact CE1-CB 3.88Å; A111-A113 PolarHBondContact O-N 3.2Å |
| 112 | K | 55.8 | Low | 51.5 | Low | 160 Ų | 160 | 122.4 Ų | 122.4 | 70% | 0.696 | 67% | 0.674 | S | S | * | * | | | trans | -62.5 | 105.7 | 170.2 | -74.8 | -66.6 | -178 | -162.2 | 0 | 108.3 | M99 E110 G114 | M99-K112 HydrophobicContact CE-CG 4.43Å; E110-K112 PolarHBondContact O-N 3.09Å; K112-G114 VanDerWaalsContact C-N 3.32Å; K112-G114 PolarHBondContact O-N 3.38Å |
| 113 | A | 54.6 | Low | 50.7 | Low | 102 Ų | 102 | 124.8 Ų | 124.8 | 84% | 0.843 | 70% | 0.696 | S | S | * | * | | | trans | -63.4 | 96.2 | 166 | 0 | 0 | 0 | 0 | 0 | 108.1 | A111 | A111-A113 PolarHBondContact O-N 3.2Š|
| 114 | G | 46.7 | Very low | 49.2 | Very low | 51 Ų | 51 | 129.1 Ų | 129.1 | 53% | 0.526 | 72% | 0.724 | S | S | . | * | P | Polyproline II helix | trans | -60.1 | 163.3 | 168 | 0 | 0 | 0 | 0 | 0 | 111.2 | K112 R116 | K112-G114 VanDerWaalsContact C-N 3.32Å; K112-G114 PolarHBondContact O-N 3.38Å; G114-R116 PolarHBondContact O-N 3.32Å |
| 115 | P | 48.1 | Very low | 49.2 | Very low | 133 Ų | 133 | 130.7 Ų | 130.7 | 86% | 0.864 | 74% | 0.738 | S | S | * | * | P | Polyproline II helix | trans | -56.9 | 118.8 | -173.6 | 24 | -32.5 | 0 | 0 | 0 | 110.1 | P117 | P115-P117 WeakPolarHBondContact O-CD 3.28Š|
| 116 | R | 43.1 | Very low | 48.7 | Very low | 227 Ų | 227 | 123.8 Ų | 123.8 | 86% | 0.857 | 73% | 0.733 | S | S | * | * | P | Polyproline II helix | trans | -50.7 | 116.3 | -177.2 | -164.7 | -176.8 | -167.3 | -172.1 | 3.9 | 110.2 | G114 V118 | G114-R116 PolarHBondContact O-N 3.32Å; R116-V118 PolarHBondContact O-N 3.09Å |
| 117 | P | 42.4 | Very low | 47.4 | Very low | 109 Ų | 109 | 125 Ų | 125 | 71% | 0.708 | 75% | 0.751 | S | S | * | * | P | Polyproline II helix | trans | -67 | 120.2 | 162.1 | 26.4 | -28.4 | 0 | 0 | 0 | 106.8 | P115 W119 | P115-P117 WeakPolarHBondContact O-CD 3.28Å; P117-W119 PolarHBondContact O-N 3.27Å |
| 118 | V | 45.7 | Very low | 46.5 | Very low | 139 Ų | 139 | 124.8 Ų | 124.8 | 84% | 0.842 | 75% | 0.752 | S | S | * | * | | | trans | -58.3 | 105.4 | 171 | 171.5 | 0 | 0 | 0 | 0 | 107 | R116 G120 | R116-V118 PolarHBondContact O-N 3.09Å; V118-G120 PolarHBondContact O-N 3.29Å; V118-G120 VanDerWaalsContact O-N 3.11Å |
| 119 | W | 36.9 | Very low | 46 | Very low | 224 Ų | 224 | 124.8 Ų | 124.8 | 85% | 0.848 | 75% | 0.752 | S | S | * | * | | | trans | -70.3 | 106.9 | 176.1 | -162 | -79.5 | 0 | 0 | 0 | 107.5 | P117 A121 | P117-W119 PolarHBondContact O-N 3.27Å; W119-A121 PolarHBondContact O-N 3.02Å |
| 120 | G | 39.4 | Very low | 45 | Very low | 57 Ų | 57 | 123.3 Ų | 123.3 | 59% | 0.588 | 76% | 0.759 | S | S | * | * | | | trans | -56.8 | 134.2 | 169.5 | 0 | 0 | 0 | 0 | 0 | 109.6 | V118 N122 | V118-G120 PolarHBondContact O-N 3.29Å; V118-G120 VanDerWaalsContact O-N 3.11Å; G120-N122 PolarHBondContact O-N 3.15Å; G120-N122 VanDerWaalsContact O-N 3.1Å |
| 121 | A | 43.9 | Very low | 44.5 | Very low | 95 Ų | 95 | 119.7 Ų | 119.7 | 79% | 0.785 | 76% | 0.762 | S | S | * | * | | | trans | -55.2 | 116.9 | 176.1 | 0 | 0 | 0 | 0 | 0 | 109.9 | W119 | W119-A121 PolarHBondContact O-N 3.02Š|
| 122 | N | 34.2 | Very low | 44.4 | Very low | 153 Ų | 153 | 126.8 Ų | 126.8 | 82% | 0.818 | 77% | 0.773 | S | S | * | * | | | trans | -153.5 | 125.2 | 147.7 | -99.8 | -17.3 | 0 | 0 | 0 | 109.2 | G120 | G120-N122 PolarHBondContact O-N 3.15Å; G120-N122 VanDerWaalsContact O-N 3.1Å |
| 123 | C | 43.3 | Very low | 44.4 | Very low | 131 Ų | 131 | 123.3 Ų | 123.3 | 89% | 0.885 | 77% | 0.765 | S | S | * | * | | | trans | -71.9 | 133.2 | -171.4 | -54 | 0 | 0 | 0 | 0 | 111.9 | | |
| 124 | S | 34.3 | Very low | 44.5 | Very low | 119 Ų | 119 | 125.8 Ų | 125.8 | 83% | 0.832 | 76% | 0.763 | S | S | * | * | | | | -161.5 | 131.8 | 125.6 | 57.4 | 0 | 0 | 0 | 0 | 110.5 | | |
| 125 | S | 54 | Low | 45.1 | Very low | 131 Ų | 131 | 129 Ų | 129 | 92% | 0.916 | 78% | 0.776 | S | S | * | * | | | trans | -64.3 | 138.6 | 174.7 | 173.5 | 0 | 0 | 0 | 0 | 111.2 | | |
| 126 | G | 43.5 | Very low | 45.8 | Very low | 69 Ų | 69 | 127.5 Ų | 127.5 | 71% | 0.711 | 76% | 0.758 | S | S | * | * | | | trans | 172.5 | 103.9 | 167.1 | 0 | 0 | 0 | 0 | 0 | 115.1 | | |
| 127 | A | 36.3 | Very low | 46.8 | Very low | 80 Ų | 80 | 121.5 Ų | 121.5 | 66% | 0.661 | 75% | 0.748 | S | S | * | * | | | trans | 56.2 | 98.6 | 163.4 | 0 | 0 | 0 | 0 | 0 | 117.4 | F129 | A127-F129 VanDerWaalsContact C-N 3.31Å; A127-F129 HydrophobicContact CB-CD2 4.23Å; A127-F129 HydrophobicContact CB-CE2 4.44Å; A127-F129 PolarHBondContact O-N 2.91Å |
| 128 | S | 39.7 | Very low | 47.9 | Very low | 127 Ų | 127 | 119.9 Ų | 119.9 | 89% | 0.888 | 74% | 0.739 | S | S | * | * | | | trans | -59.4 | 94.6 | 153.4 | 176 | 0 | 0 | 0 | 0 | 108.8 | S130 | S128-S130 PolarHBondContact O-N 2.96Å; S128-S130 VanDerWaalsContact O-N 3.12Å |
| 129 | F | 43.6 | Very low | 49.1 | Very low | 175 Ų | 175 | 118.1 Ų | 118.1 | 77% | 0.768 | 72% | 0.721 | S | S | * | * | | | trans | -67.4 | 109.8 | 169.6 | -104.6 | -96.3 | 0 | 0 | 0 | 108.4 | A127 G131 | A127-F129 VanDerWaalsContact C-N 3.31Å; A127-F129 HydrophobicContact CB-CD2 4.23Å; A127-F129 HydrophobicContact CB-CE2 4.44Å; A127-F129 PolarHBondContact O-N 2.91Å; F129-G131 PolarHBondContact O-N 3.45Å |
| 130 | S | 44.8 | Very low | 50.4 | Low | 80 Ų | 80 | 115.6 Ų | 115.6 | 56% | 0.559 | 71% | 0.711 | S | S | * | * | | | trans | -60.1 | 109.5 | 165.7 | -180 | 0 | 0 | 0 | 0 | 107.6 | S128 R132 | S128-S130 PolarHBondContact O-N 2.96Å; S128-S130 VanDerWaalsContact O-N 3.12Å; S130-R132 PolarHBondContact O-N 2.74Å |
| 131 | G | 49.1 | Very low | 51.8 | Low | 77 Ų | 77 | 117.1 Ų | 117.1 | 79% | 0.794 | 71% | 0.71 | S | S | * | * | S | Bend | trans | -69.1 | 37.7 | -176 | 0 | 0 | 0 | 0 | 0 | 114.9 | F129 | F129-G131 PolarHBondContact O-N 3.45Š|
| 132 | R | 52.1 | Low | 52.9 | Low | 223 Ų | 223 | 118.1 Ų | 118.1 | 84% | 0.842 | 70% | 0.702 | S | S | * | * | | | trans | -98.1 | 17.9 | 177.3 | -62.5 | -173.4 | 171.5 | -174.5 | -2.4 | 112.7 | S130 L134 | S130-R132 PolarHBondContact O-N 2.74Å; R132-L134 PolarHBondContact O-N 2.77Å |
| 133 | T | 55.9 | Low | 54.4 | Low | 87 Ų | 87 | 115.1 Ų | 115.1 | 53% | 0.534 | 68% | 0.68 | S | S | . | * | S | Bend | trans | -76.8 | 110.7 | 169.9 | 45.7 | 0 | 0 | 0 | 0 | 108.1 | C135 | T133-C135 PolarHBondContact O-N 3.21Å; T133-C135 VanDerWaalsContact O-N 3.09Å |
| 134 | L | 57.8 | Low | 55.5 | Low | 154 Ų | 154 | 115.2 Ų | 115.2 | 81% | 0.806 | 67% | 0.667 | S | S | * | * | | | trans | -43.8 | 114.2 | 177.5 | -69.8 | 160.1 | 0 | 0 | 0 | 110.4 | R132 H136 | R132-L134 PolarHBondContact O-N 2.77Å; L134-H136 PolarHBondContact O-N 2.88Å |
| 135 | C | 58.1 | Low | 56.8 | Low | 118 Ų | 118 | 113.3 Ų | 113.3 | 80% | 0.797 | 66% | 0.659 | S | S | * | * | | | trans | -68.2 | 77.9 | 170.4 | -60.8 | 0 | 0 | 0 | 0 | 108.8 | T133 | T133-C135 PolarHBondContact O-N 3.21Å; T133-C135 VanDerWaalsContact O-N 3.09Å |
| 136 | H | 64 | Low | 57 | Low | 103 Ų | 103 | 111.3 Ų | 111.3 | 48% | 0.477 | 65% | 0.651 | S | S | . | * | | | trans | -89.1 | 131.4 | 173.1 | -172.7 | -88.4 | 0 | 0 | 0 | 108.8 | L134 S138 F139 | L134-H136 PolarHBondContact O-N 2.88Å; H136-S138 PolarHBondContact CE1-OG 2.92Å; H136-S138 WeakPolarHBondContact ND1-CB 3.13Å; H136-S138 PolarHBondContact ND1-N 3.43Å; H136-S138 PolarHBondContact ND1-OG 2.84Å; H136-S138 PolarHBondContact O-N 3.25Å; H136-F139 HydrophobicContact CB-CD2 3.85Å; H136-F139 HydrophobicContact CB-CE2 4.06Å; H136-F139 PolarHBondContact O-N 3.27Å |
| 137 | P | 62.9 | Low | 57.8 | Low | 101 Ų | 101 | 112.2 Ų | 112.2 | 66% | 0.656 | 65% | 0.646 | S | S | * | * | G | 310 helix | trans | -59.1 | -21.8 | -172.2 | 20.7 | -32.8 | 0 | 0 | 0 | 113.8 | F139 W140 | P137-F139 PolarHBondContact O-N 2.89Å; P137-W140 WeakPolarHBondContact O-CB 3.17Å; P137-W140 PolarHBondContact O-N 3.07Å |
| 138 | S | 66.9 | Low | 58.5 | Low | 74 Ų | 74 | 111.4 Ų | 111.4 | 52% | 0.517 | 65% | 0.645 | S | S | . | * | G | 310 helix | trans | -65.7 | -19.9 | 174.8 | 68.9 | 0 | 0 | 0 | 0 | 114.4 | H136 | H136-S138 PolarHBondContact CE1-OG 2.92Å; H136-S138 WeakPolarHBondContact ND1-CB 3.13Å; H136-S138 PolarHBondContact ND1-N 3.43Å; H136-S138 PolarHBondContact ND1-OG 2.84Å; H136-S138 PolarHBondContact O-N 3.25Å |
| 139 | F | 71 | Confident | 59.1 | Low | 103 Ų | 103 | 116.9 Ų | 116.9 | 45% | 0.452 | 65% | 0.646 | S | S | . | * | G | 310 helix | trans | -97.6 | 3.8 | 179.6 | -58.2 | -71.8 | 0 | 0 | 0 | 112.8 | H136 P137 P141 L142 Y143 | H136-F139 HydrophobicContact CB-CD2 3.85Å; H136-F139 HydrophobicContact CB-CE2 4.06Å; H136-F139 PolarHBondContact O-N 3.27Å; P137-F139 PolarHBondContact O-N 2.89Å; F139-P141 VanDerWaalsContact C-N 3.3Å; F139-L142 HydrophobicContact CD1-CD1 3.97Å; F139-L142 WeakPolarHBondContact O-CB 3.2Å; F139-L142 PolarHBondContact O-N 3.11Å; F139-Y143 HydrophobicContact CB-CD2 4.27Å; F139-Y143 HydrophobicContact CB-CE2 3.68Å; F139-Y143 WeakPolarHBondContact O-CD2 3.46Å; F139-Y143 PolarHBondContact O-N 3.26Å |
| 140 | W | 63.4 | Low | 59.6 | Low | 171 Ų | 171 | 111.6 Ų | 111.6 | 65% | 0.648 | 64% | 0.641 | S | S | * | * | H | α-helix | trans | -48.4 | -42.6 | 176.2 | -163 | -96.9 | 0 | 0 | 0 | 114.3 | P137 L142 Y143 E144 | P137-W140 WeakPolarHBondContact O-CB 3.17Å; P137-W140 PolarHBondContact O-N 3.07Å; W140-L142 PolarHBondContact O-N 2.93Å; W140-Y143 PolarHBondContact O-N 3.09Å; W140-E144 PolarHBondContact O-N 3.41Å |
| 141 | P | 70 | Confident | 59.5 | Low | 88 Ų | 88 | 116.1 Ų | 116.1 | 57% | 0.571 | 66% | 0.658 | S | S | * | * | H | α-helix | trans | -60.8 | -30.1 | 177.8 | -24.2 | 35.7 | 0 | 0 | 0 | 114 | F139 A145 | F139-P141 VanDerWaalsContact C-N 3.3Å; P141-A145 PolarHBondContact O-N 3.04Å |
| 142 | L | 65.1 | Low | 59.2 | Low | 117 Ų | 117 | 122.1 Ų | 122.1 | 61% | 0.613 | 66% | 0.657 | S | S | * | * | H | α-helix | trans | -77.7 | -36.8 | 178.6 | -66 | 169 | 0 | 0 | 0 | 111.9 | F139 W140 E144 A146 | F139-L142 HydrophobicContact CD1-CD1 3.97Å; F139-L142 WeakPolarHBondContact O-CB 3.2Å; F139-L142 PolarHBondContact O-N 3.11Å; W140-L142 PolarHBondContact O-N 2.93Å; L142-E144 VanDerWaalsContact C-N 3.35Å; L142-A146 WeakPolarHBondContact O-CB 3.12Å; L142-A146 PolarHBondContact O-N 3.22Å |
| 143 | Y | 65.9 | Low | 58.4 | Low | 89 Ų | 89 | 116 Ų | 116 | 35% | 0.349 | 65% | 0.646 | S | S | . | * | H | α-helix | trans | -66.7 | -38.2 | 174.8 | -63.3 | -65.7 | 0 | 0 | 0 | 111.6 | F139 W140 A146 S147 | F139-Y143 HydrophobicContact CB-CD2 4.27Å; F139-Y143 HydrophobicContact CB-CE2 3.68Å; F139-Y143 WeakPolarHBondContact O-CD2 3.46Å; F139-Y143 PolarHBondContact O-N 3.26Å; W140-Y143 PolarHBondContact O-N 3.09Å; Y143-A146 PolarHBondContact O-N 3.02Å; Y143-S147 WeakPolarHBondContact O-CB 3.33Å; Y143-S147 PolarHBondContact O-N 3.3Å |
| 144 | E | 66.5 | Low | 57.8 | Low | 133 Ų | 133 | 118.2 Ų | 118.2 | 62% | 0.621 | 66% | 0.659 | S | S | * | * | H | α-helix | trans | -65.8 | -42.5 | 176.7 | -170.8 | 166.1 | -156.5 | 0 | 0 | 111.9 | W140 L142 S147 | W140-E144 PolarHBondContact O-N 3.41Å; L142-E144 VanDerWaalsContact C-N 3.35Å; E144-S147 CarbonylContact O-C 3.58Å; E144-S147 PolarHBondContact O-N 2.9Å |
| 145 | A | 62.9 | Low | 57 | Low | 79 Ų | 79 | 114.6 Ų | 114.6 | 65% | 0.653 | 65% | 0.652 | S | S | * | * | H | α-helix | trans | -64.3 | -39.5 | 174.8 | 0 | 0 | 0 | 0 | 0 | 112.8 | P141 S147 G148 | P141-A145 PolarHBondContact O-N 3.04Å; A145-S147 VanDerWaalsContact C-N 3.33Å; A145-G148 PolarHBondContact O-N 2.66Å |
| 146 | A | 56.8 | Low | 56.1 | Low | 90 Ų | 90 | 115.1 Ų | 115.1 | 74% | 0.744 | 65% | 0.654 | S | S | * | * | H | α-helix | trans | -72.9 | -26.6 | 176.1 | 0 | 0 | 0 | 0 | 0 | 112.7 | L142 Y143 G148 | L142-A146 WeakPolarHBondContact O-CB 3.12Å; L142-A146 PolarHBondContact O-N 3.22Å; Y143-A146 PolarHBondContact O-N 3.02Å; A146-G148 PolarHBondContact O-N 3.19Å |
| 147 | S | 60 | Low | 55 | Low | 88 Ų | 88 | 114.7 Ų | 114.7 | 62% | 0.615 | 67% | 0.668 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -83.2 | 18.6 | 175.4 | -172.2 | 0 | 0 | 0 | 0 | 112.9 | Y143 E144 A145 R149 | Y143-S147 WeakPolarHBondContact O-CB 3.33Å; Y143-S147 PolarHBondContact O-N 3.3Å; E144-S147 CarbonylContact O-C 3.58Å; E144-S147 PolarHBondContact O-N 2.9Å; A145-S147 VanDerWaalsContact C-N 3.33Å; S147-R149 VanDerWaalsContact C-N 3.31Å; S147-R149 PolarHBondContact O-N 3.13Å |
| 148 | G | 51.3 | Low | 54.1 | Low | 62 Ų | 62 | 117.2 Ų | 117.2 | 64% | 0.639 | 68% | 0.681 | S | S | * | * | | | trans | -59.5 | 82.6 | 179.8 | 0 | 0 | 0 | 0 | 0 | 113.4 | A145 A146 G150 | A145-G148 PolarHBondContact O-N 2.66Å; A146-G148 PolarHBondContact O-N 3.19Å; G148-G150 PolarHBondContact O-N 3.03Å |
| 149 | R | 52.8 | Low | 52.4 | Low | 242 Ų | 242 | 116.4 Ų | 116.4 | 91% | 0.913 | 69% | 0.685 | S | S | * | * | | | trans | -70.4 | 105.2 | 152.7 | -67.8 | -151.3 | -136.6 | -84.9 | 3 | 107.6 | S147 | S147-R149 VanDerWaalsContact C-N 3.31Å; S147-R149 PolarHBondContact O-N 3.13Å |
| 150 | G | 53.2 | Low | 51.1 | Low | 65 Ų | 65 | 119.2 Ų | 119.2 | 67% | 0.67 | 70% | 0.699 | S | S | * | * | | | trans | 78.5 | 72.4 | 147.4 | 0 | 0 | 0 | 0 | 0 | 117.1 | G148 | G148-G150 PolarHBondContact O-N 3.03Š|
| 151 | L | 43.6 | Very low | 49.4 | Very low | 174 Ų | 174 | 122.2 Ų | 122.2 | 91% | 0.911 | 71% | 0.711 | S | S | * | * | | | trans | -127.2 | 89 | 138.2 | -73 | 176.8 | 0 | 0 | 0 | 107.7 | P153 | L151-P153 WeakPolarHBondContact O-CD 3.43Š|
| 152 | R | 42.5 | Very low | 47.8 | Very low | 203 Ų | 203 | 123.6 Ų | 123.6 | 77% | 0.766 | 71% | 0.713 | S | S | * | * | | | trans | -69.4 | 119 | 164.3 | -95.1 | -85.2 | 52.2 | 149.5 | 6.1 | 107.3 | V154 | R152-V154 PolarHBondContact O-N 2.78Å; R152-V154 VanDerWaalsContact O-N 3.09Å |
| 153 | P | 36.2 | Very low | 46.8 | Very low | 95 Ų | 95 | 121.9 Ų | 121.9 | 62% | 0.617 | 72% | 0.724 | S | S | * | * | | | trans | -60.2 | 116.2 | 156 | 20.2 | -29.2 | 0 | 0 | 0 | 107 | L151 A155 | L151-P153 WeakPolarHBondContact O-CD 3.43Å; P153-A155 PolarHBondContact O-N 2.95Å |
| 154 | V | 43.1 | Very low | 45.3 | Very low | 134 Ų | 134 | 126.9 Ų | 126.9 | 81% | 0.812 | 75% | 0.75 | S | S | * | * | | | trans | -60.7 | 114.3 | 169.1 | 170 | 0 | 0 | 0 | 0 | 106.5 | R152 | R152-V154 PolarHBondContact O-N 2.78Å; R152-V154 VanDerWaalsContact O-N 3.09Å |
| 155 | A | 41.3 | Very low | 44.5 | Very low | 78 Ų | 78 | 130.2 Ų | 130.2 | 65% | 0.645 | 77% | 0.766 | S | S | * | * | P | Polyproline II helix | trans | -64.8 | 136.3 | 168.4 | 0 | 0 | 0 | 0 | 0 | 108.4 | P153 A157 | P153-A155 PolarHBondContact O-N 2.95Å; A155-A157 PolarHBondContact O-N 2.87Å |
| 156 | P | 39.1 | Very low | 43.5 | Very low | 129 Ų | 129 | 130.6 Ų | 130.6 | 84% | 0.838 | 77% | 0.769 | S | S | * | * | P | Polyproline II helix | trans | -57.7 | 124.7 | 170.3 | -18.9 | 30.8 | 0 | 0 | 0 | 108.6 | | |
| 157 | A | 39.6 | Very low | 42.6 | Very low | 93 Ų | 93 | 132 Ų | 132 | 77% | 0.769 | 77% | 0.771 | S | S | * | * | P | Polyproline II helix | trans | -56.7 | 142.5 | -177.9 | 0 | 0 | 0 | 0 | 0 | 111.5 | A155 G159 | A155-A157 PolarHBondContact O-N 2.87Å; A157-G159 PolarHBondContact O-N 3.03Å |
| 158 | T | 45.4 | Very low | 42.2 | Very low | 154 Ų | 154 | 134.1 Ų | 134.1 | 95% | 0.945 | 78% | 0.782 | S | S | * | * | | | trans | -44.9 | 101.7 | 167.8 | -46.3 | 0 | 0 | 0 | 0 | 110.9 | | |
| 159 | G | 30.8 | Very low | 42 | Very low | 58 Ų | 58 | 138.3 Ų | 138.3 | 60% | 0.598 | 79% | 0.79 | S | S | * | * | | | trans | -110 | 109.4 | 173 | 0 | 0 | 0 | 0 | 0 | 109.8 | A157 W161 | A157-G159 PolarHBondContact O-N 3.03Å; G159-W161 PolarHBondContact O-N 2.88Å |
| 160 | H | 43.4 | Very low | 41.8 | Very low | 162 Ų | 162 | 131.7 Ų | 131.7 | 75% | 0.75 | 79% | 0.787 | S | S | * | * | | | trans | -56.6 | 111 | 170.3 | 166.9 | -71.3 | 0 | 0 | 0 | 110.7 | | |
| 161 | W | 28.3 | Very low | 41.3 | Very low | 233 Ų | 233 | 131 Ų | 131 | 88% | 0.883 | 78% | 0.781 | S | S | * | * | | | trans | -127.8 | 111.7 | 160 | -112.5 | -89.3 | 0 | 0 | 0 | 111.1 | G159 | G159-W161 PolarHBondContact O-N 2.88Š|
| 162 | N | 36 | Very low | 41.2 | Very low | 117 Ų | 117 | 131.9 Ų | 131.9 | 63% | 0.626 | 78% | 0.777 | S | S | * | * | | | trans | -49.6 | 127.9 | 165.8 | 46.4 | -18.1 | 0 | 0 | 0 | 114.9 | | |
| 163 | G | 44.7 | Very low | 41.4 | Very low | 81 Ų | 81 | 127.6 Ų | 127.6 | 84% | 0.835 | 78% | 0.776 | S | S | * | * | | | trans | 63.3 | 74.7 | 130.9 | 0 | 0 | 0 | 0 | 0 | 119.1 | | |
| 164 | Q | 34.8 | Very low | 41.9 | Very low | 195 Ų | 195 | 129.4 Ų | 129.4 | 91% | 0.911 | 79% | 0.785 | S | S | * | * | | | trans | -145.4 | 111 | 138.9 | -162.6 | 162.8 | -15.5 | 0 | 0 | 108.8 | A166 | Q164-A166 PolarHBondContact O-N 3.43Š|
| 165 | Q | 49.1 | Very low | 42.1 | Very low | 202 Ų | 202 | 126.9 Ų | 126.9 | 94% | 0.944 | 77% | 0.769 | S | S | * | * | | | trans | -64.4 | 128.1 | -178.8 | -67.8 | 177 | -5 | 0 | 0 | 110.2 | | |
| 166 | A | 41 | Very low | 42.4 | Very low | 87 Ų | 87 | 126.2 Ų | 126.2 | 72% | 0.719 | 76% | 0.759 | S | S | * | * | | | trans | -122.6 | 150.6 | 162.1 | 0 | 0 | 0 | 0 | 0 | 108.9 | Q164 | Q164-A166 PolarHBondContact O-N 3.43Š|
| 167 | P | 38.5 | Very low | 43 | Very low | 121 Ų | 121 | 125.3 Ų | 125.3 | 79% | 0.786 | 76% | 0.755 | S | S | * | * | | | trans | -65.6 | 148.7 | -153 | -19.7 | 31.9 | 0 | 0 | 0 | 114.3 | D169 | P167-D169 PolarHBondContact O-N 2.92Å; P167-D169 VanDerWaalsContact O-N 3.08Å |
| 168 | P | 52.6 | Low | 43.7 | Very low | 131 Ų | 131 | 127.7 Ų | 127.7 | 85% | 0.851 | 75% | 0.75 | S | S | * | * | S | Bend | trans | -84.6 | 83.1 | -174.6 | 35.1 | -31.6 | 0 | 0 | 0 | 110.2 | | |
| 169 | D | 45.3 | Very low | 44.1 | Very low | 150 Ų | 150 | 124.4 Ų | 124.4 | 80% | 0.802 | 73% | 0.727 | S | S | * | * | | | trans | -163.9 | 64.9 | 159.1 | -144.1 | -1 | 0 | 0 | 0 | 113 | P167 | P167-D169 PolarHBondContact O-N 2.92Å; P167-D169 VanDerWaalsContact O-N 3.08Å |
| 170 | A | 48.5 | Very low | 45.4 | Very low | 104 Ų | 104 | 123.6 Ų | 123.6 | 86% | 0.86 | 71% | 0.71 | S | S | * | * | | | trans | -100.2 | 73.7 | 156 | 0 | 0 | 0 | 0 | 0 | 106.8 | | |
| 171 | G | 43.7 | Very low | 46.2 | Very low | 51 Ų | 51 | 121.4 Ų | 121.4 | 53% | 0.526 | 70% | 0.699 | S | S | . | * | | | trans | -47.3 | 144.9 | 164 | 0 | 0 | 0 | 0 | 0 | 109.5 | | |
| 172 | F | 41.8 | Very low | 47.9 | Very low | 191 Ų | 191 | 114.2 Ų | 114.2 | 84% | 0.838 | 68% | 0.677 | S | S | * | * | | | trans | -39.5 | 132.9 | 170.3 | -58.8 | -88.4 | 0 | 0 | 0 | 108.8 | V174 | F172-V174 PolarHBondContact O-N 2.84Š|
| 173 | P | 45.7 | Very low | 49.1 | Very low | 114 Ų | 114 | 111.2 Ų | 111.2 | 74% | 0.74 | 67% | 0.665 | S | S | * | * | | | trans | -53.5 | 113.4 | 177 | 22.4 | -31.3 | 0 | 0 | 0 | 106.4 | V175 | P173-V175 PolarHBondContact O-N 2.96Š|
| 174 | V | 48.1 | Very low | 50.3 | Low | 132 Ų | 132 | 110.2 Ų | 110.2 | 80% | 0.8 | 64% | 0.641 | S | S | * | * | | | trans | -64.7 | 94.7 | 175.3 | 171.1 | 0 | 0 | 0 | 0 | 104.4 | F172 C176 | F172-V174 PolarHBondContact O-N 2.84Å; V174-C176 PolarHBondContact O-N 3.01Å; V174-C176 VanDerWaalsContact O-N 3.08Å |
| 175 | V | 47 | Very low | 51.9 | Low | 81 Ų | 81 | 105.6 Ų | 105.6 | 49% | 0.491 | 63% | 0.627 | S | S | . | * | | | trans | -68.2 | 105 | 171.4 | -71.7 | 0 | 0 | 0 | 0 | 105.4 | P173 C177 | P173-V175 PolarHBondContact O-N 2.96Å; V175-C177 PolarHBondContact O-N 2.79Å |
| 176 | C | 46.2 | Very low | 53 | Low | 64 Ų | 64 | 103.2 Ų | 103.2 | 43% | 0.432 | 62% | 0.621 | S | S | . | * | | | trans | -53.3 | 132.5 | 171.2 | -68.5 | 0 | 0 | 0 | 0 | 107.8 | V174 E178 D179 | V174-C176 PolarHBondContact O-N 3.01Å; V174-C176 VanDerWaalsContact O-N 3.08Å; C176-E178 WeakPolarHBondContact CB-OE2 3.38Å; C176-E178 PolarHBondContact O-N 3.27Å; C176-D179 PolarHBondContact O-N 2.96Å |
| 177 | C | 52.9 | Low | 54.5 | Low | 111 Ų | 111 | 101.8 Ų | 101.8 | 75% | 0.75 | 60% | 0.601 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -57.4 | -14.9 | -176.3 | -66.8 | 0 | 0 | 0 | 0 | 112.9 | V175 | V175-C177 PolarHBondContact O-N 2.79Š|
| 178 | E | 54.2 | Low | 55.9 | Low | 143 Ų | 143 | 99.7 Ų | 99.7 | 67% | 0.668 | 59% | 0.587 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -79.8 | -16.4 | 180 | -62 | 73.3 | -161.8 | 0 | 0 | 113.9 | C176 | C176-E178 WeakPolarHBondContact CB-OE2 3.38Å; C176-E178 PolarHBondContact O-N 3.27Å |
| 179 | D | 53.1 | Low | 56.4 | Low | 84 Ų | 84 | 104.3 Ų | 104.3 | 45% | 0.449 | 59% | 0.587 | S | S | . | * | S | Bend | trans | -100.2 | 0.6 | -178.1 | -68.4 | -42.5 | 0 | 0 | 0 | 113.6 | C176 | C176-D179 PolarHBondContact O-N 2.96Š|
| 180 | V | 57.9 | Low | 57.6 | Low | 41 Ų | 41 | 101 Ų | 101 | 25% | 0.248 | 59% | 0.589 | C | S | . | * | E | Extended strand (participates in β ladder) | trans | -108.5 | 106.4 | -178.5 | -175.8 | 0 | 0 | 0 | 0 | 110.1 | P194 Y196 | V180-P194 HydrophobicContact CG1-CB 3.87Å; V180-Y196 HydrophobicContact CG2-CD1 4.48Å; V180-Y196 HydrophobicContact CG2-CE1 3.99Å |
| 181 | F | 61.9 | Low | 58.5 | Low | 117 Ų | 117 | 102.1 Ų | 102.1 | 51% | 0.513 | 58% | 0.576 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -89.6 | 131.9 | 170.6 | -66.8 | -89 | 0 | 0 | 0 | 109.8 | L195 L197 | F181-L195 PolarHBondContact O-N 3.22Å; F181-L197 HydrophobicContact CD2-CD1 4.44Å; F181-L197 HydrophobicContact CE2-CD1 4.32Å |
| 182 | L | 63.5 | Low | 60 | Low | 82 Ų | 82 | 103 Ų | 103 | 43% | 0.429 | 56% | 0.564 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -89.1 | 133 | 174.5 | -64.5 | 159.5 | 0 | 0 | 0 | 108.2 | D184 R192 | L182-D184 PolarHBondContact O-N 3.27Å; L182-R192 HydrophobicContact CB-CB 4.26Å; L182-R192 HydrophobicContact CD2-CB 3.58Å; L182-R192 HydrophobicContact CD2-CG 4.37Å; L182-R192 HydrophobicContact CG-CB 4.43Å |
| 183 | S | 61.5 | Low | 61.5 | Low | 54 Ų | 54 | 97.9 Ų | 97.9 | 38% | 0.378 | 55% | 0.548 | S | S | . | . | S | Bend | trans | -58.4 | -11.2 | -173.9 | 59.6 | 0 | 0 | 0 | 0 | 116 | V193 | S183-V193 PolarHBondContact N-O 3.3Å; S183-V193 VanDerWaalsContact N-O 3.15Å; S183-V193 PolarHBondContact OG-N 2.71Å; S183-V193 VanDerWaalsContact OG-N 3.09Å |
| 184 | D | 69.8 | Low | 62.2 | Low | 60 Ų | 60 | 95 Ų | 95 | 32% | 0.321 | 53% | 0.53 | S | S | . | . | | | trans | -173.1 | 126.7 | 165.2 | 178.2 | -8.3 | 0 | 0 | 0 | 108.6 | L182 L186 L187 | L182-D184 PolarHBondContact O-N 3.27Å; D184-L186 PolarHBondContact O-N 3.21Å; D184-L186 WeakPolarHBondContact OD1-CB 3.29Å; D184-L186 PolarHBondContact OD1-N 3.48Å; D184-L187 HydrophobicContact CB-CB 4.47Å; D184-L187 HydrophobicContact CB-CD1 3.82Å; D184-L187 HydrophobicContact CB-CG 3.83Å; D184-L187 PolarHBondContact O-N 2.74Å |
| 185 | P | 66.9 | Low | 63.1 | Low | 97 Ų | 97 | 93 Ų | 93 | 63% | 0.63 | 51% | 0.514 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.4 | -18.5 | 178.1 | 26.7 | -35.1 | 0 | 0 | 0 | 114.4 | R192 | P185-R192 PolarHBondContact O-NH2 2.72Š|
| 186 | L | 72.4 | Confident | 63.8 | Low | 153 Ų | 153 | 96.3 Ų | 96.3 | 80% | 0.801 | 52% | 0.519 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -84.9 | -15.4 | 179.8 | -59.1 | 179.6 | 0 | 0 | 0 | 113.1 | D184 | D184-L186 PolarHBondContact O-N 3.21Å; D184-L186 WeakPolarHBondContact OD1-CB 3.29Å; D184-L186 PolarHBondContact OD1-N 3.48Å |
| 187 | L | 73.1 | Confident | 64.4 | Low | 57 Ų | 57 | 98.5 Ų | 98.5 | 30% | 0.298 | 53% | 0.525 | S | S | . | . | S | Bend | trans | -71.1 | 148.1 | 178.4 | -72.8 | 175.4 | 0 | 0 | 0 | 111.8 | D184 R192 | D184-L187 HydrophobicContact CB-CB 4.47Å; D184-L187 HydrophobicContact CB-CD1 3.82Å; D184-L187 HydrophobicContact CB-CG 3.83Å; D184-L187 PolarHBondContact O-N 2.74Å; L187-R192 HydrophobicContact CB-CG 4.09Å; L187-R192 VanDerWaalsContact O-CZ 3.24Å; L187-R192 PolarHBondContact O-NE 3.36Å; L187-R192 PolarHBondContact O-NH2 2.86Å |
| 188 | P | 69.1 | Low | 64.6 | Low | 77 Ų | 77 | 99.7 Ų | 99.7 | 50% | 0.5 | 54% | 0.535 | S | S | . | . | | | trans | -58 | 146.3 | 172.2 | -22.8 | 33.1 | 0 | 0 | 0 | 111.6 | G190 Q191 R192 | P188-G190 PolarHBondContact O-N 3.33Å; P188-Q191 PolarHBondContact O-N 2.87Å; P188-R192 PolarHBondContact O-N 2.76Å |
| 189 | R | 62.4 | Low | 64.3 | Low | 227 Ų | 227 | 100.8 Ų | 100.8 | 86% | 0.857 | 54% | 0.538 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.4 | -22 | -172.7 | -69.5 | -177.4 | 175.4 | 174.5 | -2.2 | 115.2 | | |
| 190 | G | 70.8 | Confident | 64.3 | Low | 82 Ų | 82 | 99.1 Ų | 99.1 | 85% | 0.845 | 54% | 0.535 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -89.7 | -4.8 | 176.1 | 0 | 0 | 0 | 0 | 0 | 115.7 | P188 | P188-G190 PolarHBondContact O-N 3.33Š|
| 191 | Q | 67.7 | Low | 64 | Low | 126 Ų | 126 | 102 Ų | 102 | 59% | 0.589 | 56% | 0.555 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -114 | -2 | -179.9 | -67 | -179.5 | -1.5 | 0 | 0 | 112.7 | P188 V193 | P188-Q191 PolarHBondContact O-N 2.87Å; Q191-V193 PolarHBondContact O-N 2.83Å |
| 192 | R | 74.9 | Confident | 63.7 | Low | 69 Ų | 69 | 103.5 Ų | 103.5 | 26% | 0.26 | 56% | 0.563 | S | S | . | * | P | Polyproline II helix | trans | -75.7 | 121.4 | 177.7 | -59.7 | -180 | -172.2 | -165.9 | -11.3 | 108.5 | L182 P185 L187 P188 P194 | L182-R192 HydrophobicContact CB-CB 4.26Å; L182-R192 HydrophobicContact CD2-CB 3.58Å; L182-R192 HydrophobicContact CD2-CG 4.37Å; L182-R192 HydrophobicContact CG-CB 4.43Å; P185-R192 PolarHBondContact O-NH2 2.72Å; L187-R192 HydrophobicContact CB-CG 4.09Å; L187-R192 VanDerWaalsContact O-CZ 3.24Å; L187-R192 PolarHBondContact O-NE 3.36Å; L187-R192 PolarHBondContact O-NH2 2.86Å; P188-R192 PolarHBondContact O-N 2.76Å; R192-P194 WeakPolarHBondContact O-CD 3.38Å |
| 193 | V | 72.3 | Confident | 63.3 | Low | 84 Ų | 84 | 107.1 Ų | 107.1 | 51% | 0.509 | 58% | 0.578 | S | S | . | * | P | Polyproline II helix | trans | -85.6 | 120.9 | 174.1 | -177.9 | 0 | 0 | 0 | 0 | 107.3 | S183 Q191 L195 | S183-V193 PolarHBondContact N-O 3.3Å; S183-V193 VanDerWaalsContact N-O 3.15Å; S183-V193 PolarHBondContact OG-N 2.71Å; S183-V193 VanDerWaalsContact OG-N 3.09Å; Q191-V193 PolarHBondContact O-N 2.83Å; V193-L195 HydrophobicContact CG1-CD2 4.4Å; V193-L195 PolarHBondContact O-N 2.85Å |
| 194 | P | 61 | Low | 62.5 | Low | 54 Ų | 54 | 112.3 Ų | 112.3 | 35% | 0.351 | 60% | 0.599 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -70 | 117.7 | 172.1 | 27.4 | -30.8 | 0 | 0 | 0 | 108.6 | V180 R192 Y196 | V180-P194 HydrophobicContact CG1-CB 3.87Å; R192-P194 WeakPolarHBondContact O-CD 3.38Å; P194-Y196 HydrophobicContact CB-CD2 4.39Å; P194-Y196 HydrophobicContact CB-CE2 3.67Å; P194-Y196 HydrophobicContact CG-CE2 3.77Å |
| 195 | L | 67.5 | Low | 61.4 | Low | 90 Ų | 90 | 117.3 Ų | 117.3 | 47% | 0.471 | 62% | 0.622 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -93.1 | 108.5 | 174.8 | -63.6 | 175.5 | 0 | 0 | 0 | 108 | F181 V193 | F181-L195 PolarHBondContact O-N 3.22Å; V193-L195 HydrophobicContact CG1-CD2 4.4Å; V193-L195 PolarHBondContact O-N 2.85Å |
| 196 | Y | 59.9 | Low | 60.4 | Low | 151 Ų | 151 | 115.6 Ų | 115.6 | 59% | 0.592 | 62% | 0.622 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -90.9 | 117.9 | 175.7 | -62.8 | -81.1 | 0 | 0 | 0 | 109.2 | V180 P194 | V180-Y196 HydrophobicContact CG2-CD1 4.48Å; V180-Y196 HydrophobicContact CG2-CE1 3.99Å; P194-Y196 HydrophobicContact CB-CD2 4.39Å; P194-Y196 HydrophobicContact CB-CE2 3.67Å; P194-Y196 HydrophobicContact CG-CE2 3.77Å |
| 197 | L | 60.3 | Low | 59.4 | Low | 109 Ų | 109 | 113.3 Ų | 113.3 | 57% | 0.571 | 62% | 0.619 | S | S | * | * | | | trans | -80.5 | 128.3 | 170.3 | -64.8 | 176.8 | 0 | 0 | 0 | 108.7 | F181 K199 | F181-L197 HydrophobicContact CD2-CD1 4.44Å; F181-L197 HydrophobicContact CE2-CD1 4.32Å; L197-K199 PolarHBondContact O-N 3.34Å; L197-K199 VanDerWaalsContact O-N 3.11Å |
| 198 | S | 56.7 | Low | 58.4 | Low | 137 Ų | 137 | 116.1 Ų | 116.1 | 96% | 0.958 | 63% | 0.633 | S | S | * | * | S | Bend | trans | -70.5 | -1.7 | 176.6 | 59.3 | 0 | 0 | 0 | 0 | 113.5 | | |
| 199 | K | 48.4 | Very low | 57.6 | Low | 166 Ų | 166 | 121.1 Ų | 121.1 | 72% | 0.722 | 65% | 0.647 | S | S | * | * | S | Bend | trans | -148.6 | 126.2 | 179.4 | -164.4 | 170.8 | -177.2 | 175.9 | 0 | 108 | L197 | L197-K199 PolarHBondContact O-N 3.34Å; L197-K199 VanDerWaalsContact O-N 3.11Å |
| 200 | A | 52.8 | Low | 57.3 | Low | 48 Ų | 48 | 117.2 Ų | 117.2 | 40% | 0.397 | 64% | 0.643 | S | S | . | * | | | trans | -52.7 | 143 | 169.8 | 0 | 0 | 0 | 0 | 0 | 108.7 | Q202 | A200-Q202 HydrophobicContact CB-CG 4Å; A200-Q202 PolarHBondContact O-N 3.37Å |
| 201 | P | 51.2 | Low | 56.9 | Low | 102 Ų | 102 | 120.5 Ų | 120.5 | 66% | 0.662 | 64% | 0.64 | S | S | * | * | | | trans | -69.8 | 66.5 | 170.8 | 30 | -31.8 | 0 | 0 | 0 | 108.3 | Q203 | P201-Q203 VanDerWaalsContact C-N 3.32Å; P201-Q203 PolarHBondContact O-N 2.91Å |
| 202 | Q | 56.2 | Low | 56.7 | Low | 148 Ų | 148 | 119.5 Ų | 119.5 | 69% | 0.692 | 64% | 0.644 | S | S | * | * | | | trans | -65.5 | 98.9 | 172.4 | -73.3 | -88.4 | -7.4 | 0 | 0 | 105.8 | A200 | A200-Q202 HydrophobicContact CB-CG 4Å; A200-Q202 PolarHBondContact O-N 3.37Å |
| 203 | Q | 55.3 | Low | 56.2 | Low | 159 Ų | 159 | 121.7 Ų | 121.7 | 74% | 0.743 | 67% | 0.667 | S | S | * | * | | | trans | 67.6 | 53.1 | 141 | -51.2 | -114.7 | -49.5 | 0 | 0 | 114.9 | P201 | P201-Q203 VanDerWaalsContact C-N 3.32Å; P201-Q203 PolarHBondContact O-N 2.91Å |
| 204 | M | 43 | Very low | 55.7 | Low | 163 Ų | 163 | 122.2 Ų | 122.2 | 80% | 0.803 | 67% | 0.673 | S | S | * | * | | | trans | -90.7 | 47.3 | 136.1 | -159.4 | 165.7 | -177.6 | 0 | 0 | 108.9 | G206 L208 | M204-G206 VanDerWaalsContact C-N 3.3Å; M204-L208 HydrophobicContact CE-CD1 4.11Å |
| 205 | M | 47.3 | Very low | 55.9 | Low | 165 Ų | 165 | 124.5 Ų | 124.5 | 81% | 0.813 | 69% | 0.687 | S | S | * | * | | | trans | -100.7 | 34.6 | 172.4 | -153 | 81.8 | 123.2 | 0 | 0 | 109.5 | S207 | M205-S207 VanDerWaalsContact C-N 3.33Å; M205-S207 PolarHBondContact O-N 2.81Å |
| 206 | G | 45.7 | Very low | 55.7 | Low | 61 Ų | 61 | 128.8 Ų | 128.8 | 63% | 0.629 | 71% | 0.709 | S | S | * | * | S | Bend | trans | -74.7 | 98.8 | 152.6 | 0 | 0 | 0 | 0 | 0 | 105.1 | M204 L208 | M204-G206 VanDerWaalsContact C-N 3.3Å; G206-L208 VanDerWaalsContact C-N 3.34Å; G206-L208 PolarHBondContact O-N 2.84Å |
| 207 | S | 51.7 | Low | 55.4 | Low | 105 Ų | 105 | 130.2 Ų | 130.2 | 73% | 0.734 | 72% | 0.723 | S | S | * | * | | | trans | -24.4 | 86.8 | -173.7 | 60.9 | 0 | 0 | 0 | 0 | 114.1 | M205 K209 | M205-S207 VanDerWaalsContact C-N 3.33Å; M205-S207 PolarHBondContact O-N 2.81Å; S207-K209 PolarHBondContact O-N 3.34Å |
| 208 | L | 52.6 | Low | 54.8 | Low | 115 Ų | 115 | 128 Ų | 128 | 60% | 0.602 | 72% | 0.717 | S | S | * | * | | | trans | -74.2 | 84.1 | 159.7 | -96.1 | 154.1 | 0 | 0 | 0 | 103.5 | M204 G206 L210 | M204-L208 HydrophobicContact CE-CD1 4.11Å; G206-L208 VanDerWaalsContact C-N 3.34Å; G206-L208 PolarHBondContact O-N 2.84Å; L208-L210 PolarHBondContact O-N 3.45Å |
| 209 | K | 52.7 | Low | 54.8 | Low | 182 Ų | 182 | 125.8 Ų | 125.8 | 79% | 0.791 | 71% | 0.707 | S | S | * | * | | | trans | -57.4 | 85.9 | 158.5 | -93.5 | -177.7 | 169.7 | 172.5 | 0 | 105.1 | S207 L211 | S207-K209 PolarHBondContact O-N 3.34Å; K209-L211 PolarHBondContact O-N 2.97Å |
| 210 | L | 54.8 | Low | 54.9 | Low | 146 Ų | 146 | 129.1 Ų | 129.1 | 76% | 0.764 | 72% | 0.715 | S | S | * | * | | | trans | -64 | 94 | 164.3 | -67.5 | 177.7 | 0 | 0 | 0 | 104.2 | L208 P212 | L208-L210 PolarHBondContact O-N 3.45Å; L210-P212 VanDerWaalsContact O-CD 3.29Å; L210-P212 WeakPolarHBondContact O-CD 3.46Å; L210-P212 VanDerWaalsContact O-N 3.09Å |
| 211 | L | 62 | Low | 55.1 | Low | 151 Ų | 151 | 133.3 Ų | 133.3 | 79% | 0.791 | 74% | 0.736 | S | S | * | * | P | Polyproline II helix | trans | -56.8 | 117.5 | 167.8 | -73 | 167.5 | 0 | 0 | 0 | 105 | K209 | K209-L211 PolarHBondContact O-N 2.97Š|
| 212 | P | 63.3 | Low | 55.3 | Low | 104 Ų | 104 | 134.6 Ų | 134.6 | 68% | 0.675 | 74% | 0.736 | S | S | * | * | P | Polyproline II helix | trans | -55.9 | 140 | 172.1 | 24.8 | -32.1 | 0 | 0 | 0 | 106.9 | L210 | L210-P212 VanDerWaalsContact O-CD 3.29Å; L210-P212 WeakPolarHBondContact O-CD 3.46Å; L210-P212 VanDerWaalsContact O-N 3.09Å |
| 213 | P | 64.8 | Low | 54.6 | Low | 115 Ų | 115 | 132.8 Ų | 132.8 | 75% | 0.747 | 74% | 0.737 | S | S | * | * | P | Polyproline II helix | trans | -51.8 | 136.5 | 172 | 23.6 | -32.4 | 0 | 0 | 0 | 107.6 | | |
| 214 | P | 62.1 | Low | 54.1 | Low | 96 Ų | 96 | 136.3 Ų | 136.3 | 62% | 0.623 | 74% | 0.744 | S | S | * | * | P | Polyproline II helix | trans | -53 | 142.3 | -176.9 | 18.8 | -30.1 | 0 | 0 | 0 | 109.5 | I216 | P214-I216 PolarHBondContact O-N 3.39Š|
| 215 | P | 65.8 | Low | 54 | Low | 101 Ų | 101 | 133.6 Ų | 133.6 | 66% | 0.656 | 74% | 0.738 | S | S | * | * | P | Polyproline II helix | trans | -49.8 | 137 | 179.4 | -23.8 | 31 | 0 | 0 | 0 | 109.8 | M217 S218 | P215-M217 PolarHBondContact O-N 3.2Å; P215-S218 PolarHBondContact O-N 3.15Å; P215-S218 PolarHBondContact O-OG 3.39Å |
| 216 | I | 63.9 | Low | 53.8 | Low | 181 Ų | 181 | 130.1 Ų | 130.1 | 93% | 0.928 | 73% | 0.73 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -55.7 | -16.7 | -175.6 | -62.9 | 169 | 0 | 0 | 0 | 112.1 | P214 | P214-I216 PolarHBondContact O-N 3.39Š|
| 217 | M | 52 | Low | 54 | Low | 181 Ų | 181 | 133.9 Ų | 133.9 | 89% | 0.892 | 74% | 0.743 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -108.6 | 31.8 | 175.4 | -61.9 | -164.2 | 70.8 | 0 | 0 | 114.5 | P215 A219 | P215-M217 PolarHBondContact O-N 3.2Å; M217-A219 PolarHBondContact O-N 2.99Å |
| 218 | S | 48.4 | Very low | 53.9 | Low | 62 Ų | 62 | 133.3 Ų | 133.3 | 43% | 0.434 | 74% | 0.74 | S | S | . | * | | | trans | -72.5 | 116.5 | 163.8 | 30.7 | 0 | 0 | 0 | 0 | 108 | P215 R220 | P215-S218 PolarHBondContact O-N 3.15Å; P215-S218 PolarHBondContact O-OG 3.39Å; S218-R220 PolarHBondContact O-N 3.28Å |
| 219 | A | 55.9 | Low | 53.5 | Low | 91 Ų | 91 | 138.4 Ų | 138.4 | 75% | 0.752 | 75% | 0.751 | S | S | * | * | | | trans | -53.9 | 110.2 | 169.9 | 0 | 0 | 0 | 0 | 0 | 107.1 | M217 V221 | M217-A219 PolarHBondContact O-N 2.99Å; A219-V221 VanDerWaalsContact C-N 3.25Å; A219-V221 PolarHBondContact O-N 3.12Å |
| 220 | R | 51.8 | Low | 53.3 | Low | 236 Ų | 236 | 132.4 Ų | 132.4 | 89% | 0.891 | 74% | 0.741 | S | S | * | * | | | trans | -64.2 | 95.7 | 172.5 | -66.6 | -177.1 | -178.5 | 177.5 | 0.3 | 105.8 | S218 L222 | S218-R220 PolarHBondContact O-N 3.28Å; R220-L222 PolarHBondContact O-N 3.15Å |
| 221 | V | 57.1 | Low | 52.9 | Low | 136 Ų | 136 | 131.2 Ų | 131.2 | 82% | 0.824 | 74% | 0.742 | S | S | * | * | | | trans | -67 | 92.6 | 162.7 | 179.1 | 0 | 0 | 0 | 0 | 104.7 | A219 P223 | A219-V221 VanDerWaalsContact C-N 3.25Å; A219-V221 PolarHBondContact O-N 3.12Å; V221-P223 WeakPolarHBondContact O-CD 3.41Å |
| 222 | L | 54.2 | Low | 52.2 | Low | 129 Ų | 129 | 127.3 Ų | 127.3 | 68% | 0.675 | 73% | 0.727 | S | S | * | * | P | Polyproline II helix | trans | -55 | 123.9 | 174.3 | -166.4 | 77.9 | 0 | 0 | 0 | 106.9 | R220 R224 | R220-L222 PolarHBondContact O-N 3.15Å; L222-R224 PolarHBondContact O-N 3.37Å |
| 223 | P | 42.6 | Very low | 51.8 | Low | 110 Ų | 110 | 128.6 Ų | 128.6 | 71% | 0.714 | 73% | 0.733 | S | S | * | * | P | Polyproline II helix | trans | -55.3 | 117.1 | 164.5 | -20.2 | 31.6 | 0 | 0 | 0 | 106.6 | V221 P225 | V221-P223 WeakPolarHBondContact O-CD 3.41Å; P223-P225 WeakPolarHBondContact O-CD 3.45Å; P223-P225 VanDerWaalsContact O-N 3.11Å |
| 224 | R | 44.7 | Very low | 51.5 | Low | 233 Ų | 233 | 127 Ų | 127 | 88% | 0.879 | 73% | 0.73 | S | S | * | * | P | Polyproline II helix | trans | -47.5 | 120.9 | 176.6 | -173.9 | 176.1 | -173.7 | 148.3 | 0.2 | 107.7 | L222 S226 | L222-R224 PolarHBondContact O-N 3.37Å; R224-S226 PolarHBondContact O-N 2.87Å |
| 225 | P | 40.7 | Very low | 51.8 | Low | 105 Ų | 105 | 133 Ų | 133 | 68% | 0.682 | 74% | 0.741 | S | S | * | * | | | trans | -57.3 | 115.4 | 176 | -21.1 | 30.8 | 0 | 0 | 0 | 107.7 | P223 | P223-P225 WeakPolarHBondContact O-CD 3.45Å; P223-P225 VanDerWaalsContact O-N 3.11Å |
| 226 | S | 43.3 | Very low | 52.4 | Low | 93 Ų | 93 | 131.9 Ų | 131.9 | 65% | 0.65 | 73% | 0.728 | S | S | * | * | | | trans | -61.8 | 133.8 | 175 | -156 | 0 | 0 | 0 | 0 | 108 | R224 S228 | R224-S226 PolarHBondContact O-N 2.87Å; S226-S228 PolarHBondContact O-N 2.84Å |
| 227 | P | 49.5 | Very low | 53.3 | Low | 139 Ų | 139 | 125.8 Ų | 125.8 | 90% | 0.903 | 70% | 0.702 | S | S | * | * | S | Bend | trans | -74.4 | 13.3 | -172.5 | 30.4 | -34.2 | 0 | 0 | 0 | 113.9 | | |
| 228 | S | 49.8 | Very low | 55.2 | Low | 94 Ų | 94 | 119.4 Ų | 119.4 | 66% | 0.657 | 68% | 0.682 | S | S | * | * | | | trans | -124 | 57.2 | -167.6 | 71.5 | 0 | 0 | 0 | 0 | 113 | S226 | S226-S228 PolarHBondContact O-N 2.84Š|
| 229 | R | 44.1 | Very low | 57.2 | Low | 221 Ų | 221 | 121 Ų | 121 | 83% | 0.834 | 69% | 0.692 | S | S | * | * | S | Bend | trans | -167.5 | 120.2 | 151.5 | -137.6 | 165.5 | 171.1 | -172.9 | -4.9 | 108.1 | | |
| 230 | G | 49.4 | Very low | 58.9 | Low | 57 Ų | 57 | 121.2 Ų | 121.2 | 59% | 0.588 | 68% | 0.677 | S | S | * | * | | | trans | -51.1 | 161.2 | 172.2 | 0 | 0 | 0 | 0 | 0 | 111.6 | S232 | G230-S232 PolarHBondContact O-N 3.25Š|
| 231 | P | 46.2 | Very low | 60.8 | Low | 121 Ų | 121 | 114.5 Ų | 114.5 | 79% | 0.786 | 66% | 0.658 | S | S | * | * | | | trans | -58.6 | 108 | -173.7 | 26.6 | -32.6 | 0 | 0 | 0 | 107.9 | T233 | P231-T233 PolarHBondContact O-N 2.93Š|
| 232 | S | 46.8 | Very low | 62.4 | Low | 68 Ų | 68 | 113.8 Ų | 113.8 | 48% | 0.476 | 65% | 0.648 | S | S | . | * | | | trans | -72.7 | 90.4 | 174.8 | -149.2 | 0 | 0 | 0 | 0 | 105.7 | G230 A234 | G230-S232 PolarHBondContact O-N 3.25Å; S232-A234 PolarHBondContact O-N 3.5Å |
| 233 | T | 54.3 | Low | 64.3 | Low | 131 Ų | 131 | 110.3 Ų | 110.3 | 80% | 0.804 | 64% | 0.638 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -71.4 | 38.6 | 177.6 | 48.1 | 0 | 0 | 0 | 0 | 111.8 | P231 | P231-T233 PolarHBondContact O-N 2.93Š|
| 234 | A | 59.3 | Low | 66.7 | Low | 83 Ų | 83 | 109.4 Ų | 109.4 | 69% | 0.686 | 63% | 0.627 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -103.7 | -0.7 | -178.7 | 0 | 0 | 0 | 0 | 0 | 113 | S232 | S232-A234 PolarHBondContact O-N 3.5Š|
| 235 | W | 67.9 | Low | 68.8 | Low | 222 Ų | 222 | 101.4 Ų | 101.4 | 84% | 0.841 | 60% | 0.604 | S | S | * | * | S | Bend | trans | -87.8 | -15.1 | -173.4 | -72.9 | 98.9 | 0 | 0 | 0 | 115 | | |
| 236 | L | 78.1 | Confident | 71.2 | Confident | 77 Ų | 77 | 97.6 Ų | 97.6 | 40% | 0.403 | 58% | 0.584 | S | S | . | * | S | Bend | trans | -125.8 | 127.1 | -179.8 | -62.6 | 172.6 | 0 | 0 | 0 | 108.4 | E240 L241 L244 | L236-E240 WeakPolarHBondContact CA-OE2 3.28Å; L236-E240 HydrophobicContact CB-CB 4.24Å; L236-E240 HydrophobicContact CD2-CB 4.15Å; L236-L241 HydrophobicContact CB-CB 4.29Å; L236-L241 HydrophobicContact CD1-CD1 3.92Å; L236-L244 HydrophobicContact CD1-CD1 3.81Å; L236-L244 HydrophobicContact CD2-CD1 3.82Å; L236-L244 HydrophobicContact CG-CD1 4.49Å |
| 237 | S | 83.9 | Confident | 73.7 | Confident | 52 Ų | 52 | 98.6 Ų | 98.6 | 36% | 0.364 | 58% | 0.581 | S | S | . | * | | | trans | -61.5 | 152.2 | 165.2 | 71.7 | 0 | 0 | 0 | 0 | 109.2 | P239 E240 L241 | S237-P239 VanDerWaalsContact C-CD 3.46Å; S237-P239 VanDerWaalsContact C-N 3.26Å; S237-E240 PolarHBondContact N-OE2 3.44Å; S237-E240 WeakPolarHBondContact O-CB 3.43Å; S237-E240 PolarHBondContact O-N 3.32Å; S237-E240 VanDerWaalsContact OG-CG 3.24Å; S237-E240 WeakPolarHBondContact OG-CG 3.35Å; S237-E240 PolarHBondContact OG-N 2.97Å; S237-E240 PolarHBondContact OG-OE1 3.3Å; S237-E240 PolarHBondContact OG-OE2 2.9Å; S237-L241 PolarHBondContact O-N 3.39Å |
| 238 | G | 91 | Very high | 75.7 | Confident | 47 Ų | 47 | 97.3 Ų | 97.3 | 49% | 0.485 | 57% | 0.566 | S | S | . | * | H | α-helix | trans | -47.7 | -45.9 | 177.8 | 0 | 0 | 0 | 0 | 0 | 113.4 | E240 L241 I242 | G238-E240 PolarHBondContact O-N 3.46Å; G238-L241 PolarHBondContact O-N 3.45Å; G238-I242 WeakPolarHBondContact O-CD1 3.46Å; G238-I242 VanDerWaalsContact O-CG1 3.24Å; G238-I242 WeakPolarHBondContact O-CG1 3.47Å; G238-I242 PolarHBondContact O-N 2.95Å; G238-I242 VanDerWaalsContact O-N 3.1Å |
| 239 | P | 90.1 | Very high | 77.5 | Confident | 97 Ų | 97 | 99.6 Ų | 99.6 | 63% | 0.63 | 57% | 0.567 | S | S | * | * | H | α-helix | trans | -61.3 | -38.3 | 174.2 | -25.8 | 36 | 0 | 0 | 0 | 114.8 | S237 I242 A243 | S237-P239 VanDerWaalsContact C-CD 3.46Å; S237-P239 VanDerWaalsContact C-N 3.26Å; P239-I242 PolarHBondContact O-N 3.37Å; P239-A243 WeakPolarHBondContact O-CB 3.28Å; P239-A243 PolarHBondContact O-N 2.97Å |
| 240 | E | 91.8 | Very high | 79.5 | Confident | 95 Ų | 95 | 96.4 Ų | 96.4 | 44% | 0.444 | 56% | 0.563 | S | S | . | * | H | α-helix | trans | -67.2 | -40.9 | 178.1 | -74.7 | 154.9 | -148.3 | 0 | 0 | 111.9 | L236 S237 G238 I242 A243 L244 | L236-E240 WeakPolarHBondContact CA-OE2 3.28Å; L236-E240 HydrophobicContact CB-CB 4.24Å; L236-E240 HydrophobicContact CD2-CB 4.15Å; S237-E240 PolarHBondContact N-OE2 3.44Å; S237-E240 WeakPolarHBondContact O-CB 3.43Å; S237-E240 PolarHBondContact O-N 3.32Å; S237-E240 VanDerWaalsContact OG-CG 3.24Å; S237-E240 WeakPolarHBondContact OG-CG 3.35Å; S237-E240 PolarHBondContact OG-N 2.97Å; S237-E240 PolarHBondContact OG-OE1 3.3Å; S237-E240 PolarHBondContact OG-OE2 2.9Å; G238-E240 PolarHBondContact O-N 3.46Å; E240-I242 VanDerWaalsContact C-N 3.33Å; E240-A243 PolarHBondContact O-N 3.47Å; E240-L244 WeakPolarHBondContact O-CB 3.43Å; E240-L244 WeakPolarHBondContact O-CG 3.26Å; E240-L244 PolarHBondContact O-N 2.79Å |
| 241 | L | 92.6 | Very high | 81.1 | Confident | 94 Ų | 94 | 98.2 Ų | 98.2 | 49% | 0.492 | 57% | 0.567 | S | S | . | * | H | α-helix | trans | -61.8 | -45 | 175 | -176.2 | 64.6 | 0 | 0 | 0 | 110.4 | L236 S237 G238 L244 T245 | L236-L241 HydrophobicContact CB-CB 4.29Å; L236-L241 HydrophobicContact CD1-CD1 3.92Å; S237-L241 PolarHBondContact O-N 3.39Å; G238-L241 PolarHBondContact O-N 3.45Å; L241-L244 PolarHBondContact O-N 3.09Å; L241-T245 HydrophobicContact CD1-CG2 4.45Å; L241-T245 VanDerWaalsContact O-CG2 3.28Å; L241-T245 WeakPolarHBondContact O-CG2 3.42Å; L241-T245 PolarHBondContact O-N 2.91Å; L241-T245 PolarHBondContact O-OG1 3.39Å; L241-T245 VanDerWaalsContact O-OG1 3.09Å |
| 242 | I | 90.6 | Very high | 82.8 | Confident | 121 Ų | 121 | 99.7 Ų | 99.7 | 62% | 0.621 | 56% | 0.563 | S | S | * | * | H | α-helix | trans | -60.5 | -48 | 177.3 | -66.7 | 163.6 | 0 | 0 | 0 | 110.6 | G238 P239 E240 L244 T245 G246 | G238-I242 WeakPolarHBondContact O-CD1 3.46Å; G238-I242 VanDerWaalsContact O-CG1 3.24Å; G238-I242 WeakPolarHBondContact O-CG1 3.47Å; G238-I242 PolarHBondContact O-N 2.95Å; G238-I242 VanDerWaalsContact O-N 3.1Å; P239-I242 PolarHBondContact O-N 3.37Å; E240-I242 VanDerWaalsContact C-N 3.33Å; I242-L244 PolarHBondContact O-N 3.3Å; I242-T245 WeakPolarHBondContact CA-OG1 3.36Å; I242-T245 PolarHBondContact O-N 2.92Å; I242-T245 PolarHBondContact O-OG1 3.1Å; I242-G246 PolarHBondContact O-N 3.48Å |
| 243 | A | 94.1 | Very high | 84 | Confident | 56 Ų | 56 | 98.6 Ų | 98.6 | 46% | 0.463 | 56% | 0.562 | S | S | . | * | H | α-helix | trans | -60.4 | -45 | 179.1 | 0 | 0 | 0 | 0 | 0 | 112.4 | P239 E240 G246 L247 | P239-A243 WeakPolarHBondContact O-CB 3.28Å; P239-A243 PolarHBondContact O-N 2.97Å; E240-A243 PolarHBondContact O-N 3.47Å; A243-G246 PolarHBondContact O-N 2.93Å; A243-L247 WeakPolarHBondContact O-CG 3.42Å; A243-L247 PolarHBondContact O-N 3.49Å |
| 244 | L | 93.3 | Very high | 84.6 | Confident | 91 Ų | 91 | 101 Ų | 101 | 48% | 0.476 | 56% | 0.564 | S | S | . | * | H | α-helix | trans | -65.2 | -41.2 | 177.9 | -74.6 | 172.1 | 0 | 0 | 0 | 112 | L236 E240 L241 I242 L247 L248 | L236-L244 HydrophobicContact CD1-CD1 3.81Å; L236-L244 HydrophobicContact CD2-CD1 3.82Å; L236-L244 HydrophobicContact CG-CD1 4.49Å; E240-L244 WeakPolarHBondContact O-CB 3.43Å; E240-L244 WeakPolarHBondContact O-CG 3.26Å; E240-L244 PolarHBondContact O-N 2.79Å; L241-L244 PolarHBondContact O-N 3.09Å; I242-L244 PolarHBondContact O-N 3.3Å; L244-L247 PolarHBondContact O-N 3.49Å; L244-L248 WeakPolarHBondContact O-CB 3.24Å; L244-L248 PolarHBondContact O-N 2.92Å |
| 245 | T | 87.3 | Confident | 84.6 | Confident | 65 Ų | 65 | 102.6 Ų | 102.6 | 40% | 0.399 | 57% | 0.568 | S | S | . | * | H | α-helix | trans | -64.4 | -41.4 | 175.9 | 56 | 0 | 0 | 0 | 0 | 112.1 | L241 I242 L248 Q249 | L241-T245 HydrophobicContact CD1-CG2 4.45Å; L241-T245 VanDerWaalsContact O-CG2 3.28Å; L241-T245 WeakPolarHBondContact O-CG2 3.42Å; L241-T245 PolarHBondContact O-N 2.91Å; L241-T245 PolarHBondContact O-OG1 3.39Å; L241-T245 VanDerWaalsContact O-OG1 3.09Å; I242-T245 WeakPolarHBondContact CA-OG1 3.36Å; I242-T245 PolarHBondContact O-N 2.92Å; I242-T245 PolarHBondContact O-OG1 3.1Å; T245-L248 PolarHBondContact O-N 3.38Å; T245-Q249 WeakPolarHBondContact O-CB 3.28Å; T245-Q249 VanDerWaalsContact O-CG 3.28Å; T245-Q249 WeakPolarHBondContact O-CG 3.33Å; T245-Q249 PolarHBondContact O-N 3.02Å |
| 246 | G | 92.9 | Very high | 84 | Confident | 26 Ų | 26 | 102.3 Ų | 102.3 | 27% | 0.268 | 57% | 0.567 | S | S | . | * | H | α-helix | trans | -63.2 | -45.1 | 176 | 0 | 0 | 0 | 0 | 0 | 112.5 | I242 A243 L248 Q249 M250 | I242-G246 PolarHBondContact O-N 3.48Å; A243-G246 PolarHBondContact O-N 2.93Å; G246-L248 VanDerWaalsContact C-N 3.34Å; G246-L248 PolarHBondContact O-N 2.94Å; G246-Q249 PolarHBondContact O-N 2.94Å; G246-M250 VanDerWaalsContact O-CG 3.28Å; G246-M250 WeakPolarHBondContact O-CG 3.4Å; G246-M250 PolarHBondContact O-N 3.37Å |
| 247 | L | 93.8 | Very high | 82.5 | Confident | 113 Ų | 113 | 104.5 Ų | 104.5 | 59% | 0.592 | 59% | 0.586 | S | S | * | * | H | α-helix | trans | -61.7 | -41.3 | 174.9 | -75.8 | 171 | 0 | 0 | 0 | 112.3 | A243 L244 M250 S251 | A243-L247 WeakPolarHBondContact O-CG 3.42Å; A243-L247 PolarHBondContact O-N 3.49Å; L244-L247 PolarHBondContact O-N 3.49Å; L247-M250 PolarHBondContact O-N 2.81Å; L247-S251 WeakPolarHBondContact O-CB 3.41Å; L247-S251 PolarHBondContact O-N 3.23Å |
| 248 | L | 92.1 | Very high | 80.3 | Confident | 112 Ų | 112 | 106.3 Ų | 106.3 | 59% | 0.586 | 60% | 0.598 | S | S | * | * | H | α-helix | trans | -65.1 | -43 | 177.8 | -162.2 | 72.6 | 0 | 0 | 0 | 110.7 | L244 T245 G246 M250 S251 Q252 | L244-L248 WeakPolarHBondContact O-CB 3.24Å; L244-L248 PolarHBondContact O-N 2.92Å; T245-L248 PolarHBondContact O-N 3.38Å; G246-L248 VanDerWaalsContact C-N 3.34Å; G246-L248 PolarHBondContact O-N 2.94Å; L248-M250 PolarHBondContact O-N 3.4Å; L248-S251 WeakPolarHBondContact O-CB 3.43Å; L248-S251 PolarHBondContact O-N 3.41Å; L248-S251 VanDerWaalsContact O-N 3.15Å; L248-Q252 VanDerWaalsContact O-CG 3.26Å; L248-Q252 WeakPolarHBondContact O-CG 3.24Å; L248-Q252 PolarHBondContact O-N 2.88Å |
| 249 | Q | 87.4 | Confident | 77.6 | Confident | 143 Ų | 143 | 109.8 Ų | 109.8 | 67% | 0.668 | 62% | 0.615 | S | S | * | * | H | α-helix | trans | -62.1 | -42.4 | 175.7 | -75 | 174.5 | -27.1 | 0 | 0 | 112.3 | T245 G246 S251 Q252 | T245-Q249 WeakPolarHBondContact O-CB 3.28Å; T245-Q249 VanDerWaalsContact O-CG 3.28Å; T245-Q249 WeakPolarHBondContact O-CG 3.33Å; T245-Q249 PolarHBondContact O-N 3.02Å; G246-Q249 PolarHBondContact O-N 2.94Å; Q249-S251 VanDerWaalsContact C-N 3.26Å; Q249-S251 PolarHBondContact O-N 2.87Å; Q249-Q252 PolarHBondContact O-N 3.14Å |
| 250 | M | 86.5 | Confident | 75.5 | Confident | 153 Ų | 153 | 111 Ų | 111 | 75% | 0.754 | 63% | 0.626 | S | S | * | * | H | α-helix | trans | -62.8 | -35 | 174.3 | -69.7 | 174.1 | 67.7 | 0 | 0 | 112.1 | G246 L247 L248 Q252 | G246-M250 VanDerWaalsContact O-CG 3.28Å; G246-M250 WeakPolarHBondContact O-CG 3.4Å; G246-M250 PolarHBondContact O-N 3.37Å; L247-M250 PolarHBondContact O-N 2.81Å; L248-M250 PolarHBondContact O-N 3.4Å; M250-Q252 VanDerWaalsContact C-N 3.3Å; M250-Q252 PolarHBondContact O-N 3.29Å |
| 251 | S | 82.8 | Confident | 72.8 | Confident | 95 Ų | 95 | 110.2 Ų | 110.2 | 66% | 0.664 | 64% | 0.635 | S | S | * | * | H | α-helix | trans | -72.3 | -20.1 | 178.9 | -174 | 0 | 0 | 0 | 0 | 113.8 | L247 L248 Q249 G253 | L247-S251 WeakPolarHBondContact O-CB 3.41Å; L247-S251 PolarHBondContact O-N 3.23Å; L248-S251 WeakPolarHBondContact O-CB 3.43Å; L248-S251 PolarHBondContact O-N 3.41Å; L248-S251 VanDerWaalsContact O-N 3.15Å; Q249-S251 VanDerWaalsContact C-N 3.26Å; Q249-S251 PolarHBondContact O-N 2.87Å; S251-G253 PolarHBondContact O-N 2.83Å |
| 252 | Q | 82.1 | Confident | 70.4 | Confident | 153 Ų | 153 | 113 Ų | 113 | 72% | 0.715 | 66% | 0.656 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -82.3 | 4.1 | -177.6 | -65.1 | -73.2 | 41 | 0 | 0 | 113.4 | L248 Q249 M250 | L248-Q252 VanDerWaalsContact O-CG 3.26Å; L248-Q252 WeakPolarHBondContact O-CG 3.24Å; L248-Q252 PolarHBondContact O-N 2.88Å; Q249-Q252 PolarHBondContact O-N 3.14Å; M250-Q252 VanDerWaalsContact C-N 3.3Å; M250-Q252 PolarHBondContact O-N 3.29Å |
| 253 | G | 71.4 | Confident | 67.9 | Low | 44 Ų | 44 | 110.2 Ų | 110.2 | 45% | 0.454 | 66% | 0.657 | S | S | . | * | | | trans | 72.6 | 164 | -177.3 | 0 | 0 | 0 | 0 | 0 | 112.5 | S251 P255 | S251-G253 PolarHBondContact O-N 2.83Å; G253-P255 WeakPolarHBondContact O-CD 3.42Å |
| 254 | E | 67 | Low | 65.4 | Low | 181 Ų | 181 | 112.8 Ų | 112.8 | 85% | 0.846 | 67% | 0.669 | S | S | * | * | | | trans | -54.2 | 124.6 | 176.8 | -144 | 86.5 | -177.9 | 0 | 0 | 109.3 | R256 | E254-R256 PolarHBondContact O-N 2.95Š|
| 255 | P | 59.2 | Low | 63.2 | Low | 118 Ų | 118 | 114.7 Ų | 114.7 | 77% | 0.766 | 69% | 0.687 | S | S | * | * | | | trans | -61.1 | 105.7 | 167.8 | 5.9 | -2 | 0 | 0 | 0 | 107 | G253 P257 | G253-P255 WeakPolarHBondContact O-CD 3.42Å; P255-P257 WeakPolarHBondContact O-CD 3.31Å; P255-P257 VanDerWaalsContact O-N 3.11Å |
| 256 | R | 55.8 | Low | 60.8 | Low | 216 Ų | 216 | 118.6 Ų | 118.6 | 82% | 0.815 | 71% | 0.705 | S | S | * | * | | | trans | -54.9 | 119.9 | 174.1 | -165.9 | -173.9 | -171.9 | 128 | 1.3 | 106.8 | E254 S258 | E254-R256 PolarHBondContact O-N 2.95Å; R256-S258 VanDerWaalsContact C-N 3.32Å; R256-S258 PolarHBondContact O-N 3.05Å |
| 257 | P | 46.3 | Very low | 58.6 | Low | 123 Ų | 123 | 125.1 Ų | 125.1 | 80% | 0.799 | 73% | 0.728 | S | S | * | * | | | trans | -71.1 | 98.5 | 175.5 | 28.4 | -29.9 | 0 | 0 | 0 | 106.4 | P255 | P255-P257 WeakPolarHBondContact O-CD 3.31Å; P255-P257 VanDerWaalsContact O-N 3.11Å |
| 258 | S | 37.9 | Very low | 56 | Low | 90 Ų | 90 | 126.3 Ų | 126.3 | 63% | 0.629 | 74% | 0.741 | S | S | * | * | | | trans | -142.2 | 110.3 | 168.7 | -68.2 | 0 | 0 | 0 | 0 | 108.2 | R256 | R256-S258 VanDerWaalsContact C-N 3.32Å; R256-S258 PolarHBondContact O-N 3.05Å |
| 259 | S | 34.8 | Very low | 53.5 | Low | 120 Ų | 120 | 127 Ų | 127 | 84% | 0.839 | 76% | 0.755 | S | S | * | * | | | trans | 81.8 | 89.5 | 169.3 | -126.7 | 0 | 0 | 0 | 0 | 117.4 | A261 | S259-A261 PolarHBondContact O-N 3.26Š|
| 260 | S | 44.9 | Very low | 51.1 | Low | 123 Ų | 123 | 127.3 Ų | 127.3 | 86% | 0.86 | 76% | 0.761 | S | S | * | * | | | trans | -40.5 | 115.7 | 138.4 | 178.2 | 0 | 0 | 0 | 0 | 110.4 | | |
| 261 | A | 36.4 | Very low | 49.3 | Very low | 77 Ų | 77 | 125 Ų | 125 | 64% | 0.636 | 76% | 0.758 | S | S | * | * | | | trans | -170.6 | 115 | 138.8 | 0 | 0 | 0 | 0 | 0 | 111.5 | S259 | S259-A261 PolarHBondContact O-N 3.26Š|
| 262 | V | 42.3 | Very low | 48.1 | Very low | 154 Ų | 154 | 126.4 Ų | 126.4 | 93% | 0.933 | 77% | 0.765 | S | S | * | * | | | trans | 60 | 114.9 | 144.1 | -156.4 | 0 | 0 | 0 | 0 | 117.5 | | |
| 263 | G | 36.8 | Very low | 45.9 | Very low | 62 Ų | 62 | 124.9 Ų | 124.9 | 64% | 0.639 | 77% | 0.77 | S | S | * | * | | | cis | 154.1 | 166.4 | 40.4 | 0 | 0 | 0 | 0 | 0 | 107.5 | | |
| 264 | P | 42.3 | Very low | 44.7 | Very low | 110 Ų | 110 | 128 Ų | 128 | 71% | 0.714 | 78% | 0.783 | S | S | * | * | | | trans | -74 | 158.2 | -170.7 | 32 | -35.3 | 0 | 0 | 0 | 113.7 | D266 | P264-D266 PolarHBondContact O-N 3.25Š|
| 265 | P | 47.2 | Very low | 43.5 | Very low | 130 Ų | 130 | 125.9 Ų | 125.9 | 84% | 0.844 | 79% | 0.787 | S | S | * | * | | | trans | -82.5 | 105 | -178.9 | 32.9 | -29.1 | 0 | 0 | 0 | 110.1 | | |
| 266 | D | 37.7 | Very low | 42.3 | Very low | 148 Ų | 148 | 124.1 Ų | 124.1 | 79% | 0.791 | 79% | 0.789 | S | S | * | * | | | trans | -87.5 | 149.5 | 170.5 | -93 | -37.3 | 0 | 0 | 0 | 112.5 | P264 | P264-D266 PolarHBondContact O-N 3.25Š|
| 267 | H | 45.8 | Very low | 41.8 | Very low | 162 Ų | 162 | 119.5 Ų | 119.5 | 75% | 0.75 | 79% | 0.79 | S | S | * | * | | | trans | -65.8 | 151.4 | -168.2 | -66.5 | -98.8 | 0 | 0 | 0 | 116 | | |
| 268 | T | 40.2 | Very low | 41.8 | Very low | 138 Ų | 138 | 119.2 Ų | 119.2 | 85% | 0.847 | 79% | 0.789 | S | S | * | * | | | trans | 47.8 | 115.2 | 147.3 | 37.1 | 0 | 0 | 0 | 0 | 119.9 | | |
| 269 | S | 37.8 | Very low | 41.8 | Very low | 126 Ų | 126 | 120 Ų | 120 | 88% | 0.881 | 79% | 0.794 | S | S | * | * | | | trans | -155.9 | 125.2 | 132.4 | -163.6 | 0 | 0 | 0 | 0 | 111.9 | | |
| 270 | D | 38 | Very low | 42.2 | Very low | 150 Ų | 150 | 119.9 Ų | 119.9 | 80% | 0.802 | 79% | 0.793 | S | S | * | * | | | trans | -72.6 | -177.6 | 164.9 | -119.2 | -18.8 | 0 | 0 | 0 | 110.9 | | |
| 271 | P | 49.1 | Very low | 42.1 | Very low | 105 Ų | 105 | 119.8 Ų | 119.8 | 68% | 0.682 | 79% | 0.793 | S | S | * | * | | | | -116.5 | -175 | -66.1 | 31.9 | -10.8 | 0 | 0 | 0 | 110.9 | | |
| 272 | P | 56.2 | Low | 42.5 | Very low | 125 Ų | 125 | 125.4 Ų | 125.4 | 81% | 0.812 | 81% | 0.806 | S | S | * | * | | | trans | -84.2 | 151 | -160.7 | 35.2 | -31.9 | 0 | 0 | 0 | 113.1 | | |
| 273 | S | 35.8 | Very low | 42.2 | Very low | 120 Ų | 120 | 121.7 Ų | 121.7 | 84% | 0.839 | 80% | 0.799 | S | S | * | * | | | trans | -141.1 | 153 | 166.2 | -96 | 0 | 0 | 0 | 0 | 112.2 | | |
| 274 | P | 47.6 | Very low | 42.3 | Very low | 111 Ų | 111 | 123.3 Ų | 123.3 | 72% | 0.721 | 81% | 0.806 | S | S | * | * | | | trans | -112.5 | 169.5 | -132.8 | 39 | -30.6 | 0 | 0 | 0 | 113.8 | | |
| 275 | C | 41.1 | Very low | 42.1 | Very low | 136 Ų | 136 | 124.8 Ų | 124.8 | 92% | 0.919 | 81% | 0.808 | S | S | * | * | | | trans | 67.1 | 116.9 | 160 | -80 | 0 | 0 | 0 | 0 | 117.9 | | |
| 276 | G | 34.4 | Very low | 41.7 | Very low | 80 Ų | 80 | 126.6 Ų | 126.6 | 83% | 0.825 | 81% | 0.809 | S | S | * | * | | | trans | 168.8 | 53.4 | 162.1 | 0 | 0 | 0 | 0 | 0 | 114.9 | | |
| 277 | S | 44.6 | Very low | 41.9 | Very low | 119 Ų | 119 | 124.3 Ų | 124.3 | 83% | 0.832 | 81% | 0.805 | S | S | * | * | | | trans | -88.2 | 140.5 | 149.8 | -64.5 | 0 | 0 | 0 | 0 | 107.3 | | |
| 278 | P | 46.5 | Very low | 41.8 | Very low | 118 Ų | 118 | 124.3 Ų | 124.3 | 77% | 0.766 | 81% | 0.81 | S | S | * | * | | | | -146 | 152.3 | 92.8 | 34.7 | -16.8 | 0 | 0 | 0 | 116.2 | | |
| 279 | S | 38.7 | Very low | 42.1 | Very low | 106 Ų | 106 | 123.8 Ų | 123.8 | 74% | 0.741 | 81% | 0.809 | S | S | * | * | | | trans | 68.8 | 106.7 | 138.8 | -64.5 | 0 | 0 | 0 | 0 | 121.2 | | |
| 280 | S | 43.1 | Very low | 42 | Very low | 118 Ų | 118 | 125.6 Ų | 125.6 | 83% | 0.825 | 80% | 0.803 | S | S | * | * | | | trans | -11 | 125.7 | 130.3 | 51.2 | 0 | 0 | 0 | 0 | 117.2 | | |
| 281 | S | 42.7 | Very low | 42.1 | Very low | 121 Ų | 121 | 124.9 Ų | 124.9 | 85% | 0.846 | 81% | 0.805 | S | S | * | * | | | trans | -140.1 | 125.9 | 145.4 | -176.5 | 0 | 0 | 0 | 0 | 109.7 | | |
| 282 | Q | 44.4 | Very low | 42.4 | Very low | 195 Ų | 195 | 125.3 Ų | 125.3 | 91% | 0.911 | 81% | 0.807 | S | S | * | * | | | trans | -62.1 | 145.7 | 173.9 | -72.3 | 152.3 | 20.8 | 0 | 0 | 111 | | |
| 283 | G | 36.3 | Very low | 41.7 | Very low | 76 Ų | 76 | 126.8 Ų | 126.8 | 78% | 0.784 | 81% | 0.808 | S | S | * | * | | | trans | -150 | 92.4 | 163.4 | 0 | 0 | 0 | 0 | 0 | 107.8 | D285 | G283-D285 PolarHBondContact O-N 3.47Š|
| 284 | A | 39.1 | Very low | 42.3 | Very low | 96 Ų | 96 | 126.2 Ų | 126.2 | 79% | 0.793 | 80% | 0.8 | S | S | * | * | | | trans | -64.9 | 123 | 173.8 | 0 | 0 | 0 | 0 | 0 | 109.3 | L286 | A284-L286 PolarHBondContact O-N 3.19Š|
| 285 | D | 37.9 | Very low | 42.1 | Very low | 141 Ų | 141 | 130.4 Ų | 130.4 | 75% | 0.754 | 81% | 0.809 | S | S | * | * | | | trans | -74.2 | 110 | 172.1 | -170.4 | -2.1 | 0 | 0 | 0 | 108.7 | G283 S287 | G283-D285 PolarHBondContact O-N 3.47Å; D285-S287 PolarHBondContact OD1-OG 3.37Å; D285-S287 VanDerWaalsContact OD1-OG 3.14Å |
| 286 | L | 38.4 | Very low | 41.8 | Very low | 167 Ų | 167 | 128.8 Ų | 128.8 | 87% | 0.874 | 80% | 0.798 | S | S | * | * | | | trans | -101.8 | 101.1 | 169.1 | -74.1 | 176.3 | 0 | 0 | 0 | 108.1 | A284 | A284-L286 PolarHBondContact O-N 3.19Š|
| 287 | S | 42 | Very low | 42.7 | Very low | 100 Ų | 100 | 134.4 Ų | 134.4 | 70% | 0.699 | 82% | 0.821 | S | S | * | * | | | trans | -129 | 97.8 | 169.6 | -66.7 | 0 | 0 | 0 | 0 | 110 | D285 | D285-S287 PolarHBondContact OD1-OG 3.37Å; D285-S287 VanDerWaalsContact OD1-OG 3.14Å |
| 288 | L | 44.5 | Very low | 42.6 | Very low | 163 Ų | 163 | 135.2 Ų | 135.2 | 85% | 0.853 | 82% | 0.82 | S | S | * | * | | | trans | -117.2 | 130.5 | 162.8 | -91 | 168.3 | 0 | 0 | 0 | 108 | | |
| 289 | P | 46.2 | Very low | 42.4 | Very low | 126 Ų | 126 | 136.1 Ų | 136.1 | 82% | 0.818 | 82% | 0.823 | S | S | * | * | | | trans | -109.3 | 118.7 | 151 | 31.2 | -22 | 0 | 0 | 0 | 109.8 | | |
| 290 | Q | 36.5 | Very low | 42.6 | Very low | 165 Ų | 165 | 137.8 Ų | 137.8 | 77% | 0.771 | 83% | 0.827 | S | S | * | * | | | trans | -113.2 | 113.6 | 171.3 | -176.5 | 176.4 | -5.3 | 0 | 0 | 108.6 | | |
| 291 | T | 39.5 | Very low | 42.6 | Very low | 135 Ų | 135 | 138.9 Ų | 138.9 | 83% | 0.828 | 83% | 0.827 | S | S | * | * | | | trans | -140.1 | 119.8 | 153.7 | 54.4 | 0 | 0 | 0 | 0 | 108.5 | | |
| 292 | P | 54.8 | Low | 42.6 | Very low | 113 Ų | 113 | 140.1 Ų | 140.1 | 73% | 0.734 | 83% | 0.826 | S | S | * | * | | | trans | -93.9 | 127.6 | 174.6 | 31 | -26.3 | 0 | 0 | 0 | 111.7 | | |
| 293 | D | 42 | Very low | 42.4 | Very low | 156 Ų | 156 | 136.4 Ų | 136.4 | 83% | 0.834 | 82% | 0.821 | S | S | * | * | | | trans | -85.8 | 121.3 | 167.1 | -83 | -42.4 | 0 | 0 | 0 | 111.3 | | |
| 294 | T | 47.9 | Very low | 42.9 | Very low | 108 Ų | 108 | 140.7 Ų | 140.7 | 66% | 0.663 | 82% | 0.823 | S | S | * | * | | | trans | 35.7 | 123 | 139.4 | -22.3 | 0 | 0 | 0 | 0 | 121.7 | | |
| 295 | H | 43.2 | Very low | 43.2 | Very low | 199 Ų | 199 | 144.2 Ų | 144.2 | 92% | 0.921 | 83% | 0.826 | S | S | * | * | | | trans | -145.2 | 135.4 | 135.2 | -100.2 | -73.3 | 0 | 0 | 0 | 110.8 | | |
| 296 | C | 35.6 | Very low | 43.6 | Very low | 102 Ų | 102 | 144.4 Ų | 144.4 | 69% | 0.689 | 83% | 0.831 | S | S | * | * | | | trans | -70.1 | 178.9 | -172.1 | -52.2 | 0 | 0 | 0 | 0 | 114.8 | | |
| 297 | P | 52.7 | Low | 44.1 | Very low | 199 Ų | 199 | 142.4 Ų | 142.4 | 100% | 1.292 | 83% | 0.828 | S | S | * | * | | | | -116.8 | 0 | 66.9 | 37.5 | -33.3 | 0 | 0 | 0 | 115.8 | | |