| 1 | M | 64.4 | Low | 51.1 | Low | 232 Ų | 232 | 129.4 Ų | 129.4 | 100% | 1.143 | 85% | 0.853 | S | S | * | * | | | | 0 | 89.9 | 0 | -79.8 | 67.6 | 172.5 | 0 | 0 | 107.7 | | |
| 2 | D | 50.6 | Low | 51.4 | Low | 159 Ų | 159 | 137.9 Ų | 137.9 | 85% | 0.85 | 86% | 0.855 | S | S | * | * | | | trans | -82.7 | 125.9 | 173.4 | -51.3 | -103.7 | 0 | 0 | 0 | 108.4 | | |
| 3 | V | 54.2 | Low | 52.6 | Low | 149 Ų | 149 | 136.5 Ų | 136.5 | 90% | 0.903 | 85% | 0.849 | S | S | * | * | | | trans | -140.4 | 114.9 | 158.6 | -179.6 | 0 | 0 | 0 | 0 | 107.4 | | |
| 4 | A | 47.9 | Very low | 53.1 | Low | 99 Ų | 99 | 137.4 Ų | 137.4 | 82% | 0.818 | 85% | 0.845 | S | S | * | * | | | trans | -119.4 | 151.8 | 172.5 | 0 | 0 | 0 | 0 | 0 | 109.4 | | |
| 5 | G | 46.5 | Very low | 53.5 | Low | 80 Ų | 80 | 140.3 Ų | 140.3 | 83% | 0.825 | 84% | 0.841 | S | S | * | * | | | trans | 103.7 | 109.9 | 156.2 | 0 | 0 | 0 | 0 | 0 | 117 | | |
| 6 | D | 52.2 | Low | 54 | Low | 167 Ų | 167 | 137.3 Ų | 137.3 | 89% | 0.893 | 83% | 0.826 | S | S | * | * | | | trans | -158.4 | 143 | 130.7 | -164.5 | 65.8 | 0 | 0 | 0 | 106.9 | | |
| 7 | G | 45.2 | Very low | 53.8 | Low | 65 Ų | 65 | 138.7 Ų | 138.7 | 67% | 0.67 | 83% | 0.827 | S | S | * | * | | | cis | 146.2 | -0.6 | 4.7 | 0 | 0 | 0 | 0 | 0 | 114.1 | G9 | G7-G9 PolarHBondContact O-N 3.34Š|
| 8 | G | 48.3 | Very low | 54.1 | Low | 80 Ų | 80 | 139.7 Ų | 139.7 | 83% | 0.825 | 82% | 0.822 | S | S | * | * | | | trans | -89.8 | 87.4 | -172.2 | 0 | 0 | 0 | 0 | 0 | 116.6 | | |
| 9 | G | 41.5 | Very low | 54.1 | Low | 69 Ų | 69 | 141.3 Ų | 141.3 | 71% | 0.711 | 83% | 0.826 | S | S | * | * | | | trans | -85.1 | 105.9 | 177 | 0 | 0 | 0 | 0 | 0 | 115.4 | G7 R11 | G7-G9 PolarHBondContact O-N 3.34Å; G9-R11 PolarHBondContact O-N 2.73Å |
| 10 | G | 53.8 | Low | 54.3 | Low | 80 Ų | 80 | 142.4 Ų | 142.4 | 83% | 0.825 | 83% | 0.827 | S | S | * | * | | | trans | -75.4 | 104.3 | 172.4 | 0 | 0 | 0 | 0 | 0 | 113.3 | | |
| 11 | R | 57.4 | Low | 54.1 | Low | 243 Ų | 243 | 143.8 Ų | 143.8 | 92% | 0.917 | 83% | 0.826 | S | S | * | * | P | Polyproline II helix | trans | -74.1 | 127.6 | -176.6 | -63.4 | 179.9 | 179.4 | -124.6 | -0.5 | 112.2 | G9 | G9-R11 PolarHBondContact O-N 2.73Š|
| 12 | R | 54.3 | Low | 53.7 | Low | 232 Ų | 232 | 142.1 Ų | 142.1 | 88% | 0.875 | 81% | 0.812 | S | S | * | * | P | Polyproline II helix | trans | -68.6 | 141.4 | 168.1 | -65.8 | 172.2 | 71.6 | -147.8 | 5.1 | 110 | N14 | R12-N14 PolarHBondContact O-N 3.34Š|
| 13 | P | 67 | Low | 53.8 | Low | 120 Ų | 120 | 143.2 Ų | 143.2 | 78% | 0.779 | 81% | 0.809 | S | S | * | * | P | Polyproline II helix | trans | -65.4 | 118.3 | 172.7 | 26.6 | -32.8 | 0 | 0 | 0 | 110.2 | | |
| 14 | N | 60.3 | Low | 53.8 | Low | 148 Ų | 148 | 144.2 Ų | 144.2 | 79% | 0.791 | 80% | 0.804 | S | S | * | * | P | Polyproline II helix | trans | -82.6 | 117.2 | 174.6 | -174.6 | -79.8 | 0 | 0 | 0 | 108.6 | R12 | R12-N14 PolarHBondContact O-N 3.34Š|
| 15 | F | 58.2 | Low | 53.8 | Low | 181 Ų | 181 | 148 Ų | 148 | 79% | 0.794 | 81% | 0.805 | S | S | * | * | P | Polyproline II helix | trans | -83.2 | 127 | 169.6 | -100.2 | -87.6 | 0 | 0 | 0 | 109.1 | L17 | F15-L17 PolarHBondContact O-N 2.9Š|
| 16 | P | 62.2 | Low | 53.7 | Low | 93 Ų | 93 | 152.9 Ų | 152.9 | 60% | 0.604 | 81% | 0.806 | S | S | * | * | | | trans | -72.8 | 114.3 | -177.2 | 28.3 | -33.8 | 0 | 0 | 0 | 111.1 | Q18 | P16-Q18 PolarHBondContact O-N 2.76Š|
| 17 | L | 50.8 | Low | 53.2 | Low | 161 Ų | 161 | 150.9 Ų | 150.9 | 84% | 0.843 | 80% | 0.803 | S | S | * | * | | | trans | -84.7 | 23.6 | 175 | -72.3 | 176.4 | 0 | 0 | 0 | 113.6 | F15 L19 | F15-L17 PolarHBondContact O-N 2.9Å; L17-L19 PolarHBondContact O-N 3.5Å |
| 18 | Q | 58.3 | Low | 52.6 | Low | 157 Ų | 157 | 154.4 Ų | 154.4 | 73% | 0.734 | 82% | 0.816 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -79.5 | 21.3 | -172.2 | -64.5 | -175.2 | -68.6 | 0 | 0 | 115 | P16 | P16-Q18 PolarHBondContact O-N 2.76Š|
| 19 | L | 55.4 | Low | 52.5 | Low | 169 Ų | 169 | 155.7 Ų | 155.7 | 89% | 0.885 | 81% | 0.812 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -109.2 | 8.9 | 175.5 | -149.4 | 66.6 | 0 | 0 | 0 | 113.4 | L17 | L17-L19 PolarHBondContact O-N 3.5Š|
| 20 | L | 56.6 | Low | 52.3 | Low | 163 Ų | 163 | 160.7 Ų | 160.7 | 85% | 0.853 | 82% | 0.821 | S | S | * | * | | | trans | -123.6 | 27.2 | -178.4 | -127.8 | 75.1 | 0 | 0 | 0 | 114.1 | K22 | L20-K22 PolarHBondContact O-N 2.88Š|
| 21 | E | 51.6 | Low | 51.9 | Low | 173 Ų | 173 | 161.9 Ų | 161.9 | 81% | 0.808 | 82% | 0.816 | S | S | * | * | | | trans | -92.3 | 67.2 | 172.4 | -66.9 | -173.6 | 138.9 | 0 | 0 | 111.6 | | |
| 22 | K | 55.2 | Low | 51 | Low | 196 Ų | 196 | 155.5 Ų | 155.5 | 85% | 0.852 | 82% | 0.815 | S | S | * | * | | | trans | -155.5 | 129.8 | 161.4 | -163.1 | 162.2 | -175.7 | 167.8 | 0 | 111 | L20 | L20-K22 PolarHBondContact O-N 2.88Š|
| 23 | K | 53.4 | Low | 50.3 | Low | 182 Ų | 182 | 149.1 Ų | 149.1 | 79% | 0.791 | 81% | 0.812 | S | S | * | * | | | trans | 78 | 80.9 | -178.9 | -157.2 | 171.7 | -171.6 | 168.2 | 0 | 113.5 | | |
| 24 | E | 53 | Low | 49.1 | Very low | 171 Ų | 171 | 151 Ų | 151 | 80% | 0.799 | 82% | 0.821 | S | S | * | * | | | | 75 | 110.6 | 81.8 | -70.7 | 169.4 | 129.7 | 0 | 0 | 114 | | |
| 25 | E | 48.6 | Very low | 48.1 | Very low | 178 Ų | 178 | 147.5 Ų | 147.5 | 83% | 0.832 | 82% | 0.82 | S | S | * | * | | | trans | 91.6 | 127.7 | 149.9 | -59.2 | -163.1 | 153.5 | 0 | 0 | 122.8 | | |
| 26 | Q | 44.4 | Very low | 47.2 | Very low | 182 Ų | 182 | 143.7 Ų | 143.7 | 85% | 0.85 | 82% | 0.822 | S | S | * | * | | | trans | 70.3 | 101.9 | 164 | -62.4 | -166.5 | 38.9 | 0 | 0 | 120.3 | | |
| 27 | P | 40.9 | Very low | 46.2 | Very low | 126 Ų | 126 | 144.7 Ų | 144.7 | 82% | 0.818 | 83% | 0.831 | S | S | * | * | | | trans | -90.1 | 148.9 | 161 | 36.4 | -30.8 | 0 | 0 | 0 | 111.7 | | |
| 28 | C | 32.9 | Very low | 45.9 | Very low | 139 Ų | 139 | 141.9 Ų | 141.9 | 94% | 0.939 | 83% | 0.831 | S | S | * | * | | | trans | -153.8 | 136.8 | 149.3 | -124.9 | 0 | 0 | 0 | 0 | 110.7 | | |
| 29 | S | 46.3 | Very low | 45 | Very low | 107 Ų | 107 | 138.6 Ų | 138.6 | 75% | 0.748 | 84% | 0.84 | S | S | * | * | | | trans | -80.6 | 144.8 | -159.3 | -56.3 | 0 | 0 | 0 | 0 | 114.3 | S31 | S29-S31 PolarHBondContact O-N 3.49Š|
| 30 | I | 37.3 | Very low | 44.3 | Very low | 174 Ų | 174 | 134.7 Ų | 134.7 | 89% | 0.892 | 84% | 0.84 | S | S | * | * | | | trans | -66.9 | 127.5 | 152.3 | -74.6 | 172.3 | 0 | 0 | 0 | 107.5 | | |
| 31 | S | 45.7 | Very low | 43.6 | Very low | 105 Ų | 105 | 135.3 Ų | 135.3 | 73% | 0.734 | 84% | 0.844 | S | S | * | * | | | trans | -148.7 | 132.6 | 164.4 | -72.3 | 0 | 0 | 0 | 0 | 108.8 | S29 | S29-S31 PolarHBondContact O-N 3.49Š|
| 32 | A | 38.9 | Very low | 43.1 | Very low | 108 Ų | 108 | 130.7 Ų | 130.7 | 89% | 0.893 | 84% | 0.843 | S | S | * | * | | | trans | -75.9 | 132.2 | 178.2 | 0 | 0 | 0 | 0 | 0 | 110 | | |
| 33 | A | 39.3 | Very low | 42.5 | Very low | 98 Ų | 98 | 129.4 Ų | 129.4 | 81% | 0.81 | 85% | 0.845 | S | S | * | * | | | trans | -144.8 | 128.3 | 164.8 | 0 | 0 | 0 | 0 | 0 | 110.3 | | |
| 34 | V | 41 | Very low | 42 | Very low | 159 Ų | 159 | 124.3 Ų | 124.3 | 96% | 0.964 | 85% | 0.845 | S | S | * | * | | | trans | -66 | 140.2 | 168 | -158.2 | 0 | 0 | 0 | 0 | 108.6 | | |
| 35 | G | 40.5 | Very low | 41.5 | Very low | 76 Ų | 76 | 122.3 Ų | 122.3 | 78% | 0.784 | 85% | 0.85 | S | S | * | * | | | trans | 174.6 | 134.2 | 174.3 | 0 | 0 | 0 | 0 | 0 | 113.5 | | |
| 36 | A | 40 | Very low | 41.1 | Very low | 100 Ų | 100 | 117.2 Ų | 117.2 | 83% | 0.826 | 85% | 0.845 | S | S | * | * | | | trans | -108.6 | 140.9 | -177.1 | 0 | 0 | 0 | 0 | 0 | 112.3 | | |
| 37 | S | 41.1 | Very low | 41 | Very low | 115 Ų | 115 | 113.2 Ų | 113.2 | 80% | 0.804 | 84% | 0.843 | S | S | * | * | | | trans | 167 | 124.3 | 150.7 | 52.8 | 0 | 0 | 0 | 0 | 107.1 | | |
| 38 | A | 43.3 | Very low | 41.4 | Very low | 101 Ų | 101 | 114.2 Ų | 114.2 | 84% | 0.835 | 85% | 0.846 | S | S | * | * | | | | 79.3 | 107.1 | 52 | 0 | 0 | 0 | 0 | 0 | 114 | | |
| 39 | G | 40.7 | Very low | 41.6 | Very low | 89 Ų | 89 | 111.4 Ų | 111.4 | 92% | 0.918 | 84% | 0.841 | S | S | * | * | | | trans | 95.5 | 150.6 | 155.9 | 0 | 0 | 0 | 0 | 0 | 117.5 | | |
| 40 | G | 40.1 | Very low | 41.3 | Very low | 86 Ų | 86 | 110.1 Ų | 110.1 | 89% | 0.887 | 85% | 0.845 | S | S | * | * | | | trans | 133.9 | 77.7 | 164 | 0 | 0 | 0 | 0 | 0 | 115.9 | | |
| 41 | N | 41.9 | Very low | 41.3 | Very low | 177 Ų | 177 | 111.4 Ų | 111.4 | 95% | 0.947 | 85% | 0.847 | S | S | * | * | | | trans | -89.4 | 145.1 | 170.4 | -164.4 | 45.5 | 0 | 0 | 0 | 109.9 | | |
| 42 | G | 41.5 | Very low | 41.5 | Very low | 75 Ų | 75 | 114.8 Ų | 114.8 | 77% | 0.773 | 85% | 0.853 | S | S | * | * | | | trans | -178.1 | 111.2 | 177.7 | 0 | 0 | 0 | 0 | 0 | 115.5 | | |
| 43 | N | 42.1 | Very low | 41.6 | Very low | 169 Ų | 169 | 118.5 Ų | 118.5 | 90% | 0.904 | 85% | 0.852 | S | S | * | * | | | trans | -102.8 | 141.2 | 178.1 | -163.9 | 44.8 | 0 | 0 | 0 | 109.7 | | |
| 44 | G | 43.3 | Very low | 42 | Very low | 76 Ų | 76 | 122.5 Ų | 122.5 | 78% | 0.784 | 85% | 0.854 | S | S | * | * | | | trans | -161.3 | 127.2 | -177.3 | 0 | 0 | 0 | 0 | 0 | 114.5 | | |
| 45 | S | 42.1 | Very low | 42.5 | Very low | 129 Ų | 129 | 121 Ų | 121 | 90% | 0.902 | 85% | 0.845 | S | S | * | * | | | trans | -94.3 | 154.9 | -170.4 | -50.9 | 0 | 0 | 0 | 0 | 114.2 | | |
| 46 | G | 40.4 | Very low | 43 | Very low | 71 Ų | 71 | 128.9 Ų | 128.9 | 73% | 0.732 | 85% | 0.851 | S | S | * | * | | | trans | 153.3 | 99.2 | 168.7 | 0 | 0 | 0 | 0 | 0 | 110.5 | | |
| 47 | A | 41.6 | Very low | 43.6 | Very low | 97 Ų | 97 | 133.2 Ų | 133.2 | 80% | 0.802 | 85% | 0.851 | S | S | * | * | | | | 85.6 | 137.6 | 62 | 0 | 0 | 0 | 0 | 0 | 114.1 | | |
| 48 | V | 48.8 | Very low | 44.4 | Very low | 147 Ų | 147 | 132.3 Ų | 132.3 | 89% | 0.891 | 85% | 0.85 | S | S | * | * | | | trans | 80.6 | 105.7 | 167 | -166.2 | 0 | 0 | 0 | 0 | 118.9 | | |
| 49 | G | 37.3 | Very low | 45.3 | Very low | 80 Ų | 80 | 131.4 Ų | 131.4 | 83% | 0.825 | 84% | 0.843 | S | S | * | * | | | | 69.4 | 116.9 | 120.2 | 0 | 0 | 0 | 0 | 0 | 120.5 | | |
| 50 | G | 39.7 | Very low | 46.3 | Very low | 81 Ų | 81 | 133.1 Ų | 133.1 | 84% | 0.835 | 84% | 0.838 | S | S | * | * | | | trans | 174.2 | 59.3 | 171.7 | 0 | 0 | 0 | 0 | 0 | 116.2 | M52 | G50-M52 PolarHBondContact O-N 3.12Š|
| 51 | E | 37.6 | Very low | 47 | Very low | 200 Ų | 200 | 138.9 Ų | 138.9 | 94% | 0.935 | 84% | 0.839 | S | S | * | * | | | trans | -76 | 94.5 | 170.2 | -79.8 | 175.4 | 71.5 | 0 | 0 | 111.8 | | |
| 52 | M | 50.3 | Low | 48 | Very low | 176 Ų | 176 | 142.1 Ų | 142.1 | 87% | 0.867 | 84% | 0.838 | S | S | * | * | | | trans | -145.5 | 98.7 | 157.8 | -74.8 | -159 | 178.3 | 0 | 0 | 113 | G50 Q54 | G50-M52 PolarHBondContact O-N 3.12Å; M52-Q54 PolarHBondContact O-N 3.42Å |
| 53 | Q | 41.4 | Very low | 48.7 | Very low | 186 Ų | 186 | 144.1 Ų | 144.1 | 87% | 0.869 | 84% | 0.84 | S | S | * | * | | | trans | 37 | 56.4 | 136.5 | -152.2 | 73.8 | -3.2 | 0 | 0 | 118.7 | V55 | Q53-V55 PolarHBondContact O-N 3.18Å; Q53-V55 VanDerWaalsContact O-N 3.16Å |
| 54 | Q | 46.9 | Very low | 49.4 | Very low | 183 Ų | 183 | 140.6 Ų | 140.6 | 86% | 0.855 | 83% | 0.829 | S | S | * | * | | | trans | -70.9 | 113.3 | 168.4 | -84.8 | -165.8 | 6.1 | 0 | 0 | 111.8 | M52 R56 | M52-Q54 PolarHBondContact O-N 3.42Å; Q54-R56 PolarHBondContact O-N 3.49Å |
| 55 | V | 51.5 | Low | 50.1 | Low | 127 Ų | 127 | 144.4 Ų | 144.4 | 77% | 0.77 | 84% | 0.837 | S | S | * | * | | | trans | -56 | 101.3 | 170.3 | 177.1 | 0 | 0 | 0 | 0 | 109.7 | Q53 K57 | Q53-V55 PolarHBondContact O-N 3.18Å; Q53-V55 VanDerWaalsContact O-N 3.16Å; V55-K57 PolarHBondContact O-N 3.5Å |
| 56 | R | 52 | Low | 51.3 | Low | 241 Ų | 241 | 145.8 Ų | 145.8 | 91% | 0.909 | 83% | 0.826 | S | S | * | * | | | trans | -70.8 | 76.7 | 174.7 | -67.5 | -174.8 | -179.8 | 177.6 | 1.2 | 110.5 | Q54 A58 | Q54-R56 PolarHBondContact O-N 3.49Å; R56-A58 PolarHBondContact O-N 3.37Å |
| 57 | K | 52 | Low | 52.2 | Low | 192 Ų | 192 | 145.8 Ų | 145.8 | 84% | 0.835 | 81% | 0.81 | S | S | * | * | | | trans | -57.1 | 109.3 | 159.4 | -91.8 | -178.4 | 173.8 | 173.5 | 0 | 107.3 | V55 A59 | V55-K57 PolarHBondContact O-N 3.5Å; K57-A59 PolarHBondContact O-N 3.31Å; K57-A59 VanDerWaalsContact O-N 3.09Å |
| 58 | A | 58.8 | Low | 53.2 | Low | 95 Ų | 95 | 152.8 Ų | 152.8 | 79% | 0.785 | 82% | 0.815 | S | S | * | * | P | Polyproline II helix | trans | -58.2 | 116.1 | -175.7 | 0 | 0 | 0 | 0 | 0 | 110.2 | R56 | R56-A58 PolarHBondContact O-N 3.37Š|
| 59 | A | 61.9 | Low | 54.3 | Low | 82 Ų | 82 | 149.7 Ų | 149.7 | 68% | 0.678 | 79% | 0.791 | S | S | * | * | P | Polyproline II helix | trans | -56.6 | 134.8 | 172.8 | 0 | 0 | 0 | 0 | 0 | 109.1 | K57 K61 | K57-A59 PolarHBondContact O-N 3.31Å; K57-A59 VanDerWaalsContact O-N 3.09Å; A59-K61 PolarHBondContact O-N 2.75Å; A59-K61 VanDerWaalsContact O-N 3.09Å |
| 60 | P | 61.7 | Low | 55.7 | Low | 126 Ų | 126 | 150.2 Ų | 150.2 | 82% | 0.818 | 78% | 0.779 | S | S | * | * | P | Polyproline II helix | trans | -58.9 | 119.6 | -173.1 | 21.5 | -32.3 | 0 | 0 | 0 | 110.4 | R62 | P60-R62 PolarHBondContact O-N 3.29Š|
| 61 | K | 54.7 | Low | 57.2 | Low | 206 Ų | 206 | 152.4 Ų | 152.4 | 90% | 0.896 | 77% | 0.765 | S | S | * | * | | | trans | -57.3 | 113.7 | 179.2 | -70.7 | 179.8 | 178.1 | 177.4 | 0 | 108.7 | A59 S63 | A59-K61 PolarHBondContact O-N 2.75Å; A59-K61 VanDerWaalsContact O-N 3.09Å; K61-S63 PolarHBondContact O-N 3.4Å |
| 62 | R | 62.1 | Low | 58.4 | Low | 245 Ų | 245 | 146.5 Ų | 146.5 | 93% | 0.925 | 74% | 0.742 | S | S | * | * | | | trans | -27.9 | 113.3 | -176.8 | -64.3 | 179 | -71.3 | -174.9 | -2.5 | 112.3 | P60 S64 | P60-R62 PolarHBondContact O-N 3.29Å; R62-S64 PolarHBondContact O-N 3.31Å |
| 63 | S | 56.7 | Low | 58.8 | Low | 117 Ų | 117 | 144.9 Ų | 144.9 | 82% | 0.818 | 73% | 0.733 | S | S | * | * | | | trans | -64.3 | 133.5 | -177.1 | 63.7 | 0 | 0 | 0 | 0 | 111.2 | K61 | K61-S63 PolarHBondContact O-N 3.4Š|
| 64 | S | 56.4 | Low | 60.2 | Low | 96 Ų | 96 | 138.9 Ų | 138.9 | 67% | 0.671 | 72% | 0.721 | S | S | * | * | | | trans | 39.9 | 119.8 | 161.4 | -160.7 | 0 | 0 | 0 | 0 | 118.2 | R62 K66 | R62-S64 PolarHBondContact O-N 3.31Å; S64-K66 PolarHBondContact O-N 3.19Å |
| 65 | T | 57.4 | Low | 61.3 | Low | 155 Ų | 155 | 139.9 Ų | 139.9 | 95% | 0.951 | 72% | 0.717 | S | S | * | * | | | trans | -65 | 53.8 | 161.1 | -46 | 0 | 0 | 0 | 0 | 111.5 | D67 | T65-D67 PolarHBondContact O-N 3.04Š|
| 66 | K | 67.1 | Low | 62.3 | Low | 158 Ų | 158 | 135.7 Ų | 135.7 | 69% | 0.687 | 70% | 0.699 | S | S | * | * | | | trans | -83.6 | 104.4 | 176.6 | -165 | 158.6 | -174.3 | 172.1 | 0 | 107.7 | S64 R68 | S64-K66 PolarHBondContact O-N 3.19Å; K66-R68 PolarHBondContact O-N 3.12Å; K66-R68 VanDerWaalsContact O-N 3.08Å |
| 67 | D | 60.2 | Low | 63.6 | Low | 72 Ų | 72 | 130.5 Ų | 130.5 | 39% | 0.385 | 68% | 0.68 | S | S | . | * | | | trans | -45.3 | 116.2 | 175.4 | -170.4 | -5.8 | 0 | 0 | 0 | 110.4 | T65 H69 R78 | T65-D67 PolarHBondContact O-N 3.04Å; D67-H69 PolarHBondContact O-N 3.05Å; D67-H69 VanDerWaalsContact O-N 3.14Å; D67-H69 WeakPolarHBondContact OD1-CB 3.36Å; D67-H69 IonicContact OD1-CE1 3.84Å; D67-H69 IonicContact OD1-CG 3.37Å; D67-H69 PolarHBondContact OD1-N 2.82Å; D67-H69 IonicContact OD1-ND1 2.71Å; D67-H69 PolarHBondContact OD1-ND1 3.3Å; D67-R78 IonicContact OD1-CZ 3.54Å; D67-R78 IonicContact OD1-NH1 3.98Å; D67-R78 PolarHBondContact OD1-NH1 3.32Å; D67-R78 WeakPolarHBondContact OD2-CD 3.29Å; D67-R78 IonicContact OD2-CZ 3.61Å; D67-R78 IonicContact OD2-NE 3.83Å; D67-R78 IonicContact OD2-NH1 3.03Å; D67-R78 PolarHBondContact OD2-NH1 3.48Å |
| 68 | R | 63.5 | Low | 65.2 | Low | 244 Ų | 244 | 128.1 Ų | 128.1 | 92% | 0.921 | 67% | 0.665 | S | S | * | * | | | trans | -70.9 | 1.1 | 178.3 | -68.9 | -170.8 | 179.7 | -168.5 | 0.2 | 112.8 | K66 T70 | K66-R68 PolarHBondContact O-N 3.12Å; K66-R68 VanDerWaalsContact O-N 3.08Å; R68-T70 PolarHBondContact O-N 2.82Å |
| 69 | H | 71.1 | Confident | 66.4 | Low | 81 Ų | 81 | 130 Ų | 130 | 38% | 0.375 | 66% | 0.661 | S | S | . | * | S | Bend | trans | -67.5 | 122.7 | 176 | -72.4 | 61.5 | 0 | 0 | 0 | 109.5 | D67 K71 R78 | D67-H69 PolarHBondContact O-N 3.05Å; D67-H69 VanDerWaalsContact O-N 3.14Å; D67-H69 WeakPolarHBondContact OD1-CB 3.36Å; D67-H69 IonicContact OD1-CE1 3.84Å; D67-H69 IonicContact OD1-CG 3.37Å; D67-H69 PolarHBondContact OD1-N 2.82Å; D67-H69 IonicContact OD1-ND1 2.71Å; D67-H69 PolarHBondContact OD1-ND1 3.3Å; H69-K71 PolarHBondContact O-N 3.28Å; H69-R78 HydrophobicContact CB-CG 4.02Å; H69-R78 WeakPolarHBondContact CD2-CG 3.37Å; H69-R78 PolarHBondContact CD2-NE 2.98Å; H69-R78 VanDerWaalsContact CD2-NE 3.31Å; H69-R78 PolarHBondContact CE1-NE 2.75Å; H69-R78 PolarHBondContact CE1-NH2 3.41Å; H69-R78 VanDerWaalsContact CG-CD 3.44Å; H69-R78 PolarHBondContact ND1-NE 3.03Å; H69-R78 PolarHBondContact ND1-NH2 3.33Å; H69-R78 PolarHBondContact NE2-NE 2.91Å |
| 70 | T | 66.8 | Low | 67.9 | Low | 92 Ų | 92 | 137.7 Ų | 137.7 | 56% | 0.564 | 67% | 0.672 | S | S | * | * | P | Polyproline II helix | trans | -59.2 | 121.6 | -175.6 | 71.7 | 0 | 0 | 0 | 0 | 106.9 | R68 R77 | R68-T70 PolarHBondContact O-N 2.82Å; T70-R77 PolarHBondContact O-NE 3.48Å; T70-R77 PolarHBondContact OG1-NE 2.84Å; T70-R77 PolarHBondContact OG1-NH1 3.2Å; T70-R77 PolarHBondContact OG1-NH2 2.87Å |
| 71 | K | 71.5 | Confident | 69.2 | Low | 126 Ų | 126 | 136 Ų | 136 | 55% | 0.548 | 65% | 0.654 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -79.6 | 151.3 | -173 | -67.3 | -174.4 | 168.1 | -151.1 | 0 | 110.5 | H69 G74 R75 R77 | H69-K71 PolarHBondContact O-N 3.28Å; K71-G74 PolarHBondContact NZ-O 3.34Å; K71-R75 WeakPolarHBondContact CA-O 3.41Å; K71-R77 PolarHBondContact O-NH2 3.29Å |
| 72 | V | 62.7 | Low | 71.2 | Confident | 76 Ų | 76 | 130.5 Ų | 130.5 | 46% | 0.461 | 64% | 0.64 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -133.2 | 130.3 | 165.5 | 161.6 | 0 | 0 | 0 | 0 | 106.1 | G74 R75 R77 | V72-G74 VanDerWaalsContact C-N 3.28Å; V72-G74 PolarHBondContact O-N 3.1Å; V72-R75 PolarHBondContact N-O 3.29Å; V72-R75 PolarHBondContact O-N 3.08Å; V72-R75 VanDerWaalsContact O-O 3.05Å; V72-R77 HydrophobicContact CB-CG 4.06Å; V72-R77 HydrophobicContact CG2-CG 3.94Å; V72-R77 VanDerWaalsContact CG2-CZ 3.47Å |
| 73 | E | 57.6 | Low | 72.8 | Confident | 143 Ų | 143 | 122.9 Ų | 122.9 | 67% | 0.668 | 63% | 0.629 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 50.3 | 45.1 | -176.4 | -159.2 | 47.7 | -124.7 | 0 | 0 | 113.7 | R75 N128 | E73-R75 PolarHBondContact O-N 2.87Å; E73-N128 PolarHBondContact OE2-ND2 3.2Å |
| 74 | G | 70.9 | Confident | 74.7 | Confident | 60 Ų | 60 | 124.3 Ų | 124.3 | 62% | 0.619 | 63% | 0.627 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 67.2 | -19.7 | -175.5 | 0 | 0 | 0 | 0 | 0 | 115.9 | K71 V72 | K71-G74 PolarHBondContact NZ-O 3.34Å; V72-G74 VanDerWaalsContact C-N 3.28Å; V72-G74 PolarHBondContact O-N 3.1Å |
| 75 | R | 71.4 | Confident | 76.7 | Confident | 204 Ų | 204 | 122.3 Ų | 122.3 | 77% | 0.77 | 61% | 0.612 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -84 | 152.9 | -178.1 | -168.7 | 174.8 | 174.8 | 111.3 | -3.6 | 111.2 | K71 V72 E73 | K71-R75 WeakPolarHBondContact CA-O 3.41Å; V72-R75 PolarHBondContact N-O 3.29Å; V72-R75 PolarHBondContact O-N 3.08Å; V72-R75 VanDerWaalsContact O-O 3.05Å; E73-R75 PolarHBondContact O-N 2.87Å |
| 76 | G | 72.2 | Confident | 78.5 | Confident | 39 Ų | 39 | 116 Ų | 116 | 40% | 0.402 | 58% | 0.576 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -73.9 | 135.8 | 174 | 0 | 0 | 0 | 0 | 0 | 111.3 | R78 | G76-R78 PolarHBondContact O-N 3.31Å |
| 77 | R | 79.8 | Confident | 79.9 | Confident | 132 Ų | 132 | 111 Ų | 111 | 50% | 0.498 | 56% | 0.564 | S | S | . | * | S | Bend | trans | -70.9 | -1.6 | 171.4 | -83.6 | -176.7 | -99.9 | -158.1 | -20.8 | 114.5 | T70 K71 V72 I79 | T70-R77 PolarHBondContact O-NE 3.48Å; T70-R77 PolarHBondContact OG1-NE 2.84Å; T70-R77 PolarHBondContact OG1-NH1 3.2Å; T70-R77 PolarHBondContact OG1-NH2 2.87Å; K71-R77 PolarHBondContact O-NH2 3.29Å; V72-R77 HydrophobicContact CB-CG 4.06Å; V72-R77 HydrophobicContact CG2-CG 3.94Å; V72-R77 VanDerWaalsContact CG2-CZ 3.47Å; R77-I79 PolarHBondContact O-N 2.97Å |
| 78 | R | 83.9 | Confident | 81.6 | Confident | 141 Ų | 141 | 116.6 Ų | 116.6 | 53% | 0.532 | 58% | 0.58 | S | S | . | * | | | trans | -77.5 | 118 | 178.2 | -74.2 | 170.8 | 145 | 177.8 | -8.5 | 110.9 | D67 H69 G76 | D67-R78 IonicContact OD1-CZ 3.54Å; D67-R78 IonicContact OD1-NH1 3.98Å; D67-R78 PolarHBondContact OD1-NH1 3.32Å; D67-R78 WeakPolarHBondContact OD2-CD 3.29Å; D67-R78 IonicContact OD2-CZ 3.61Å; D67-R78 IonicContact OD2-NE 3.83Å; D67-R78 IonicContact OD2-NH1 3.03Å; D67-R78 PolarHBondContact OD2-NH1 3.48Å; H69-R78 HydrophobicContact CB-CG 4.02Å; H69-R78 WeakPolarHBondContact CD2-CG 3.37Å; H69-R78 PolarHBondContact CD2-NE 2.98Å; H69-R78 VanDerWaalsContact CD2-NE 3.31Å; H69-R78 PolarHBondContact CE1-NE 2.75Å; H69-R78 PolarHBondContact CE1-NH2 3.41Å; H69-R78 VanDerWaalsContact CG-CD 3.44Å; H69-R78 PolarHBondContact ND1-NE 3.03Å; H69-R78 PolarHBondContact ND1-NH2 3.33Å; H69-R78 PolarHBondContact NE2-NE 2.91Å; G76-R78 PolarHBondContact O-N 3.31Å |
| 79 | I | 85.3 | Confident | 83.2 | Confident | 135 Ų | 135 | 105.7 Ų | 105.7 | 69% | 0.692 | 54% | 0.54 | S | S | * | . | | | trans | -90.3 | 133.9 | 169.5 | -52.5 | -54.6 | 0 | 0 | 0 | 109.1 | R77 M81 | R77-I79 PolarHBondContact O-N 2.97Å; I79-M81 HydrophobicContact CG2-SD 3.86Å |
| 80 | R | 92 | Very high | 84.4 | Confident | 243 Ų | 243 | 106.9 Ų | 106.9 | 92% | 0.917 | 54% | 0.544 | S | S | * | . | | | trans | -92.1 | 114.1 | 172 | -72 | 179.8 | 175.4 | -102.5 | 3.8 | 108.3 | | |
| 81 | M | 90.4 | Very high | 85.9 | Confident | 90 Ų | 90 | 107.7 Ų | 107.7 | 44% | 0.443 | 54% | 0.542 | S | S | . | . | | | trans | -93.6 | 136.9 | -177.4 | -66.3 | -61.6 | -77.4 | 0 | 0 | 111.8 | I79 C85 A86 | I79-M81 HydrophobicContact CG2-SD 3.86Å; M81-C85 HydrophobicContact CE-CB 4.01Å; M81-C85 WeakPolarHBondContact CE-SG 3.2Å; M81-A86 HydrophobicContact CB-CB 4.33Å |
| 82 | P | 96.4 | Very high | 87.1 | Confident | 91 Ų | 91 | 103.4 Ų | 103.4 | 59% | 0.591 | 53% | 0.525 | S | S | * | . | | | trans | -60.9 | 145.5 | 168.2 | -22.5 | 33.8 | 0 | 0 | 0 | 111.6 | L84 C85 A86 | P82-L84 VanDerWaalsContact C-N 3.33Å; P82-L84 PolarHBondContact O-N 3.45Å; P82-C85 PolarHBondContact O-N 2.89Å; P82-A86 PolarHBondContact O-N 3.08Å |
| 83 | A | 96.3 | Very high | 88.7 | Confident | 85 Ų | 85 | 100.4 Ų | 100.4 | 70% | 0.702 | 51% | 0.507 | S | S | * | . | H | α-helix | trans | -54.6 | -42.6 | -173.3 | 0 | 0 | 0 | 0 | 0 | 113.9 | C85 A86 A87 | A83-C85 VanDerWaalsContact C-N 3.31Å; A83-C85 PolarHBondContact O-N 3.4Å; A83-A86 PolarHBondContact O-N 3.04Å; A83-A87 WeakPolarHBondContact O-CB 3.47Å; A83-A87 PolarHBondContact O-N 3.35Å |
| 84 | L | 96.8 | Very high | 90.6 | Very high | 147 Ų | 147 | 103.7 Ų | 103.7 | 77% | 0.77 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -64.5 | -33.4 | 177.7 | -66 | 179.3 | 0 | 0 | 0 | 113.2 | P82 R88 | P82-L84 VanDerWaalsContact C-N 3.33Å; P82-L84 PolarHBondContact O-N 3.45Å; L84-R88 WeakPolarHBondContact O-CG 3.38Å; L84-R88 PolarHBondContact O-N 3.5Å |
| 85 | C | 96.4 | Very high | 91.8 | Very high | 54 Ų | 54 | 106.9 Ų | 106.9 | 37% | 0.365 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -77.8 | -42 | 178.2 | -166 | 0 | 0 | 0 | 0 | 110.6 | M81 P82 A83 A87 R88 V89 | M81-C85 HydrophobicContact CE-CB 4.01Å; M81-C85 WeakPolarHBondContact CE-SG 3.2Å; P82-C85 PolarHBondContact O-N 2.89Å; A83-C85 VanDerWaalsContact C-N 3.31Å; A83-C85 PolarHBondContact O-N 3.4Å; C85-A87 VanDerWaalsContact C-N 3.31Å; C85-A87 PolarHBondContact O-N 3.29Å; C85-R88 PolarHBondContact O-N 3.24Å; C85-V89 WeakPolarHBondContact O-CG2 3.35Å; C85-V89 PolarHBondContact O-N 2.93Å |
| 86 | A | 96 | Very high | 92.9 | Very high | 22 Ų | 22 | 100 Ų | 100 | 18% | 0.182 | 49% | 0.49 | C | S | . | . | H | α-helix | trans | -57.7 | -42.7 | 172.1 | 0 | 0 | 0 | 0 | 0 | 111.9 | M81 P82 A83 R88 V89 F90 | M81-A86 HydrophobicContact CB-CB 4.33Å; P82-A86 PolarHBondContact O-N 3.08Å; A83-A86 PolarHBondContact O-N 3.04Å; A86-R88 VanDerWaalsContact C-N 3.35Å; A86-R88 PolarHBondContact O-N 2.92Å; A86-V89 PolarHBondContact O-N 3.22Å; A86-F90 HydrophobicContact CB-CD2 4.46Å; A86-F90 HydrophobicContact CB-CE2 3.94Å; A86-F90 HydrophobicContact CB-CZ 4.48Å; A86-F90 WeakPolarHBondContact O-CD2 3.48Å; A86-F90 VanDerWaalsContact O-CG 3.28Å; A86-F90 WeakPolarHBondContact O-CG 3.32Å; A86-F90 PolarHBondContact O-N 3.22Å |
| 87 | A | 96.5 | Very high | 94 | Very high | 53 Ų | 53 | 101.1 Ų | 101.1 | 44% | 0.438 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -57.8 | -43.2 | 175.3 | 0 | 0 | 0 | 0 | 0 | 112.9 | A83 C85 F90 Q91 | A83-A87 WeakPolarHBondContact O-CB 3.47Å; A83-A87 PolarHBondContact O-N 3.35Å; C85-A87 VanDerWaalsContact C-N 3.31Å; C85-A87 PolarHBondContact O-N 3.29Å; A87-F90 PolarHBondContact O-N 3.08Å; A87-Q91 WeakPolarHBondContact O-CB 3.49Å; A87-Q91 PolarHBondContact O-N 3.4Å |
| 88 | R | 96.9 | Very high | 94.8 | Very high | 191 Ų | 191 | 97.4 Ų | 97.4 | 72% | 0.721 | 49% | 0.489 | S | S | * | . | H | α-helix | trans | -65.8 | -39.7 | 174.8 | -70.3 | -179.3 | -175.7 | -172.6 | 0.6 | 112.5 | L84 C85 A86 Q91 L92 | L84-R88 WeakPolarHBondContact O-CG 3.38Å; L84-R88 PolarHBondContact O-N 3.5Å; C85-R88 PolarHBondContact O-N 3.24Å; A86-R88 VanDerWaalsContact C-N 3.35Å; A86-R88 PolarHBondContact O-N 2.92Å; R88-Q91 PolarHBondContact O-N 3.04Å; R88-L92 WeakPolarHBondContact O-CB 3.18Å; R88-L92 PolarHBondContact O-N 2.88Å |
| 89 | V | 97 | Very high | 95.3 | Very high | 14 Ų | 14 | 99.6 Ų | 99.6 | 9% | 0.085 | 50% | 0.503 | C | S | . | . | H | α-helix | trans | -63.6 | -47.8 | 175 | 175.3 | 0 | 0 | 0 | 0 | 110.3 | C85 A86 Q91 L92 T93 D101 T104 I105 | C85-V89 WeakPolarHBondContact O-CG2 3.35Å; C85-V89 PolarHBondContact O-N 2.93Å; A86-V89 PolarHBondContact O-N 3.22Å; V89-Q91 VanDerWaalsContact C-N 3.27Å; V89-Q91 PolarHBondContact O-N 2.94Å; V89-L92 PolarHBondContact O-N 2.72Å; V89-L92 VanDerWaalsContact O-N 3.17Å; V89-T93 WeakPolarHBondContact O-CB 3.32Å; V89-T93 PolarHBondContact O-N 2.86Å; V89-T93 PolarHBondContact O-OG1 3.47Å; V89-D101 HydrophobicContact CG1-CB 4Å; V89-T104 HydrophobicContact CG1-CG2 4.16Å; V89-I105 HydrophobicContact CG1-CD1 4.33Å; V89-I105 HydrophobicContact CG1-CG1 4.49Å; V89-I105 HydrophobicContact CG2-CD1 3.99Å |
| 90 | F | 96.2 | Very high | 95.7 | Very high | 106 Ų | 106 | 96.5 Ų | 96.5 | 47% | 0.465 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -61.7 | -33.3 | 177.1 | -63.1 | -46.2 | 0 | 0 | 0 | 113.4 | A86 A87 R94 D101 | A86-F90 HydrophobicContact CB-CD2 4.46Å; A86-F90 HydrophobicContact CB-CE2 3.94Å; A86-F90 HydrophobicContact CB-CZ 4.48Å; A86-F90 WeakPolarHBondContact O-CD2 3.48Å; A86-F90 VanDerWaalsContact O-CG 3.28Å; A86-F90 WeakPolarHBondContact O-CG 3.32Å; A86-F90 PolarHBondContact O-N 3.22Å; A87-F90 PolarHBondContact O-N 3.08Å; F90-R94 WeakPolarHBondContact O-CG 3.4Å; F90-R94 PolarHBondContact O-N 3.06Å; F90-D101 WeakPolarHBondContact CD1-OD1 3.49Å; F90-D101 WeakPolarHBondContact CE1-OD2 3.14Å |
| 91 | Q | 97.3 | Very high | 95.7 | Very high | 109 Ų | 109 | 87.9 Ų | 87.9 | 51% | 0.509 | 46% | 0.462 | S | S | . | . | H | α-helix | trans | -66.2 | -52.5 | 172.1 | 175.7 | 169.5 | 0.3 | 0 | 0 | 110.6 | A87 R88 V89 T93 R94 E95 | A87-Q91 WeakPolarHBondContact O-CB 3.49Å; A87-Q91 PolarHBondContact O-N 3.4Å; R88-Q91 PolarHBondContact O-N 3.04Å; V89-Q91 VanDerWaalsContact C-N 3.27Å; V89-Q91 PolarHBondContact O-N 2.94Å; Q91-T93 VanDerWaalsContact C-N 3.33Å; Q91-T93 PolarHBondContact O-N 3.26Å; Q91-R94 WeakPolarHBondContact O-CB 3.42Å; Q91-R94 PolarHBondContact O-N 2.75Å; Q91-E95 HydrophobicContact CG-CG 4.44Å; Q91-E95 WeakPolarHBondContact CG-OE1 3.34Å; Q91-E95 PolarHBondContact NE2-OE1 2.95Å; Q91-E95 WeakPolarHBondContact O-CG 3.46Å; Q91-E95 PolarHBondContact O-N 3.12Å |
| 92 | L | 97.3 | Very high | 95.8 | Very high | 36 Ų | 36 | 85.9 Ų | 85.9 | 19% | 0.188 | 47% | 0.465 | C | S | . | . | H | α-helix | trans | -62.6 | -36.8 | 180 | -172.9 | 66.4 | 0 | 0 | 0 | 112.8 | R88 V89 R94 E95 L96 T104 W107 L108 | R88-L92 WeakPolarHBondContact O-CB 3.18Å; R88-L92 PolarHBondContact O-N 2.88Å; V89-L92 PolarHBondContact O-N 2.72Å; V89-L92 VanDerWaalsContact O-N 3.17Å; L92-R94 PolarHBondContact O-N 3.19Å; L92-E95 PolarHBondContact O-N 3.46Å; L92-L96 HydrophobicContact CD1-CD1 3.99Å; L92-L96 HydrophobicContact CD1-CD2 4.41Å; L92-L96 HydrophobicContact CD1-CG 3.92Å; L92-L96 HydrophobicContact CD2-CD1 4.23Å; L92-L96 HydrophobicContact CG-CD1 3.74Å; L92-L96 HydrophobicContact CG-CG 4.07Å; L92-L96 WeakPolarHBondContact O-CB 3.45Å; L92-L96 WeakPolarHBondContact O-CG 3.37Å; L92-L96 PolarHBondContact O-N 3.36Å; L92-T104 HydrophobicContact CB-CG2 4Å; L92-T104 HydrophobicContact CD2-CG2 3.75Å; L92-T104 HydrophobicContact CG-CG2 3.85Å; L92-W107 HydrophobicContact CD1-CZ3 4.49Å; L92-W107 HydrophobicContact CD2-CE3 4.25Å; L92-W107 HydrophobicContact CD2-CZ3 3.96Å; L92-L108 HydrophobicContact CD2-CD1 3.95Å; L92-L108 HydrophobicContact CD2-CD2 3.79Å; L92-L108 HydrophobicContact CD2-CG 3.89Å |
| 93 | T | 96.7 | Very high | 95.8 | Very high | 14 Ų | 14 | 85 Ų | 85 | 9% | 0.086 | 45% | 0.453 | C | S | . | . | H | α-helix | trans | -55.9 | -39 | 172.8 | -60.5 | 0 | 0 | 0 | 0 | 111.2 | V89 Q91 G97 H98 D101 T104 | V89-T93 WeakPolarHBondContact O-CB 3.32Å; V89-T93 PolarHBondContact O-N 2.86Å; V89-T93 PolarHBondContact O-OG1 3.47Å; Q91-T93 VanDerWaalsContact C-N 3.33Å; Q91-T93 PolarHBondContact O-N 3.26Å; T93-G97 PolarHBondContact O-N 3.36Å; T93-H98 HydrophobicContact CG2-CB 4.12Å; T93-H98 WeakPolarHBondContact CG2-O 3.42Å; T93-H98 PolarHBondContact O-N 3.04Å; T93-D101 PolarHBondContact OG1-OD1 3.05Å; T93-T104 WeakPolarHBondContact CA-OG1 3.39Å; T93-T104 WeakPolarHBondContact CB-OG1 3.43Å; T93-T104 WeakPolarHBondContact OG1-CB 3.48Å; T93-T104 PolarHBondContact OG1-OG1 3.31Å |
| 94 | R | 96.3 | Very high | 95.8 | Very high | 212 Ų | 212 | 81 Ų | 81 | 80% | 0.8 | 42% | 0.42 | S | S | * | . | H | α-helix | trans | -75.2 | -39 | 176.4 | -64.8 | 169.3 | -174.5 | -172.4 | 1.3 | 112.5 | F90 Q91 L92 G97 | F90-R94 WeakPolarHBondContact O-CG 3.4Å; F90-R94 PolarHBondContact O-N 3.06Å; Q91-R94 WeakPolarHBondContact O-CB 3.42Å; Q91-R94 PolarHBondContact O-N 2.75Å; L92-R94 PolarHBondContact O-N 3.19Å; R94-G97 PolarHBondContact O-N 2.98Å |
| 95 | E | 96.5 | Very high | 95.6 | Very high | 127 Ų | 127 | 77.2 Ų | 77.2 | 59% | 0.593 | 40% | 0.4 | S | S | * | . | H | α-helix | trans | -69.2 | -36.1 | -179.8 | -70.2 | 170.6 | -177.1 | 0 | 0 | 112.4 | Q91 L92 | Q91-E95 HydrophobicContact CG-CG 4.44Å; Q91-E95 WeakPolarHBondContact CG-OE1 3.34Å; Q91-E95 PolarHBondContact NE2-OE1 2.95Å; Q91-E95 WeakPolarHBondContact O-CG 3.46Å; Q91-E95 PolarHBondContact O-N 3.12Å; L92-E95 PolarHBondContact O-N 3.46Å |
| 96 | L | 95.5 | Very high | 95.4 | Very high | 60 Ų | 60 | 80.3 Ų | 80.3 | 31% | 0.314 | 41% | 0.409 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -83.2 | -11.4 | 175.4 | -62.9 | 177.1 | 0 | 0 | 0 | 113.8 | L92 H98 T104 W107 | L92-L96 HydrophobicContact CD1-CD1 3.99Å; L92-L96 HydrophobicContact CD1-CD2 4.41Å; L92-L96 HydrophobicContact CD1-CG 3.92Å; L92-L96 HydrophobicContact CD2-CD1 4.23Å; L92-L96 HydrophobicContact CG-CD1 3.74Å; L92-L96 HydrophobicContact CG-CG 4.07Å; L92-L96 WeakPolarHBondContact O-CB 3.45Å; L92-L96 WeakPolarHBondContact O-CG 3.37Å; L92-L96 PolarHBondContact O-N 3.36Å; L96-H98 VanDerWaalsContact C-N 3.28Å; L96-H98 VanDerWaalsContact CD1-CE1 3.48Å; L96-H98 WeakPolarHBondContact CD1-CE1 3.29Å; L96-H98 PolarHBondContact O-N 3.41Å; L96-T104 HydrophobicContact CD1-CG2 4.46Å; L96-W107 HydrophobicContact CD1-CD2 3.63Å; L96-W107 HydrophobicContact CD1-CE3 3.6Å; L96-W107 HydrophobicContact CD1-CG 4.1Å; L96-W107 HydrophobicContact CD1-CH2 4.4Å; L96-W107 HydrophobicContact CD1-CZ2 4.43Å; L96-W107 HydrophobicContact CD1-CZ3 4.01Å; L96-W107 HydrophobicContact CD2-CH2 4.34Å; L96-W107 HydrophobicContact CD2-CZ2 4.06Å |
| 97 | G | 95.7 | Very high | 95.4 | Very high | 61 Ų | 61 | 83.2 Ų | 83.2 | 63% | 0.629 | 42% | 0.415 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 69.7 | 21 | -175.1 | 0 | 0 | 0 | 0 | 0 | 114.5 | T93 R94 | T93-G97 PolarHBondContact O-N 3.36Å; R94-G97 PolarHBondContact O-N 2.98Å |
| 98 | H | 96.1 | Very high | 95.4 | Very high | 55 Ų | 55 | 83.8 Ų | 83.8 | 26% | 0.255 | 41% | 0.41 | S | S | . | . | | | trans | -71.1 | 150.5 | 176.7 | -68.2 | 171.1 | 0 | 0 | 0 | 111.7 | T93 L96 E103 T104 W107 | T93-H98 HydrophobicContact CG2-CB 4.12Å; T93-H98 WeakPolarHBondContact CG2-O 3.42Å; T93-H98 PolarHBondContact O-N 3.04Å; L96-H98 VanDerWaalsContact C-N 3.28Å; L96-H98 VanDerWaalsContact CD1-CE1 3.48Å; L96-H98 WeakPolarHBondContact CD1-CE1 3.29Å; L96-H98 PolarHBondContact O-N 3.41Å; H98-E103 HydrophobicContact CB-CB 4.08Å; H98-T104 WeakPolarHBondContact ND1-CA 3.36Å; H98-T104 PolarHBondContact ND1-N 3.29Å; H98-T104 PolarHBondContact ND1-OG1 3.29Å; H98-W107 AromaticContact CE1-CG 3.98Å |
| 99 | K | 94.2 | Very high | 95.2 | Very high | 186 Ų | 186 | 79 Ų | 79 | 81% | 0.809 | 40% | 0.398 | S | S | * | . | S | Bend | trans | -87.1 | -24.7 | -177 | -64.3 | 167.3 | -175.2 | 165.7 | 0 | 111.7 | E103 | K99-E103 WeakPolarHBondContact CA-OE2 3.41Å; K99-E103 WeakPolarHBondContact CB-OE2 3.4Å; K99-E103 PolarHBondContact N-OE2 3.5Å |
| 100 | T | 92.9 | Very high | 94.9 | Very high | 71 Ų | 71 | 83.1 Ų | 83.1 | 44% | 0.436 | 42% | 0.417 | S | S | . | . | S | Bend | trans | -139.4 | 150.2 | -175.7 | 69 | 0 | 0 | 0 | 0 | 111.2 | G102 E103 T104 | T100-G102 PolarHBondContact O-N 3.04Å; T100-E103 PolarHBondContact N-OE2 3.44Å; T100-E103 PolarHBondContact O-N 3.43Å; T100-E103 WeakPolarHBondContact OG1-CG 3.41Å; T100-E103 PolarHBondContact OG1-N 3.46Å; T100-E103 PolarHBondContact OG1-OE2 3.36Å; T100-E103 VanDerWaalsContact OG1-OE2 3.05Å; T100-T104 PolarHBondContact O-N 3.34Å |
| 101 | D | 93.6 | Very high | 94.8 | Very high | 61 Ų | 61 | 83.9 Ų | 83.9 | 33% | 0.326 | 42% | 0.422 | S | S | . | . | H | α-helix | trans | -65.3 | -21 | 174.1 | -51.2 | -57.4 | 0 | 0 | 0 | 112.3 | V89 F90 T93 T104 I105 | V89-D101 HydrophobicContact CG1-CB 4Å; F90-D101 WeakPolarHBondContact CD1-OD1 3.49Å; F90-D101 WeakPolarHBondContact CE1-OD2 3.14Å; T93-D101 PolarHBondContact OG1-OD1 3.05Å; D101-T104 PolarHBondContact O-N 3.34Å; D101-I105 VanDerWaalsContact O-CG1 3.26Å; D101-I105 WeakPolarHBondContact O-CG1 3.26Å; D101-I105 PolarHBondContact O-N 2.87Å |
| 102 | G | 92.4 | Very high | 94.5 | Very high | 48 Ų | 48 | 80.4 Ų | 80.4 | 50% | 0.495 | 41% | 0.411 | S | S | . | . | H | α-helix | trans | -61.5 | -45.9 | 173.5 | 0 | 0 | 0 | 0 | 0 | 112.2 | T100 T104 I105 E106 | T100-G102 PolarHBondContact O-N 3.04Å; G102-T104 VanDerWaalsContact C-N 3.34Å; G102-T104 PolarHBondContact O-N 3.22Å; G102-I105 PolarHBondContact O-N 2.77Å; G102-E106 WeakPolarHBondContact O-CB 3.29Å; G102-E106 PolarHBondContact O-N 3.47Å |
| 103 | E | 94.6 | Very high | 94.1 | Very high | 74 Ų | 74 | 83 Ų | 83 | 35% | 0.346 | 42% | 0.423 | S | S | . | . | H | α-helix | trans | -62.9 | -40.2 | 175.2 | -67.5 | 158.3 | 145 | 0 | 0 | 111.1 | H98 K99 T100 E106 W107 | H98-E103 HydrophobicContact CB-CB 4.08Å; K99-E103 WeakPolarHBondContact CA-OE2 3.41Å; K99-E103 WeakPolarHBondContact CB-OE2 3.4Å; K99-E103 PolarHBondContact N-OE2 3.5Å; T100-E103 PolarHBondContact N-OE2 3.44Å; T100-E103 PolarHBondContact O-N 3.43Å; T100-E103 WeakPolarHBondContact OG1-CG 3.41Å; T100-E103 PolarHBondContact OG1-N 3.46Å; T100-E103 PolarHBondContact OG1-OE2 3.36Å; T100-E103 VanDerWaalsContact OG1-OE2 3.05Å; E103-E106 PolarHBondContact O-N 3.31Å; E103-W107 WeakPolarHBondContact O-CB 3.42Å; E103-W107 PolarHBondContact O-N 3.25Å |
| 104 | T | 96.7 | Very high | 93.8 | Very high | 0 Ų | 0 | 86.9 Ų | 86.9 | 0% | 0 | 45% | 0.448 | C | S | . | . | H | α-helix | trans | -64.9 | -39.6 | 175.8 | -54.4 | 0 | 0 | 0 | 0 | 112.7 | V89 L92 T93 L96 H98 T100 D101 G102 L108 | V89-T104 HydrophobicContact CG1-CG2 4.16Å; L92-T104 HydrophobicContact CB-CG2 4Å; L92-T104 HydrophobicContact CD2-CG2 3.75Å; L92-T104 HydrophobicContact CG-CG2 3.85Å; T93-T104 WeakPolarHBondContact CA-OG1 3.39Å; T93-T104 WeakPolarHBondContact CB-OG1 3.43Å; T93-T104 WeakPolarHBondContact OG1-CB 3.48Å; T93-T104 PolarHBondContact OG1-OG1 3.31Å; L96-T104 HydrophobicContact CD1-CG2 4.46Å; H98-T104 WeakPolarHBondContact ND1-CA 3.36Å; H98-T104 PolarHBondContact ND1-N 3.29Å; H98-T104 PolarHBondContact ND1-OG1 3.29Å; T100-T104 PolarHBondContact O-N 3.34Å; D101-T104 PolarHBondContact O-N 3.34Å; G102-T104 VanDerWaalsContact C-N 3.34Å; G102-T104 PolarHBondContact O-N 3.22Å; T104-L108 HydrophobicContact CG2-CD1 4.47Å; T104-L108 WeakPolarHBondContact O-CB 3.42Å; T104-L108 VanDerWaalsContact O-CG 3.29Å; T104-L108 WeakPolarHBondContact O-CG 3.41Å; T104-L108 PolarHBondContact O-N 3.48Å |
| 105 | I | 93.7 | Very high | 93.6 | Very high | 68 Ų | 68 | 79.9 Ų | 79.9 | 35% | 0.349 | 44% | 0.436 | S | S | . | . | H | α-helix | trans | -70.1 | -39.1 | 174.7 | -66.4 | -67.1 | 0 | 0 | 0 | 111.1 | V89 D101 G102 L108 L109 | V89-I105 HydrophobicContact CG1-CD1 4.33Å; V89-I105 HydrophobicContact CG1-CG1 4.49Å; V89-I105 HydrophobicContact CG2-CD1 3.99Å; D101-I105 VanDerWaalsContact O-CG1 3.26Å; D101-I105 WeakPolarHBondContact O-CG1 3.26Å; D101-I105 PolarHBondContact O-N 2.87Å; G102-I105 PolarHBondContact O-N 2.77Å; I105-L108 HydrophobicContact CD1-CD1 4.29Å; I105-L108 PolarHBondContact O-N 3.18Å; I105-L109 HydrophobicContact CG2-CD1 4.12Å; I105-L109 VanDerWaalsContact O-CG 3.29Å; I105-L109 WeakPolarHBondContact O-CG 3.48Å; I105-L109 PolarHBondContact O-N 3.21Å |
| 106 | E | 92.4 | Very high | 93.2 | Very high | 119 Ų | 119 | 75.7 Ų | 75.7 | 56% | 0.556 | 42% | 0.418 | S | S | * | . | H | α-helix | trans | -61.9 | -47.1 | 174.8 | -175.3 | 174.7 | 171.8 | 0 | 0 | 111.5 | G102 E103 L108 L109 Q110 | G102-E106 WeakPolarHBondContact O-CB 3.29Å; G102-E106 PolarHBondContact O-N 3.47Å; E103-E106 PolarHBondContact O-N 3.31Å; E106-L108 PolarHBondContact O-N 2.91Å; E106-L109 WeakPolarHBondContact O-CB 3.32Å; E106-L109 PolarHBondContact O-N 3.26Å; E106-L109 VanDerWaalsContact O-N 3.12Å; E106-Q110 WeakPolarHBondContact O-CG 3.37Å; E106-Q110 PolarHBondContact O-N 3.05Å |
| 107 | W | 96 | Very high | 92.7 | Very high | 82 Ų | 82 | 76.5 Ų | 76.5 | 31% | 0.311 | 42% | 0.422 | S | S | . | . | H | α-helix | trans | -59.6 | -44.1 | 174.2 | -179.8 | 90.8 | 0 | 0 | 0 | 112.3 | L92 L96 H98 E103 L109 Q110 Q111 | L92-W107 HydrophobicContact CD1-CZ3 4.49Å; L92-W107 HydrophobicContact CD2-CE3 4.25Å; L92-W107 HydrophobicContact CD2-CZ3 3.96Å; L96-W107 HydrophobicContact CD1-CD2 3.63Å; L96-W107 HydrophobicContact CD1-CE3 3.6Å; L96-W107 HydrophobicContact CD1-CG 4.1Å; L96-W107 HydrophobicContact CD1-CH2 4.4Å; L96-W107 HydrophobicContact CD1-CZ2 4.43Å; L96-W107 HydrophobicContact CD1-CZ3 4.01Å; L96-W107 HydrophobicContact CD2-CH2 4.34Å; L96-W107 HydrophobicContact CD2-CZ2 4.06Å; H98-W107 AromaticContact CE1-CG 3.98Å; E103-W107 WeakPolarHBondContact O-CB 3.42Å; E103-W107 PolarHBondContact O-N 3.25Å; W107-L109 VanDerWaalsContact C-N 3.27Å; W107-L109 PolarHBondContact O-N 3.44Å; W107-Q110 PolarHBondContact O-N 3.12Å; W107-Q111 HydrophobicContact CD2-CG 3.98Å; W107-Q111 HydrophobicContact CE3-CG 4.16Å; W107-Q111 HydrophobicContact CH2-CG 3.93Å; W107-Q111 HydrophobicContact CZ2-CG 3.73Å; W107-Q111 HydrophobicContact CZ3-CG 4.13Å; W107-Q111 WeakPolarHBondContact O-CG 3.47Å; W107-Q111 PolarHBondContact O-N 3.46Å |
| 108 | L | 95.4 | Very high | 92.3 | Very high | 66 Ų | 66 | 77.9 Ų | 77.9 | 35% | 0.346 | 43% | 0.428 | S | S | . | . | H | α-helix | trans | -60.5 | -36.8 | 174.5 | -80 | 169.7 | 0 | 0 | 0 | 112.2 | L92 T104 I105 E106 A112 | L92-L108 HydrophobicContact CD2-CD1 3.95Å; L92-L108 HydrophobicContact CD2-CD2 3.79Å; L92-L108 HydrophobicContact CD2-CG 3.89Å; T104-L108 HydrophobicContact CG2-CD1 4.47Å; T104-L108 WeakPolarHBondContact O-CB 3.42Å; T104-L108 VanDerWaalsContact O-CG 3.29Å; T104-L108 WeakPolarHBondContact O-CG 3.41Å; T104-L108 PolarHBondContact O-N 3.48Å; I105-L108 HydrophobicContact CD1-CD1 4.29Å; I105-L108 PolarHBondContact O-N 3.18Å; E106-L108 PolarHBondContact O-N 2.91Å; L108-A112 WeakPolarHBondContact O-CB 3.44Å; L108-A112 PolarHBondContact O-N 3.48Å |
| 109 | L | 92.4 | Very high | 91.8 | Very high | 90 Ų | 90 | 79.4 Ų | 79.4 | 47% | 0.471 | 45% | 0.45 | S | S | . | . | H | α-helix | trans | -71.7 | -34.5 | 176.8 | -72.3 | 170.3 | 0 | 0 | 0 | 112.6 | I105 E106 W107 A112 E113 | I105-L109 HydrophobicContact CG2-CD1 4.12Å; I105-L109 VanDerWaalsContact O-CG 3.29Å; I105-L109 WeakPolarHBondContact O-CG 3.48Å; I105-L109 PolarHBondContact O-N 3.21Å; E106-L109 WeakPolarHBondContact O-CB 3.32Å; E106-L109 PolarHBondContact O-N 3.26Å; E106-L109 VanDerWaalsContact O-N 3.12Å; W107-L109 VanDerWaalsContact C-N 3.27Å; W107-L109 PolarHBondContact O-N 3.44Å; L109-A112 PolarHBondContact O-N 2.86Å; L109-E113 PolarHBondContact O-N 2.8Å |
| 110 | Q | 91.8 | Very high | 91.3 | Very high | 101 Ų | 101 | 73.5 Ų | 73.5 | 47% | 0.472 | 43% | 0.429 | S | S | . | . | H | α-helix | trans | -65.8 | -48.2 | 171.8 | -68.2 | 169.9 | 5.5 | 0 | 0 | 111.1 | E106 W107 A112 E113 | E106-Q110 WeakPolarHBondContact O-CG 3.37Å; E106-Q110 PolarHBondContact O-N 3.05Å; W107-Q110 PolarHBondContact O-N 3.12Å; Q110-A112 VanDerWaalsContact C-N 3.27Å; Q110-A112 PolarHBondContact O-N 3.05Å; Q110-E113 WeakPolarHBondContact O-CB 3.33Å; Q110-E113 PolarHBondContact O-N 3.04Å; Q110-E113 VanDerWaalsContact O-N 3.08Å |
| 111 | Q | 92.6 | Very high | 90.5 | Very high | 122 Ų | 122 | 73 Ų | 73 | 57% | 0.57 | 44% | 0.438 | S | S | * | . | H | α-helix | trans | -64.8 | -31.6 | 176.6 | -63.6 | -55.2 | -49.5 | 0 | 0 | 112.5 | W107 E113 | W107-Q111 HydrophobicContact CD2-CG 3.98Å; W107-Q111 HydrophobicContact CE3-CG 4.16Å; W107-Q111 HydrophobicContact CH2-CG 3.93Å; W107-Q111 HydrophobicContact CZ2-CG 3.73Å; W107-Q111 HydrophobicContact CZ3-CG 4.13Å; W107-Q111 WeakPolarHBondContact O-CG 3.47Å; W107-Q111 PolarHBondContact O-N 3.46Å; Q111-E113 VanDerWaalsContact C-N 3.33Å |
| 112 | A | 92.2 | Very high | 89.5 | Confident | 35 Ų | 35 | 71.6 Ų | 71.6 | 29% | 0.289 | 43% | 0.432 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -81.4 | -6.4 | 174.8 | 0 | 0 | 0 | 0 | 0 | 113.9 | L108 L109 Q110 P114 A115 V116 | L108-A112 WeakPolarHBondContact O-CB 3.44Å; L108-A112 PolarHBondContact O-N 3.48Å; L109-A112 PolarHBondContact O-N 2.86Å; Q110-A112 VanDerWaalsContact C-N 3.27Å; Q110-A112 PolarHBondContact O-N 3.05Å; A112-P114 VanDerWaalsContact C-CD 3.49Å; A112-A115 WeakPolarHBondContact O-CA 3.41Å; A112-A115 WeakPolarHBondContact O-CB 3.42Å; A112-A115 PolarHBondContact O-N 3.39Å; A112-V116 HydrophobicContact CB-CG2 4.26Å; A112-V116 WeakPolarHBondContact O-CG2 3.42Å; A112-V116 PolarHBondContact O-N 3.21Å |
| 113 | E | 89.6 | Confident | 88.8 | Confident | 92 Ų | 92 | 69.9 Ų | 69.9 | 43% | 0.43 | 41% | 0.414 | S | S | . | . | H | α-helix | trans | -51.7 | -45.7 | -175.8 | 179.7 | 174.2 | -170 | 0 | 0 | 113.4 | L109 Q110 Q111 A115 V116 I117 | L109-E113 PolarHBondContact O-N 2.8Å; Q110-E113 WeakPolarHBondContact O-CB 3.33Å; Q110-E113 PolarHBondContact O-N 3.04Å; Q110-E113 VanDerWaalsContact O-N 3.08Å; Q111-E113 VanDerWaalsContact C-N 3.33Å; E113-A115 VanDerWaalsContact C-N 3.28Å; E113-A115 PolarHBondContact O-N 3.27Å; E113-V116 PolarHBondContact O-N 2.77Å; E113-I117 HydrophobicContact CG-CD1 3.65Å; E113-I117 HydrophobicContact CG-CG1 4.17Å; E113-I117 WeakPolarHBondContact O-CB 3.32Å; E113-I117 WeakPolarHBondContact O-CG1 3.45Å; E113-I117 PolarHBondContact O-N 3.18Å |
| 114 | P | 89.3 | Confident | 87.8 | Confident | 95 Ų | 95 | 71.1 Ų | 71.1 | 62% | 0.617 | 43% | 0.427 | S | S | * | . | H | α-helix | trans | -59.6 | -38.2 | 177.2 | -23.6 | 34.9 | 0 | 0 | 0 | 113 | A112 A118 | A112-P114 VanDerWaalsContact C-CD 3.49Å; P114-A118 WeakPolarHBondContact O-CB 3.5Å; P114-A118 PolarHBondContact O-N 3.43Å |
| 115 | A | 91.4 | Very high | 86.5 | Confident | 65 Ų | 65 | 75.3 Ų | 75.3 | 54% | 0.537 | 45% | 0.448 | S | S | . | . | H | α-helix | trans | -73.7 | -38.3 | 177.8 | 0 | 0 | 0 | 0 | 0 | 112 | A112 E113 A118 A119 | A112-A115 WeakPolarHBondContact O-CA 3.41Å; A112-A115 WeakPolarHBondContact O-CB 3.42Å; A112-A115 PolarHBondContact O-N 3.39Å; E113-A115 VanDerWaalsContact C-N 3.28Å; E113-A115 PolarHBondContact O-N 3.27Å; A115-A118 PolarHBondContact O-N 3.08Å; A115-A119 VanDerWaalsContact O-CB 3.32Å; A115-A119 WeakPolarHBondContact O-CB 3.5Å; A115-A119 PolarHBondContact O-N 3.14Å |
| 116 | V | 88 | Confident | 85.1 | Confident | 38 Ų | 38 | 76 Ų | 76 | 23% | 0.23 | 46% | 0.458 | C | S | . | . | H | α-helix | trans | -66.3 | -41.2 | 176.1 | 174.4 | 0 | 0 | 0 | 0 | 110.8 | A112 E113 A119 T120 G123 | A112-V116 HydrophobicContact CB-CG2 4.26Å; A112-V116 WeakPolarHBondContact O-CG2 3.42Å; A112-V116 PolarHBondContact O-N 3.21Å; E113-V116 PolarHBondContact O-N 2.77Å; V116-A119 PolarHBondContact O-N 2.87Å; V116-T120 WeakPolarHBondContact O-CB 3.37Å; V116-T120 PolarHBondContact O-N 3.21Å; V116-T120 PolarHBondContact O-OG1 3.13Å; V116-G123 WeakPolarHBondContact CG1-O 3.37Å |
| 117 | I | 86.7 | Confident | 83.7 | Confident | 78 Ų | 78 | 73.5 Ų | 73.5 | 40% | 0.4 | 46% | 0.457 | S | S | . | . | H | α-helix | trans | -63.2 | -50 | 173.9 | -68.5 | 170.3 | 0 | 0 | 0 | 110.2 | E113 A119 T120 G121 | E113-I117 HydrophobicContact CG-CD1 3.65Å; E113-I117 HydrophobicContact CG-CG1 4.17Å; E113-I117 WeakPolarHBondContact O-CB 3.32Å; E113-I117 WeakPolarHBondContact O-CG1 3.45Å; E113-I117 PolarHBondContact O-N 3.18Å; I117-A119 VanDerWaalsContact C-N 3.27Å; I117-A119 PolarHBondContact O-N 3.01Å; I117-T120 PolarHBondContact O-N 3.3Å; I117-G121 WeakPolarHBondContact O-CA 3.41Å; I117-G121 PolarHBondContact O-N 3.06Å |
| 118 | A | 87.2 | Confident | 82 | Confident | 89 Ų | 89 | 73.8 Ų | 73.8 | 74% | 0.736 | 47% | 0.465 | S | S | * | . | H | α-helix | trans | -59.6 | -36.1 | 179.5 | 0 | 0 | 0 | 0 | 0 | 113 | P114 A115 | P114-A118 WeakPolarHBondContact O-CB 3.5Å; P114-A118 PolarHBondContact O-N 3.43Å; A115-A118 PolarHBondContact O-N 3.08Å |
| 119 | A | 84.8 | Confident | 80.1 | Confident | 88 Ų | 88 | 79.2 Ų | 79.2 | 73% | 0.727 | 49% | 0.486 | S | S | * | . | H | α-helix | trans | -81.2 | -32.7 | 178.9 | 0 | 0 | 0 | 0 | 0 | 114.3 | A115 V116 I117 | A115-A119 VanDerWaalsContact O-CB 3.32Å; A115-A119 WeakPolarHBondContact O-CB 3.5Å; A115-A119 PolarHBondContact O-N 3.14Å; V116-A119 PolarHBondContact O-N 2.87Å; I117-A119 VanDerWaalsContact C-N 3.27Å; I117-A119 PolarHBondContact O-N 3.01Å |
| 120 | T | 83.2 | Confident | 78.4 | Confident | 61 Ų | 61 | 76.2 Ų | 76.2 | 37% | 0.374 | 47% | 0.471 | S | S | . | . | H | α-helix | trans | -109.1 | -25.9 | -167.9 | -39 | 0 | 0 | 0 | 0 | 113.3 | V116 I117 T122 R137 | V116-T120 WeakPolarHBondContact O-CB 3.37Å; V116-T120 PolarHBondContact O-N 3.21Å; V116-T120 PolarHBondContact O-OG1 3.13Å; I117-T120 PolarHBondContact O-N 3.3Å; T120-T122 PolarHBondContact O-N 3.31Å; T120-R137 PolarHBondContact O-NH2 2.98Å |
| 121 | G | 77.4 | Confident | 76.5 | Confident | 60 Ų | 60 | 74.8 Ų | 74.8 | 62% | 0.619 | 47% | 0.472 | S | S | * | . | S | Bend | trans | 71.4 | -7.9 | -171.3 | 0 | 0 | 0 | 0 | 0 | 115.1 | I117 | I117-G121 WeakPolarHBondContact O-CA 3.41Å; I117-G121 PolarHBondContact O-N 3.06Å |
| 122 | T | 72.5 | Confident | 74.6 | Confident | 32 Ų | 32 | 76.2 Ų | 76.2 | 20% | 0.196 | 48% | 0.483 | C | S | . | . | S | Bend | trans | -130.2 | 18.9 | -175.2 | 56.1 | 0 | 0 | 0 | 0 | 113.6 | T120 T124 I125 T130 | T120-T122 PolarHBondContact O-N 3.31Å; T122-T124 PolarHBondContact O-N 3.08Å; T122-I125 WeakPolarHBondContact O-CB 3.06Å; T122-I125 VanDerWaalsContact O-CG1 3.29Å; T122-I125 WeakPolarHBondContact O-CG1 3.28Å; T122-I125 PolarHBondContact O-N 2.71Å; T122-T130 HydrophobicContact CG2-CG2 4.19Å |
| 123 | G | 76.3 | Confident | 72.7 | Confident | 12 Ų | 12 | 79 Ų | 79 | 12% | 0.124 | 49% | 0.493 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 54 | -137 | -178.9 | 0 | 0 | 0 | 0 | 0 | 112.8 | V116 I125 | V116-G123 WeakPolarHBondContact CG1-O 3.37Å; G123-I125 VanDerWaalsContact C-N 3.25Å; G123-I125 PolarHBondContact O-N 3.45Å |
| 124 | T | 73.2 | Confident | 71 | Confident | 100 Ų | 100 | 77.3 Ų | 77.3 | 61% | 0.613 | 49% | 0.487 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -80.9 | 7 | -176.9 | 54.8 | 0 | 0 | 0 | 0 | 114.6 | T122 P126 | T122-T124 PolarHBondContact O-N 3.08Å; T124-P126 WeakPolarHBondContact O-CD 3.12Å |
| 125 | I | 69.7 | Low | 69.2 | Low | 88 Ų | 88 | 76.6 Ų | 76.6 | 45% | 0.451 | 48% | 0.484 | S | S | . | . | | | trans | -65.6 | 121.9 | -179.4 | -62.6 | 173.7 | 0 | 0 | 0 | 110.1 | T122 G123 | T122-I125 WeakPolarHBondContact O-CB 3.06Å; T122-I125 VanDerWaalsContact O-CG1 3.29Å; T122-I125 WeakPolarHBondContact O-CG1 3.28Å; T122-I125 PolarHBondContact O-N 2.71Å; G123-I125 VanDerWaalsContact C-N 3.25Å; G123-I125 PolarHBondContact O-N 3.45Å |
| 126 | P | 65 | Low | 67.3 | Low | 84 Ų | 84 | 80.5 Ų | 80.5 | 55% | 0.545 | 50% | 0.495 | S | S | . | . | | | trans | -67.3 | 136.5 | -179.3 | 26.7 | -33.8 | 0 | 0 | 0 | 111.4 | T124 N128 F129 | T124-P126 WeakPolarHBondContact O-CD 3.12Å; P126-N128 PolarHBondContact O-N 2.99Å; P126-F129 HydrophobicContact CG-CD2 4.36Å; P126-F129 PolarHBondContact O-N 3.03Å; P126-F129 VanDerWaalsContact O-N 3.1Å |
| 127 | A | 62.5 | Low | 65.7 | Low | 65 Ų | 65 | 82.1 Ų | 82.1 | 54% | 0.537 | 50% | 0.497 | S | S | . | . | G | 310 helix | trans | -52.3 | -23.4 | -172.3 | 0 | 0 | 0 | 0 | 0 | 115.6 | F129 T130 S131 I134 | A127-F129 VanDerWaalsContact C-N 3.29Å; A127-F129 PolarHBondContact O-N 2.96Å; A127-T130 PolarHBondContact O-N 2.96Å; A127-T130 VanDerWaalsContact O-N 3.12Å; A127-S131 PolarHBondContact O-N 3.37Å; A127-I134 HydrophobicContact CB-CD1 4.48Å |
| 128 | N | 60.7 | Low | 64 | Low | 88 Ų | 88 | 82.6 Ų | 82.6 | 47% | 0.471 | 51% | 0.507 | S | S | . | . | G | 310 helix | trans | -61.5 | -31.4 | 179.3 | -158.8 | -5.1 | 0 | 0 | 0 | 113.4 | E73 P126 | E73-N128 PolarHBondContact OE2-ND2 3.2Å; P126-N128 PolarHBondContact O-N 2.99Å |
| 129 | F | 55.8 | Low | 62 | Low | 180 Ų | 180 | 83.5 Ų | 83.5 | 79% | 0.789 | 51% | 0.508 | S | S | * | . | G | 310 helix | trans | -89.5 | 2.9 | 176.7 | -76.1 | -87.4 | 0 | 0 | 0 | 113.9 | P126 A127 | P126-F129 HydrophobicContact CG-CD2 4.36Å; P126-F129 PolarHBondContact O-N 3.03Å; P126-F129 VanDerWaalsContact O-N 3.1Å; A127-F129 VanDerWaalsContact C-N 3.29Å; A127-F129 PolarHBondContact O-N 2.96Å |
| 130 | T | 55.6 | Low | 60.2 | Low | 27 Ų | 27 | 82.4 Ų | 82.4 | 17% | 0.166 | 51% | 0.506 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -140.7 | 7.2 | -168.6 | -97.3 | 0 | 0 | 0 | 0 | 113.9 | T122 A127 L132 N133 I134 | T122-T130 HydrophobicContact CG2-CG2 4.19Å; A127-T130 PolarHBondContact O-N 2.96Å; A127-T130 VanDerWaalsContact O-N 3.12Å; T130-L132 PolarHBondContact O-N 3.31Å; T130-N133 PolarHBondContact O-N 3.17Å; T130-I134 HydrophobicContact CG2-CD1 4Å; T130-I134 HydrophobicContact CG2-CG1 3.84Å; T130-I134 PolarHBondContact O-N 2.8Å |
| 131 | S | 52.4 | Low | 58.4 | Low | 71 Ų | 71 | 83.5 Ų | 83.5 | 50% | 0.497 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -59.4 | -17.3 | -179.8 | 50.1 | 0 | 0 | 0 | 0 | 115.3 | A127 | A127-S131 PolarHBondContact O-N 3.37Å |
| 132 | L | 53.5 | Low | 56.6 | Low | 153 Ų | 153 | 86 Ų | 86 | 80% | 0.801 | 52% | 0.524 | S | S | * | . | H | α-helix | trans | -86.2 | -16.7 | 172.2 | -65.1 | 177.6 | 0 | 0 | 0 | 114.4 | T130 L136 | T130-L132 PolarHBondContact O-N 3.31Å; L132-L136 WeakPolarHBondContact O-CD1 3.4Å |
| 133 | N | 51.1 | Low | 55.3 | Low | 93 Ų | 93 | 94.5 Ų | 94.5 | 50% | 0.497 | 56% | 0.558 | S | S | . | * | H | α-helix | trans | -100.5 | -25 | -178.3 | -170.7 | -84.4 | 0 | 0 | 0 | 112.8 | T130 S135 L136 R137 | T130-N133 PolarHBondContact O-N 3.17Å; N133-S135 PolarHBondContact O-N 2.92Å; N133-L136 PolarHBondContact O-N 3.16Å; N133-R137 PolarHBondContact O-N 2.75Å; N133-R137 PolarHBondContact OD1-NH1 3.41Å |
| 134 | I | 55 | Low | 53.7 | Low | 57 Ų | 57 | 98.6 Ų | 98.6 | 29% | 0.292 | 59% | 0.585 | S | S | . | * | H | α-helix | trans | -62.5 | -43.9 | 177.4 | -63.7 | 165 | 0 | 0 | 0 | 110.7 | A127 T130 L136 R137 S138 | A127-I134 HydrophobicContact CB-CD1 4.48Å; T130-I134 HydrophobicContact CG2-CD1 4Å; T130-I134 HydrophobicContact CG2-CG1 3.84Å; T130-I134 PolarHBondContact O-N 2.8Å; I134-L136 PolarHBondContact O-N 3.27Å; I134-R137 PolarHBondContact O-N 2.97Å; I134-R137 VanDerWaalsContact O-N 3.12Å; I134-S138 WeakPolarHBondContact O-CB 3.45Å; I134-S138 PolarHBondContact O-N 3.18Å; I134-S138 PolarHBondContact O-OG 3.18Å |
| 135 | S | 51.2 | Low | 52.6 | Low | 79 Ų | 79 | 97.1 Ų | 97.1 | 55% | 0.552 | 58% | 0.583 | S | S | * | * | H | α-helix | trans | -65.7 | -18.7 | -177.2 | -54.3 | 0 | 0 | 0 | 0 | 115 | N133 S139 | N133-S135 PolarHBondContact O-N 2.92Å; S135-S139 PolarHBondContact O-OG 3.4Å |
| 136 | L | 51.5 | Low | 51.3 | Low | 147 Ų | 147 | 98.8 Ų | 98.8 | 77% | 0.77 | 60% | 0.6 | S | S | * | * | H | α-helix | trans | -93.7 | -17.4 | 174.5 | -74.7 | 96.8 | 0 | 0 | 0 | 113.6 | L132 N133 I134 | L132-L136 WeakPolarHBondContact O-CD1 3.4Å; N133-L136 PolarHBondContact O-N 3.16Å; I134-L136 PolarHBondContact O-N 3.27Å |
| 137 | R | 54.9 | Low | 50.3 | Low | 72 Ų | 72 | 99 Ų | 99 | 27% | 0.272 | 61% | 0.608 | S | S | . | * | H | α-helix | trans | -100.6 | -30.4 | 176.9 | 70.4 | -172.1 | -169.5 | -112.7 | 9.8 | 113.8 | T120 N133 I134 S139 | T120-R137 PolarHBondContact O-NH2 2.98Å; N133-R137 PolarHBondContact O-N 2.75Å; N133-R137 PolarHBondContact OD1-NH1 3.41Å; I134-R137 PolarHBondContact O-N 2.97Å; I134-R137 VanDerWaalsContact O-N 3.12Å; R137-S139 VanDerWaalsContact C-N 3.33Å; R137-S139 PolarHBondContact O-N 3.41Å |
| 138 | S | 50.3 | Low | 49.4 | Very low | 88 Ų | 88 | 102.6 Ų | 102.6 | 62% | 0.615 | 61% | 0.614 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -81.5 | -7.2 | 178.7 | -64.4 | 0 | 0 | 0 | 0 | 114.6 | I134 | I134-S138 WeakPolarHBondContact O-CB 3.45Å; I134-S138 PolarHBondContact O-N 3.18Å; I134-S138 PolarHBondContact O-OG 3.18Å |
| 139 | S | 45.6 | Very low | 48.8 | Very low | 108 Ų | 108 | 107.3 Ų | 107.3 | 76% | 0.755 | 64% | 0.638 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -97 | 10.1 | 177.4 | -66.3 | 0 | 0 | 0 | 0 | 114.2 | S135 R137 | S135-S139 PolarHBondContact O-OG 3.4Å; R137-S139 VanDerWaalsContact C-N 3.33Å; R137-S139 PolarHBondContact O-N 3.41Å |
| 140 | G | 47.4 | Very low | 48.1 | Very low | 66 Ų | 66 | 110.4 Ų | 110.4 | 68% | 0.68 | 64% | 0.644 | S | S | * | * | S | Bend | trans | -155.6 | 38.3 | -166.5 | 0 | 0 | 0 | 0 | 0 | 117.3 | | |
| 141 | S | 44.2 | Very low | 47.3 | Very low | 83 Ų | 83 | 113.6 Ų | 113.6 | 58% | 0.58 | 67% | 0.674 | S | S | * | * | | | trans | -149.9 | 76.2 | 164.6 | 69.6 | 0 | 0 | 0 | 0 | 112.6 | F143 | S141-F143 PolarHBondContact O-N 2.97Š|
| 142 | S | 40.4 | Very low | 46.7 | Very low | 114 Ų | 114 | 114.6 Ų | 114.6 | 80% | 0.797 | 69% | 0.686 | S | S | * | * | | | trans | -55.6 | 130 | 156.9 | -61.1 | 0 | 0 | 0 | 0 | 108.6 | S144 | S142-S144 PolarHBondContact O-N 3.41Š|
| 143 | F | 45.5 | Very low | 46.6 | Very low | 210 Ų | 210 | 115.3 Ų | 115.3 | 92% | 0.921 | 69% | 0.689 | S | S | * | * | | | trans | -71.4 | 64.3 | 169.2 | -37 | -82.7 | 0 | 0 | 0 | 109.7 | S141 A145 | S141-F143 PolarHBondContact O-N 2.97Å; F143-A145 PolarHBondContact O-N 3.19Å |
| 144 | S | 42.9 | Very low | 46.4 | Very low | 97 Ų | 97 | 116.5 Ų | 116.5 | 68% | 0.678 | 70% | 0.702 | S | S | * | * | | | trans | -75.6 | 111.7 | 172.9 | -163.1 | 0 | 0 | 0 | 0 | 107.4 | S142 | S142-S144 PolarHBondContact O-N 3.41Š|
| 145 | A | 49.5 | Very low | 45.8 | Very low | 69 Ų | 69 | 118.5 Ų | 118.5 | 57% | 0.57 | 73% | 0.727 | S | S | * | * | | | trans | -53.9 | 145.9 | 171.8 | 0 | 0 | 0 | 0 | 0 | 109.9 | F143 A147 | F143-A145 PolarHBondContact O-N 3.19Å; A145-A147 PolarHBondContact O-N 3.39Å |
| 146 | P | 41.6 | Very low | 45.3 | Very low | 124 Ų | 124 | 120.4 Ų | 120.4 | 81% | 0.805 | 74% | 0.741 | S | S | * | * | | | trans | -72 | 76.4 | -179.4 | 30.2 | -35.3 | 0 | 0 | 0 | 111.1 | | |
| 147 | A | 45.1 | Very low | 45 | Very low | 87 Ų | 87 | 119.6 Ų | 119.6 | 72% | 0.719 | 74% | 0.744 | S | S | * | * | | | trans | -107.3 | 50.4 | -179.1 | 0 | 0 | 0 | 0 | 0 | 111.3 | A145 | A145-A147 PolarHBondContact O-N 3.39Š|
| 148 | H | 42.8 | Very low | 44.6 | Very low | 142 Ų | 142 | 120.8 Ų | 120.8 | 66% | 0.657 | 77% | 0.769 | S | S | * | * | | | trans | -149 | 55.6 | -179 | 45.2 | -97.3 | 0 | 0 | 0 | 113.8 | | |
| 149 | L | 48.8 | Very low | 44.3 | Very low | 186 Ų | 186 | 123.3 Ų | 123.3 | 97% | 0.974 | 78% | 0.781 | S | S | * | * | | | trans | -130.4 | 58.3 | 148.6 | -72.4 | -179.1 | 0 | 0 | 0 | 109.6 | | |
| 150 | R | 41 | Very low | 44.1 | Very low | 245 Ų | 245 | 122.7 Ų | 122.7 | 93% | 0.925 | 78% | 0.783 | S | S | * | * | | | trans | -128.9 | 62 | 174.3 | -167.4 | -176.1 | 173.8 | 89.7 | -1.4 | 110.6 | | |
| 151 | A | 37.7 | Very low | 44 | Very low | 95 Ų | 95 | 123.8 Ų | 123.8 | 79% | 0.785 | 79% | 0.786 | S | S | * | * | | | trans | -155.4 | 139.8 | 167 | 0 | 0 | 0 | 0 | 0 | 110.8 | | |
| 152 | A | 40.9 | Very low | 43.9 | Very low | 91 Ų | 91 | 130.3 Ų | 130.3 | 75% | 0.752 | 80% | 0.797 | S | S | * | * | | | trans | 56.1 | 95.6 | 167.2 | 0 | 0 | 0 | 0 | 0 | 118.2 | | |
| 153 | L | 50.3 | Low | 43.9 | Very low | 168 Ų | 168 | 134.8 Ų | 134.8 | 88% | 0.88 | 80% | 0.803 | S | S | * | * | | | | -179.7 | 158.4 | 101.8 | -89.5 | 165.6 | 0 | 0 | 0 | 110.1 | | |
| 154 | P | 47.4 | Very low | 43.7 | Very low | 118 Ų | 118 | 128 Ų | 128 | 77% | 0.766 | 79% | 0.792 | S | S | * | * | | | trans | -80.7 | 147.7 | -157.5 | 31.1 | -36.4 | 0 | 0 | 0 | 114.5 | | |
| 155 | A | 43.6 | Very low | 43.8 | Very low | 99 Ų | 99 | 135 Ų | 135 | 82% | 0.818 | 80% | 0.803 | S | S | * | * | | | trans | -77.6 | 126.1 | 172.1 | 0 | 0 | 0 | 0 | 0 | 111.7 | | |
| 156 | S | 40.8 | Very low | 43.4 | Very low | 119 Ų | 119 | 136.3 Ų | 136.3 | 83% | 0.832 | 81% | 0.814 | S | S | * | * | | | trans | -155.1 | 125.3 | 152.4 | -92.8 | 0 | 0 | 0 | 0 | 108.5 | | |
| 157 | P | 44.9 | Very low | 43.5 | Very low | 131 Ų | 131 | 138.1 Ų | 138.1 | 85% | 0.851 | 82% | 0.817 | S | S | * | * | | | trans | -98 | 132.8 | -168 | 35.4 | -32.4 | 0 | 0 | 0 | 113.3 | | |
| 158 | A | 44.8 | Very low | 43.3 | Very low | 96 Ų | 96 | 138.2 Ų | 138.2 | 79% | 0.793 | 82% | 0.818 | S | S | * | * | | | trans | -149.3 | 103.7 | 162.3 | 0 | 0 | 0 | 0 | 0 | 111.6 | | |
| 159 | T | 44.8 | Very low | 43.6 | Very low | 142 Ų | 142 | 142.6 Ų | 142.6 | 87% | 0.871 | 83% | 0.829 | S | S | * | * | | | trans | 3 | 135.3 | 144.5 | -41.3 | 0 | 0 | 0 | 0 | 119.2 | | |
| 160 | A | 41.5 | Very low | 43.4 | Very low | 95 Ų | 95 | 140 Ų | 140 | 79% | 0.785 | 82% | 0.817 | S | S | * | * | | | trans | 104 | 139.1 | 150 | 0 | 0 | 0 | 0 | 0 | 120.2 | | |
| 161 | A | 45.3 | Very low | 43.5 | Very low | 89 Ų | 89 | 140.1 Ų | 140.1 | 74% | 0.736 | 82% | 0.817 | S | S | * | * | | | trans | 71 | 96.7 | 151.5 | 0 | 0 | 0 | 0 | 0 | 120.1 | | |
| 162 | R | 42.7 | Very low | 44 | Very low | 220 Ų | 220 | 142.4 Ų | 142.4 | 83% | 0.83 | 82% | 0.821 | S | S | * | * | | | | 35.5 | 115.3 | 119.4 | -60.8 | 174 | 178 | 151 | -1.1 | 117.1 | | |
| 163 | F | 40.7 | Very low | 44.3 | Very low | 208 Ų | 208 | 145 Ų | 145 | 91% | 0.912 | 83% | 0.827 | S | S | * | * | | | | 167.4 | 137.8 | 107.2 | -90.6 | -67.7 | 0 | 0 | 0 | 111.7 | | |
| 164 | G | 40.9 | Very low | 43.9 | Very low | 67 Ų | 67 | 140.3 Ų | 140.3 | 69% | 0.691 | 82% | 0.82 | S | S | * | * | | | trans | 101.9 | 110.5 | 141.6 | 0 | 0 | 0 | 0 | 0 | 119.9 | | |
| 165 | R | 44.5 | Very low | 43.7 | Very low | 243 Ų | 243 | 143 Ų | 143 | 92% | 0.917 | 83% | 0.826 | S | S | * | * | | | trans | 65.9 | 110.3 | 148.8 | -54.5 | -146.2 | -83.6 | -126.2 | 4.8 | 117.9 | | |
| 166 | A | 41.2 | Very low | 43.5 | Very low | 97 Ų | 97 | 142.5 Ų | 142.5 | 80% | 0.802 | 82% | 0.823 | S | S | * | * | | | | 83.4 | 101.8 | 54.9 | 0 | 0 | 0 | 0 | 0 | 113.1 | | |
| 167 | D | 43.7 | Very low | 43.9 | Very low | 162 Ų | 162 | 146.1 Ų | 146.1 | 87% | 0.866 | 82% | 0.824 | S | S | * | * | | | trans | -137.7 | 145.5 | 151.9 | -133.3 | -50 | 0 | 0 | 0 | 108.2 | | |
| 168 | A | 40 | Very low | 44.2 | Very low | 90 Ų | 90 | 145.8 Ų | 145.8 | 74% | 0.744 | 82% | 0.822 | S | S | * | * | | | trans | -136.5 | 118.8 | -153 | 0 | 0 | 0 | 0 | 0 | 113.9 | | |
| 169 | W | 50.5 | Low | 43.8 | Very low | 233 Ų | 233 | 147.1 Ų | 147.1 | 88% | 0.883 | 83% | 0.825 | S | S | * | * | S | Bend | trans | -145.6 | 9.6 | 170.7 | 44.5 | -89.7 | 0 | 0 | 0 | 114.6 | | |
| 170 | D | 44.3 | Very low | 43.8 | Very low | 133 Ų | 133 | 149.5 Ų | 149.5 | 71% | 0.711 | 83% | 0.826 | S | S | * | * | | | trans | -141 | 73.9 | -173.8 | -157.8 | -60.2 | 0 | 0 | 0 | 112.3 | | |
| 171 | R | 43.4 | Very low | 43.6 | Very low | 247 Ų | 247 | 148.6 Ų | 148.6 | 93% | 0.932 | 83% | 0.826 | S | S | * | * | | | trans | -158.7 | 56.8 | 168.3 | -77.1 | -149.1 | 179.4 | 129.9 | 7.2 | 115.2 | | |
| 172 | V | 48.1 | Very low | 43.6 | Very low | 143 Ų | 143 | 150.8 Ų | 150.8 | 87% | 0.867 | 83% | 0.833 | S | S | * | * | S | Bend | trans | -150.4 | 99.3 | 154.1 | 173.3 | 0 | 0 | 0 | 0 | 104 | | |
| 173 | V | 46.5 | Very low | 43.5 | Very low | 144 Ų | 144 | 144.8 Ų | 144.8 | 87% | 0.873 | 83% | 0.83 | S | S | * | * | S | Bend | cis | -140.4 | 123.4 | 44.3 | 174.9 | 0 | 0 | 0 | 0 | 109.4 | | |
| 174 | G | 41.2 | Very low | 43.4 | Very low | 71 Ų | 71 | 140.5 Ų | 140.5 | 73% | 0.732 | 83% | 0.826 | S | S | * | * | | | trans | -157.2 | 100.1 | 179.9 | 0 | 0 | 0 | 0 | 0 | 112.7 | A176 | G174-A176 PolarHBondContact O-N 2.88Š|
| 175 | L | 45.3 | Very low | 43.4 | Very low | 173 Ų | 173 | 142.7 Ų | 142.7 | 91% | 0.906 | 83% | 0.83 | S | S | * | * | | | trans | -79.8 | 104.1 | 170.3 | -71.7 | 172.1 | 0 | 0 | 0 | 109 | | |
| 176 | A | 39.1 | Very low | 43.1 | Very low | 90 Ų | 90 | 136.3 Ų | 136.3 | 74% | 0.744 | 82% | 0.823 | S | S | * | * | | | trans | -91.7 | 129.9 | 177 | 0 | 0 | 0 | 0 | 0 | 111.1 | G174 | G174-A176 PolarHBondContact O-N 2.88Š|
| 177 | F | 48.7 | Very low | 43.1 | Very low | 195 Ų | 195 | 137.1 Ų | 137.1 | 86% | 0.855 | 82% | 0.823 | S | S | * | * | | | trans | -129.9 | 144.2 | 154.4 | -78.3 | -73.6 | 0 | 0 | 0 | 109 | | |
| 178 | P | 50.3 | Low | 42.9 | Very low | 124 Ų | 124 | 134.9 Ų | 134.9 | 81% | 0.805 | 82% | 0.82 | S | S | * | * | | | trans | -82.8 | 160.9 | -163 | 33.1 | -36.6 | 0 | 0 | 0 | 114 | | |
| 179 | S | 36.8 | Very low | 43.2 | Very low | 123 Ų | 123 | 136.7 Ų | 136.7 | 86% | 0.86 | 82% | 0.824 | S | S | * | * | | | trans | -91.2 | 116.3 | 176 | 178.8 | 0 | 0 | 0 | 0 | 111.3 | | |
| 180 | E | 44.7 | Very low | 42.9 | Very low | 193 Ų | 193 | 129.9 Ų | 129.9 | 90% | 0.902 | 81% | 0.812 | S | S | * | * | | | trans | -149.9 | 140.9 | 159.5 | -80.1 | -162.7 | 92.7 | 0 | 0 | 110.8 | | |
| 181 | G | 38.4 | Very low | 43 | Very low | 75 Ų | 75 | 129.8 Ų | 129.8 | 77% | 0.773 | 82% | 0.819 | S | S | * | * | | | trans | 77.9 | 119.5 | 150.3 | 0 | 0 | 0 | 0 | 0 | 119 | | |
| 182 | P | 45.8 | Very low | 43.3 | Very low | 136 Ų | 136 | 125.4 Ų | 125.4 | 88% | 0.883 | 81% | 0.813 | S | S | * | * | | | trans | -92.5 | 128.7 | -179.3 | 34.6 | -31.9 | 0 | 0 | 0 | 113.8 | | |
| 183 | A | 40 | Very low | 43.2 | Very low | 94 Ų | 94 | 126.6 Ų | 126.6 | 78% | 0.777 | 81% | 0.814 | S | S | * | * | | | trans | -156.6 | 121 | 157 | 0 | 0 | 0 | 0 | 0 | 112.4 | | |
| 184 | S | 37.2 | Very low | 43.8 | Very low | 118 Ų | 118 | 126.3 Ų | 126.3 | 83% | 0.825 | 81% | 0.806 | S | S | * | * | | | trans | 23 | 102.4 | 146.8 | -51.7 | 0 | 0 | 0 | 0 | 119.9 | | |
| 185 | S | 40.8 | Very low | 43.9 | Very low | 112 Ų | 112 | 129.6 Ų | 129.6 | 78% | 0.783 | 81% | 0.807 | S | S | * | * | | | | 172.8 | 126.5 | 117.5 | 43.1 | 0 | 0 | 0 | 0 | 115.3 | | |
| 186 | S | 39.5 | Very low | 44 | Very low | 109 Ų | 109 | 129.9 Ų | 129.9 | 76% | 0.762 | 80% | 0.801 | S | S | * | * | | | trans | 51.3 | 141.2 | 146.9 | 57.2 | 0 | 0 | 0 | 0 | 124 | | |
| 187 | S | 40.9 | Very low | 44.4 | Very low | 114 Ų | 114 | 131.4 Ų | 131.4 | 80% | 0.797 | 80% | 0.797 | S | S | * | * | | | trans | 82 | 77.1 | 157.2 | 68.2 | 0 | 0 | 0 | 0 | 119.7 | | |
| 188 | S | 39.5 | Very low | 43.8 | Very low | 115 Ų | 115 | 127.6 Ų | 127.6 | 80% | 0.804 | 80% | 0.795 | S | S | * | * | | | trans | -85.7 | 139.1 | 156.1 | -45.7 | 0 | 0 | 0 | 0 | 111.2 | | |
| 189 | P | 46.7 | Very low | 43.5 | Very low | 128 Ų | 128 | 125.4 Ų | 125.4 | 83% | 0.831 | 80% | 0.795 | S | S | * | * | | | trans | -101.8 | 100.2 | 159 | 33.1 | -24.4 | 0 | 0 | 0 | 110.4 | | |
| 190 | S | 43.7 | Very low | 43.7 | Very low | 91 Ų | 91 | 125.4 Ų | 125.4 | 64% | 0.636 | 80% | 0.795 | S | S | * | * | | | trans | -76.1 | 143.9 | 167.5 | -59.5 | 0 | 0 | 0 | 0 | 110.4 | L192 | S190-L192 PolarHBondContact O-N 3.15Š|
| 191 | P | 46.9 | Very low | 43.7 | Very low | 130 Ų | 130 | 123 Ų | 123 | 84% | 0.844 | 79% | 0.793 | S | S | * | * | | | trans | -71.9 | 101.7 | 173.6 | 29.5 | -32.9 | 0 | 0 | 0 | 109.8 | | |
| 192 | L | 50.4 | Low | 43.7 | Very low | 155 Ų | 155 | 123 Ų | 123 | 81% | 0.812 | 79% | 0.793 | S | S | * | * | | | trans | -77.8 | 130.1 | 176.1 | -71.8 | 177 | 0 | 0 | 0 | 111.3 | S190 L194 | S190-L192 PolarHBondContact O-N 3.15Å; L192-L194 PolarHBondContact O-N 3.11Å |
| 193 | L | 45.5 | Very low | 43.6 | Very low | 168 Ų | 168 | 124.6 Ų | 124.6 | 88% | 0.88 | 79% | 0.794 | S | S | * | * | | | trans | -61.7 | 113.1 | 175.6 | -62.5 | 162.6 | 0 | 0 | 0 | 110.5 | N195 | L193-N195 PolarHBondContact O-N 3.03Å; L193-N195 VanDerWaalsContact O-N 3.16Å |
| 194 | L | 59 | Low | 43.4 | Very low | 138 Ų | 138 | 127.6 Ų | 127.6 | 72% | 0.723 | 80% | 0.797 | S | S | * | * | | | trans | -86.3 | 85.6 | 173.7 | -72.5 | 177.5 | 0 | 0 | 0 | 111.3 | L192 F196 | L192-L194 PolarHBondContact O-N 3.11Å; L194-F196 HydrophobicContact CB-CD2 4.22Å; L194-F196 HydrophobicContact CB-CE2 3.68Å; L194-F196 HydrophobicContact CB-CZ 4.23Å; L194-F196 HydrophobicContact CD1-CE2 4.12Å; L194-F196 HydrophobicContact CD1-CZ 4.18Å; L194-F196 HydrophobicContact CD2-CZ 4.34Å; L194-F196 HydrophobicContact CG-CE2 4.36Å; L194-F196 HydrophobicContact CG-CZ 4.5Å; L194-F196 PolarHBondContact O-N 3.46Å |
| 195 | N | 42.1 | Very low | 43.8 | Very low | 141 Ų | 141 | 126 Ų | 126 | 75% | 0.754 | 79% | 0.79 | S | S | * | * | | | trans | -75.4 | 103.2 | 166.9 | 172.4 | 36.9 | 0 | 0 | 0 | 110.2 | L193 | L193-N195 PolarHBondContact O-N 3.03Å; L193-N195 VanDerWaalsContact O-N 3.16Å |
| 196 | F | 49 | Very low | 43.6 | Very low | 178 Ų | 178 | 129.3 Ų | 129.3 | 78% | 0.781 | 79% | 0.793 | S | S | * | * | | | trans | -97.9 | 87.9 | 174.1 | -71 | -71.3 | 0 | 0 | 0 | 111.2 | L194 | L194-F196 HydrophobicContact CB-CD2 4.22Å; L194-F196 HydrophobicContact CB-CE2 3.68Å; L194-F196 HydrophobicContact CB-CZ 4.23Å; L194-F196 HydrophobicContact CD1-CE2 4.12Å; L194-F196 HydrophobicContact CD1-CZ 4.18Å; L194-F196 HydrophobicContact CD2-CZ 4.34Å; L194-F196 HydrophobicContact CG-CE2 4.36Å; L194-F196 HydrophobicContact CG-CZ 4.5Å; L194-F196 PolarHBondContact O-N 3.46Å |
| 197 | N | 46.5 | Very low | 44.2 | Very low | 122 Ų | 122 | 132.7 Ų | 132.7 | 65% | 0.652 | 80% | 0.797 | S | S | * | * | | | trans | -112 | 120.7 | 168 | -170.3 | 5.8 | 0 | 0 | 0 | 110.6 | | |
| 198 | S | 36.8 | Very low | 44 | Very low | 116 Ų | 116 | 132.4 Ų | 132.4 | 81% | 0.811 | 80% | 0.795 | S | S | * | * | | | trans | 14.1 | 114 | 157.2 | -40 | 0 | 0 | 0 | 0 | 118.8 | | |
| 199 | G | 43.3 | Very low | 44.6 | Very low | 78 Ų | 78 | 132.2 Ų | 132.2 | 80% | 0.804 | 79% | 0.791 | S | S | * | * | | | trans | -162.4 | 120.4 | 166.3 | 0 | 0 | 0 | 0 | 0 | 111.2 | | |
| 200 | S | 40.5 | Very low | 44.8 | Very low | 122 Ų | 122 | 130.8 Ų | 130.8 | 85% | 0.853 | 78% | 0.784 | S | S | * | * | | | trans | -75.3 | 131.7 | -174 | 55.2 | 0 | 0 | 0 | 0 | 113.6 | | |
| 201 | V | 45.8 | Very low | 45.2 | Very low | 142 Ų | 142 | 130.2 Ų | 130.2 | 86% | 0.861 | 79% | 0.785 | S | S | * | * | | | trans | -136.7 | 129.8 | 145.2 | -73 | 0 | 0 | 0 | 0 | 108.4 | | |
| 202 | G | 37.8 | Very low | 45.4 | Very low | 76 Ų | 76 | 127.6 Ų | 127.6 | 78% | 0.784 | 77% | 0.774 | S | S | * | * | | | trans | -84.2 | 141 | -176.4 | 0 | 0 | 0 | 0 | 0 | 112 | | |
| 203 | L | 43.5 | Very low | 45.4 | Very low | 170 Ų | 170 | 123.4 Ų | 123.4 | 89% | 0.89 | 76% | 0.762 | S | S | * | * | | | trans | -120.3 | 126.8 | 158.1 | -119.5 | 79.3 | 0 | 0 | 0 | 108.6 | A205 | L203-A205 PolarHBondContact O-N 3.43Š|
| 204 | D | 36.1 | Very low | 45.8 | Very low | 157 Ų | 157 | 118.5 Ų | 118.5 | 84% | 0.84 | 75% | 0.746 | S | S | * | * | | | trans | -68.8 | 121.6 | 179 | -169.1 | -91.1 | 0 | 0 | 0 | 110.2 | | |
| 205 | A | 45.2 | Very low | 45.5 | Very low | 83 Ų | 83 | 115 Ų | 115 | 69% | 0.686 | 74% | 0.737 | S | S | * | * | | | trans | -141.3 | 73.7 | -179.5 | 0 | 0 | 0 | 0 | 0 | 110.2 | L203 Q207 | L203-A205 PolarHBondContact O-N 3.43Å; A205-Q207 PolarHBondContact O-N 3.21Å |
| 206 | Q | 37.8 | Very low | 46.2 | Very low | 183 Ų | 183 | 111.1 Ų | 111.1 | 86% | 0.855 | 72% | 0.724 | S | S | * | * | | | trans | -48.8 | 101.4 | 172.8 | 179.3 | 176.5 | -114.7 | 0 | 0 | 112.7 | | |
| 207 | Q | 51 | Low | 46.6 | Very low | 179 Ų | 179 | 105.3 Ų | 105.3 | 84% | 0.836 | 71% | 0.709 | S | S | * | * | | | trans | -132.1 | 128.3 | 170 | -76.8 | -170.7 | -10.5 | 0 | 0 | 112.1 | A205 | A205-Q207 PolarHBondContact O-N 3.21Š|
| 208 | S | 36.6 | Very low | 47.2 | Very low | 108 Ų | 108 | 101.8 Ų | 101.8 | 76% | 0.755 | 70% | 0.697 | S | S | * | * | | | trans | -71.6 | 129.3 | -166.3 | -52.3 | 0 | 0 | 0 | 0 | 114.1 | S210 | S208-S210 PolarHBondContact O-N 2.7Š|
| 209 | P | 53.5 | Low | 48.2 | Very low | 111 Ų | 111 | 101 Ų | 101 | 72% | 0.721 | 68% | 0.683 | S | S | * | * | | | trans | -88.4 | 6.4 | -167.9 | 33.8 | -37.5 | 0 | 0 | 0 | 116.7 | | |
| 210 | S | 49.9 | Very low | 49 | Very low | 99 Ų | 99 | 102.8 Ų | 102.8 | 69% | 0.692 | 67% | 0.672 | S | S | * | * | H | α-helix | trans | -76.3 | -31.5 | -165 | 55.9 | 0 | 0 | 0 | 0 | 116 | S208 | S208-S210 PolarHBondContact O-N 2.7Å |
| 211 | A | 51.6 | Low | 49.9 | Very low | 78 Ų | 78 | 101.2 Ų | 101.2 | 65% | 0.645 | 66% | 0.658 | S | S | * | * | H | α-helix | trans | -82.8 | -38.2 | -174.9 | 0 | 0 | 0 | 0 | 0 | 113.8 | A214 A215 | A211-A214 PolarHBondContact O-N 2.99Å; A211-A215 PolarHBondContact O-N 3.39Å |
| 212 | A | 50.8 | Low | 50.5 | Low | 76 Ų | 76 | 102.9 Ų | 102.9 | 63% | 0.628 | 65% | 0.649 | S | S | * | * | H | α-helix | trans | -68.4 | -36.4 | -176.5 | 0 | 0 | 0 | 0 | 0 | 112.7 | A214 A215 A216 | A212-A214 PolarHBondContact O-N 3.46Å; A212-A215 PolarHBondContact O-N 2.85Å; A212-A216 PolarHBondContact O-N 3.34Å; A212-A216 VanDerWaalsContact O-N 3.09Å |
| 213 | A | 52.1 | Low | 51.7 | Low | 67 Ų | 67 | 105.9 Ų | 105.9 | 55% | 0.554 | 64% | 0.64 | S | S | * | * | H | α-helix | trans | -63.9 | -39.2 | 176.9 | 0 | 0 | 0 | 0 | 0 | 112.5 | A216 A217 | A213-A216 PolarHBondContact O-N 2.9Å; A213-A217 WeakPolarHBondContact O-CB 3.41Å; A213-A217 PolarHBondContact O-N 3.22Å |
| 214 | A | 52.2 | Low | 52.5 | Low | 65 Ų | 65 | 106.2 Ų | 106.2 | 54% | 0.537 | 63% | 0.629 | S | S | . | * | H | α-helix | trans | -65.9 | -39.8 | 177 | 0 | 0 | 0 | 0 | 0 | 112.2 | A211 A212 A217 A218 | A211-A214 PolarHBondContact O-N 2.99Å; A212-A214 PolarHBondContact O-N 3.46Å; A214-A217 PolarHBondContact O-N 2.95Å; A214-A218 PolarHBondContact O-N 3.03Å; A214-A218 VanDerWaalsContact O-N 3.09Å |
| 215 | A | 53.8 | Low | 53.9 | Low | 65 Ų | 65 | 107 Ų | 107 | 54% | 0.537 | 62% | 0.621 | S | S | . | * | H | α-helix | trans | -63.6 | -44.2 | 174.9 | 0 | 0 | 0 | 0 | 0 | 112 | A211 A212 A217 A218 D219 | A211-A215 PolarHBondContact O-N 3.39Å; A212-A215 PolarHBondContact O-N 2.85Å; A215-A217 PolarHBondContact O-N 2.77Å; A215-A218 PolarHBondContact O-N 3.4Å; A215-D219 PolarHBondContact O-N 3.01Å; A215-D219 VanDerWaalsContact O-N 3.08Å |
| 216 | A | 55.9 | Low | 54.8 | Low | 58 Ų | 58 | 111.4 Ų | 111.4 | 48% | 0.479 | 62% | 0.62 | S | S | . | * | H | α-helix | trans | -63.4 | -38 | 176.8 | 0 | 0 | 0 | 0 | 0 | 112.9 | A212 A213 D219 M220 | A212-A216 PolarHBondContact O-N 3.34Å; A212-A216 VanDerWaalsContact O-N 3.09Å; A213-A216 PolarHBondContact O-N 2.9Å; A216-D219 PolarHBondContact O-N 3.09Å; A216-M220 WeakPolarHBondContact O-CG 3.38Å; A216-M220 PolarHBondContact O-N 3.33Å |
| 217 | A | 57.5 | Low | 56.4 | Low | 56 Ų | 56 | 108 Ų | 108 | 46% | 0.463 | 60% | 0.604 | S | S | . | * | H | α-helix | trans | -66 | -39.2 | 175.7 | 0 | 0 | 0 | 0 | 0 | 112.5 | A213 A214 A215 T221 | A213-A217 WeakPolarHBondContact O-CB 3.41Å; A213-A217 PolarHBondContact O-N 3.22Å; A214-A217 PolarHBondContact O-N 2.95Å; A215-A217 PolarHBondContact O-N 2.77Å; A217-T221 WeakPolarHBondContact O-CB 3.45Å; A217-T221 PolarHBondContact O-N 3.38Å; A217-T221 PolarHBondContact O-OG1 3.4Å |
| 218 | A | 59.4 | Low | 57.5 | Low | 49 Ų | 49 | 106.5 Ų | 106.5 | 41% | 0.405 | 60% | 0.597 | S | S | . | * | H | α-helix | trans | -66 | -35.9 | 175.5 | 0 | 0 | 0 | 0 | 0 | 112.5 | A214 A215 T221 R222 | A214-A218 PolarHBondContact O-N 3.03Å; A214-A218 VanDerWaalsContact O-N 3.09Å; A215-A218 PolarHBondContact O-N 3.4Å; A218-T221 PolarHBondContact O-N 2.99Å; A218-R222 PolarHBondContact O-N 3.43Å; A218-R222 VanDerWaalsContact O-N 3.17Å |
| 219 | D | 58.7 | Low | 59.2 | Low | 98 Ų | 98 | 106.5 Ų | 106.5 | 52% | 0.524 | 59% | 0.585 | S | S | . | * | H | α-helix | trans | -69.2 | -47.4 | 176.3 | -142.4 | -71.9 | 0 | 0 | 0 | 111.9 | A215 A216 T221 R222 K223 | A215-D219 PolarHBondContact O-N 3.01Å; A215-D219 VanDerWaalsContact O-N 3.08Å; A216-D219 PolarHBondContact O-N 3.09Å; D219-T221 PolarHBondContact O-N 3.09Å; D219-R222 PolarHBondContact O-N 3.41Å; D219-R222 VanDerWaalsContact O-N 3.08Å; D219-K223 PolarHBondContact O-N 3.41Å |
| 220 | M | 58.6 | Low | 60.2 | Low | 117 Ų | 117 | 106.5 Ų | 106.5 | 58% | 0.576 | 58% | 0.576 | S | S | * | * | H | α-helix | trans | -58.9 | -31 | 174.1 | -74.3 | -66.2 | 171.8 | 0 | 0 | 113.3 | A216 R224 | A216-M220 WeakPolarHBondContact O-CG 3.38Å; A216-M220 PolarHBondContact O-N 3.33Å; M220-R224 PolarHBondContact O-N 2.81Å; M220-R224 VanDerWaalsContact O-N 3.1Å |
| 221 | T | 60 | Low | 61.5 | Low | 89 Ų | 89 | 107.4 Ų | 107.4 | 55% | 0.546 | 57% | 0.57 | S | S | . | * | H | α-helix | trans | -72.3 | -40.7 | 176.2 | -57 | 0 | 0 | 0 | 0 | 111.7 | A217 A218 D219 R225 | A217-T221 WeakPolarHBondContact O-CB 3.45Å; A217-T221 PolarHBondContact O-N 3.38Å; A217-T221 PolarHBondContact O-OG1 3.4Å; A218-T221 PolarHBondContact O-N 2.99Å; D219-T221 PolarHBondContact O-N 3.09Å; T221-R225 PolarHBondContact O-N 3.08Å |
| 222 | R | 59.4 | Low | 62.8 | Low | 177 Ų | 177 | 109.6 Ų | 109.6 | 67% | 0.668 | 57% | 0.567 | S | S | * | * | H | α-helix | trans | -64.5 | -40.2 | 171.8 | -90.2 | -173.8 | -77.2 | -143.2 | -0.6 | 112.2 | A218 D219 R225 W226 | A218-R222 PolarHBondContact O-N 3.43Å; A218-R222 VanDerWaalsContact O-N 3.17Å; D219-R222 PolarHBondContact O-N 3.41Å; D219-R222 VanDerWaalsContact O-N 3.08Å; R222-R225 PolarHBondContact O-N 3.09Å; R222-W226 PolarHBondContact O-N 3.08Å; R222-W226 VanDerWaalsContact O-N 3.16Å |
| 223 | K | 62.1 | Low | 64 | Low | 138 Ų | 138 | 112.7 Ų | 112.7 | 60% | 0.6 | 57% | 0.568 | S | S | * | * | H | α-helix | trans | -64.8 | -47.1 | -178.8 | -159.5 | 168.1 | -179.1 | 179.8 | 0 | 112.4 | D219 R225 W226 E227 | D219-K223 PolarHBondContact O-N 3.41Å; K223-R225 VanDerWaalsContact C-N 3.32Å; K223-R225 PolarHBondContact O-N 3.29Å; K223-W226 PolarHBondContact O-N 3.19Å; K223-E227 PolarHBondContact O-N 3.46Å |
| 224 | R | 60.7 | Low | 65.1 | Low | 177 Ų | 177 | 116 Ų | 116 | 67% | 0.668 | 57% | 0.572 | S | S | * | * | H | α-helix | trans | -63.1 | -33.3 | 175.3 | -75.5 | -165.2 | -78.3 | 177.6 | -5.6 | 113.6 | M220 Q228 | M220-R224 PolarHBondContact O-N 2.81Å; M220-R224 VanDerWaalsContact O-N 3.1Å; R224-Q228 PolarHBondContact O-N 3.36Å |
| 225 | R | 64.8 | Low | 66 | Low | 175 Ų | 175 | 119.3 Ų | 119.3 | 66% | 0.66 | 58% | 0.577 | S | S | * | * | H | α-helix | trans | -67.8 | -41.7 | 176.9 | -166.6 | 177.1 | -168.2 | -87.6 | 4.4 | 112.3 | T221 R222 K223 E229 | T221-R225 PolarHBondContact O-N 3.08Å; R222-R225 PolarHBondContact O-N 3.09Å; K223-R225 VanDerWaalsContact C-N 3.32Å; K223-R225 PolarHBondContact O-N 3.29Å; R225-E229 IonicContact NH1-OE2 2.75Å; R225-E229 PolarHBondContact O-N 3.04Å |
| 226 | W | 64.6 | Low | 66.9 | Low | 174 Ų | 174 | 122 Ų | 122 | 66% | 0.659 | 58% | 0.578 | S | S | * | * | H | α-helix | trans | -69.1 | -35.6 | 179.6 | -160.2 | 89.2 | 0 | 0 | 0 | 112.3 | R222 K223 E229 M230 | R222-W226 PolarHBondContact O-N 3.08Å; R222-W226 VanDerWaalsContact O-N 3.16Å; K223-W226 PolarHBondContact O-N 3.19Å; W226-E229 PolarHBondContact O-N 2.91Å; W226-M230 HydrophobicContact CE3-CB 4.34Å; W226-M230 HydrophobicContact CH2-CG 4.47Å; W226-M230 HydrophobicContact CH2-SD 4.02Å; W226-M230 HydrophobicContact CZ3-CB 4.11Å; W226-M230 HydrophobicContact CZ3-CG 4.2Å; W226-M230 HydrophobicContact CZ3-SD 3.57Å; W226-M230 VanDerWaalsContact CZ3-SD 3.57Å; W226-M230 PolarHBondContact O-N 3.36Å |
| 227 | E | 71.7 | Confident | 67.5 | Low | 112 Ų | 112 | 125.9 Ų | 125.9 | 52% | 0.523 | 59% | 0.586 | S | S | . | * | H | α-helix | trans | -66.8 | -40 | 177.5 | -168.6 | 165.1 | -156.8 | 0 | 0 | 112.7 | K223 M230 Q231 | K223-E227 PolarHBondContact O-N 3.46Å; E227-M230 PolarHBondContact O-N 3.39Å; E227-Q231 PolarHBondContact O-N 3.17Å |
| 228 | Q | 73.6 | Confident | 68 | Low | 147 Ų | 147 | 126 Ų | 126 | 69% | 0.687 | 59% | 0.587 | S | S | * | * | H | α-helix | trans | -63.3 | -41 | 170.6 | -78.3 | -175.4 | -16.9 | 0 | 0 | 112.6 | R224 M230 Q231 Q232 | R224-Q228 PolarHBondContact O-N 3.36Å; Q228-M230 VanDerWaalsContact C-N 3.34Å; Q228-Q231 PolarHBondContact O-N 3.48Å; Q228-Q232 WeakPolarHBondContact O-CB 2.96Å; Q228-Q232 PolarHBondContact O-N 3.16Å |
| 229 | E | 73.5 | Confident | 68.3 | Low | 109 Ų | 109 | 129.7 Ų | 129.7 | 51% | 0.509 | 60% | 0.596 | S | S | . | * | H | α-helix | trans | -67 | -36.1 | 179.1 | -157.1 | 171.7 | 163.5 | 0 | 0 | 111.5 | R225 W226 Q233 | R225-E229 IonicContact NH1-OE2 2.75Å; R225-E229 PolarHBondContact O-N 3.04Å; W226-E229 PolarHBondContact O-N 2.91Å; E229-Q233 WeakPolarHBondContact O-CB 3.5Å; E229-Q233 PolarHBondContact O-N 3.33Å; E229-Q233 VanDerWaalsContact O-N 3.1Å |
| 230 | M | 74.4 | Confident | 68.5 | Low | 110 Ų | 110 | 130.9 Ų | 130.9 | 54% | 0.542 | 60% | 0.599 | S | S | . | * | H | α-helix | trans | -69.2 | -43.2 | 175.1 | -164.3 | -173.2 | -172 | 0 | 0 | 112.8 | W226 E227 Q228 Q232 Q233 Q234 | W226-M230 HydrophobicContact CE3-CB 4.34Å; W226-M230 HydrophobicContact CH2-CG 4.47Å; W226-M230 HydrophobicContact CH2-SD 4.02Å; W226-M230 HydrophobicContact CZ3-CB 4.11Å; W226-M230 HydrophobicContact CZ3-CG 4.2Å; W226-M230 HydrophobicContact CZ3-SD 3.57Å; W226-M230 VanDerWaalsContact CZ3-SD 3.57Å; W226-M230 PolarHBondContact O-N 3.36Å; E227-M230 PolarHBondContact O-N 3.39Å; Q228-M230 VanDerWaalsContact C-N 3.34Å; M230-Q232 VanDerWaalsContact C-N 3.34Å; M230-Q232 PolarHBondContact O-N 3.2Å; M230-Q233 PolarHBondContact O-N 3.43Å; M230-Q234 PolarHBondContact O-N 3.18Å |
| 231 | Q | 76.5 | Confident | 68.6 | Low | 118 Ų | 118 | 132.3 Ų | 132.3 | 55% | 0.551 | 60% | 0.598 | S | S | * | * | H | α-helix | trans | -63.6 | -39.2 | 175.8 | -78.8 | -178.8 | 18.7 | 0 | 0 | 112.1 | E227 Q228 Q233 Q234 Q235 | E227-Q231 PolarHBondContact O-N 3.17Å; Q228-Q231 PolarHBondContact O-N 3.48Å; Q231-Q233 VanDerWaalsContact C-N 3.34Å; Q231-Q233 PolarHBondContact O-N 3.1Å; Q231-Q234 PolarHBondContact O-N 2.97Å; Q231-Q235 PolarHBondContact O-N 3.29Å |
| 232 | Q | 78.4 | Confident | 68.7 | Low | 124 Ų | 124 | 135.2 Ų | 135.2 | 58% | 0.579 | 61% | 0.606 | S | S | * | * | H | α-helix | trans | -64 | -39.2 | 175.6 | -171.3 | 175.8 | 102 | 0 | 0 | 112 | Q228 M230 Q235 Q236 | Q228-Q232 WeakPolarHBondContact O-CB 2.96Å; Q228-Q232 PolarHBondContact O-N 3.16Å; M230-Q232 VanDerWaalsContact C-N 3.34Å; M230-Q232 PolarHBondContact O-N 3.2Å; Q232-Q235 PolarHBondContact O-N 2.95Å; Q232-Q236 PolarHBondContact O-N 3.48Å |
| 233 | Q | 76 | Confident | 68.7 | Low | 142 Ų | 142 | 133.8 Ų | 133.8 | 66% | 0.664 | 61% | 0.607 | S | S | * | * | H | α-helix | trans | -68.5 | -35.2 | 176.2 | -166.1 | 167.4 | 104.6 | 0 | 0 | 112.2 | E229 M230 Q231 Q236 Q237 | E229-Q233 WeakPolarHBondContact O-CB 3.5Å; E229-Q233 PolarHBondContact O-N 3.33Å; E229-Q233 VanDerWaalsContact O-N 3.1Å; M230-Q233 PolarHBondContact O-N 3.43Å; Q231-Q233 VanDerWaalsContact C-N 3.34Å; Q231-Q233 PolarHBondContact O-N 3.1Å; Q233-Q236 PolarHBondContact O-N 3.31Å; Q233-Q237 PolarHBondContact O-N 3.46Å |
| 234 | Q | 74.9 | Confident | 68.4 | Low | 135 Ų | 135 | 132.5 Ų | 132.5 | 63% | 0.631 | 60% | 0.603 | S | S | * | * | H | α-helix | trans | -68.1 | -38.7 | 175.9 | -168.3 | 171.7 | 55.6 | 0 | 0 | 112.4 | M230 Q231 Q237 A238 | M230-Q234 PolarHBondContact O-N 3.18Å; Q231-Q234 PolarHBondContact O-N 2.97Å; Q234-Q237 PolarHBondContact O-N 3.28Å; Q234-A238 PolarHBondContact O-N 3.32Å |
| 235 | Q | 72.4 | Confident | 67.9 | Low | 136 Ų | 136 | 128.7 Ų | 128.7 | 64% | 0.636 | 59% | 0.594 | S | S | * | * | H | α-helix | trans | -64.2 | -40.1 | 174 | -77.9 | -173.1 | -4.3 | 0 | 0 | 112.9 | Q231 Q232 Q237 A238 Q239 | Q231-Q235 PolarHBondContact O-N 3.29Å; Q232-Q235 PolarHBondContact O-N 2.95Å; Q235-Q237 VanDerWaalsContact C-N 3.31Å; Q235-Q237 PolarHBondContact O-N 3.46Å; Q235-A238 PolarHBondContact O-N 3.14Å; Q235-Q239 PolarHBondContact O-N 3.34Å; Q235-Q239 VanDerWaalsContact O-N 3.08Å |
| 236 | Q | 72 | Confident | 67.1 | Low | 122 Ų | 122 | 124.6 Ų | 124.6 | 57% | 0.57 | 60% | 0.597 | S | S | * | * | H | α-helix | trans | -63.9 | -37 | 175.6 | -70.7 | -179.1 | 29.8 | 0 | 0 | 112.1 | Q232 Q233 Q240 | Q232-Q236 PolarHBondContact O-N 3.48Å; Q233-Q236 PolarHBondContact O-N 3.31Å; Q236-Q240 PolarHBondContact O-N 3.33Å; Q236-Q240 VanDerWaalsContact O-N 3.1Å |
| 237 | Q | 68.5 | Low | 66.3 | Low | 138 Ų | 138 | 119.6 Ų | 119.6 | 65% | 0.645 | 60% | 0.6 | S | S | * | * | H | α-helix | trans | -67.6 | -37.3 | 175.5 | -167 | 170.4 | 43.1 | 0 | 0 | 112.3 | Q233 Q234 Q235 Q240 Y241 | Q233-Q237 PolarHBondContact O-N 3.46Å; Q234-Q237 PolarHBondContact O-N 3.28Å; Q235-Q237 VanDerWaalsContact C-N 3.31Å; Q235-Q237 PolarHBondContact O-N 3.46Å; Q237-Q240 PolarHBondContact O-N 2.99Å; Q237-Y241 PolarHBondContact O-N 3.44Å |
| 238 | A | 67.6 | Low | 65.1 | Low | 59 Ų | 59 | 121.1 Ų | 121.1 | 49% | 0.488 | 60% | 0.602 | S | S | . | * | H | α-helix | trans | -65 | -44.3 | 175.9 | 0 | 0 | 0 | 0 | 0 | 112.6 | Q234 Q235 Q240 Y241 Q242 | Q234-A238 PolarHBondContact O-N 3.32Å; Q235-A238 PolarHBondContact O-N 3.14Å; A238-Q240 VanDerWaalsContact C-N 3.35Å; A238-Q240 PolarHBondContact O-N 3.32Å; A238-Y241 PolarHBondContact O-N 3.14Å; A238-Y241 VanDerWaalsContact O-N 3.14Å; A238-Q242 PolarHBondContact O-N 3.49Å |
| 239 | Q | 66.1 | Low | 63.5 | Low | 126 Ų | 126 | 120.7 Ų | 120.7 | 59% | 0.589 | 61% | 0.609 | S | S | * | * | H | α-helix | trans | -66 | -36.4 | 176.4 | -69.4 | -172.1 | 4.2 | 0 | 0 | 112.6 | Q235 Y241 Q242 Q243 | Q235-Q239 PolarHBondContact O-N 3.34Å; Q235-Q239 VanDerWaalsContact O-N 3.08Å; Q239-Y241 VanDerWaalsContact C-N 3.34Å; Q239-Q242 PolarHBondContact O-N 3.16Å; Q239-Q243 PolarHBondContact O-N 2.95Å |
| 240 | Q | 63.3 | Low | 62 | Low | 124 Ų | 124 | 124.6 Ų | 124.6 | 58% | 0.579 | 63% | 0.627 | S | S | * | * | H | α-helix | trans | -62.4 | -40.1 | 170.5 | -91.8 | -82.2 | -78.7 | 0 | 0 | 111.7 | Q236 Q237 A238 Q244 | Q236-Q240 PolarHBondContact O-N 3.33Å; Q236-Q240 VanDerWaalsContact O-N 3.1Å; Q237-Q240 PolarHBondContact O-N 2.99Å; A238-Q240 VanDerWaalsContact C-N 3.35Å; A238-Q240 PolarHBondContact O-N 3.32Å; Q240-Q244 WeakPolarHBondContact O-CG 3.24Å; Q240-Q244 PolarHBondContact O-NE2 3.42Å; Q240-Q244 VanDerWaalsContact O-NE2 3.14Å |
| 241 | Y | 59.5 | Low | 60.5 | Low | 146 Ų | 146 | 124 Ų | 124 | 57% | 0.573 | 63% | 0.634 | S | S | * | * | H | α-helix | trans | -65.7 | -41.5 | 175.2 | -129.3 | -88.5 | 0 | 0 | 0 | 111.6 | Q237 A238 Q239 Q243 Q244 M245 | Q237-Y241 PolarHBondContact O-N 3.44Å; A238-Y241 PolarHBondContact O-N 3.14Å; A238-Y241 VanDerWaalsContact O-N 3.14Å; Q239-Y241 VanDerWaalsContact C-N 3.34Å; Y241-Q243 VanDerWaalsContact C-N 3.33Å; Y241-Q243 PolarHBondContact O-N 3.06Å; Y241-Q244 PolarHBondContact O-N 3.28Å; Y241-M245 HydrophobicContact CD1-CG 4.02Å; Y241-M245 HydrophobicContact CD1-SD 4.21Å; Y241-M245 HydrophobicContact CE1-CE 4.42Å; Y241-M245 HydrophobicContact CE1-SD 4.12Å; Y241-M245 WeakPolarHBondContact O-CG 2.98Å; Y241-M245 PolarHBondContact O-N 3.34Å |
| 242 | Q | 61.9 | Low | 58.9 | Low | 150 Ų | 150 | 126.8 Ų | 126.8 | 70% | 0.701 | 65% | 0.647 | S | S | * | * | H | α-helix | trans | -66.9 | -30.2 | -177.3 | -161.7 | 165.8 | 0.8 | 0 | 0 | 113.7 | A238 Q239 M245 A246 | A238-Q242 PolarHBondContact O-N 3.49Å; Q239-Q242 PolarHBondContact O-N 3.16Å; Q242-M245 PolarHBondContact O-N 3.02Å; Q242-A246 PolarHBondContact O-N 2.76Å |
| 243 | Q | 59.6 | Low | 57.1 | Low | 148 Ų | 148 | 129.9 Ų | 129.9 | 69% | 0.692 | 66% | 0.664 | S | S | * | * | H | α-helix | trans | -74.9 | -29.6 | 176.4 | -72.9 | -173.4 | 56.9 | 0 | 0 | 114.2 | Q239 Y241 M245 | Q239-Q243 PolarHBondContact O-N 2.95Å; Y241-Q243 VanDerWaalsContact C-N 3.33Å; Y241-Q243 PolarHBondContact O-N 3.06Å; Q243-M245 PolarHBondContact O-N 3.09Å |
| 244 | Q | 56.9 | Low | 55.7 | Low | 111 Ų | 111 | 128.7 Ų | 128.7 | 52% | 0.519 | 67% | 0.669 | S | S | . | * | H | α-helix | trans | -70.6 | -21.8 | 170.4 | -11.9 | -178.9 | 14.6 | 0 | 0 | 111 | Q240 Y241 Y248 | Q240-Q244 WeakPolarHBondContact O-CG 3.24Å; Q240-Q244 PolarHBondContact O-NE2 3.42Å; Q240-Q244 VanDerWaalsContact O-NE2 3.14Å; Y241-Q244 PolarHBondContact O-N 3.28Å; Q244-Y248 WeakPolarHBondContact O-CE1 3.44Å |
| 245 | M | 49.9 | Very low | 54.5 | Low | 97 Ų | 97 | 125.3 Ų | 125.3 | 48% | 0.478 | 67% | 0.67 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -94.8 | 1.1 | -171.3 | -58.7 | -75.7 | -83.4 | 0 | 0 | 113.7 | Y241 Q242 Q243 Y248 | Y241-M245 HydrophobicContact CD1-CG 4.02Å; Y241-M245 HydrophobicContact CD1-SD 4.21Å; Y241-M245 HydrophobicContact CE1-CE 4.42Å; Y241-M245 HydrophobicContact CE1-SD 4.12Å; Y241-M245 WeakPolarHBondContact O-CG 2.98Å; Y241-M245 PolarHBondContact O-N 3.34Å; Q242-M245 PolarHBondContact O-N 3.02Å; Q243-M245 PolarHBondContact O-N 3.09Å; M245-Y248 VanDerWaalsContact CA-CE1 3.49Å; M245-Y248 VanDerWaalsContact CA-CZ 3.49Å; M245-Y248 VanDerWaalsContact CA-OH 3.3Å; M245-Y248 WeakPolarHBondContact CA-OH 3.42Å; M245-Y248 HydrophobicContact CB-CE1 4.23Å; M245-Y248 WeakPolarHBondContact CB-OH 3.5Å; M245-Y248 VanDerWaalsContact CE-OH 3.24Å; M245-Y248 WeakPolarHBondContact CE-OH 3.46Å; M245-Y248 HydrophobicContact CG-CE1 4.45Å; M245-Y248 WeakPolarHBondContact O-CE2 3.48Å; M245-Y248 VanDerWaalsContact O-CZ 3.28Å; M245-Y248 PolarHBondContact O-OH 3.1Å; M245-Y248 HydrophobicContact SD-CE1 3.81Å; M245-Y248 PolarHBondContact SD-OH 3.26Å |
| 246 | A | 48.1 | Very low | 53.5 | Low | 88 Ų | 88 | 125 Ų | 125 | 73% | 0.727 | 68% | 0.678 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -103.2 | 1 | 178.3 | 0 | 0 | 0 | 0 | 0 | 114.2 | Q242 | Q242-A246 PolarHBondContact O-N 2.76Š|
| 247 | G | 47.7 | Very low | 52.4 | Low | 69 Ų | 69 | 125.2 Ų | 125.2 | 71% | 0.711 | 69% | 0.687 | S | S | * | * | S | Bend | trans | -107.3 | 3.3 | -169.4 | 0 | 0 | 0 | 0 | 0 | 117 | | |
| 248 | Y | 45.6 | Very low | 51.6 | Low | 144 Ų | 144 | 129.4 Ų | 129.4 | 57% | 0.565 | 70% | 0.697 | S | S | * | * | | | trans | -122.7 | 47 | -168.2 | 49.6 | -126.5 | 0 | 0 | 0 | 114.9 | Q244 M245 Q250 | Q244-Y248 WeakPolarHBondContact O-CE1 3.44Å; M245-Y248 VanDerWaalsContact CA-CE1 3.49Å; M245-Y248 VanDerWaalsContact CA-CZ 3.49Å; M245-Y248 VanDerWaalsContact CA-OH 3.3Å; M245-Y248 WeakPolarHBondContact CA-OH 3.42Å; M245-Y248 HydrophobicContact CB-CE1 4.23Å; M245-Y248 WeakPolarHBondContact CB-OH 3.5Å; M245-Y248 VanDerWaalsContact CE-OH 3.24Å; M245-Y248 WeakPolarHBondContact CE-OH 3.46Å; M245-Y248 HydrophobicContact CG-CE1 4.45Å; M245-Y248 WeakPolarHBondContact O-CE2 3.48Å; M245-Y248 VanDerWaalsContact O-CZ 3.28Å; M245-Y248 PolarHBondContact O-OH 3.1Å; M245-Y248 HydrophobicContact SD-CE1 3.81Å; M245-Y248 PolarHBondContact SD-OH 3.26Å; Y248-Q250 PolarHBondContact O-N 3.07Å |
| 249 | T | 40.8 | Very low | 50.9 | Low | 138 Ų | 138 | 135.1 Ų | 135.1 | 85% | 0.847 | 72% | 0.716 | S | S | * | * | | | trans | -62.4 | 129.9 | 157.5 | 52.7 | 0 | 0 | 0 | 0 | 108.9 | | |
| 250 | Q | 43 | Very low | 50.6 | Low | 191 Ų | 191 | 134.7 Ų | 134.7 | 89% | 0.893 | 72% | 0.721 | S | S | * | * | S | Bend | trans | 95 | 108.7 | 170.3 | -159.2 | 173.2 | 55.4 | 0 | 0 | 117.8 | Y248 | Y248-Q250 PolarHBondContact O-N 3.07Š|
| 251 | S | 41.9 | Very low | 50.4 | Low | 98 Ų | 98 | 134.2 Ų | 134.2 | 69% | 0.685 | 73% | 0.729 | S | S | * | * | | | trans | 84.9 | 135.8 | 151.5 | -151.9 | 0 | 0 | 0 | 0 | 120.9 | | |
| 252 | Q | 44.1 | Very low | 49.8 | Very low | 177 Ų | 177 | 132.8 Ų | 132.8 | 83% | 0.827 | 74% | 0.741 | S | S | * | * | | | trans | 55.3 | 110.8 | 157.4 | -76.9 | 173.4 | -17.7 | 0 | 0 | 119.5 | P254 | Q252-P254 WeakPolarHBondContact O-CD 3.18Š|
| 253 | M | 40.1 | Very low | 49.1 | Very low | 189 Ų | 189 | 131.4 Ų | 131.4 | 93% | 0.931 | 75% | 0.748 | S | S | * | * | | | trans | -76.2 | 134.9 | 157.5 | -47.5 | -147.9 | -72.4 | 0 | 0 | 109.9 | | |
| 254 | P | 46.6 | Very low | 48.3 | Very low | 117 Ų | 117 | 130.7 Ų | 130.7 | 76% | 0.76 | 75% | 0.748 | S | S | * | * | | | trans | -124.1 | 135 | 144.3 | 31.5 | -19.8 | 0 | 0 | 0 | 110.9 | Q252 | Q252-P254 WeakPolarHBondContact O-CD 3.18Š|
| 255 | G | 48.7 | Very low | 47.6 | Very low | 64 Ų | 64 | 132.4 Ų | 132.4 | 66% | 0.66 | 76% | 0.761 | S | S | * | * | | | trans | -69.6 | 174.9 | -178.5 | 0 | 0 | 0 | 0 | 0 | 113.9 | V257 | G255-V257 WeakPolarHBondContact O-CG2 3.3Å; G255-V257 PolarHBondContact O-N 3.21Å |
| 256 | T | 52 | Low | 47.5 | Very low | 130 Ų | 130 | 133 Ų | 133 | 80% | 0.798 | 77% | 0.77 | S | S | * | * | | | trans | -43.1 | 100.4 | 177.5 | -51.1 | 0 | 0 | 0 | 0 | 113.7 | | |
| 257 | V | 48.3 | Very low | 47.1 | Very low | 125 Ų | 125 | 138.1 Ų | 138.1 | 76% | 0.758 | 78% | 0.779 | S | S | * | * | | | trans | -106.4 | 110.4 | 166.9 | -166.7 | 0 | 0 | 0 | 0 | 109.2 | G255 M259 | G255-V257 WeakPolarHBondContact O-CG2 3.3Å; G255-V257 PolarHBondContact O-N 3.21Å; V257-M259 PolarHBondContact O-N 3.27Å; V257-M259 VanDerWaalsContact O-N 3.11Å |
| 258 | W | 51.7 | Low | 46.6 | Very low | 227 Ų | 227 | 138.5 Ų | 138.5 | 86% | 0.86 | 78% | 0.783 | S | S | * | * | | | trans | -72.3 | 99.3 | 165.1 | -72 | 96.2 | 0 | 0 | 0 | 108.4 | V260 | W258-V260 PolarHBondContact O-N 3.06Å; W258-V260 VanDerWaalsContact O-N 3.15Å |
| 259 | M | 52.7 | Low | 46.2 | Very low | 178 Ų | 178 | 136.1 Ų | 136.1 | 88% | 0.877 | 80% | 0.802 | S | S | * | * | | | trans | -72.8 | 106.8 | -178.5 | -172 | 176.5 | -111.6 | 0 | 0 | 110.8 | V257 | V257-M259 PolarHBondContact O-N 3.27Å; V257-M259 VanDerWaalsContact O-N 3.11Å |
| 260 | V | 61 | Low | 46.1 | Very low | 117 Ų | 117 | 133.3 Ų | 133.3 | 71% | 0.709 | 80% | 0.8 | S | S | * | * | | | trans | -88.6 | 128.2 | 167.6 | 176.2 | 0 | 0 | 0 | 0 | 108.4 | W258 S262 | W258-V260 PolarHBondContact O-N 3.06Å; W258-V260 VanDerWaalsContact O-N 3.15Å; V260-S262 PolarHBondContact O-N 3.06Å |
| 261 | P | 59 | Low | 46.2 | Very low | 115 Ų | 115 | 130.8 Ų | 130.8 | 75% | 0.747 | 80% | 0.799 | S | S | * | * | | | trans | -71.8 | 102.4 | 176 | 28.4 | -32.7 | 0 | 0 | 0 | 110 | S263 | P261-S263 PolarHBondContact O-N 3.47Š|
| 262 | S | 45.7 | Very low | 46.1 | Very low | 116 Ų | 116 | 132.2 Ų | 132.2 | 81% | 0.811 | 81% | 0.806 | S | S | * | * | | | trans | -83.9 | 108.2 | 176.1 | -153.2 | 0 | 0 | 0 | 0 | 109.9 | V260 | V260-S262 PolarHBondContact O-N 3.06Š|
| 263 | S | 46.9 | Very low | 46.2 | Very low | 121 Ų | 121 | 129.8 Ų | 129.8 | 85% | 0.846 | 81% | 0.808 | S | S | * | * | | | trans | -101 | 99.2 | 172.2 | -63 | 0 | 0 | 0 | 0 | 109 | P261 | P261-S263 PolarHBondContact O-N 3.47Š|
| 264 | N | 44.4 | Very low | 46.5 | Very low | 133 Ų | 133 | 126.6 Ų | 126.6 | 71% | 0.711 | 80% | 0.804 | S | S | * | * | | | trans | -124.3 | 126.1 | 166 | -165.8 | 18.7 | 0 | 0 | 0 | 111.1 | | |
| 265 | N | 41.6 | Very low | 46.1 | Very low | 147 Ų | 147 | 125 Ų | 125 | 79% | 0.786 | 81% | 0.809 | S | S | * | * | | | trans | -101.2 | 103.3 | 179.1 | 169.6 | 19.8 | 0 | 0 | 0 | 108.5 | | |
| 266 | T | 46.9 | Very low | 45.5 | Very low | 109 Ų | 109 | 126 Ų | 126 | 67% | 0.669 | 82% | 0.819 | S | S | * | * | | | trans | -138 | 81.7 | 169.5 | 52.5 | 0 | 0 | 0 | 0 | 111.1 | | |
| 267 | Q | 40.7 | Very low | 44.9 | Very low | 196 Ų | 196 | 126.3 Ų | 126.3 | 92% | 0.916 | 83% | 0.827 | S | S | * | * | | | | 28 | 102.8 | 124.2 | -166.9 | 169.8 | 52 | 0 | 0 | 116.6 | | |
| 268 | G | 37.1 | Very low | 44.4 | Very low | 76 Ų | 76 | 124 Ų | 124 | 78% | 0.784 | 83% | 0.829 | S | S | * | * | | | trans | -168.4 | 115 | 173.3 | 0 | 0 | 0 | 0 | 0 | 111.7 | | |
| 269 | G | 36.5 | Very low | 43.7 | Very low | 94 Ų | 94 | 116.6 Ų | 116.6 | 97% | 0.969 | 82% | 0.822 | S | S | * | * | | | trans | -59.5 | 150 | -162.3 | 0 | 0 | 0 | 0 | 0 | 118.4 | | |
| 270 | G | 39.9 | Very low | 43.1 | Very low | 79 Ų | 79 | 113.6 Ų | 113.6 | 81% | 0.814 | 82% | 0.817 | S | S | * | * | | | trans | -173.8 | 123.9 | 170.9 | 0 | 0 | 0 | 0 | 0 | 110.4 | | |
| 271 | T | 45.1 | Very low | 41.9 | Very low | 139 Ų | 139 | 114.5 Ų | 114.5 | 85% | 0.853 | 82% | 0.824 | S | S | * | * | | | trans | -73.5 | 153 | -171.7 | 42.3 | 0 | 0 | 0 | 0 | 114.2 | | |
| 272 | P | 39.2 | Very low | 41.2 | Very low | 128 Ų | 128 | 112.4 Ų | 112.4 | 83% | 0.831 | 82% | 0.823 | S | S | * | * | | | trans | -82 | 146.8 | -176 | 34 | -35.3 | 0 | 0 | 0 | 112.9 | | |
| 273 | S | 45.8 | Very low | 41 | Very low | 125 Ų | 125 | 115.2 Ų | 115.2 | 87% | 0.874 | 82% | 0.823 | S | S | * | * | | | trans | -126.4 | 149.7 | 160.4 | 66.4 | 0 | 0 | 0 | 0 | 110.7 | | |
| 274 | S | 46.3 | Very low | 40.7 | Very low | 123 Ų | 123 | 114.3 Ų | 114.3 | 86% | 0.86 | 82% | 0.817 | S | S | * | * | | | trans | -89.7 | 149.3 | -165.5 | 54.1 | 0 | 0 | 0 | 0 | 114.3 | | |
| 275 | G | 38.9 | Very low | 41.2 | Very low | 84 Ų | 84 | 114.8 Ų | 114.8 | 87% | 0.866 | 82% | 0.818 | S | S | * | * | | | trans | 122.1 | 142.3 | 149 | 0 | 0 | 0 | 0 | 0 | 115.3 | | |
| 276 | G | 36.5 | Very low | 41.3 | Very low | 84 Ų | 84 | 118 Ų | 118 | 87% | 0.866 | 82% | 0.819 | S | S | * | * | | | trans | 130 | 86.3 | 170.9 | 0 | 0 | 0 | 0 | 0 | 114 | | |
| 277 | S | 38.6 | Very low | 41.5 | Very low | 136 Ų | 136 | 119.1 Ų | 119.1 | 95% | 0.951 | 83% | 0.826 | S | S | * | * | | | trans | -72 | 136.7 | 169.1 | 164.3 | 0 | 0 | 0 | 0 | 111.6 | | |
| 278 | G | 38.1 | Very low | 42 | Very low | 78 Ų | 78 | 118.3 Ų | 118.3 | 80% | 0.804 | 82% | 0.82 | S | S | * | * | | | trans | 133.5 | 136 | 157.7 | 0 | 0 | 0 | 0 | 0 | 115 | | |
| 279 | G | 36.5 | Very low | 42.8 | Very low | 70 Ų | 70 | 120.7 Ų | 120.7 | 72% | 0.722 | 82% | 0.821 | S | S | * | * | | | trans | 141.4 | 86.8 | 167.7 | 0 | 0 | 0 | 0 | 0 | 116 | | |
| 280 | C | 39.7 | Very low | 43.1 | Very low | 115 Ų | 115 | 125.1 Ų | 125.1 | 78% | 0.777 | 82% | 0.817 | S | S | * | * | | | trans | 5.5 | 118 | 149.8 | 43.5 | 0 | 0 | 0 | 0 | 120.7 | | |
| 281 | T | 36.4 | Very low | 43.1 | Very low | 137 Ų | 137 | 130.2 Ų | 130.2 | 84% | 0.84 | 82% | 0.822 | S | S | * | * | | | | 27.6 | 113.5 | 123.9 | 57.8 | 0 | 0 | 0 | 0 | 118.8 | | |
| 282 | G | 43.4 | Very low | 43 | Very low | 71 Ų | 71 | 127 Ų | 127 | 73% | 0.732 | 82% | 0.816 | S | S | * | * | | | trans | -155.5 | 46.9 | 173.6 | 0 | 0 | 0 | 0 | 0 | 113.1 | S284 | G282-S284 PolarHBondContact O-N 3.48Š|
| 283 | E | 42.8 | Very low | 42.9 | Very low | 174 Ų | 174 | 127 Ų | 127 | 81% | 0.813 | 82% | 0.819 | S | S | * | * | | | trans | -64.6 | 114.9 | -179.4 | 60.3 | -164.1 | 134.3 | 0 | 0 | 111.9 | I285 | E283-I285 PolarHBondContact O-N 3.25Š|
| 284 | S | 41.3 | Very low | 42.6 | Very low | 102 Ų | 102 | 125.5 Ų | 125.5 | 71% | 0.713 | 81% | 0.814 | S | S | * | * | | | trans | -84.3 | 109.6 | -177.7 | -72.2 | 0 | 0 | 0 | 0 | 110.7 | G282 W286 | G282-S284 PolarHBondContact O-N 3.48Å; S284-W286 PolarHBondContact O-N 3.49Å |
| 285 | I | 53.6 | Low | 42.3 | Very low | 143 Ų | 143 | 126.5 Ų | 126.5 | 73% | 0.733 | 82% | 0.815 | S | S | * | * | S | Bend | trans | -68.1 | 10.1 | -164.5 | -70.2 | 161.1 | 0 | 0 | 0 | 115.4 | E283 | E283-I285 PolarHBondContact O-N 3.25Š|
| 286 | W | 44.7 | Very low | 42.3 | Very low | 215 Ų | 215 | 127.7 Ų | 127.7 | 81% | 0.814 | 82% | 0.817 | S | S | * | * | | | trans | -135.9 | 49.7 | -174.3 | -63.1 | 100.5 | 0 | 0 | 0 | 114.4 | S284 F288 | S284-W286 PolarHBondContact O-N 3.49Å; W286-F288 PolarHBondContact O-N 3.04Å |
| 287 | T | 51.1 | Low | 42.4 | Very low | 132 Ų | 132 | 128.5 Ų | 128.5 | 81% | 0.81 | 82% | 0.815 | S | S | * | * | | | trans | -79.2 | 114.5 | 169.9 | 48.5 | 0 | 0 | 0 | 0 | 111.3 | | |
| 288 | F | 50.5 | Low | 42.6 | Very low | 179 Ų | 179 | 127 Ų | 127 | 79% | 0.785 | 81% | 0.812 | S | S | * | * | | | trans | -77.4 | 149.6 | 164.4 | -69.8 | -83.2 | 0 | 0 | 0 | 109.8 | W286 Q290 | W286-F288 PolarHBondContact O-N 3.04Å; F288-Q290 PolarHBondContact O-N 3.1Å; F288-Q290 VanDerWaalsContact O-N 3.08Å |
| 289 | P | 54.2 | Low | 42.7 | Very low | 126 Ų | 126 | 127.6 Ų | 127.6 | 82% | 0.818 | 81% | 0.809 | S | S | * | * | | | trans | -70.7 | 109.1 | -169 | 27.2 | -34.9 | 0 | 0 | 0 | 112.3 | M291 | P289-M291 PolarHBondContact O-N 3.48Š|
| 290 | Q | 41.6 | Very low | 43.2 | Very low | 188 Ų | 188 | 130.1 Ų | 130.1 | 88% | 0.879 | 81% | 0.81 | S | S | * | * | | | trans | -75.4 | 100.4 | 165.8 | -175.8 | 174 | -81.9 | 0 | 0 | 109.1 | F288 | F288-Q290 PolarHBondContact O-N 3.1Å; F288-Q290 VanDerWaalsContact O-N 3.08Å |
| 291 | M | 40.8 | Very low | 43.3 | Very low | 186 Ų | 186 | 135.4 Ų | 135.4 | 92% | 0.916 | 82% | 0.815 | S | S | * | * | | | trans | -81.5 | 134.6 | 166.4 | 59.2 | 171.9 | 173.1 | 0 | 0 | 110.4 | P289 | P289-M291 PolarHBondContact O-N 3.48Š|
| 292 | G | 42.7 | Very low | 43.7 | Very low | 70 Ų | 70 | 140.7 Ų | 140.7 | 72% | 0.722 | 82% | 0.82 | S | S | * | * | | | trans | 104.4 | 93.2 | 167.6 | 0 | 0 | 0 | 0 | 0 | 115.9 | | |
| 293 | S | 36.9 | Very low | 43.3 | Very low | 130 Ų | 130 | 141.2 Ų | 141.2 | 91% | 0.909 | 83% | 0.825 | S | S | * | * | | | | -152 | 152.2 | 114.7 | -164.6 | 0 | 0 | 0 | 0 | 109.5 | | |
| 294 | A | 39.7 | Very low | 43.4 | Very low | 92 Ų | 92 | 138.1 Ų | 138.1 | 76% | 0.76 | 82% | 0.822 | S | S | * | * | | | trans | -82 | 137.2 | -164.4 | 0 | 0 | 0 | 0 | 0 | 113.5 | | |
| 295 | T | 40.3 | Very low | 43.8 | Very low | 144 Ų | 144 | 140 Ų | 140 | 88% | 0.883 | 83% | 0.83 | S | S | * | * | | | trans | -120.2 | 144.6 | 141.5 | 41.6 | 0 | 0 | 0 | 0 | 108.5 | A297 | T295-A297 PolarHBondContact O-N 3.08Š|
| 296 | A | 38.2 | Very low | 43.5 | Very low | 110 Ų | 110 | 138.6 Ų | 138.6 | 91% | 0.909 | 83% | 0.829 | S | S | * | * | | | trans | -73 | 128.3 | -159.8 | 0 | 0 | 0 | 0 | 0 | 113.8 | | |
| 297 | A | 40.5 | Very low | 43.4 | Very low | 100 Ų | 100 | 134.3 Ų | 134.3 | 83% | 0.826 | 83% | 0.832 | S | S | * | * | | | trans | -155.1 | 137 | 150.9 | 0 | 0 | 0 | 0 | 0 | 110.3 | T295 | T295-A297 PolarHBondContact O-N 3.08Š|
| 298 | A | 40.9 | Very low | 43.1 | Very low | 106 Ų | 106 | 131.4 Ų | 131.4 | 88% | 0.876 | 83% | 0.828 | S | S | * | * | | | trans | -58.3 | 137.8 | -178.3 | 0 | 0 | 0 | 0 | 0 | 114.6 | | |
| 299 | A | 41.7 | Very low | 43.1 | Very low | 90 Ų | 90 | 129.7 Ų | 129.7 | 74% | 0.744 | 83% | 0.827 | S | S | * | * | | | | -176 | 108.2 | 127.4 | 0 | 0 | 0 | 0 | 0 | 111.5 | | |
| 300 | V | 45.7 | Very low | 43 | Very low | 123 Ų | 123 | 132.4 Ų | 132.4 | 75% | 0.745 | 83% | 0.828 | S | S | * | * | | | trans | 4.6 | 145.9 | 147.5 | -67.4 | 0 | 0 | 0 | 0 | 121 | | |
| 301 | Y | 42.2 | Very low | 43.6 | Very low | 225 Ų | 225 | 131.6 Ų | 131.6 | 88% | 0.882 | 82% | 0.822 | S | S | * | * | | | trans | 81.8 | 65.9 | 167.5 | -56.2 | -78.7 | 0 | 0 | 0 | 119.7 | | |
| 302 | R | 45.6 | Very low | 44.4 | Very low | 249 Ų | 249 | 130.1 Ų | 130.1 | 94% | 0.94 | 82% | 0.815 | S | S | * | * | | | trans | -149.2 | 126.4 | 136.6 | -149.8 | 176.4 | -173.1 | -169.1 | 1.3 | 111.6 | | |
| 303 | G | 35 | Very low | 44.8 | Very low | 82 Ų | 82 | 133.8 Ų | 133.8 | 85% | 0.845 | 82% | 0.818 | S | S | * | * | | | trans | -70.1 | 144.3 | -178.6 | 0 | 0 | 0 | 0 | 0 | 113 | | |
| 304 | S | 44.6 | Very low | 45.7 | Very low | 108 Ų | 108 | 136.4 Ų | 136.4 | 76% | 0.755 | 81% | 0.813 | S | S | * | * | | | trans | -109 | 132.6 | 173.2 | 179 | 0 | 0 | 0 | 0 | 109.8 | | |
| 305 | V | 50.1 | Low | 46.8 | Very low | 143 Ų | 143 | 137.5 Ų | 137.5 | 87% | 0.867 | 81% | 0.813 | S | S | * | * | | | trans | -136.8 | 119.6 | 159.9 | -74.2 | 0 | 0 | 0 | 0 | 109 | | |
| 306 | P | 46.1 | Very low | 47.8 | Very low | 112 Ų | 112 | 134.7 Ų | 134.7 | 73% | 0.727 | 80% | 0.804 | S | S | * | * | | | trans | -99 | 124.4 | 172.8 | 34.2 | -28.6 | 0 | 0 | 0 | 111.2 | | |
| 307 | S | 44.3 | Very low | 49 | Very low | 126 Ų | 126 | 135.6 Ų | 135.6 | 88% | 0.881 | 80% | 0.8 | S | S | * | * | | | trans | -170.8 | 136.7 | 162.2 | -78.2 | 0 | 0 | 0 | 0 | 106.1 | | |
| 308 | G | 43.1 | Very low | 50 | Low | 70 Ų | 70 | 137.4 Ų | 137.4 | 72% | 0.722 | 80% | 0.801 | S | S | * | * | | | cis | 118 | 88.8 | 20.4 | 0 | 0 | 0 | 0 | 0 | 108.1 | | |
| 309 | L | 51.9 | Low | 50.6 | Low | 144 Ų | 144 | 136.5 Ų | 136.5 | 75% | 0.754 | 79% | 0.793 | S | S | * | * | | | trans | -166.7 | 120.7 | 165.8 | -106.4 | 159.6 | 0 | 0 | 0 | 109.5 | F311 | L309-F311 HydrophobicContact CB-CE2 4.12Å; L309-F311 HydrophobicContact CD1-CE2 4.48Å; L309-F311 HydrophobicContact CD2-CE2 3.69Å; L309-F311 HydrophobicContact CD2-CZ 3.77Å; L309-F311 HydrophobicContact CG-CE2 4.3Å |
| 310 | H | 51 | Low | 51.2 | Low | 183 Ų | 183 | 140.4 Ų | 140.4 | 85% | 0.847 | 80% | 0.801 | S | S | * | * | | | trans | -89.1 | 130.1 | 178.1 | -61.1 | -105 | 0 | 0 | 0 | 109.6 | | |
| 311 | F | 54.3 | Low | 52.1 | Low | 170 Ų | 170 | 142.2 Ų | 142.2 | 75% | 0.746 | 81% | 0.805 | S | S | * | * | | | trans | -132.9 | 110.1 | 167.1 | -73.7 | -69.3 | 0 | 0 | 0 | 112.4 | L309 | L309-F311 HydrophobicContact CB-CE2 4.12Å; L309-F311 HydrophobicContact CD1-CE2 4.48Å; L309-F311 HydrophobicContact CD2-CE2 3.69Å; L309-F311 HydrophobicContact CD2-CZ 3.77Å; L309-F311 HydrophobicContact CG-CE2 4.3Å |
| 312 | M | 58.3 | Low | 52.4 | Low | 155 Ų | 155 | 137.7 Ų | 137.7 | 76% | 0.764 | 80% | 0.804 | S | S | * | * | | | trans | 66.6 | 91.9 | 154.1 | -52.6 | -133.3 | 71.2 | 0 | 0 | 118.4 | | |
| 313 | N | 49.9 | Very low | 52.7 | Low | 147 Ų | 147 | 129.4 Ų | 129.4 | 79% | 0.786 | 80% | 0.795 | S | S | * | * | P | Polyproline II helix | trans | -49.6 | 127.6 | 147.4 | 178 | -8.5 | 0 | 0 | 0 | 110.9 | | |
| 314 | F | 56 | Low | 53.3 | Low | 185 Ų | 185 | 134.7 Ų | 134.7 | 81% | 0.811 | 80% | 0.798 | S | S | * | * | P | Polyproline II helix | trans | -100 | 124 | 170.3 | -81.1 | -88.9 | 0 | 0 | 0 | 110 | | |
| 315 | P | 62.4 | Low | 53.3 | Low | 116 Ų | 116 | 137.5 Ų | 137.5 | 75% | 0.753 | 80% | 0.799 | S | S | * | * | P | Polyproline II helix | trans | -71.2 | 137.9 | 176.4 | 29.1 | -33.5 | 0 | 0 | 0 | 111.4 | | |
| 316 | A | 61.5 | Low | 53 | Low | 84 Ų | 84 | 138.1 Ų | 138.1 | 69% | 0.694 | 80% | 0.797 | S | S | * | * | P | Polyproline II helix | trans | -68.8 | 147.6 | 177.6 | 0 | 0 | 0 | 0 | 0 | 112.1 | V318 | A316-V318 PolarHBondContact O-N 3.27Š|
| 317 | P | 64.8 | Low | 53 | Low | 129 Ų | 129 | 135.7 Ų | 135.7 | 84% | 0.838 | 79% | 0.792 | S | S | * | * | P | Polyproline II helix | trans | -69.2 | 125.8 | 173.4 | 28.9 | -33.5 | 0 | 0 | 0 | 110.6 | A319 | P317-A319 PolarHBondContact O-N 3.05Š|
| 318 | V | 60.1 | Low | 52.9 | Low | 139 Ų | 139 | 138.5 Ų | 138.5 | 84% | 0.842 | 80% | 0.796 | S | S | * | * | P | Polyproline II helix | trans | -74.5 | 121.4 | -178.9 | -164.7 | 0 | 0 | 0 | 0 | 109.8 | A316 | A316-V318 PolarHBondContact O-N 3.27Š|
| 319 | A | 53.4 | Low | 52.8 | Low | 87 Ų | 87 | 139 Ų | 139 | 72% | 0.719 | 80% | 0.801 | S | S | * | * | P | Polyproline II helix | trans | -79 | 126.4 | 173.8 | 0 | 0 | 0 | 0 | 0 | 110.5 | P317 L321 | P317-A319 PolarHBondContact O-N 3.05Å; A319-L321 PolarHBondContact O-N 3.24Å |
| 320 | L | 54.5 | Low | 52.6 | Low | 171 Ų | 171 | 137 Ų | 137 | 90% | 0.895 | 80% | 0.799 | S | S | * | * | P | Polyproline II helix | trans | -77.5 | 118.4 | 174.6 | -126.1 | 83.4 | 0 | 0 | 0 | 110.2 | | |
| 321 | L | 64.6 | Low | 52.2 | Low | 161 Ų | 161 | 135.3 Ų | 135.3 | 84% | 0.843 | 80% | 0.802 | S | S | * | * | P | Polyproline II helix | trans | -92.7 | 133 | 170.8 | -125.2 | 73.6 | 0 | 0 | 0 | 109.8 | A319 G323 | A319-L321 PolarHBondContact O-N 3.24Å; L321-G323 PolarHBondContact O-N 3.37Å |
| 322 | P | 49.1 | Very low | 51.6 | Low | 131 Ų | 131 | 131 Ų | 131 | 85% | 0.851 | 81% | 0.806 | S | S | * | * | | | trans | -82.2 | 112.5 | 171 | 31.2 | -30.5 | 0 | 0 | 0 | 110.4 | | |
| 323 | G | 51.5 | Low | 50.9 | Low | 74 Ų | 74 | 127.5 Ų | 127.5 | 76% | 0.763 | 81% | 0.809 | S | S | * | * | | | trans | -119.1 | 133.7 | 175.6 | 0 | 0 | 0 | 0 | 0 | 111.7 | L321 | L321-G323 PolarHBondContact O-N 3.37Š|
| 324 | Q | 47.7 | Very low | 50.5 | Low | 193 Ų | 193 | 124.9 Ų | 124.9 | 90% | 0.902 | 82% | 0.817 | S | S | * | * | | | trans | -85.1 | 145.3 | -177.4 | -49.5 | -179.4 | 16.4 | 0 | 0 | 111.8 | | |
| 325 | Q | 44 | Very low | 49.8 | Very low | 167 Ų | 167 | 120 Ų | 120 | 78% | 0.78 | 82% | 0.818 | S | S | * | * | | | | 171.2 | 140.4 | 125.7 | -105.4 | -178.8 | -156.4 | 0 | 0 | 114.4 | | |
| 326 | L | 44.3 | Very low | 48.8 | Very low | 157 Ų | 157 | 118.7 Ų | 118.7 | 82% | 0.822 | 83% | 0.827 | S | S | * | * | | | trans | 61.2 | 146.3 | 150.5 | -54.5 | 166 | 0 | 0 | 0 | 118.6 | | |
| 327 | G | 46.3 | Very low | 48 | Very low | 61 Ų | 61 | 118.4 Ų | 118.4 | 63% | 0.629 | 83% | 0.832 | S | S | * | * | | | cis | 139.9 | 100 | -5 | 0 | 0 | 0 | 0 | 0 | 113.8 | | |
| 328 | L | 42 | Very low | 46.8 | Very low | 184 Ų | 184 | 119 Ų | 119 | 96% | 0.963 | 84% | 0.839 | S | S | * | * | | | trans | 79.1 | 137.4 | 159 | -54.1 | 167.7 | 0 | 0 | 0 | 120.5 | | |
| 329 | G | 41.5 | Very low | 46.1 | Very low | 80 Ų | 80 | 115.9 Ų | 115.9 | 83% | 0.825 | 84% | 0.835 | S | S | * | * | | | trans | 91.1 | 131.9 | 152.9 | 0 | 0 | 0 | 0 | 0 | 117.7 | | |
| 330 | S | 47.6 | Very low | 45.5 | Very low | 102 Ų | 102 | 115.9 Ų | 115.9 | 71% | 0.713 | 84% | 0.844 | S | S | * | * | | | cis | 156.7 | 125.5 | -28.2 | -179.9 | 0 | 0 | 0 | 0 | 107.4 | | |
| 331 | V | 42.9 | Very low | 44.7 | Very low | 148 Ų | 148 | 111.4 Ų | 111.4 | 90% | 0.897 | 84% | 0.838 | S | S | * | * | | | trans | 53.6 | 141.8 | 161.2 | -58.5 | 0 | 0 | 0 | 0 | 122.2 | | |
| 332 | G | 42.2 | Very low | 43.6 | Very low | 80 Ų | 80 | 110 Ų | 110 | 83% | 0.825 | 84% | 0.842 | S | S | * | * | | | trans | 150.1 | 73.7 | 148.1 | 0 | 0 | 0 | 0 | 0 | 120.3 | | |
| 333 | G | 41.9 | Very low | 43.1 | Very low | 82 Ų | 82 | 107.5 Ų | 107.5 | 85% | 0.845 | 84% | 0.841 | S | S | * | * | | | trans | 64.2 | 104.1 | 134 | 0 | 0 | 0 | 0 | 0 | 122.9 | | |
| 334 | G | 41.6 | Very low | 42.8 | Very low | 91 Ų | 91 | 107.8 Ų | 107.8 | 94% | 0.938 | 84% | 0.844 | S | S | * | * | | | | 73.9 | 129.2 | 114.9 | 0 | 0 | 0 | 0 | 0 | 121.6 | | |
| 335 | G | 42.1 | Very low | 42.5 | Very low | 82 Ų | 82 | 106.6 Ų | 106.6 | 85% | 0.845 | 84% | 0.838 | S | S | * | * | | | trans | 155.6 | 104.7 | 164.5 | 0 | 0 | 0 | 0 | 0 | 112.6 | | |
| 336 | G | 41.2 | Very low | 42.6 | Very low | 90 Ų | 90 | 101.9 Ų | 101.9 | 93% | 0.928 | 83% | 0.834 | S | S | * | * | | | trans | -84.5 | 159.7 | -176.4 | 0 | 0 | 0 | 0 | 0 | 114.4 | | |
| 337 | G | 43.8 | Very low | 42.9 | Very low | 78 Ų | 78 | 102 Ų | 102 | 80% | 0.804 | 83% | 0.83 | S | S | * | * | | | trans | -169.5 | 91 | 175.2 | 0 | 0 | 0 | 0 | 0 | 112 | G339 | G337-G339 PolarHBondContact O-N 2.94Š|
| 338 | S | 40.8 | Very low | 43.4 | Very low | 140 Ų | 140 | 108.1 Ų | 108.1 | 98% | 0.979 | 85% | 0.845 | S | S | * | * | | | trans | -76.3 | 114.3 | 174.8 | -59.2 | 0 | 0 | 0 | 0 | 110.5 | | |
| 339 | G | 45.3 | Very low | 44 | Very low | 74 Ų | 74 | 102 Ų | 102 | 76% | 0.763 | 83% | 0.826 | S | S | * | * | | | trans | -153.8 | 116.6 | 172.8 | 0 | 0 | 0 | 0 | 0 | 109.1 | G337 | G337-G339 PolarHBondContact O-N 2.94Š|
| 340 | G | 40.1 | Very low | 44.7 | Very low | 88 Ų | 88 | 106 Ų | 106 | 91% | 0.907 | 83% | 0.827 | S | S | * | * | | | trans | -82.4 | 172.9 | -170.5 | 0 | 0 | 0 | 0 | 0 | 114.1 | | |
| 341 | G | 39.1 | Very low | 44.9 | Very low | 76 Ų | 76 | 109.6 Ų | 109.6 | 78% | 0.784 | 84% | 0.837 | S | S | * | * | | | trans | 143.8 | 103.7 | 162.6 | 0 | 0 | 0 | 0 | 0 | 116 | | |
| 342 | S | 41.1 | Very low | 45.2 | Very low | 131 Ų | 131 | 107.1 Ų | 107.1 | 92% | 0.916 | 83% | 0.832 | S | S | * | * | | | trans | 73.6 | 129.1 | 142 | -148.7 | 0 | 0 | 0 | 0 | 121.3 | | |
| 343 | G | 38.3 | Very low | 45.6 | Very low | 80 Ų | 80 | 107.2 Ų | 107.2 | 83% | 0.825 | 83% | 0.826 | S | S | * | * | | | trans | 79.5 | 94.8 | 135.5 | 0 | 0 | 0 | 0 | 0 | 118.6 | | |
| 344 | G | 44.9 | Very low | 46 | Very low | 80 Ų | 80 | 111.3 Ų | 111.3 | 83% | 0.825 | 83% | 0.827 | S | S | * | * | | | trans | 174.4 | 70.6 | 170.9 | 0 | 0 | 0 | 0 | 0 | 113.4 | G346 | G344-G346 PolarHBondContact O-N 3.41Å; G344-G346 VanDerWaalsContact O-N 3.08Å |
| 345 | E | 41.9 | Very low | 46.7 | Very low | 167 Ų | 167 | 114.9 Ų | 114.9 | 78% | 0.78 | 83% | 0.825 | S | S | * | * | | | trans | -75.6 | 98.8 | -175.5 | -147 | 165.3 | 157.2 | 0 | 0 | 111.4 | H347 | E345-H347 PolarHBondContact O-N 3.5Š|
| 346 | G | 46.3 | Very low | 47.1 | Very low | 68 Ų | 68 | 115.1 Ų | 115.1 | 70% | 0.701 | 82% | 0.818 | S | S | * | * | | | trans | -83.8 | 93.6 | -174.3 | 0 | 0 | 0 | 0 | 0 | 113.5 | G344 M348 | G344-G346 PolarHBondContact O-N 3.41Å; G344-G346 VanDerWaalsContact O-N 3.08Å; G346-M348 PolarHBondContact O-N 3.03Å |
| 347 | H | 49.4 | Very low | 47.2 | Very low | 160 Ų | 160 | 122 Ų | 122 | 74% | 0.741 | 82% | 0.818 | S | S | * | * | | | trans | -76.3 | 40.8 | -177.5 | -51.3 | -59.3 | 0 | 0 | 0 | 115.4 | E345 G349 | E345-H347 PolarHBondContact O-N 3.5Å; H347-G349 VanDerWaalsContact C-N 3.35Å; H347-G349 PolarHBondContact O-N 3.26Å |
| 348 | M | 56.7 | Low | 47.2 | Very low | 190 Ų | 190 | 128.7 Ų | 128.7 | 94% | 0.936 | 82% | 0.819 | S | S | * | * | | | trans | -90.7 | 22.9 | -176.9 | -70.2 | -68.3 | -73 | 0 | 0 | 114.4 | G346 | G346-M348 PolarHBondContact O-N 3.03Š|
| 349 | G | 55.3 | Low | 47.1 | Very low | 56 Ų | 56 | 127.5 Ų | 127.5 | 58% | 0.577 | 81% | 0.806 | S | S | * | * | | | trans | -107.2 | -16.7 | -162.4 | 0 | 0 | 0 | 0 | 0 | 119.2 | H347 | H347-G349 VanDerWaalsContact C-N 3.35Å; H347-G349 PolarHBondContact O-N 3.26Å |
| 350 | I | 57 | Low | 47.1 | Very low | 162 Ų | 162 | 133.1 Ų | 133.1 | 83% | 0.831 | 81% | 0.813 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -105.3 | 13.3 | -157.3 | -64.8 | 175.4 | 0 | 0 | 0 | 114.7 | | |
| 351 | L | 50 | Low | 47.3 | Very low | 178 Ų | 178 | 135.9 Ų | 135.9 | 93% | 0.932 | 81% | 0.811 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -115.5 | 3.9 | 176.3 | -69.4 | 174.1 | 0 | 0 | 0 | 115.4 | | |
| 352 | A | 49.6 | Very low | 47.3 | Very low | 96 Ų | 96 | 139 Ų | 139 | 79% | 0.793 | 82% | 0.815 | S | S | * | * | S | Bend | trans | -93.7 | -7.9 | -179.3 | 0 | 0 | 0 | 0 | 0 | 115.1 | | |
| 353 | A | 50.1 | Low | 47.4 | Very low | 83 Ų | 83 | 138.2 Ų | 138.2 | 69% | 0.686 | 81% | 0.805 | S | S | * | * | S | Bend | trans | -99.6 | -4.3 | -160.3 | 0 | 0 | 0 | 0 | 0 | 117 | | |
| 354 | L | 51.6 | Low | 47.5 | Very low | 167 Ų | 167 | 141.2 Ų | 141.2 | 87% | 0.874 | 80% | 0.802 | S | S | * | * | S | Bend | trans | -102 | 2.1 | -168.3 | -80.3 | 163.7 | 0 | 0 | 0 | 116.2 | | |
| 355 | N | 55.1 | Low | 47.3 | Very low | 167 Ų | 167 | 143 Ų | 143 | 89% | 0.893 | 80% | 0.799 | S | S | * | * | S | Bend | trans | -96 | 7.3 | -178 | -101.2 | -32.3 | 0 | 0 | 0 | 115.2 | | |
| 356 | A | 52.1 | Low | 47.1 | Very low | 86 Ų | 86 | 139.9 Ų | 139.9 | 71% | 0.711 | 80% | 0.802 | S | S | * | * | | | trans | -91.3 | -8.9 | -173.6 | 0 | 0 | 0 | 0 | 0 | 115.5 | R358 | A356-R358 PolarHBondContact O-N 3.18Å; A356-R358 VanDerWaalsContact O-N 3.12Å |
| 357 | Y | 42.2 | Very low | 47 | Very low | 234 Ų | 234 | 140.8 Ų | 140.8 | 92% | 0.918 | 80% | 0.802 | S | S | * | * | | | trans | -89.5 | 64.1 | -177.7 | -94.1 | -89.9 | 0 | 0 | 0 | 113.2 | | |
| 358 | R | 45.1 | Very low | 46.8 | Very low | 219 Ų | 219 | 138 Ų | 138 | 83% | 0.826 | 80% | 0.801 | S | S | * | * | S | Bend | trans | -144.7 | 133.7 | 160.5 | -111.9 | -179 | -177.3 | -88.5 | -0.8 | 110.8 | A356 | A356-R358 PolarHBondContact O-N 3.18Å; A356-R358 VanDerWaalsContact O-N 3.12Å |
| 359 | T | 37.7 | Very low | 46.3 | Very low | 115 Ų | 115 | 138.5 Ų | 138.5 | 71% | 0.706 | 80% | 0.801 | S | S | * | * | | | trans | 62.9 | 89.6 | 171.3 | 73.1 | 0 | 0 | 0 | 0 | 117 | | |
| 360 | Q | 45.1 | Very low | 45.5 | Very low | 193 Ų | 193 | 139.5 Ų | 139.5 | 90% | 0.902 | 81% | 0.812 | S | S | * | * | | | trans | -135.2 | 112.3 | 145.1 | -64.8 | -69.6 | -70.6 | 0 | 0 | 106.4 | | |
| 361 | V | 44.4 | Very low | 44.5 | Very low | 146 Ų | 146 | 135.8 Ų | 135.8 | 89% | 0.885 | 81% | 0.813 | S | S | * | * | | | trans | -90.7 | 149.3 | 175.4 | -90.5 | 0 | 0 | 0 | 0 | 109.8 | | |
| 362 | V | 38.6 | Very low | 43.9 | Very low | 140 Ų | 140 | 131.1 Ų | 131.1 | 85% | 0.848 | 81% | 0.808 | S | S | * | * | | | trans | -91.1 | 116.9 | -166 | 171.6 | 0 | 0 | 0 | 0 | 112.3 | | |
| 363 | T | 44.5 | Very low | 43.3 | Very low | 116 Ų | 116 | 130.7 Ų | 130.7 | 71% | 0.712 | 81% | 0.813 | S | S | * | * | | | trans | -168.9 | 139.9 | 159.6 | 45.7 | 0 | 0 | 0 | 0 | 107.3 | | |
| 364 | D | 39.7 | Very low | 42.7 | Very low | 142 Ų | 142 | 130.8 Ų | 130.8 | 76% | 0.759 | 82% | 0.822 | S | S | * | * | | | cis | -156.1 | 163.3 | -13.2 | -94.8 | -41.3 | 0 | 0 | 0 | 109.2 | | |
| 365 | P | 40.9 | Very low | 42 | Very low | 117 Ų | 117 | 126.8 Ų | 126.8 | 76% | 0.76 | 82% | 0.821 | S | S | * | * | | | trans | -92.1 | 144.6 | -173 | 34.8 | -33.3 | 0 | 0 | 0 | 115.4 | | |
| 366 | A | 38.5 | Very low | 41.2 | Very low | 102 Ų | 102 | 123.1 Ų | 123.1 | 84% | 0.843 | 82% | 0.823 | S | S | * | * | | | trans | 80 | 161.1 | 156.6 | 0 | 0 | 0 | 0 | 0 | 120.2 | | |
| 367 | A | 44.1 | Very low | 40.7 | Very low | 87 Ų | 87 | 122.2 Ų | 122.2 | 72% | 0.719 | 82% | 0.822 | S | S | * | * | | | trans | 74.3 | 83 | 170.2 | 0 | 0 | 0 | 0 | 0 | 119.2 | | |
| 368 | S | 45.2 | Very low | 40.6 | Very low | 103 Ų | 103 | 117 Ų | 117 | 72% | 0.72 | 82% | 0.819 | S | S | * | * | | | | 50 | 131.7 | 120.6 | 65.5 | 0 | 0 | 0 | 0 | 122.5 | | |
| 369 | Q | 45.2 | Very low | 40.6 | Very low | 200 Ų | 200 | 110.6 Ų | 110.6 | 94% | 0.935 | 82% | 0.822 | S | S | * | * | | | trans | 76.9 | 131.7 | 142.1 | -114.9 | 176.6 | 83.1 | 0 | 0 | 119.3 | | |
| 370 | G | 38.6 | Very low | 41 | Very low | 77 Ų | 77 | 113.5 Ų | 113.5 | 79% | 0.794 | 83% | 0.827 | S | S | * | * | | | trans | 102.6 | 77.1 | 139 | 0 | 0 | 0 | 0 | 0 | 118.8 | | |
| 371 | G | 36.7 | Very low | 40.7 | Very low | 83 Ų | 83 | 112.6 Ų | 112.6 | 86% | 0.856 | 82% | 0.823 | S | S | * | * | | | | 51.2 | 118.9 | 125.3 | 0 | 0 | 0 | 0 | 0 | 122.2 | | |
| 372 | G | 36.1 | Very low | 40.8 | Very low | 81 Ų | 81 | 112.8 Ų | 112.8 | 84% | 0.835 | 82% | 0.815 | S | S | * | * | | | | 101.7 | 130.5 | 118.6 | 0 | 0 | 0 | 0 | 0 | 118.8 | | |
| 373 | G | 38.2 | Very low | 40.9 | Very low | 86 Ų | 86 | 114 Ų | 114 | 89% | 0.887 | 81% | 0.811 | S | S | * | * | | | trans | 77.3 | 131.4 | 167.8 | 0 | 0 | 0 | 0 | 0 | 114.1 | | |
| 374 | G | 36.2 | Very low | 41 | Very low | 85 Ų | 85 | 117.4 Ų | 117.4 | 88% | 0.876 | 82% | 0.818 | S | S | * | * | | | cis | 116.4 | 117.9 | 13.6 | 0 | 0 | 0 | 0 | 0 | 109.7 | | |
| 375 | G | 38.8 | Very low | 41 | Very low | 84 Ų | 84 | 114.4 Ų | 114.4 | 87% | 0.866 | 82% | 0.821 | S | S | * | * | | | trans | 145.7 | 112 | -179.8 | 0 | 0 | 0 | 0 | 0 | 111.9 | | |
| 376 | G | 36.8 | Very low | 41.1 | Very low | 89 Ų | 89 | 113 Ų | 113 | 92% | 0.918 | 83% | 0.827 | S | S | * | * | | | trans | -102.1 | 179.8 | 177.7 | 0 | 0 | 0 | 0 | 0 | 113.3 | | |
| 377 | G | 41.4 | Very low | 41.2 | Very low | 67 Ų | 67 | 111.2 Ų | 111.2 | 69% | 0.691 | 82% | 0.82 | S | S | * | * | | | trans | 161.8 | 84.1 | 176.5 | 0 | 0 | 0 | 0 | 0 | 109.7 | | |
| 378 | S | 41 | Very low | 41.4 | Very low | 124 Ų | 124 | 119.4 Ų | 119.4 | 87% | 0.867 | 83% | 0.832 | S | S | * | * | | | | 73.5 | 97.8 | 90.4 | 69.6 | 0 | 0 | 0 | 0 | 113.8 | | |
| 379 | G | 46.1 | Very low | 41.7 | Very low | 86 Ų | 86 | 117.4 Ų | 117.4 | 89% | 0.887 | 83% | 0.828 | S | S | * | * | | | trans | -134.9 | 85.7 | 167.3 | 0 | 0 | 0 | 0 | 0 | 109.1 | | |
| 380 | Q | 45.5 | Very low | 41.8 | Very low | 175 Ų | 175 | 114.9 Ų | 114.9 | 82% | 0.818 | 82% | 0.821 | S | S | * | * | | | trans | -92.4 | 148.3 | -164.7 | -164 | 175 | 18.6 | 0 | 0 | 113.2 | | |
| 381 | Q | 39 | Very low | 42.4 | Very low | 175 Ų | 175 | 122.3 Ų | 122.3 | 82% | 0.818 | 82% | 0.824 | S | S | * | * | | | trans | -69.2 | 124.6 | 176.5 | -178.1 | -179.9 | 27.5 | 0 | 0 | 113 | | |
| 382 | Q | 45.9 | Very low | 43 | Very low | 150 Ų | 150 | 126.5 Ų | 126.5 | 70% | 0.701 | 82% | 0.822 | S | S | * | * | | | trans | -157.6 | 111.3 | 163.2 | -98.6 | 151.6 | 55.5 | 0 | 0 | 105.9 | | |
| 383 | Q | 41.6 | Very low | 44 | Very low | 165 Ų | 165 | 131.1 Ų | 131.1 | 77% | 0.771 | 82% | 0.821 | S | S | * | * | | | | 48.5 | 118.5 | 81.5 | -64 | -164.8 | 61 | 0 | 0 | 113.6 | | |
| 384 | H | 44.7 | Very low | 44.6 | Very low | 187 Ų | 187 | 130.9 Ų | 130.9 | 87% | 0.866 | 81% | 0.806 | S | S | * | * | | | trans | 164.1 | 129.5 | 134.8 | -85.3 | -58.7 | 0 | 0 | 0 | 112.9 | | |
| 385 | G | 40.7 | Very low | 45.2 | Very low | 79 Ų | 79 | 135.3 Ų | 135.3 | 81% | 0.814 | 81% | 0.806 | S | S | * | * | | | | 99.2 | 94.8 | 127.8 | 0 | 0 | 0 | 0 | 0 | 121.5 | | |
| 386 | G | 42.3 | Very low | 46.1 | Very low | 87 Ų | 87 | 137.4 Ų | 137.4 | 90% | 0.897 | 81% | 0.808 | S | S | * | * | | | trans | 69.1 | 149.8 | 140 | 0 | 0 | 0 | 0 | 0 | 119.4 | | |
| 387 | G | 41.7 | Very low | 46.8 | Very low | 66 Ų | 66 | 139.6 Ų | 139.6 | 68% | 0.68 | 80% | 0.804 | S | S | * | * | | | cis | 136.3 | 147.1 | 1.1 | 0 | 0 | 0 | 0 | 0 | 111.7 | | |
| 388 | R | 48.6 | Very low | 47.8 | Very low | 259 Ų | 259 | 142.2 Ų | 142.2 | 98% | 0.977 | 81% | 0.811 | S | S | * | * | | | trans | 76.7 | 139.9 | -178.7 | -46.3 | 165 | -171.4 | -96.6 | 0.3 | 114.2 | | |
| 389 | G | 51.2 | Low | 48.5 | Very low | 61 Ų | 61 | 143.7 Ų | 143.7 | 63% | 0.629 | 81% | 0.809 | S | S | * | * | | | cis | -173.6 | 140.9 | -5.5 | 0 | 0 | 0 | 0 | 0 | 113 | | |
| 390 | D | 47.1 | Very low | 48.9 | Very low | 147 Ų | 147 | 148.9 Ų | 148.9 | 79% | 0.786 | 83% | 0.832 | S | S | * | * | | | trans | 20 | 122.7 | 147.3 | -50.7 | -85 | 0 | 0 | 0 | 120.4 | | |
| 391 | R | 51.9 | Low | 49 | Very low | 232 Ų | 232 | 147.6 Ų | 147.6 | 88% | 0.875 | 83% | 0.833 | S | S | * | * | | | trans | -145.8 | 104.3 | 132.2 | -107.1 | 167.3 | -152.6 | -168.2 | 3.9 | 110.8 | | |
| 392 | H | 49 | Very low | 49.6 | Very low | 172 Ų | 172 | 146.1 Ų | 146.1 | 80% | 0.796 | 83% | 0.833 | S | S | * | * | | | trans | -73.7 | 126.7 | 166.8 | -107 | -128.3 | 0 | 0 | 0 | 109.2 | | |
| 393 | E | 56.8 | Low | 49.8 | Very low | 177 Ų | 177 | 145.9 Ų | 145.9 | 83% | 0.827 | 84% | 0.841 | S | S | * | * | | | trans | -131.4 | 89.4 | 162.1 | -18.2 | -154 | 141.5 | 0 | 0 | 108.2 | | |
| 394 | S | 50.1 | Low | 50.3 | Low | 81 Ų | 81 | 144.8 Ų | 144.8 | 57% | 0.566 | 85% | 0.845 | S | S | * | * | | | trans | -121 | 131.5 | 179 | -70.8 | 0 | 0 | 0 | 0 | 109.8 | | |
| 395 | M | 49.9 | Very low | 50.6 | Low | 178 Ų | 178 | 142.1 Ų | 142.1 | 88% | 0.877 | 84% | 0.843 | S | S | * | * | | | trans | 66.9 | 109 | 153 | -56.4 | 157.3 | -177.1 | 0 | 0 | 117.8 | | |
| 396 | S | 56 | Low | 51.3 | Low | 129 Ų | 129 | 146.3 Ų | 146.3 | 90% | 0.902 | 85% | 0.845 | S | S | * | * | | | | -165.6 | 126.5 | 113.7 | -82.5 | 0 | 0 | 0 | 0 | 112.6 | | |
| 397 | T | 51.5 | Low | 51.9 | Low | 135 Ų | 135 | 150.6 Ų | 150.6 | 83% | 0.828 | 84% | 0.842 | S | S | * | * | | | trans | -115.7 | 126.3 | 168.6 | 48 | 0 | 0 | 0 | 0 | 108.6 | | |
| 398 | S | 64.3 | Low | 52.7 | Low | 121 Ų | 121 | 157.1 Ų | 157.1 | 85% | 0.846 | 85% | 0.854 | S | S | * | * | | | trans | 176.4 | 115.7 | 156.6 | -74.3 | 0 | 0 | 0 | 0 | 105.8 | | |
| 399 | D | 54.5 | Low | 53 | Low | 155 Ų | 155 | 148.6 Ų | 148.6 | 83% | 0.829 | 84% | 0.844 | S | S | * | * | | | | 78.9 | 84.7 | 65 | -159.7 | -102.9 | 0 | 0 | 0 | 113.1 | | |
| 400 | S | 54.1 | Low | 53.2 | Low | 195 Ų | 195 | 156.5 Ų | 156.5 | 100% | 1.364 | 86% | 0.863 | S | S | * | * | | | trans | -178.6 | 0 | 148.9 | -76.8 | 0 | 0 | 0 | 0 | 109.8 | | |