| 1 | M | 43.3 | Very low | 43.2 | Very low | 235 Ų | 235 | 159.4 Ų | 159.4 | 100% | 1.158 | 82% | 0.817 | S | S | * | * | | | | 0 | 135.8 | 0 | -64.9 | 165.4 | 80.4 | 0 | 0 | 107.5 | | |
| 2 | S | 39.3 | Very low | 42.2 | Very low | 94 Ų | 94 | 156.3 Ų | 156.3 | 66% | 0.657 | 82% | 0.82 | S | S | * | * | | | cis | 172.1 | 128.8 | -26.4 | 35.2 | 0 | 0 | 0 | 0 | 109.5 | | |
| 3 | Y | 42 | Very low | 42.3 | Very low | 213 Ų | 213 | 150.3 Ų | 150.3 | 84% | 0.835 | 81% | 0.807 | S | S | * | * | | | trans | 65.2 | 167.9 | 165.3 | -84.9 | -97.9 | 0 | 0 | 0 | 117.4 | | |
| 4 | P | 62.9 | Low | 42.8 | Very low | 100 Ų | 100 | 148.2 Ų | 148.2 | 65% | 0.649 | 81% | 0.806 | S | S | * | * | | | cis | -130.3 | 162.2 | -1.9 | 38.9 | -22.6 | 0 | 0 | 0 | 117.9 | | |
| 5 | Q | 44.3 | Very low | 43.2 | Very low | 159 Ų | 159 | 149.5 Ų | 149.5 | 74% | 0.743 | 80% | 0.804 | S | S | * | * | | | trans | 50 | 128.5 | 137.2 | -67 | 166.3 | -41.6 | 0 | 0 | 121.9 | | |
| 6 | F | 43.6 | Very low | 42.7 | Very low | 215 Ų | 215 | 153.1 Ų | 153.1 | 94% | 0.943 | 81% | 0.811 | S | S | * | * | | | | 79 | 125.3 | 58.6 | -90.2 | -80.6 | 0 | 0 | 0 | 115.1 | | |
| 7 | G | 35.1 | Very low | 43 | Very low | 78 Ų | 78 | 153 Ų | 153 | 80% | 0.804 | 81% | 0.81 | S | S | * | * | | | trans | 177.5 | 65.8 | 177.8 | 0 | 0 | 0 | 0 | 0 | 117.2 | | |
| 8 | Y | 36.3 | Very low | 42.5 | Very low | 227 Ų | 227 | 155.1 Ų | 155.1 | 89% | 0.89 | 82% | 0.817 | S | S | * | * | | | trans | -101.9 | 154 | 157.7 | -92.8 | -71.2 | 0 | 0 | 0 | 107.6 | | |
| 9 | P | 52 | Low | 42.1 | Very low | 115 Ų | 115 | 151.7 Ų | 151.7 | 75% | 0.747 | 81% | 0.814 | S | S | * | * | | | | -156.7 | 175 | 57.4 | 44.4 | -23.4 | 0 | 0 | 0 | 119.8 | | |
| 10 | Y | 39.2 | Very low | 41.8 | Very low | 213 Ų | 213 | 151.2 Ų | 151.2 | 84% | 0.835 | 82% | 0.816 | S | S | * | * | | | trans | 58.1 | 103.7 | 144 | -97.5 | -116.6 | 0 | 0 | 0 | 123.8 | | |
| 11 | S | 37.2 | Very low | 41.5 | Very low | 104 Ų | 104 | 150.8 Ų | 150.8 | 73% | 0.727 | 81% | 0.814 | S | S | * | * | | | | 60.8 | 123.6 | 104.8 | -161 | 0 | 0 | 0 | 0 | 122.5 | | |
| 12 | S | 31.6 | Very low | 41 | Very low | 122 Ų | 122 | 144.7 Ų | 144.7 | 85% | 0.853 | 79% | 0.794 | S | S | * | * | | | trans | -158.7 | 140.4 | 134.7 | -169.7 | 0 | 0 | 0 | 0 | 112.1 | | |
| 13 | A | 43.1 | Very low | 40.8 | Very low | 79 Ų | 79 | 148.1 Ų | 148.1 | 65% | 0.653 | 80% | 0.804 | S | S | * | * | | | trans | -142.6 | 162.2 | 171.3 | 0 | 0 | 0 | 0 | 0 | 107.7 | | |
| 14 | P | 49.8 | Very low | 40.3 | Very low | 121 Ų | 121 | 142.9 Ų | 142.9 | 79% | 0.786 | 80% | 0.799 | S | S | * | * | | | | -133.3 | 153.2 | 65.2 | 11.7 | 14.3 | 0 | 0 | 0 | 113.7 | | |
| 15 | Q | 48.1 | Very low | 39.1 | Very low | 167 Ų | 167 | 144 Ų | 144 | 78% | 0.78 | 80% | 0.803 | S | S | * | * | | | | 60 | 126.7 | 76.6 | -59 | -160 | 10.5 | 0 | 0 | 117.8 | | |
| 16 | F | 34.7 | Very low | 38.5 | Very low | 208 Ų | 208 | 142 Ų | 142 | 91% | 0.912 | 81% | 0.806 | S | S | * | * | | | | -154.3 | 145 | 121.1 | -116.9 | -77.3 | 0 | 0 | 0 | 110.8 | | |
| 17 | L | 49 | Very low | 38.1 | Very low | 151 Ų | 151 | 137.9 Ų | 137.9 | 79% | 0.791 | 80% | 0.803 | S | S | * | * | | | trans | -126 | 160.8 | 175.3 | -73.7 | 170 | 0 | 0 | 0 | 109.2 | | |
| 18 | M | 34.1 | Very low | 37.9 | Very low | 191 Ų | 191 | 141.9 Ų | 141.9 | 94% | 0.941 | 80% | 0.8 | S | S | * | * | | | trans | -162.8 | 149.3 | 145.2 | -98.9 | -80 | 162.8 | 0 | 0 | 108.9 | | |
| 19 | A | 33.4 | Very low | 37.9 | Very low | 91 Ų | 91 | 136 Ų | 136 | 75% | 0.752 | 79% | 0.792 | S | S | * | * | | | trans | -134.7 | 172.2 | -175.5 | 0 | 0 | 0 | 0 | 0 | 111.8 | | |
| 20 | T | 37.9 | Very low | 37 | Very low | 141 Ų | 141 | 136.6 Ų | 136.6 | 87% | 0.865 | 80% | 0.799 | S | S | * | * | | | trans | -62.2 | 148.8 | -179.5 | 49.6 | 0 | 0 | 0 | 0 | 113.1 | | |
| 21 | N | 33.7 | Very low | 36.7 | Very low | 143 Ų | 143 | 129.5 Ų | 129.5 | 77% | 0.765 | 79% | 0.791 | S | S | * | * | | | trans | -123.9 | 148.3 | 174.4 | -143.7 | -31.7 | 0 | 0 | 0 | 111.3 | | |
| 22 | S | 32.9 | Very low | 36.7 | Very low | 107 Ų | 107 | 136.2 Ų | 136.2 | 75% | 0.748 | 80% | 0.8 | S | S | * | * | | | trans | -144.8 | 133.1 | -178.1 | -66.3 | 0 | 0 | 0 | 0 | 108.2 | | |
| 23 | L | 35.8 | Very low | 37 | Very low | 166 Ų | 166 | 136.8 Ų | 136.8 | 87% | 0.869 | 80% | 0.799 | S | S | * | * | | | trans | -127.9 | 138.4 | -171.1 | -75.6 | 170.8 | 0 | 0 | 0 | 112.6 | | |
| 24 | S | 32.6 | Very low | 36.6 | Very low | 103 Ų | 103 | 141.7 Ų | 141.7 | 72% | 0.72 | 81% | 0.813 | S | S | * | * | | | trans | -155.5 | 174.3 | 175.9 | 53.3 | 0 | 0 | 0 | 0 | 110.3 | | |
| 25 | T | 35.9 | Very low | 36 | Very low | 122 Ų | 122 | 140.3 Ų | 140.3 | 75% | 0.748 | 81% | 0.812 | S | S | * | * | | | trans | 75.7 | 99.5 | 166.2 | 65.8 | 0 | 0 | 0 | 0 | 120.4 | | |
| 26 | C | 32.6 | Very low | 35.3 | Very low | 118 Ų | 118 | 139.5 Ų | 139.5 | 80% | 0.797 | 81% | 0.813 | S | S | * | * | | | | 58.2 | 128.8 | 126.5 | 71.9 | 0 | 0 | 0 | 0 | 125 | | |
| 27 | C | 35.6 | Very low | 35.3 | Very low | 129 Ų | 129 | 134.4 Ų | 134.4 | 87% | 0.872 | 80% | 0.803 | S | S | * | * | | | trans | -164.9 | 139.3 | 130.3 | -91.2 | 0 | 0 | 0 | 0 | 105.4 | | |
| 28 | E | 30.2 | Very low | 34.7 | Very low | 162 Ų | 162 | 130.7 Ų | 130.7 | 76% | 0.757 | 80% | 0.801 | S | S | * | * | | | cis | 122.3 | 103.6 | 9.8 | -169.7 | 58.1 | -100.4 | 0 | 0 | 111 | | |
| 29 | S | 36.8 | Very low | 35.4 | Very low | 102 Ų | 102 | 127.7 Ų | 127.7 | 71% | 0.713 | 80% | 0.796 | S | S | * | * | | | trans | 25.9 | 127.6 | 163.3 | -61.7 | 0 | 0 | 0 | 0 | 124.3 | | |
| 30 | S | 32.5 | Very low | 35.5 | Very low | 129 Ų | 129 | 128.1 Ų | 128.1 | 90% | 0.902 | 80% | 0.799 | S | S | * | * | | | | 146.9 | 145.3 | 105.7 | -168.2 | 0 | 0 | 0 | 0 | 113.9 | | |
| 31 | G | 32.3 | Very low | 35.4 | Very low | 64 Ų | 64 | 125.8 Ų | 125.8 | 66% | 0.66 | 80% | 0.795 | S | S | * | * | | | trans | 160.1 | 37.8 | 164.9 | 0 | 0 | 0 | 0 | 0 | 126.1 | | |
| 32 | R | 39 | Very low | 35.6 | Very low | 245 Ų | 245 | 124.5 Ų | 124.5 | 93% | 0.925 | 80% | 0.797 | S | S | * | * | | | trans | 68.4 | 172.8 | 150.8 | -56.9 | 178.7 | -178 | -81.4 | -5.3 | 120.2 | | |
| 33 | T | 37.4 | Very low | 35.7 | Very low | 134 Ų | 134 | 124.1 Ų | 124.1 | 82% | 0.822 | 80% | 0.8 | S | S | * | * | | | trans | -137.2 | 142 | -169.8 | 52.9 | 0 | 0 | 0 | 0 | 112.1 | | |
| 34 | L | 33.9 | Very low | 35.8 | Very low | 181 Ų | 181 | 125.7 Ų | 125.7 | 95% | 0.948 | 80% | 0.803 | S | S | * | * | | | trans | -167.3 | -179.8 | 137.2 | -147.6 | 59.7 | 0 | 0 | 0 | 110 | | |
| 35 | A | 37.3 | Very low | 35.8 | Very low | 93 Ų | 93 | 125.3 Ų | 125.3 | 77% | 0.769 | 81% | 0.806 | S | S | * | * | | | trans | -138.6 | 172.5 | -173.5 | 0 | 0 | 0 | 0 | 0 | 113.4 | | |
| 36 | D | 33.2 | Very low | 36.3 | Very low | 150 Ų | 150 | 125.3 Ų | 125.3 | 80% | 0.802 | 81% | 0.808 | S | S | * | * | | | trans | 96 | 152.4 | 159.4 | -158.9 | 50.2 | 0 | 0 | 0 | 120.6 | | |
| 37 | S | 35.8 | Very low | 36.4 | Very low | 101 Ų | 101 | 126.7 Ų | 126.7 | 71% | 0.706 | 81% | 0.813 | S | S | * | * | | | trans | 59.9 | 127.1 | 166.4 | 10.7 | 0 | 0 | 0 | 0 | 120.7 | | |
| 38 | G | 35.3 | Very low | 36.2 | Very low | 72 Ų | 72 | 129.6 Ų | 129.6 | 74% | 0.742 | 81% | 0.807 | S | S | * | * | | | trans | -99.7 | -154.9 | 164.5 | 0 | 0 | 0 | 0 | 0 | 112.3 | | |
| 39 | P | 49.5 | Very low | 36.4 | Very low | 129 Ų | 129 | 126.8 Ų | 126.8 | 84% | 0.838 | 80% | 0.804 | S | S | * | * | | | cis | -136.2 | -173.6 | 13.7 | 43.2 | -26.3 | 0 | 0 | 0 | 116.4 | | |
| 40 | A | 35.6 | Very low | 36.6 | Very low | 99 Ų | 99 | 127.4 Ų | 127.4 | 82% | 0.818 | 81% | 0.806 | S | S | * | * | | | trans | 89.8 | 154.4 | 156.3 | 0 | 0 | 0 | 0 | 0 | 120.9 | | |
| 41 | A | 36.3 | Very low | 36.6 | Very low | 93 Ų | 93 | 127.4 Ų | 127.4 | 77% | 0.769 | 80% | 0.8 | S | S | * | * | | | trans | 83.4 | 104.4 | 170.6 | 0 | 0 | 0 | 0 | 0 | 120.7 | | |
| 42 | S | 36.8 | Very low | 36.7 | Very low | 116 Ų | 116 | 133.7 Ų | 133.7 | 81% | 0.811 | 81% | 0.805 | S | S | * | * | | | trans | 50.4 | 85 | 142.4 | 57.8 | 0 | 0 | 0 | 0 | 120.9 | | |
| 43 | A | 34.6 | Very low | 36.5 | Very low | 99 Ų | 99 | 130.2 Ų | 130.2 | 82% | 0.818 | 80% | 0.799 | S | S | * | * | | | trans | -18 | 127.8 | 149.8 | 0 | 0 | 0 | 0 | 0 | 119.5 | | |
| 44 | Q | 38.6 | Very low | 36.7 | Very low | 198 Ų | 198 | 128.4 Ų | 128.4 | 93% | 0.925 | 79% | 0.792 | S | S | * | * | | | | -133.4 | 146.3 | 126.2 | -71.9 | -162.3 | -3.7 | 0 | 0 | 108.7 | | |
| 45 | A | 33 | Very low | 36.8 | Very low | 95 Ų | 95 | 130 Ų | 130 | 79% | 0.785 | 79% | 0.785 | S | S | * | * | | | trans | -129.7 | 125.4 | -175.9 | 0 | 0 | 0 | 0 | 0 | 111.2 | | |
| 46 | P | 46.1 | Very low | 36.9 | Very low | 123 Ų | 123 | 133 Ų | 133 | 80% | 0.799 | 79% | 0.787 | S | S | * | * | P | Polyproline II helix | trans | -77 | 158.2 | 174.6 | 32.3 | -34.5 | 0 | 0 | 0 | 112 | Y48 | P46-Y48 PolarHBondContact O-N 3.35Š|
| 47 | V | 35.5 | Very low | 37.2 | Very low | 146 Ų | 146 | 133.5 Ų | 133.5 | 89% | 0.885 | 79% | 0.789 | S | S | * | * | P | Polyproline II helix | trans | -71 | 123.9 | -176.9 | -179.9 | 0 | 0 | 0 | 0 | 111.3 | | |
| 48 | Y | 31.3 | Very low | 36.9 | Very low | 190 Ų | 190 | 133.2 Ų | 133.2 | 75% | 0.745 | 79% | 0.793 | S | S | * | * | P | Polyproline II helix | trans | -102.2 | 133.8 | 175.5 | 177.9 | -98.3 | 0 | 0 | 0 | 111.2 | P46 | P46-Y48 PolarHBondContact O-N 3.35Š|
| 49 | C | 32.9 | Very low | 36.8 | Very low | 103 Ų | 103 | 136.6 Ų | 136.6 | 70% | 0.696 | 80% | 0.8 | S | S | * | * | P | Polyproline II helix | trans | -84 | 122.3 | 176.8 | -66.3 | 0 | 0 | 0 | 0 | 110.6 | V51 | C49-V51 PolarHBondContact O-N 2.99Š|
| 50 | P | 40.8 | Very low | 35.8 | Very low | 116 Ų | 116 | 135.3 Ų | 135.3 | 75% | 0.753 | 80% | 0.8 | S | S | * | * | P | Polyproline II helix | trans | -72.7 | 121.1 | 179 | 28.7 | -33.5 | 0 | 0 | 0 | 111.6 | | |
| 51 | V | 34 | Very low | 35.9 | Very low | 128 Ų | 128 | 141.8 Ų | 141.8 | 78% | 0.776 | 80% | 0.803 | S | S | * | * | P | Polyproline II helix | trans | -66.9 | 128.2 | 160.2 | 175.6 | 0 | 0 | 0 | 0 | 108.1 | C49 | C49-V51 PolarHBondContact O-N 2.99Š|
| 52 | Y | 34.8 | Very low | 35.8 | Very low | 196 Ų | 196 | 145.5 Ų | 145.5 | 77% | 0.769 | 80% | 0.804 | S | S | * | * | | | trans | -104 | 102.4 | 179.9 | -166.2 | -96 | 0 | 0 | 0 | 111.7 | | |
| 53 | E | 34.5 | Very low | 35.9 | Very low | 173 Ų | 173 | 147.6 Ų | 147.6 | 81% | 0.808 | 80% | 0.801 | S | S | * | * | | | trans | -85 | 158.2 | 164.4 | -149.7 | -164.5 | 163.7 | 0 | 0 | 110.5 | | |
| 54 | S | 41.2 | Very low | 36.1 | Very low | 95 Ų | 95 | 150.4 Ų | 150.4 | 66% | 0.664 | 80% | 0.801 | S | S | * | * | | | trans | -93.4 | 133.2 | -168.6 | -64.1 | 0 | 0 | 0 | 0 | 114.1 | | |
| 55 | R | 36.6 | Very low | 35.8 | Very low | 215 Ų | 215 | 148.2 Ų | 148.2 | 81% | 0.811 | 80% | 0.796 | S | S | * | * | | | trans | -166.4 | 118.5 | 147.8 | -108.9 | 160.4 | -149.3 | -99.9 | 4 | 116 | | |
| 56 | L | 37.9 | Very low | 35.9 | Very low | 155 Ų | 155 | 148.2 Ų | 148.2 | 81% | 0.812 | 79% | 0.79 | S | S | * | * | | | trans | 69.8 | 167.4 | 142.3 | -67 | 168.6 | 0 | 0 | 0 | 121 | | |
| 57 | L | 39.8 | Very low | 35.3 | Very low | 162 Ų | 162 | 146.8 Ų | 146.8 | 85% | 0.848 | 79% | 0.789 | S | S | * | * | | | trans | -96.6 | 147.5 | -161.4 | -70.5 | 60 | 0 | 0 | 0 | 112.7 | | |
| 58 | A | 30.9 | Very low | 35.4 | Very low | 95 Ų | 95 | 145 Ų | 145 | 79% | 0.785 | 79% | 0.789 | S | S | * | * | | | trans | -157.6 | 143.2 | 133.4 | 0 | 0 | 0 | 0 | 0 | 112.9 | | |
| 59 | T | 32 | Very low | 35.6 | Very low | 143 Ų | 143 | 140.8 Ų | 140.8 | 88% | 0.877 | 79% | 0.794 | S | S | * | * | | | trans | -21.9 | 135.2 | 166.9 | 51.4 | 0 | 0 | 0 | 0 | 119 | | |
| 60 | A | 29.5 | Very low | 36 | Very low | 101 Ų | 101 | 144.5 Ų | 144.5 | 84% | 0.835 | 81% | 0.806 | S | S | * | * | | | trans | -123.7 | 131.3 | 161.3 | 0 | 0 | 0 | 0 | 0 | 111.3 | | |
| 61 | R | 36.4 | Very low | 35.7 | Very low | 236 Ų | 236 | 142.3 Ų | 142.3 | 89% | 0.891 | 80% | 0.804 | S | S | * | * | | | trans | -154.5 | 157.1 | 168.1 | -106.3 | -172 | 178.1 | 168 | 0.4 | 109.8 | | |
| 62 | H | 35 | Very low | 36.1 | Very low | 170 Ų | 170 | 142.1 Ų | 142.1 | 79% | 0.787 | 80% | 0.803 | S | S | * | * | | | trans | 67.9 | 124.6 | -167.6 | -64.6 | -82.2 | 0 | 0 | 0 | 113.7 | | |
| 63 | E | 37.9 | Very low | 36.3 | Very low | 161 Ų | 161 | 144.1 Ų | 144.1 | 75% | 0.752 | 81% | 0.811 | S | S | * | * | | | | 66.6 | 110.6 | 51.9 | -78.3 | -78.8 | 128.3 | 0 | 0 | 113.1 | | |
| 64 | L | 38.7 | Very low | 36.2 | Very low | 157 Ų | 157 | 140 Ų | 140 | 82% | 0.822 | 81% | 0.814 | S | S | * | * | | | | -168.3 | 106.2 | 126.8 | -102.9 | 169.9 | 0 | 0 | 0 | 108.6 | | |
| 65 | N | 33.3 | Very low | 35.8 | Very low | 152 Ų | 152 | 139 Ų | 139 | 81% | 0.813 | 82% | 0.819 | S | S | * | * | | | trans | -92.9 | 122.7 | 164.7 | -177.6 | 16.5 | 0 | 0 | 0 | 108.1 | | |
| 66 | S | 34.7 | Very low | 37 | Very low | 96 Ų | 96 | 134.3 Ų | 134.3 | 67% | 0.671 | 82% | 0.817 | S | S | * | * | | | trans | -152.1 | 99.8 | -173.2 | -67.3 | 0 | 0 | 0 | 0 | 112.1 | | |
| 67 | A | 34 | Very low | 36.9 | Very low | 92 Ų | 92 | 138.2 Ų | 138.2 | 76% | 0.76 | 82% | 0.822 | S | S | * | * | | | trans | -153.6 | 138 | 170.5 | 0 | 0 | 0 | 0 | 0 | 110.9 | | |
| 68 | A | 36.8 | Very low | 36.7 | Very low | 109 Ų | 109 | 134.3 Ų | 134.3 | 90% | 0.901 | 82% | 0.822 | S | S | * | * | | | trans | 61.8 | 137.6 | -179.6 | 0 | 0 | 0 | 0 | 0 | 116 | | |
| 69 | A | 36.7 | Very low | 36.9 | Very low | 101 Ų | 101 | 133.7 Ų | 133.7 | 84% | 0.835 | 82% | 0.824 | S | S | * | * | | | cis | -143.3 | 176.6 | 7.5 | 0 | 0 | 0 | 0 | 0 | 112 | | |
| 70 | L | 40.2 | Very low | 37.1 | Very low | 181 Ų | 181 | 132.2 Ų | 132.2 | 95% | 0.948 | 82% | 0.82 | S | S | * | * | | | trans | -110.1 | 146.9 | -178.3 | -71.6 | 167.7 | 0 | 0 | 0 | 112.6 | | |
| 71 | G | 35.3 | Very low | 37.6 | Very low | 70 Ų | 70 | 136.2 Ų | 136.2 | 72% | 0.722 | 82% | 0.821 | S | S | * | * | | | trans | 146.6 | 93.7 | 176.5 | 0 | 0 | 0 | 0 | 0 | 110.2 | | |
| 72 | V | 42.1 | Very low | 37.5 | Very low | 124 Ų | 124 | 128.8 Ų | 128.8 | 75% | 0.752 | 82% | 0.818 | S | S | * | * | | | cis | 84.4 | 119.9 | 43.6 | -175.8 | 0 | 0 | 0 | 0 | 112.9 | | |
| 73 | Y | 38.3 | Very low | 37.5 | Very low | 239 Ų | 239 | 132.1 Ų | 132.1 | 94% | 0.937 | 83% | 0.825 | S | S | * | * | | | trans | 70 | 130.2 | -175.8 | -83.8 | -74.9 | 0 | 0 | 0 | 118.8 | | |
| 74 | G | 32.5 | Very low | 37.4 | Very low | 85 Ų | 85 | 127.4 Ų | 127.4 | 88% | 0.876 | 82% | 0.82 | S | S | * | * | | | trans | 136.1 | 120.8 | 158.6 | 0 | 0 | 0 | 0 | 0 | 117.4 | | |
| 75 | G | 34.4 | Very low | 37.2 | Very low | 74 Ų | 74 | 127 Ų | 127 | 76% | 0.763 | 82% | 0.819 | S | S | * | * | | | trans | 179.2 | -178.8 | 165 | 0 | 0 | 0 | 0 | 0 | 109.1 | | |
| 76 | P | 60 | Low | 37.5 | Very low | 118 Ų | 118 | 131.3 Ų | 131.3 | 77% | 0.766 | 83% | 0.825 | S | S | * | * | | | cis | -129.8 | -174.5 | -11.1 | 34.5 | -14.3 | 0 | 0 | 0 | 113.9 | | |
| 77 | Y | 36.3 | Very low | 37.7 | Very low | 236 Ų | 236 | 132.2 Ų | 132.2 | 93% | 0.925 | 83% | 0.826 | S | S | * | * | | | trans | 72.6 | 155.2 | 166.9 | -80.9 | -78.9 | 0 | 0 | 0 | 120.7 | | |
| 78 | G | 36.3 | Very low | 37.7 | Very low | 81 Ų | 81 | 133.9 Ų | 133.9 | 84% | 0.835 | 83% | 0.827 | S | S | * | * | | | trans | 94.2 | 138.9 | -177.7 | 0 | 0 | 0 | 0 | 0 | 112.8 | | |
| 79 | G | 33.8 | Very low | 37.8 | Very low | 82 Ų | 82 | 139.4 Ų | 139.4 | 85% | 0.845 | 83% | 0.826 | S | S | * | * | | | cis | -172.3 | 161.8 | -5.3 | 0 | 0 | 0 | 0 | 0 | 109.1 | | |
| 80 | S | 36.3 | Very low | 37.6 | Very low | 111 Ų | 111 | 137.7 Ų | 137.7 | 78% | 0.776 | 82% | 0.819 | S | S | * | * | | | trans | -97.6 | 163 | -174.1 | 59.9 | 0 | 0 | 0 | 0 | 114.3 | | |
| 81 | Q | 40.8 | Very low | 37.5 | Very low | 186 Ų | 186 | 134.5 Ų | 134.5 | 87% | 0.869 | 81% | 0.811 | S | S | * | * | | | trans | 76.4 | 131.2 | 175.6 | -52.7 | -65.3 | -2.1 | 0 | 0 | 117.3 | | |
| 82 | G | 34.5 | Very low | 37.5 | Very low | 79 Ų | 79 | 140.4 Ų | 140.4 | 81% | 0.814 | 82% | 0.82 | S | S | * | * | | | trans | -178.6 | 119.2 | 175.5 | 0 | 0 | 0 | 0 | 0 | 110.7 | | |
| 83 | Y | 34.8 | Very low | 37.2 | Very low | 240 Ų | 240 | 138.6 Ų | 138.6 | 94% | 0.941 | 82% | 0.819 | S | S | * | * | | | trans | -88 | 150.1 | -173.3 | -121.2 | -107.5 | 0 | 0 | 0 | 112.5 | | |
| 84 | G | 35.1 | Very low | 37.4 | Very low | 62 Ų | 62 | 133.1 Ų | 133.1 | 64% | 0.639 | 82% | 0.815 | S | S | * | * | | | trans | 89.3 | 129.2 | 153.5 | 0 | 0 | 0 | 0 | 0 | 117.1 | | |
| 85 | N | 34.2 | Very low | 37.6 | Very low | 150 Ų | 150 | 133 Ų | 133 | 80% | 0.802 | 81% | 0.806 | S | S | * | * | | | trans | -152.1 | 95.4 | 158.8 | -113.4 | -78.4 | 0 | 0 | 0 | 109.3 | | |
| 86 | Y | 40.6 | Very low | 37.7 | Very low | 241 Ų | 241 | 138.1 Ų | 138.1 | 95% | 0.945 | 81% | 0.807 | S | S | * | * | | | trans | -108.1 | 115.6 | 161 | -107.8 | -87.5 | 0 | 0 | 0 | 106 | | |
| 87 | V | 38.4 | Very low | 36.5 | Very low | 115 Ų | 115 | 142.4 Ų | 142.4 | 70% | 0.697 | 81% | 0.81 | S | S | * | * | | | trans | -124.5 | 100.5 | 174.9 | -178.7 | 0 | 0 | 0 | 0 | 109.7 | | |
| 88 | T | 34.6 | Very low | 36.5 | Very low | 128 Ų | 128 | 136 Ų | 136 | 79% | 0.785 | 80% | 0.799 | S | S | * | * | | | trans | -34.8 | 133.4 | 160 | -43.5 | 0 | 0 | 0 | 0 | 113.1 | | |
| 89 | Y | 38.8 | Very low | 36.6 | Very low | 225 Ų | 225 | 140.5 Ų | 140.5 | 88% | 0.882 | 80% | 0.803 | S | S | * | * | | | trans | -89.6 | 126.4 | 159.7 | -102.6 | -93.9 | 0 | 0 | 0 | 109.9 | | |
| 90 | G | 31.6 | Very low | 36.6 | Very low | 65 Ų | 65 | 144 Ų | 144 | 67% | 0.67 | 80% | 0.803 | S | S | * | * | | | trans | -88.3 | 172.8 | 171.5 | 0 | 0 | 0 | 0 | 0 | 112.6 | | |
| 91 | S | 38.2 | Very low | 36.3 | Very low | 114 Ų | 114 | 144.5 Ų | 144.5 | 80% | 0.797 | 81% | 0.806 | S | S | * | * | | | trans | -122.3 | 146 | -167.9 | -42.4 | 0 | 0 | 0 | 0 | 113.1 | | |
| 92 | E | 36.6 | Very low | 35.8 | Very low | 193 Ų | 193 | 144 Ų | 144 | 90% | 0.902 | 80% | 0.801 | S | S | * | * | | | trans | -146.2 | 165.3 | 144.8 | 52.5 | -103 | 139.2 | 0 | 0 | 114.7 | | |
| 93 | A | 35.4 | Very low | 35.9 | Very low | 87 Ų | 87 | 147 Ų | 147 | 72% | 0.719 | 80% | 0.799 | S | S | * | * | | | trans | -52.7 | 142.7 | -171.6 | 0 | 0 | 0 | 0 | 0 | 115.4 | | |
| 94 | S | 42.5 | Very low | 36.1 | Very low | 123 Ų | 123 | 139.9 Ų | 139.9 | 86% | 0.86 | 78% | 0.784 | S | S | * | * | | | cis | 79.3 | 110.9 | 48.8 | -60.9 | 0 | 0 | 0 | 0 | 115.5 | | |
| 95 | A | 37.4 | Very low | 36.3 | Very low | 83 Ų | 83 | 144.5 Ų | 144.5 | 69% | 0.686 | 79% | 0.787 | S | S | * | * | | | trans | -173.1 | 164.3 | 143.4 | 0 | 0 | 0 | 0 | 0 | 113.1 | | |
| 96 | F | 35.4 | Very low | 36.3 | Very low | 182 Ų | 182 | 144.1 Ų | 144.1 | 80% | 0.798 | 79% | 0.785 | S | S | * | * | | | trans | 77.8 | 88.1 | 165.9 | -58.3 | -73.3 | 0 | 0 | 0 | 120.4 | | |
| 97 | Y | 36 | Very low | 36 | Very low | 208 Ų | 208 | 136 Ų | 136 | 82% | 0.816 | 77% | 0.774 | S | S | * | * | | | | 5.7 | 153.7 | 126 | -46.4 | -70.9 | 0 | 0 | 0 | 119.7 | | |
| 98 | S | 35.2 | Very low | 35.7 | Very low | 101 Ų | 101 | 136.7 Ų | 136.7 | 71% | 0.706 | 78% | 0.784 | S | S | * | * | | | cis | -169 | 156.3 | -14.5 | -96.7 | 0 | 0 | 0 | 0 | 107.8 | | |
| 99 | L | 38.3 | Very low | 36 | Very low | 176 Ų | 176 | 134 Ų | 134 | 92% | 0.921 | 78% | 0.782 | S | S | * | * | P | Polyproline II helix | trans | -84.5 | 134.5 | 170.9 | -162.4 | 70.8 | 0 | 0 | 0 | 110.3 | S101 | L99-S101 PolarHBondContact O-N 3.33Š|
| 100 | N | 33.4 | Very low | 35.8 | Very low | 155 Ų | 155 | 129.5 Ų | 129.5 | 83% | 0.829 | 78% | 0.783 | S | S | * | * | P | Polyproline II helix | trans | -63.7 | 134.3 | -177.2 | -79.1 | -2 | 0 | 0 | 0 | 112.4 | | |
| 101 | S | 29.7 | Very low | 36.2 | Very low | 121 Ų | 121 | 130.4 Ų | 130.4 | 85% | 0.846 | 78% | 0.784 | S | S | * | * | P | Polyproline II helix | trans | -71.1 | 150 | 161.4 | -166.2 | 0 | 0 | 0 | 0 | 110.4 | L99 | L99-S101 PolarHBondContact O-N 3.33Š|
| 102 | F | 31.3 | Very low | 36.3 | Very low | 176 Ų | 176 | 134.3 Ų | 134.3 | 77% | 0.772 | 79% | 0.79 | S | S | * | * | | | trans | -107 | 122 | -179.9 | -169.9 | -91.3 | 0 | 0 | 0 | 109.1 | S104 | F102-S104 VanDerWaalsContact CE1-OG 3.25Å; F102-S104 WeakPolarHBondContact CE1-OG 3.41Å |
| 103 | D | 35.4 | Very low | 36.1 | Very low | 141 Ų | 141 | 129.5 Ų | 129.5 | 75% | 0.754 | 78% | 0.783 | S | S | * | * | | | trans | -89.4 | 122.6 | 175.1 | -169 | -87.2 | 0 | 0 | 0 | 110.7 | | |
| 104 | S | 38.9 | Very low | 36.1 | Very low | 92 Ų | 92 | 128.6 Ų | 128.6 | 64% | 0.643 | 78% | 0.782 | S | S | * | * | | | trans | -158.5 | 64.6 | 167.2 | -77.1 | 0 | 0 | 0 | 0 | 110 | F102 | F102-S104 VanDerWaalsContact CE1-OG 3.25Å; F102-S104 WeakPolarHBondContact CE1-OG 3.41Å |
| 105 | K | 40.7 | Very low | 36.2 | Very low | 159 Ų | 159 | 131.5 Ų | 131.5 | 69% | 0.691 | 79% | 0.787 | S | S | * | * | | | trans | 3.4 | 133.3 | 147.6 | -178.2 | 165.7 | 179.5 | 169.3 | 0 | 119.7 | | |
| 106 | D | 33.9 | Very low | 36.3 | Very low | 142 Ų | 142 | 132 Ų | 132 | 76% | 0.759 | 79% | 0.791 | S | S | * | * | | | trans | 61.1 | 141.7 | 163.1 | -53.7 | -21.6 | 0 | 0 | 0 | 118.2 | | |
| 107 | G | 33.8 | Very low | 36.7 | Very low | 69 Ų | 69 | 129.5 Ų | 129.5 | 71% | 0.711 | 79% | 0.793 | S | S | * | * | | | cis | 166.6 | 141.1 | -6.4 | 0 | 0 | 0 | 0 | 0 | 112.1 | | |
| 108 | S | 33.4 | Very low | 37 | Very low | 131 Ų | 131 | 124.4 Ų | 124.4 | 92% | 0.916 | 79% | 0.794 | S | S | * | * | | | trans | 70.5 | 141.9 | -176.5 | -158.5 | 0 | 0 | 0 | 0 | 116.2 | | |
| 109 | G | 39.3 | Very low | 37.3 | Very low | 72 Ų | 72 | 124.1 Ų | 124.1 | 74% | 0.742 | 80% | 0.798 | S | S | * | * | | | cis | 154.3 | 91.4 | -8.6 | 0 | 0 | 0 | 0 | 0 | 114.7 | | |
| 110 | S | 34.8 | Very low | 37.2 | Very low | 130 Ų | 130 | 124.6 Ų | 124.6 | 91% | 0.909 | 79% | 0.789 | S | S | * | * | | | trans | -167 | 154.1 | 159 | -170.3 | 0 | 0 | 0 | 0 | 110.7 | | |
| 111 | A | 40 | Very low | 37.5 | Very low | 83 Ų | 83 | 125.8 Ų | 125.8 | 69% | 0.686 | 78% | 0.783 | S | S | * | * | | | trans | -142.5 | 143.1 | 176.5 | 0 | 0 | 0 | 0 | 0 | 110.8 | | |
| 112 | H | 39.9 | Very low | 38.3 | Very low | 197 Ų | 197 | 126.1 Ų | 126.1 | 91% | 0.912 | 78% | 0.782 | S | S | * | * | | | trans | -160.1 | 164.4 | 153.3 | -115.3 | -79.2 | 0 | 0 | 0 | 111.9 | | |
| 113 | A | 34.2 | Very low | 38.8 | Very low | 92 Ų | 92 | 128.2 Ų | 128.2 | 76% | 0.76 | 79% | 0.786 | S | S | * | * | | | trans | -56.4 | 162.1 | -175 | 0 | 0 | 0 | 0 | 0 | 114.9 | | |
| 114 | G | 35.3 | Very low | 39 | Very low | 68 Ų | 68 | 127.7 Ų | 127.7 | 70% | 0.701 | 78% | 0.779 | S | S | * | * | | | cis | 112.2 | 97.7 | 8.8 | 0 | 0 | 0 | 0 | 0 | 111.9 | | |
| 115 | L | 42.8 | Very low | 39.3 | Very low | 183 Ų | 183 | 129.4 Ų | 129.4 | 96% | 0.958 | 79% | 0.788 | S | S | * | * | | | trans | -139 | 156.3 | 174.5 | -72.4 | 176.5 | 0 | 0 | 0 | 110.1 | | |
| 116 | A | 39.4 | Very low | 40 | Very low | 94 Ų | 94 | 124.4 Ų | 124.4 | 78% | 0.777 | 78% | 0.777 | S | S | * | * | P | Polyproline II helix | trans | -89.4 | 153.7 | -161.3 | 0 | 0 | 0 | 0 | 0 | 115.2 | | |
| 117 | P | 45.5 | Very low | 41.1 | Very low | 129 Ų | 129 | 126.5 Ų | 126.5 | 84% | 0.838 | 79% | 0.787 | S | S | * | * | P | Polyproline II helix | trans | -77.8 | 129.9 | 167.7 | 32.1 | -32.6 | 0 | 0 | 0 | 111.2 | | |
| 118 | A | 42.3 | Very low | 41.5 | Very low | 101 Ų | 101 | 126.4 Ų | 126.4 | 84% | 0.835 | 79% | 0.786 | S | S | * | * | P | Polyproline II helix | trans | -78.5 | 143.4 | 166.6 | 0 | 0 | 0 | 0 | 0 | 110.4 | | |
| 119 | A | 41.2 | Very low | 41.9 | Very low | 96 Ų | 96 | 129.7 Ų | 129.7 | 79% | 0.793 | 79% | 0.787 | S | S | * | * | P | Polyproline II helix | trans | -78.4 | 155.6 | 175.8 | 0 | 0 | 0 | 0 | 0 | 111.8 | | |
| 120 | Y | 35.2 | Very low | 41.9 | Very low | 185 Ų | 185 | 136.6 Ų | 136.6 | 73% | 0.725 | 79% | 0.792 | S | S | * | * | | | | 173.9 | 121.8 | 110.7 | -160.4 | -108.7 | 0 | 0 | 0 | 112.4 | | |
| 121 | Y | 39.8 | Very low | 42.8 | Very low | 181 Ų | 181 | 136 Ų | 136 | 71% | 0.71 | 79% | 0.785 | S | S | * | * | | | trans | 72.2 | 124.5 | 157.7 | -85.6 | -131 | 0 | 0 | 0 | 121.3 | | |
| 122 | P | 46.8 | Very low | 43 | Very low | 127 Ų | 127 | 142.1 Ų | 142.1 | 83% | 0.825 | 79% | 0.792 | S | S | * | * | P | Polyproline II helix | trans | -73.2 | 143.9 | 162.6 | -10 | 26.8 | 0 | 0 | 0 | 111.9 | | |
| 123 | Y | 42.9 | Very low | 43.4 | Very low | 220 Ų | 220 | 140.6 Ų | 140.6 | 86% | 0.863 | 79% | 0.791 | S | S | * | * | P | Polyproline II helix | trans | -87.5 | 144 | 168.2 | -172.2 | -95.3 | 0 | 0 | 0 | 110.8 | | |
| 124 | E | 38.1 | Very low | 44.2 | Very low | 130 Ų | 130 | 147.1 Ų | 147.1 | 61% | 0.607 | 80% | 0.796 | S | S | * | * | P | Polyproline II helix | trans | -85 | 131.5 | -175.8 | -168.9 | -102.2 | -143 | 0 | 0 | 111.2 | A126 | E124-A126 WeakPolarHBondContact OE1-CB 3.21Å; E124-A126 WeakPolarHBondContact OE2-CA 3.38Å; E124-A126 WeakPolarHBondContact OE2-CB 3.22Å; E124-A126 PolarHBondContact OE2-N 2.94Å |
| 125 | P | 47 | Very low | 44.7 | Very low | 128 Ų | 128 | 155.1 Ų | 155.1 | 83% | 0.831 | 81% | 0.806 | S | S | * | * | | | trans | -108.9 | 45.1 | -176.8 | 40.6 | -34.8 | 0 | 0 | 0 | 113.9 | | |
| 126 | A | 53.6 | Low | 45.1 | Very low | 55 Ų | 55 | 149.2 Ų | 149.2 | 46% | 0.455 | 79% | 0.789 | S | S | . | * | | | trans | -81.3 | 172.8 | 163.8 | 0 | 0 | 0 | 0 | 0 | 111.4 | E124 | E124-A126 WeakPolarHBondContact OE1-CB 3.21Å; E124-A126 WeakPolarHBondContact OE2-CA 3.38Å; E124-A126 WeakPolarHBondContact OE2-CB 3.22Å; E124-A126 PolarHBondContact OE2-N 2.94Å |
| 127 | L | 57.3 | Low | 45.8 | Very low | 185 Ų | 185 | 150.3 Ų | 150.3 | 97% | 0.969 | 79% | 0.787 | S | S | * | * | S | Bend | trans | 63.7 | 39.7 | 173.2 | -49.3 | -178.5 | 0 | 0 | 0 | 116.6 | | |
| 128 | G | 43.3 | Very low | 46.2 | Very low | 67 Ų | 67 | 152.9 Ų | 152.9 | 69% | 0.691 | 79% | 0.79 | S | S | * | * | | | trans | -131.4 | -29.1 | 173.3 | 0 | 0 | 0 | 0 | 0 | 117.3 | Y130 | G128-Y130 PolarHBondContact O-N 3.24Å; G128-Y130 VanDerWaalsContact O-N 3.14Å |
| 129 | Q | 41 | Very low | 46.5 | Very low | 200 Ų | 200 | 152.1 Ų | 152.1 | 94% | 0.935 | 77% | 0.772 | S | S | * | * | | | trans | -89.6 | 81.2 | -170.5 | -71.9 | 178.9 | -29.1 | 0 | 0 | 113 | | |
| 130 | Y | 40.5 | Very low | 46.8 | Very low | 218 Ų | 218 | 153.3 Ų | 153.3 | 86% | 0.855 | 77% | 0.774 | S | S | * | * | | | trans | -68.2 | 135 | 168.9 | -117.6 | -96.1 | 0 | 0 | 0 | 111.1 | G128 Y132 | G128-Y130 PolarHBondContact O-N 3.24Å; G128-Y130 VanDerWaalsContact O-N 3.14Å; Y130-Y132 PolarHBondContact O-N 2.94Å |
| 131 | P | 53.1 | Low | 47.5 | Very low | 118 Ų | 118 | 146.7 Ų | 146.7 | 77% | 0.766 | 76% | 0.763 | S | S | * | * | S | Bend | trans | -85.7 | 99.7 | -173.2 | 32.2 | -34.5 | 0 | 0 | 0 | 112.6 | | |
| 132 | Y | 44.8 | Very low | 48.2 | Very low | 210 Ų | 210 | 143.3 Ų | 143.3 | 82% | 0.824 | 76% | 0.761 | S | S | * | * | | | trans | -127.2 | -19.1 | 173.8 | -128.6 | -95 | 0 | 0 | 0 | 115.9 | Y130 R134 | Y130-Y132 PolarHBondContact O-N 2.94Å; Y132-R134 VanDerWaalsContact C-N 3.34Å; Y132-R134 PolarHBondContact O-N 3.03Å |
| 133 | D | 48.2 | Very low | 48.4 | Very low | 166 Ų | 166 | 147.5 Ų | 147.5 | 89% | 0.888 | 76% | 0.76 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -85.3 | 20.7 | -172.3 | -66.2 | -78.9 | 0 | 0 | 0 | 116.5 | | |
| 134 | R | 49.5 | Very low | 49 | Very low | 229 Ų | 229 | 148 Ų | 148 | 86% | 0.864 | 76% | 0.761 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -99.1 | -3 | -176.2 | -167.3 | 158.7 | -76.6 | -169.7 | -1.3 | 115.7 | Y132 | Y132-R134 VanDerWaalsContact C-N 3.34Å; Y132-R134 PolarHBondContact O-N 3.03Å |
| 135 | Y | 46.5 | Very low | 50.4 | Low | 235 Ų | 235 | 150.7 Ų | 150.7 | 92% | 0.922 | 77% | 0.77 | S | S | * | * | S | Bend | trans | -125.5 | 33.4 | -179.6 | -113.8 | -88.3 | 0 | 0 | 0 | 115.6 | | |
| 136 | G | 50.7 | Low | 51.4 | Low | 59 Ų | 59 | 151.6 Ų | 151.6 | 61% | 0.608 | 77% | 0.768 | S | S | * | * | | | trans | -98.1 | 0.2 | 173.6 | 0 | 0 | 0 | 0 | 0 | 116.2 | M138 D139 | G136-M138 PolarHBondContact O-N 2.82Å; G136-D139 PolarHBondContact O-N 3.33Å |
| 137 | T | 54.9 | Low | 52.4 | Low | 118 Ų | 118 | 151.3 Ų | 151.3 | 72% | 0.724 | 77% | 0.765 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -75.9 | 18.3 | -159.9 | -157.8 | 0 | 0 | 0 | 0 | 116.9 | | |
| 138 | M | 53.2 | Low | 53.6 | Low | 183 Ų | 183 | 146.4 Ų | 146.4 | 90% | 0.901 | 74% | 0.743 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -124.1 | 14.9 | 176.8 | -71.2 | -66.8 | 150.3 | 0 | 0 | 114.3 | G136 | G136-M138 PolarHBondContact O-N 2.82Š|
| 139 | D | 48.8 | Very low | 55.6 | Low | 85 Ų | 85 | 153.7 Ų | 153.7 | 46% | 0.455 | 75% | 0.75 | S | S | . | * | | | trans | -125.8 | 92.8 | 159.4 | 175.5 | -141.8 | 0 | 0 | 0 | 111.4 | G136 G141 T142 | G136-D139 PolarHBondContact O-N 3.33Å; D139-G141 VanDerWaalsContact OD2-CA 3.24Å; D139-G141 WeakPolarHBondContact OD2-CA 3.34Å; D139-G141 PolarHBondContact OD2-N 3.46Å; D139-T142 WeakPolarHBondContact OD1-CB 3.32Å; D139-T142 WeakPolarHBondContact OD1-CG2 3.42Å; D139-T142 PolarHBondContact OD1-OG1 2.64Å; D139-T142 PolarHBondContact OD2-N 3.09Å |
| 140 | S | 47.3 | Very low | 57.7 | Low | 120 Ų | 120 | 151.5 Ų | 151.5 | 84% | 0.839 | 74% | 0.74 | S | S | * | * | | | trans | -99 | 14.7 | 157.2 | -72.6 | 0 | 0 | 0 | 0 | 112.1 | | |
| 141 | G | 51 | Low | 60.1 | Low | 47 Ų | 47 | 142.5 Ų | 142.5 | 49% | 0.485 | 71% | 0.707 | S | S | . | * | | | trans | -87.8 | -27.9 | -175 | 0 | 0 | 0 | 0 | 0 | 114.6 | D139 R143 | D139-G141 VanDerWaalsContact OD2-CA 3.24Å; D139-G141 WeakPolarHBondContact OD2-CA 3.34Å; D139-G141 PolarHBondContact OD2-N 3.46Å; G141-R143 VanDerWaalsContact C-N 3.28Å; G141-R143 PolarHBondContact O-N 2.79Å |
| 142 | T | 54.2 | Low | 62 | Low | 109 Ų | 109 | 137.7 Ų | 137.7 | 67% | 0.669 | 68% | 0.676 | S | S | * | * | | | trans | -72.7 | -10.3 | -179.8 | 47.2 | 0 | 0 | 0 | 0 | 115.2 | D139 R144 | D139-T142 WeakPolarHBondContact OD1-CB 3.32Å; D139-T142 WeakPolarHBondContact OD1-CG2 3.42Å; D139-T142 PolarHBondContact OD1-OG1 2.64Å; D139-T142 PolarHBondContact OD2-N 3.09Å; T142-R144 PolarHBondContact O-N 2.85Å |
| 143 | R | 49.8 | Very low | 64.5 | Low | 215 Ų | 215 | 131 Ų | 131 | 81% | 0.811 | 66% | 0.66 | S | S | * | * | S | Bend | trans | -63.2 | 105.6 | 173.9 | -170.2 | -179.7 | -66.7 | -115.2 | 3 | 109.7 | G141 K145 | G141-R143 VanDerWaalsContact C-N 3.28Å; G141-R143 PolarHBondContact O-N 2.79Å; R143-K145 PolarHBondContact O-N 2.68Å |
| 144 | R | 57.1 | Low | 66.8 | Low | 232 Ų | 232 | 125.3 Ų | 125.3 | 88% | 0.875 | 63% | 0.631 | S | S | * | * | | | trans | -43.3 | 99 | -177.5 | -78.6 | -179.1 | -80.9 | 170.9 | -6.6 | 112.3 | T142 N146 | T142-R144 PolarHBondContact O-N 2.85Å; R144-N146 PolarHBondContact O-N 2.78Å; R144-N146 PolarHBondContact O-OD1 2.83Å |
| 145 | K | 67.1 | Low | 69 | Low | 185 Ų | 185 | 114.4 Ų | 114.4 | 80% | 0.804 | 59% | 0.59 | S | S | * | * | | | trans | -61.8 | 108.9 | -179.8 | -65.3 | 178.3 | -177.2 | 178 | 0 | 109.7 | R143 A147 | R143-K145 PolarHBondContact O-N 2.68Å; K145-A147 PolarHBondContact O-N 3.48Å |
| 146 | N | 67.1 | Low | 71.4 | Confident | 148 Ų | 148 | 108 Ų | 108 | 79% | 0.791 | 57% | 0.567 | S | S | * | * | P | Polyproline II helix | trans | -60.2 | 131.3 | 177.8 | -48.3 | 71.6 | 0 | 0 | 0 | 108.9 | R144 T148 | R144-N146 PolarHBondContact O-N 2.78Å; R144-N146 PolarHBondContact O-OD1 2.83Å; N146-T148 PolarHBondContact O-N 3.46Å |
| 147 | A | 75.2 | Confident | 73.5 | Confident | 48 Ų | 48 | 108 Ų | 108 | 40% | 0.397 | 56% | 0.562 | S | S | . | * | P | Polyproline II helix | trans | -58 | 129.7 | 173.3 | 0 | 0 | 0 | 0 | 0 | 109.3 | K145 T152 M182 | K145-A147 PolarHBondContact O-N 3.48Å; A147-T152 HydrophobicContact CB-CG2 3.92Å; A147-M182 HydrophobicContact CB-CE 4.47Å; A147-M182 HydrophobicContact CB-SD 4.16Å |
| 148 | T | 82.7 | Confident | 75.6 | Confident | 83 Ų | 83 | 103.4 Ų | 103.4 | 51% | 0.509 | 53% | 0.531 | S | S | . | . | P | Polyproline II helix | trans | -64 | 157.3 | -174.2 | 70.8 | 0 | 0 | 0 | 0 | 111 | N146 E150 T151 T152 | N146-T148 PolarHBondContact O-N 3.46Å; T148-E150 PolarHBondContact O-N 3.1Å; T148-E150 VanDerWaalsContact O-N 3.12Å; T148-T151 PolarHBondContact N-OG1 3.24Å; T148-T151 PolarHBondContact O-N 3.48Å; T148-T151 PolarHBondContact O-OG1 2.99Å; T148-T151 WeakPolarHBondContact OG1-CG2 3.42Å; T148-T151 PolarHBondContact OG1-N 3.48Å; T148-T151 PolarHBondContact OG1-OG1 2.8Å; T148-T152 PolarHBondContact O-N 3.07Å; T148-T152 VanDerWaalsContact O-N 3.11Å |
| 149 | R | 84.9 | Confident | 77.6 | Confident | 220 Ų | 220 | 95.4 Ų | 95.4 | 83% | 0.83 | 49% | 0.492 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -51.9 | -39.7 | 179.6 | -176 | 172.1 | 176 | -98.9 | 5.4 | 111.4 | T152 S153 | R149-T152 PolarHBondContact O-OG1 3.37Å; R149-S153 PolarHBondContact O-N 3.19Å |
| 150 | E | 85.8 | Confident | 79.8 | Confident | 153 Ų | 153 | 96.9 Ų | 96.9 | 72% | 0.715 | 50% | 0.496 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -70.9 | -45.5 | 179.8 | -62.3 | -177.5 | 179.1 | 0 | 0 | 113.7 | T148 T152 S153 | T148-E150 PolarHBondContact O-N 3.1Å; T148-E150 VanDerWaalsContact O-N 3.12Å; E150-T152 PolarHBondContact O-N 2.85Å; E150-S153 WeakPolarHBondContact O-CA 3.1Å; E150-S153 WeakPolarHBondContact O-CB 3.04Å; E150-S153 PolarHBondContact O-N 3.31Å |
| 151 | T | 90.8 | Very high | 82.1 | Confident | 29 Ų | 29 | 98 Ų | 98 | 18% | 0.178 | 49% | 0.488 | C | S | . | . | H | α-helix | trans | -64.6 | -32.5 | 177.3 | 61.4 | 0 | 0 | 0 | 0 | 111.6 | T148 S153 T180 | T148-T151 PolarHBondContact N-OG1 3.24Å; T148-T151 PolarHBondContact O-N 3.48Å; T148-T151 PolarHBondContact O-OG1 2.99Å; T148-T151 WeakPolarHBondContact OG1-CG2 3.42Å; T148-T151 PolarHBondContact OG1-N 3.48Å; T148-T151 PolarHBondContact OG1-OG1 2.8Å; T151-S153 VanDerWaalsContact C-N 3.26Å; T151-S153 PolarHBondContact O-N 3.09Å; T151-T180 WeakPolarHBondContact CG2-O 3.06Å; T151-T180 VanDerWaalsContact O-CG2 3.27Å; T151-T180 WeakPolarHBondContact O-CG2 3.39Å |
| 152 | T | 92.8 | Very high | 84.2 | Confident | 18 Ų | 18 | 98.6 Ų | 98.6 | 11% | 0.11 | 48% | 0.478 | C | S | . | . | H | α-helix | trans | -72.6 | -15.9 | 169.8 | 74.2 | 0 | 0 | 0 | 0 | 114 | A147 T148 R149 E150 K156 | A147-T152 HydrophobicContact CB-CG2 3.92Å; T148-T152 PolarHBondContact O-N 3.07Å; T148-T152 VanDerWaalsContact O-N 3.11Å; R149-T152 PolarHBondContact O-OG1 3.37Å; E150-T152 PolarHBondContact O-N 2.85Å; T152-K156 WeakPolarHBondContact O-CB 3.46Å; T152-K156 VanDerWaalsContact O-CD 3.24Å; T152-K156 WeakPolarHBondContact O-CD 3.3Å; T152-K156 WeakPolarHBondContact O-CG 3.34Å; T152-K156 PolarHBondContact O-N 3.05Å; T152-K156 PolarHBondContact OG1-NZ 3.04Å |
| 153 | S | 96.3 | Very high | 86 | Confident | 70 Ų | 70 | 97.4 Ų | 97.4 | 49% | 0.49 | 46% | 0.462 | S | S | . | . | H | α-helix | trans | -69.8 | -48.6 | 180 | -157.7 | 0 | 0 | 0 | 0 | 110.9 | R149 E150 T151 L155 K156 A157 | R149-S153 PolarHBondContact O-N 3.19Å; E150-S153 WeakPolarHBondContact O-CA 3.1Å; E150-S153 WeakPolarHBondContact O-CB 3.04Å; E150-S153 PolarHBondContact O-N 3.31Å; T151-S153 VanDerWaalsContact C-N 3.26Å; T151-S153 PolarHBondContact O-N 3.09Å; S153-L155 VanDerWaalsContact C-N 3.32Å; S153-L155 PolarHBondContact O-N 2.76Å; S153-K156 WeakPolarHBondContact O-CB 3.41Å; S153-K156 PolarHBondContact O-N 2.93Å; S153-K156 VanDerWaalsContact O-N 3.09Å; S153-A157 PolarHBondContact O-N 2.91Å |
| 154 | T | 96.4 | Very high | 87.9 | Confident | 46 Ų | 46 | 96.2 Ų | 96.2 | 28% | 0.282 | 46% | 0.462 | S | S | . | . | H | α-helix | trans | -57.2 | -44.2 | 175 | -44.4 | 0 | 0 | 0 | 0 | 111.8 | K156 A157 W158 L176 I179 | T154-K156 VanDerWaalsContact C-N 3.31Å; T154-K156 PolarHBondContact O-N 2.93Å; T154-A157 PolarHBondContact O-N 3Å; T154-W158 PolarHBondContact O-N 3.47Å; T154-W158 VanDerWaalsContact O-N 3.09Å; T154-L176 HydrophobicContact CG2-CD2 3.91Å; T154-I179 HydrophobicContact CG2-CG2 3.87Å |
| 155 | L | 96.9 | Very high | 89.6 | Confident | 0 Ų | 0 | 89.7 Ų | 89.7 | 0% | 0 | 45% | 0.445 | C | S | . | . | H | α-helix | trans | -64.6 | -34.6 | 177.6 | -58 | 177.9 | 0 | 0 | 0 | 112.5 | S153 L159 L176 T180 M182 V187 W190 F191 | S153-L155 VanDerWaalsContact C-N 3.32Å; S153-L155 PolarHBondContact O-N 2.76Å; L155-L159 VanDerWaalsContact O-CB 3.24Å; L155-L159 WeakPolarHBondContact O-CB 3.28Å; L155-L159 PolarHBondContact O-N 3.38Å; L155-L176 HydrophobicContact CD2-CB 4.12Å; L155-L176 HydrophobicContact CD2-CD1 4.45Å; L155-L176 HydrophobicContact CD2-CD2 4.4Å; L155-T180 HydrophobicContact CD2-CG2 3.92Å; L155-T180 HydrophobicContact CG-CG2 3.94Å; L155-M182 HydrophobicContact CD1-CE 4.22Å; L155-M182 HydrophobicContact CD1-SD 3.97Å; L155-V187 HydrophobicContact CD2-CG1 4.19Å; L155-W190 HydrophobicContact CB-CD2 4.04Å; L155-W190 HydrophobicContact CB-CE3 3.81Å; L155-W190 HydrophobicContact CB-CH2 3.63Å; L155-W190 HydrophobicContact CB-CZ2 3.84Å; L155-W190 HydrophobicContact CB-CZ3 3.62Å; L155-W190 HydrophobicContact CD1-CB 4.32Å; L155-W190 HydrophobicContact CD1-CD2 3.67Å; L155-W190 HydrophobicContact CD1-CE3 4.11Å; L155-W190 HydrophobicContact CD1-CG 3.75Å; L155-W190 HydrophobicContact CG-CD2 4.46Å; L155-W190 HydrophobicContact CG-CE3 4.48Å; L155-F191 HydrophobicContact CD2-CE2 3.94Å; L155-F191 HydrophobicContact CD2-CZ 4.32Å |
| 156 | K | 95.5 | Very high | 90.9 | Very high | 99 Ų | 99 | 81 Ų | 81 | 43% | 0.43 | 41% | 0.407 | S | S | . | . | H | α-helix | trans | -71.5 | -40.9 | 173.8 | -72.5 | 159.8 | -173.4 | 156.4 | 0 | 111.9 | T152 S153 T154 L159 Q160 W190 | T152-K156 WeakPolarHBondContact O-CB 3.46Å; T152-K156 VanDerWaalsContact O-CD 3.24Å; T152-K156 WeakPolarHBondContact O-CD 3.3Å; T152-K156 WeakPolarHBondContact O-CG 3.34Å; T152-K156 PolarHBondContact O-N 3.05Å; T152-K156 PolarHBondContact OG1-NZ 3.04Å; S153-K156 WeakPolarHBondContact O-CB 3.41Å; S153-K156 PolarHBondContact O-N 2.93Å; S153-K156 VanDerWaalsContact O-N 3.09Å; T154-K156 VanDerWaalsContact C-N 3.31Å; T154-K156 PolarHBondContact O-N 2.93Å; K156-L159 PolarHBondContact O-N 3.32Å; K156-Q160 WeakPolarHBondContact O-CG 3.3Å; K156-Q160 PolarHBondContact O-N 3.24Å; K156-W190 HydrophobicContact CG-CH2 4.06Å; K156-W190 HydrophobicContact CG-CZ2 4.09Å |
| 157 | A | 96.7 | Very high | 92.3 | Very high | 61 Ų | 61 | 80 Ų | 80 | 50% | 0.504 | 39% | 0.393 | S | S | . | . | H | α-helix | trans | -60.2 | -54.2 | 179 | 0 | 0 | 0 | 0 | 0 | 110.9 | S153 T154 L159 Q160 E161 | S153-A157 PolarHBondContact O-N 2.91Å; T154-A157 PolarHBondContact O-N 3Å; A157-L159 PolarHBondContact O-N 2.95Å; A157-Q160 WeakPolarHBondContact O-CB 3.49Å; A157-Q160 PolarHBondContact O-N 3.27Å; A157-E161 PolarHBondContact O-N 3.27Å; A157-E161 VanDerWaalsContact O-N 3.1Å |
| 158 | W | 97.3 | Very high | 93.4 | Very high | 20 Ų | 20 | 78.5 Ų | 78.5 | 8% | 0.076 | 38% | 0.379 | C | S | . | . | H | α-helix | trans | -57.1 | -38.3 | 175.4 | -174.1 | 93.6 | 0 | 0 | 0 | 111.8 | T154 Q160 E161 H162 P168 E172 L176 F191 | T154-W158 PolarHBondContact O-N 3.47Å; T154-W158 VanDerWaalsContact O-N 3.09Å; W158-Q160 PolarHBondContact O-N 2.85Å; W158-E161 PolarHBondContact O-N 2.76Å; W158-H162 AromaticContact CD1-CE1 3.82Å; W158-H162 AromaticContact CD1-ND1 3.61Å; W158-H162 HydrophobicContact CD2-CB 4.17Å; W158-H162 AromaticContact CD2-CG 3.95Å; W158-H162 AromaticContact CD2-ND1 3.65Å; W158-H162 AromaticContact CE2-CD2 3.98Å; W158-H162 AromaticContact CE2-CE1 3.74Å; W158-H162 AromaticContact CE2-CG 3.46Å; W158-H162 VanDerWaalsContact CE2-CG 3.46Å; W158-H162 AromaticContact CE2-ND1 3.29Å; W158-H162 VanDerWaalsContact CE2-ND1 3.29Å; W158-H162 HydrophobicContact CE3-CB 3.97Å; W158-H162 AromaticContact CG-ND1 3.84Å; W158-H162 HydrophobicContact CH2-CB 3.44Å; W158-H162 VanDerWaalsContact CH2-CB 3.44Å; W158-H162 AromaticContact CH2-CG 3.65Å; W158-H162 HydrophobicContact CZ2-CB 3.68Å; W158-H162 AromaticContact CZ2-CD2 3.57Å; W158-H162 AromaticContact CZ2-CG 3.3Å; W158-H162 AromaticContact CZ2-ND1 3.67Å; W158-H162 HydrophobicContact CZ3-CB 3.62Å; W158-H162 AromaticContact NE1-CE1 3.37Å; W158-H162 PolarHBondContact NE1-CE1 2.79Å; W158-H162 AromaticContact NE1-CG 3.91Å; W158-H162 AromaticContact NE1-ND1 3.31Å; W158-H162 PolarHBondContact NE1-ND1 3.43Å; W158-H162 AromaticContact NE1-NE2 3.98Å; W158-H162 VanDerWaalsContact O-CB 3.3Å; W158-H162 WeakPolarHBondContact O-CB 2.99Å; W158-H162 PolarHBondContact O-N 3.09Å; W158-H162 PolarHBondContact O-ND1 3.41Å; W158-P168 VanDerWaalsContact CH2-CA 3.47Å; W158-P168 HydrophobicContact CH2-CB 3.63Å; W158-P168 HydrophobicContact CH2-CG 4.09Å; W158-P168 VanDerWaalsContact CH2-N 3.32Å; W158-P168 HydrophobicContact CZ2-CB 3.58Å; W158-P168 HydrophobicContact CZ3-CB 4.13Å; W158-P168 HydrophobicContact CZ3-CG 4.22Å; W158-E172 VanDerWaalsContact CE2-OE1 3.29Å; W158-E172 VanDerWaalsContact CZ2-OE1 3.28Å; W158-E172 WeakPolarHBondContact CZ2-OE1 3.33Å; W158-E172 PolarHBondContact NE1-OE1 3.45Å; W158-L176 HydrophobicContact CB-CD1 4.35Å; W158-L176 HydrophobicContact CB-CD2 4.2Å; W158-L176 HydrophobicContact CD2-CD1 4.12Å; W158-L176 HydrophobicContact CG-CD1 3.93Å; W158-L176 HydrophobicContact CG-CD2 4.41Å; W158-F191 HydrophobicContact CD2-CE1 4.47Å; W158-F191 HydrophobicContact CD2-CZ 4.19Å; W158-F191 HydrophobicContact CE3-CD1 4.39Å; W158-F191 AromaticContact CE3-CE1 3.35Å; W158-F191 HydrophobicContact CE3-CE1 3.35Å; W158-F191 AromaticContact CE3-CZ 3.46Å; W158-F191 HydrophobicContact CE3-CZ 3.46Å; W158-F191 VanDerWaalsContact CE3-CZ 3.46Å; W158-F191 HydrophobicContact CZ3-CD1 4.22Å; W158-F191 AromaticContact CZ3-CE1 3.58Å; W158-F191 HydrophobicContact CZ3-CE1 3.58Å; W158-F191 HydrophobicContact CZ3-CZ 4.01Å |
| 159 | L | 96.1 | Very high | 94.1 | Very high | 16 Ų | 16 | 78.5 Ų | 78.5 | 8% | 0.084 | 38% | 0.379 | C | S | . | . | H | α-helix | trans | -69.2 | -26.7 | 176.9 | -176.5 | 65.7 | 0 | 0 | 0 | 114 | L155 K156 A157 R163 P166 W190 F191 A194 | L155-L159 VanDerWaalsContact O-CB 3.24Å; L155-L159 WeakPolarHBondContact O-CB 3.28Å; L155-L159 PolarHBondContact O-N 3.38Å; K156-L159 PolarHBondContact O-N 3.32Å; A157-L159 PolarHBondContact O-N 2.95Å; L159-R163 PolarHBondContact O-N 2.62Å; L159-P166 HydrophobicContact CD1-CB 3.48Å; L159-P166 VanDerWaalsContact CD1-CB 3.48Å; L159-W190 HydrophobicContact CD2-CH2 4Å; L159-W190 HydrophobicContact CD2-CZ3 4.01Å; L159-F191 HydrophobicContact CB-CE1 4.21Å; L159-F191 HydrophobicContact CD1-CD1 4.36Å; L159-F191 HydrophobicContact CD1-CE1 4.22Å; L159-A194 HydrophobicContact CD2-CB 3.79Å |
| 160 | Q | 94.3 | Very high | 94.7 | Very high | 115 Ų | 115 | 76.7 Ų | 76.7 | 54% | 0.537 | 38% | 0.377 | S | S | . | . | H | α-helix | trans | -77 | -40.9 | 176.1 | -63.8 | -100.1 | 19.1 | 0 | 0 | 110.8 | K156 A157 W158 R163 | K156-Q160 WeakPolarHBondContact O-CG 3.3Å; K156-Q160 PolarHBondContact O-N 3.24Å; A157-Q160 WeakPolarHBondContact O-CB 3.49Å; A157-Q160 PolarHBondContact O-N 3.27Å; W158-Q160 PolarHBondContact O-N 2.85Å; Q160-R163 VanDerWaalsContact CD-NH2 3.29Å; Q160-R163 WeakPolarHBondContact O-CG 3.38Å |
| 161 | E | 96.4 | Very high | 95.3 | Very high | 145 Ų | 145 | 71.6 Ų | 71.6 | 68% | 0.678 | 37% | 0.366 | S | S | * | . | H | α-helix | trans | -63.9 | -54.9 | 173.2 | -179.8 | -178.4 | -143.6 | 0 | 0 | 110.8 | A157 W158 R163 | A157-E161 PolarHBondContact O-N 3.27Å; A157-E161 VanDerWaalsContact O-N 3.1Å; W158-E161 PolarHBondContact O-N 2.76Å; E161-R163 PolarHBondContact O-N 3.31Å |
| 162 | H | 94.5 | Very high | 95.7 | Very high | 58 Ų | 58 | 72.2 Ų | 72.2 | 27% | 0.269 | 37% | 0.367 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -83.3 | 30.8 | -178.1 | -65.4 | 78.3 | 0 | 0 | 0 | 113.3 | W158 K164 N165 P166 E172 | W158-H162 AromaticContact CD1-CE1 3.82Å; W158-H162 AromaticContact CD1-ND1 3.61Å; W158-H162 HydrophobicContact CD2-CB 4.17Å; W158-H162 AromaticContact CD2-CG 3.95Å; W158-H162 AromaticContact CD2-ND1 3.65Å; W158-H162 AromaticContact CE2-CD2 3.98Å; W158-H162 AromaticContact CE2-CE1 3.74Å; W158-H162 AromaticContact CE2-CG 3.46Å; W158-H162 VanDerWaalsContact CE2-CG 3.46Å; W158-H162 AromaticContact CE2-ND1 3.29Å; W158-H162 VanDerWaalsContact CE2-ND1 3.29Å; W158-H162 HydrophobicContact CE3-CB 3.97Å; W158-H162 AromaticContact CG-ND1 3.84Å; W158-H162 HydrophobicContact CH2-CB 3.44Å; W158-H162 VanDerWaalsContact CH2-CB 3.44Å; W158-H162 AromaticContact CH2-CG 3.65Å; W158-H162 HydrophobicContact CZ2-CB 3.68Å; W158-H162 AromaticContact CZ2-CD2 3.57Å; W158-H162 AromaticContact CZ2-CG 3.3Å; W158-H162 AromaticContact CZ2-ND1 3.67Å; W158-H162 HydrophobicContact CZ3-CB 3.62Å; W158-H162 AromaticContact NE1-CE1 3.37Å; W158-H162 PolarHBondContact NE1-CE1 2.79Å; W158-H162 AromaticContact NE1-CG 3.91Å; W158-H162 AromaticContact NE1-ND1 3.31Å; W158-H162 PolarHBondContact NE1-ND1 3.43Å; W158-H162 AromaticContact NE1-NE2 3.98Å; W158-H162 VanDerWaalsContact O-CB 3.3Å; W158-H162 WeakPolarHBondContact O-CB 2.99Å; W158-H162 PolarHBondContact O-N 3.09Å; W158-H162 PolarHBondContact O-ND1 3.41Å; H162-K164 VanDerWaalsContact C-N 3.3Å; H162-K164 PolarHBondContact O-N 3.07Å; H162-N165 CarbonylContact O-C 3.08Å; H162-N165 PolarHBondContact O-N 3.34Å; H162-N165 VanDerWaalsContact O-N 3.07Å; H162-P166 WeakPolarHBondContact O-CA 3.4Å; H162-E172 IonicContact CE1-OE1 3.87Å; H162-E172 IonicContact NE2-OE1 3.6Å |
| 163 | R | 92.5 | Very high | 95.9 | Very high | 85 Ų | 85 | 73.8 Ų | 73.8 | 32% | 0.321 | 37% | 0.372 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -49 | -46.9 | 178.8 | -93.1 | -85.4 | 163.6 | 51.1 | 5.4 | 113.2 | L159 Q160 E161 N165 M204 | L159-R163 PolarHBondContact O-N 2.62Å; Q160-R163 VanDerWaalsContact CD-NH2 3.29Å; Q160-R163 WeakPolarHBondContact O-CG 3.38Å; E161-R163 PolarHBondContact O-N 3.31Å; R163-N165 VanDerWaalsContact C-N 3.32Å; R163-N165 PolarHBondContact O-N 3.47Å; R163-M204 WeakPolarHBondContact O-CE 3.36Å |
| 164 | K | 89.6 | Confident | 96 | Very high | 189 Ų | 189 | 74.3 Ų | 74.3 | 82% | 0.822 | 37% | 0.368 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -69.3 | -27.5 | -177.3 | -63.6 | -175.2 | -176.2 | -180 | 0 | 113.1 | H162 W206 | H162-K164 VanDerWaalsContact C-N 3.3Å; H162-K164 PolarHBondContact O-N 3.07Å; K164-W206 WeakPolarHBondContact O-CH2 3.46Å; K164-W206 VanDerWaalsContact O-CZ3 3.32Å; K164-W206 WeakPolarHBondContact O-CZ3 3.32Å |
| 165 | N | 92.1 | Very high | 96.1 | Very high | 96 Ų | 96 | 77.7 Ų | 77.7 | 51% | 0.513 | 38% | 0.382 | S | S | . | . | | | trans | -146.1 | 77.9 | 178.3 | -171.4 | 16.2 | 0 | 0 | 0 | 111.6 | H162 R163 Y167 | H162-N165 CarbonylContact O-C 3.08Å; H162-N165 PolarHBondContact O-N 3.34Å; H162-N165 VanDerWaalsContact O-N 3.07Å; R163-N165 VanDerWaalsContact C-N 3.32Å; R163-N165 PolarHBondContact O-N 3.47Å; N165-Y167 PolarHBondContact O-N 2.92Å; N165-Y167 WeakPolarHBondContact OD1-CD2 3.43Å |
| 166 | P | 95.4 | Very high | 96.1 | Very high | 1 Ų | 1 | 78 Ų | 78 | 1% | 0.006 | 38% | 0.384 | C | S | . | . | | | trans | -78.2 | 42 | -171.8 | 31.1 | -36.2 | 0 | 0 | 0 | 113.5 | L159 H162 R195 W206 | L159-P166 HydrophobicContact CD1-CB 3.48Å; L159-P166 VanDerWaalsContact CD1-CB 3.48Å; H162-P166 WeakPolarHBondContact O-CA 3.4Å; P166-R195 HydrophobicContact CB-CG 4.04Å; P166-R195 HydrophobicContact CG-CG 3.81Å; P166-R195 VanDerWaalsContact O-CD 3.32Å; P166-R195 WeakPolarHBondContact O-CD 3.27Å; P166-R195 PolarHBondContact O-NH1 3.1Å; P166-W206 HydrophobicContact CG-CZ2 4.06Å |
| 167 | Y | 97.3 | Very high | 96.2 | Very high | 129 Ų | 129 | 74 Ų | 74 | 51% | 0.506 | 37% | 0.369 | S | S | . | . | | | trans | -117.4 | 87.1 | -178.7 | -74 | -101.9 | 0 | 0 | 0 | 109.5 | N165 T169 R195 W206 | N165-Y167 PolarHBondContact O-N 2.92Å; N165-Y167 WeakPolarHBondContact OD1-CD2 3.43Å; Y167-T169 PolarHBondContact O-N 3.35Å; Y167-R195 VanDerWaalsContact CE2-CD 3.4Å; Y167-W206 HydrophobicContact CE2-CH2 4.21Å; Y167-W206 AromaticContact CE2-CZ2 3.96Å; Y167-W206 HydrophobicContact CE2-CZ2 3.96Å |
| 168 | P | 97.1 | Very high | 96.3 | Very high | 15 Ų | 15 | 76.9 Ų | 76.9 | 10% | 0.097 | 38% | 0.375 | C | S | . | . | | | trans | -62.8 | 136 | -176.7 | 23.8 | -32.7 | 0 | 0 | 0 | 111.1 | W158 E172 F191 | W158-P168 VanDerWaalsContact CH2-CA 3.47Å; W158-P168 HydrophobicContact CH2-CB 3.63Å; W158-P168 HydrophobicContact CH2-CG 4.09Å; W158-P168 VanDerWaalsContact CH2-N 3.32Å; W158-P168 HydrophobicContact CZ2-CB 3.58Å; W158-P168 HydrophobicContact CZ3-CB 4.13Å; W158-P168 HydrophobicContact CZ3-CG 4.22Å; P168-E172 HydrophobicContact CB-CB 4.04Å; P168-F191 HydrophobicContact CG-CD1 4.44Å; P168-F191 HydrophobicContact CG-CD2 3.81Å; P168-F191 HydrophobicContact CG-CE2 3.98Å; P168-F191 HydrophobicContact CG-CG 4.06Å; P168-F191 HydrophobicContact CG-CZ 4.4Å |
| 169 | T | 98.2 | Very high | 96.2 | Very high | 84 Ų | 84 | 80.4 Ų | 80.4 | 52% | 0.515 | 39% | 0.394 | S | S | . | . | | | trans | -61.6 | 171.6 | 176 | 63.2 | 0 | 0 | 0 | 0 | 111.8 | Y167 G171 E172 K173 | Y167-T169 PolarHBondContact O-N 3.35Å; T169-G171 VanDerWaalsContact C-N 3.27Å; T169-G171 PolarHBondContact O-N 3.2Å; T169-E172 VanDerWaalsContact CB-OE2 3.23Å; T169-E172 WeakPolarHBondContact CB-OE2 3.45Å; T169-E172 VanDerWaalsContact CG2-OE2 3.22Å; T169-E172 WeakPolarHBondContact CG2-OE2 3.45Å; T169-E172 PolarHBondContact N-OE2 2.98Å; T169-E172 PolarHBondContact O-N 3.09Å; T169-E172 WeakPolarHBondContact OG1-CG 3.22Å; T169-E172 PolarHBondContact OG1-N 3.16Å; T169-E172 PolarHBondContact OG1-OE2 3.14Å; T169-K173 WeakPolarHBondContact O-CB 3.43Å; T169-K173 PolarHBondContact O-N 3.25Å |
| 170 | K | 97.8 | Very high | 96.3 | Very high | 182 Ų | 182 | 79.8 Ų | 79.8 | 79% | 0.791 | 39% | 0.391 | S | S | * | . | H | α-helix | trans | -57.7 | -40.6 | 176.5 | -169.6 | 179.4 | 179 | -175.2 | 0 | 111.8 | I174 | K170-I174 HydrophobicContact CG-CD1 4.48Å; K170-I174 WeakPolarHBondContact O-CD1 3.45Å; K170-I174 VanDerWaalsContact O-CG1 3.31Å; K170-I174 WeakPolarHBondContact O-CG1 3.16Å; K170-I174 PolarHBondContact O-N 3.44Å |
| 171 | G | 98.1 | Very high | 96.4 | Very high | 46 Ų | 46 | 83.6 Ų | 83.6 | 47% | 0.474 | 41% | 0.406 | S | S | . | . | H | α-helix | trans | -68.5 | -51.7 | 178.3 | 0 | 0 | 0 | 0 | 0 | 112.7 | T169 K173 I174 M175 | T169-G171 VanDerWaalsContact C-N 3.27Å; T169-G171 PolarHBondContact O-N 3.2Å; G171-K173 VanDerWaalsContact C-N 3.31Å; G171-K173 PolarHBondContact O-N 3.06Å; G171-I174 WeakPolarHBondContact O-CB 3.24Å; G171-I174 PolarHBondContact O-N 3.35Å; G171-M175 PolarHBondContact O-N 3.41Å |
| 172 | E | 98 | Very high | 96.3 | Very high | 42 Ų | 42 | 77.9 Ų | 77.9 | 20% | 0.196 | 38% | 0.379 | C | S | . | . | H | α-helix | trans | -61.2 | -38.8 | 179.6 | -65.6 | 164.7 | 107.9 | 0 | 0 | 112.3 | W158 H162 P168 T169 I174 M175 L176 | W158-E172 VanDerWaalsContact CE2-OE1 3.29Å; W158-E172 VanDerWaalsContact CZ2-OE1 3.28Å; W158-E172 WeakPolarHBondContact CZ2-OE1 3.33Å; W158-E172 PolarHBondContact NE1-OE1 3.45Å; H162-E172 IonicContact CE1-OE1 3.87Å; H162-E172 IonicContact NE2-OE1 3.6Å; P168-E172 HydrophobicContact CB-CB 4.04Å; T169-E172 VanDerWaalsContact CB-OE2 3.23Å; T169-E172 WeakPolarHBondContact CB-OE2 3.45Å; T169-E172 VanDerWaalsContact CG2-OE2 3.22Å; T169-E172 WeakPolarHBondContact CG2-OE2 3.45Å; T169-E172 PolarHBondContact N-OE2 2.98Å; T169-E172 PolarHBondContact O-N 3.09Å; T169-E172 WeakPolarHBondContact OG1-CG 3.22Å; T169-E172 PolarHBondContact OG1-N 3.16Å; T169-E172 PolarHBondContact OG1-OE2 3.14Å; E172-I174 PolarHBondContact O-N 2.95Å; E172-M175 PolarHBondContact O-N 3.43Å; E172-L176 WeakPolarHBondContact O-CB 3.07Å; E172-L176 VanDerWaalsContact O-CG 3.25Å; E172-L176 WeakPolarHBondContact O-CG 3.23Å; E172-L176 PolarHBondContact O-N 2.82Å |
| 173 | K | 97.9 | Very high | 96.4 | Very high | 51 Ų | 51 | 78.8 Ų | 78.8 | 22% | 0.222 | 39% | 0.389 | C | S | . | . | H | α-helix | trans | -63.9 | -32.4 | 177.4 | -159.3 | -170.4 | -63.8 | -176.4 | 0 | 112.1 | T169 G171 A177 L184 V187 S188 | T169-K173 WeakPolarHBondContact O-CB 3.43Å; T169-K173 PolarHBondContact O-N 3.25Å; G171-K173 VanDerWaalsContact C-N 3.31Å; G171-K173 PolarHBondContact O-N 3.06Å; K173-A177 VanDerWaalsContact O-CB 3.27Å; K173-A177 WeakPolarHBondContact O-CB 3.27Å; K173-A177 PolarHBondContact O-N 3.36Å; K173-A177 VanDerWaalsContact O-N 3.11Å; K173-L184 HydrophobicContact CB-CD1 3.99Å; K173-L184 HydrophobicContact CD-CD1 3.81Å; K173-L184 HydrophobicContact CD-CG 3.93Å; K173-L184 HydrophobicContact CG-CD1 3.69Å; K173-L184 HydrophobicContact CG-CG 4.32Å; K173-L184 WeakPolarHBondContact O-CD1 3.5Å; K173-V187 HydrophobicContact CG-CB 4.38Å; K173-V187 HydrophobicContact CG-CG1 3.86Å; K173-S188 PolarHBondContact NZ-OG 3.27Å |
| 174 | I | 97.8 | Very high | 96.6 | Very high | 80 Ų | 80 | 78.8 Ų | 78.8 | 41% | 0.41 | 40% | 0.395 | S | S | . | . | H | α-helix | trans | -72.2 | -47.2 | 173 | -67.1 | 164.9 | 0 | 0 | 0 | 110.2 | K170 G171 E172 L176 A177 I178 L184 | K170-I174 HydrophobicContact CG-CD1 4.48Å; K170-I174 WeakPolarHBondContact O-CD1 3.45Å; K170-I174 VanDerWaalsContact O-CG1 3.31Å; K170-I174 WeakPolarHBondContact O-CG1 3.16Å; K170-I174 PolarHBondContact O-N 3.44Å; G171-I174 WeakPolarHBondContact O-CB 3.24Å; G171-I174 PolarHBondContact O-N 3.35Å; E172-I174 PolarHBondContact O-N 2.95Å; I174-L176 PolarHBondContact O-N 3.09Å; I174-A177 WeakPolarHBondContact O-CB 3.39Å; I174-A177 PolarHBondContact O-N 3.18Å; I174-A177 VanDerWaalsContact O-N 3.16Å; I174-I178 HydrophobicContact CG2-CD1 3.88Å; I174-I178 WeakPolarHBondContact O-CG1 3.24Å; I174-I178 PolarHBondContact O-N 3.07Å; I174-L184 HydrophobicContact CG1-CD1 3.9Å |
| 175 | M | 98.2 | Very high | 97 | Very high | 117 Ų | 117 | 74.6 Ų | 74.6 | 58% | 0.576 | 39% | 0.385 | S | S | * | . | H | α-helix | trans | -57 | -48.1 | 177.3 | -173.4 | -168.3 | -67.9 | 0 | 0 | 111.7 | G171 E172 A177 I178 I179 | G171-M175 PolarHBondContact O-N 3.41Å; E172-M175 PolarHBondContact O-N 3.43Å; M175-A177 PolarHBondContact O-N 2.83Å; M175-I178 PolarHBondContact O-N 3.42Å; M175-I179 HydrophobicContact CG-CD1 3.84Å; M175-I179 WeakPolarHBondContact O-CG1 3.46Å; M175-I179 PolarHBondContact O-N 3.04Å; M175-I179 HydrophobicContact SD-CD1 4.47Å |
| 176 | L | 97.9 | Very high | 97.2 | Very high | 8 Ų | 8 | 74.6 Ų | 74.6 | 4% | 0.042 | 38% | 0.382 | C | S | . | . | H | α-helix | trans | -64 | -38.2 | 176.6 | -68.2 | 171.3 | 0 | 0 | 0 | 111.8 | T154 L155 W158 E172 I174 T180 V187 F191 | T154-L176 HydrophobicContact CG2-CD2 3.91Å; L155-L176 HydrophobicContact CD2-CB 4.12Å; L155-L176 HydrophobicContact CD2-CD1 4.45Å; L155-L176 HydrophobicContact CD2-CD2 4.4Å; W158-L176 HydrophobicContact CB-CD1 4.35Å; W158-L176 HydrophobicContact CB-CD2 4.2Å; W158-L176 HydrophobicContact CD2-CD1 4.12Å; W158-L176 HydrophobicContact CG-CD1 3.93Å; W158-L176 HydrophobicContact CG-CD2 4.41Å; E172-L176 WeakPolarHBondContact O-CB 3.07Å; E172-L176 VanDerWaalsContact O-CG 3.25Å; E172-L176 WeakPolarHBondContact O-CG 3.23Å; E172-L176 PolarHBondContact O-N 2.82Å; I174-L176 PolarHBondContact O-N 3.09Å; L176-T180 VanDerWaalsContact O-CB 3.3Å; L176-T180 WeakPolarHBondContact O-CB 3.08Å; L176-T180 VanDerWaalsContact O-CG2 3.29Å; L176-T180 WeakPolarHBondContact O-CG2 3.4Å; L176-T180 PolarHBondContact O-N 3.22Å; L176-T180 PolarHBondContact O-OG1 3.02Å; L176-V187 HydrophobicContact CB-CG1 4.24Å; L176-F191 HydrophobicContact CD1-CE2 3.74Å; L176-F191 HydrophobicContact CD1-CZ 3.87Å |
| 177 | A | 97.6 | Very high | 97.3 | Very high | 13 Ų | 13 | 74.6 Ų | 74.6 | 11% | 0.107 | 38% | 0.382 | C | S | . | . | H | α-helix | trans | -61.6 | -43.1 | 174.1 | 0 | 0 | 0 | 0 | 0 | 112.3 | K173 I174 M175 K181 M182 L184 V187 | K173-A177 VanDerWaalsContact O-CB 3.27Å; K173-A177 WeakPolarHBondContact O-CB 3.27Å; K173-A177 PolarHBondContact O-N 3.36Å; K173-A177 VanDerWaalsContact O-N 3.11Å; I174-A177 WeakPolarHBondContact O-CB 3.39Å; I174-A177 PolarHBondContact O-N 3.18Å; I174-A177 VanDerWaalsContact O-N 3.16Å; M175-A177 PolarHBondContact O-N 2.83Å; A177-K181 WeakPolarHBondContact O-CA 3.47Å; A177-K181 PolarHBondContact O-N 2.94Å; A177-M182 WeakPolarHBondContact CA-O 3.36Å; A177-M182 VanDerWaalsContact CB-O 3.26Å; A177-M182 WeakPolarHBondContact CB-O 3.25Å; A177-M182 PolarHBondContact O-N 3.42Å; A177-M182 VanDerWaalsContact O-N 3.15Å; A177-L184 HydrophobicContact CB-CD1 4.47Å; A177-V187 HydrophobicContact CB-CG2 4.06Å |
| 178 | I | 97.5 | Very high | 97.3 | Very high | 122 Ų | 122 | 70.5 Ų | 70.5 | 63% | 0.626 | 37% | 0.373 | S | S | * | . | H | α-helix | trans | -63.5 | -54.1 | 176.5 | -66.6 | 164.6 | 0 | 0 | 0 | 110.8 | I174 M175 T180 K181 | I174-I178 HydrophobicContact CG2-CD1 3.88Å; I174-I178 WeakPolarHBondContact O-CG1 3.24Å; I174-I178 PolarHBondContact O-N 3.07Å; M175-I178 PolarHBondContact O-N 3.42Å; I178-T180 PolarHBondContact O-N 3.3Å; I178-K181 PolarHBondContact O-N 3.33Å |
| 179 | I | 96.8 | Very high | 97.3 | Very high | 94 Ų | 94 | 74 Ų | 74 | 48% | 0.482 | 39% | 0.394 | S | S | . | . | H | α-helix | trans | -61.6 | -43.7 | -176.7 | -64.2 | 165 | 0 | 0 | 0 | 111.2 | T154 M175 K181 | T154-I179 HydrophobicContact CG2-CG2 3.87Å; M175-I179 HydrophobicContact CG-CD1 3.84Å; M175-I179 WeakPolarHBondContact O-CG1 3.46Å; M175-I179 PolarHBondContact O-N 3.04Å; M175-I179 HydrophobicContact SD-CD1 4.47Å; I179-K181 VanDerWaalsContact C-N 3.31Å; I179-K181 PolarHBondContact O-N 3.24Å |
| 180 | T | 96.7 | Very high | 97.3 | Very high | 3 Ų | 3 | 72.7 Ų | 72.7 | 2% | 0.018 | 38% | 0.379 | C | S | . | . | H | α-helix | trans | -83 | -6.6 | -178.1 | 62.9 | 0 | 0 | 0 | 0 | 113.9 | T151 L155 L176 I178 M182 | T151-T180 WeakPolarHBondContact CG2-O 3.06Å; T151-T180 VanDerWaalsContact O-CG2 3.27Å; T151-T180 WeakPolarHBondContact O-CG2 3.39Å; L155-T180 HydrophobicContact CD2-CG2 3.92Å; L155-T180 HydrophobicContact CG-CG2 3.94Å; L176-T180 VanDerWaalsContact O-CB 3.3Å; L176-T180 WeakPolarHBondContact O-CB 3.08Å; L176-T180 VanDerWaalsContact O-CG2 3.29Å; L176-T180 WeakPolarHBondContact O-CG2 3.4Å; L176-T180 PolarHBondContact O-N 3.22Å; L176-T180 PolarHBondContact O-OG1 3.02Å; I178-T180 PolarHBondContact O-N 3.3Å; T180-M182 PolarHBondContact O-N 3.06Å; T180-M182 WeakPolarHBondContact OG1-CB 3.34Å |
| 181 | K | 96.2 | Very high | 97.2 | Very high | 195 Ų | 195 | 64.1 Ų | 64.1 | 85% | 0.848 | 34% | 0.342 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 53.5 | 29.4 | -173.3 | -55.7 | 176.7 | -177.3 | 176 | 0 | 112.8 | A177 I178 I179 | A177-K181 WeakPolarHBondContact O-CA 3.47Å; A177-K181 PolarHBondContact O-N 2.94Å; I178-K181 PolarHBondContact O-N 3.33Å; I179-K181 VanDerWaalsContact C-N 3.31Å; I179-K181 PolarHBondContact O-N 3.24Å |
| 182 | M | 94.6 | Very high | 97.2 | Very high | 25 Ų | 25 | 63.2 Ų | 63.2 | 12% | 0.123 | 33% | 0.33 | C | S | . | . | | | trans | -103.7 | 149.5 | 177.8 | -68.6 | 174 | 59 | 0 | 0 | 110 | A147 L155 A177 T180 Q186 V187 | A147-M182 HydrophobicContact CB-CE 4.47Å; A147-M182 HydrophobicContact CB-SD 4.16Å; L155-M182 HydrophobicContact CD1-CE 4.22Å; L155-M182 HydrophobicContact CD1-SD 3.97Å; A177-M182 WeakPolarHBondContact CA-O 3.36Å; A177-M182 VanDerWaalsContact CB-O 3.26Å; A177-M182 WeakPolarHBondContact CB-O 3.25Å; A177-M182 PolarHBondContact O-N 3.42Å; A177-M182 VanDerWaalsContact O-N 3.15Å; T180-M182 PolarHBondContact O-N 3.06Å; T180-M182 WeakPolarHBondContact OG1-CB 3.34Å; M182-Q186 HydrophobicContact CB-CB 4.19Å; M182-Q186 HydrophobicContact CE-CB 3.79Å; M182-V187 HydrophobicContact CB-CG2 3.91Å |
| 183 | T | 97.3 | Very high | 97.1 | Very high | 77 Ų | 77 | 65.2 Ų | 65.2 | 47% | 0.472 | 34% | 0.342 | S | S | . | . | | | trans | -67.9 | 153.1 | 176.8 | 74.1 | 0 | 0 | 0 | 0 | 111.3 | T185 Q186 V187 | T183-T185 PolarHBondContact O-N 3.47Å; T183-T185 VanDerWaalsContact O-N 3.1Å; T183-Q186 WeakPolarHBondContact O-CA 3.33Å; T183-Q186 WeakPolarHBondContact O-CB 3.34Å; T183-Q186 PolarHBondContact O-N 2.81Å; T183-Q186 WeakPolarHBondContact OG1-CG 3.31Å; T183-Q186 PolarHBondContact OG1-N 3.16Å; T183-V187 PolarHBondContact O-N 3.11Å |
| 184 | L | 97.1 | Very high | 96.9 | Very high | 85 Ų | 85 | 63.3 Ų | 63.3 | 45% | 0.445 | 34% | 0.336 | S | S | . | . | H | α-helix | trans | -52.7 | -36.2 | 177.3 | -163.2 | 76.9 | 0 | 0 | 0 | 112.1 | K173 I174 A177 S188 | K173-L184 HydrophobicContact CB-CD1 3.99Å; K173-L184 HydrophobicContact CD-CD1 3.81Å; K173-L184 HydrophobicContact CD-CG 3.93Å; K173-L184 HydrophobicContact CG-CD1 3.69Å; K173-L184 HydrophobicContact CG-CG 4.32Å; K173-L184 WeakPolarHBondContact O-CD1 3.5Å; I174-L184 HydrophobicContact CG1-CD1 3.9Å; A177-L184 HydrophobicContact CB-CD1 4.47Å; L184-S188 VanDerWaalsContact O-CB 3.27Å; L184-S188 WeakPolarHBondContact O-CB 3.46Å; L184-S188 PolarHBondContact O-N 3.43Å |
| 185 | T | 97 | Very high | 96.8 | Very high | 101 Ų | 101 | 62 Ų | 62 | 62% | 0.62 | 33% | 0.326 | S | S | * | . | H | α-helix | trans | -66.3 | -44.2 | 175 | -49.6 | 0 | 0 | 0 | 0 | 112.1 | T183 S188 T189 | T183-T185 PolarHBondContact O-N 3.47Å; T183-T185 VanDerWaalsContact O-N 3.1Å; T185-S188 PolarHBondContact O-N 3.4Å; T185-T189 VanDerWaalsContact O-CB 3.3Å; T185-T189 WeakPolarHBondContact O-CB 3.27Å; T185-T189 PolarHBondContact O-N 2.96Å; T185-T189 PolarHBondContact O-OG1 2.92Å |
| 186 | Q | 97.1 | Very high | 96.6 | Very high | 97 Ų | 97 | 64.8 Ų | 64.8 | 45% | 0.453 | 33% | 0.33 | S | S | . | . | H | α-helix | trans | -62.7 | -46.4 | 175.8 | -72.9 | 169.3 | -20.7 | 0 | 0 | 111.3 | M182 T183 T189 W190 | M182-Q186 HydrophobicContact CB-CB 4.19Å; M182-Q186 HydrophobicContact CE-CB 3.79Å; T183-Q186 WeakPolarHBondContact O-CA 3.33Å; T183-Q186 WeakPolarHBondContact O-CB 3.34Å; T183-Q186 PolarHBondContact O-N 2.81Å; T183-Q186 WeakPolarHBondContact OG1-CG 3.31Å; T183-Q186 PolarHBondContact OG1-N 3.16Å; Q186-T189 PolarHBondContact O-N 3.09Å; Q186-W190 WeakPolarHBondContact O-CB 3.38Å; Q186-W190 PolarHBondContact O-N 2.86Å |
| 187 | V | 97.3 | Very high | 96.3 | Very high | 0 Ų | 0 | 72.3 Ų | 72.3 | 0% | 0 | 36% | 0.358 | C | S | . | . | H | α-helix | trans | -60.6 | -47.4 | 175.4 | 178.1 | 0 | 0 | 0 | 0 | 110.9 | L155 K173 L176 A177 M182 T183 T189 W190 F191 | L155-V187 HydrophobicContact CD2-CG1 4.19Å; K173-V187 HydrophobicContact CG-CB 4.38Å; K173-V187 HydrophobicContact CG-CG1 3.86Å; L176-V187 HydrophobicContact CB-CG1 4.24Å; A177-V187 HydrophobicContact CB-CG2 4.06Å; M182-V187 HydrophobicContact CB-CG2 3.91Å; T183-V187 PolarHBondContact O-N 3.11Å; V187-T189 VanDerWaalsContact C-N 3.29Å; V187-T189 PolarHBondContact O-N 2.86Å; V187-W190 PolarHBondContact O-N 3.3Å; V187-F191 HydrophobicContact CG1-CD2 3.83Å; V187-F191 HydrophobicContact CG1-CE2 3.79Å; V187-F191 WeakPolarHBondContact O-CD2 3.25Å; V187-F191 PolarHBondContact O-N 3.19Å |
| 188 | S | 97.4 | Very high | 95.9 | Very high | 44 Ų | 44 | 72.1 Ų | 72.1 | 31% | 0.308 | 36% | 0.355 | S | S | . | . | H | α-helix | trans | -60.7 | -38.2 | 177.8 | -155.6 | 0 | 0 | 0 | 0 | 112.4 | K173 L184 T185 A192 | K173-S188 PolarHBondContact NZ-OG 3.27Å; L184-S188 VanDerWaalsContact O-CB 3.27Å; L184-S188 WeakPolarHBondContact O-CB 3.46Å; L184-S188 PolarHBondContact O-N 3.43Å; T185-S188 PolarHBondContact O-N 3.4Å; S188-A192 WeakPolarHBondContact O-CB 3.28Å; S188-A192 PolarHBondContact O-N 3.23Å |
| 189 | T | 97.3 | Very high | 95.2 | Very high | 87 Ų | 87 | 73.8 Ų | 73.8 | 53% | 0.534 | 36% | 0.357 | S | S | . | . | H | α-helix | trans | -70.4 | -40.8 | 177.4 | -58.4 | 0 | 0 | 0 | 0 | 111.5 | T185 Q186 V187 A192 N193 | T185-T189 VanDerWaalsContact O-CB 3.3Å; T185-T189 WeakPolarHBondContact O-CB 3.27Å; T185-T189 PolarHBondContact O-N 2.96Å; T185-T189 PolarHBondContact O-OG1 2.92Å; Q186-T189 PolarHBondContact O-N 3.09Å; V187-T189 VanDerWaalsContact C-N 3.29Å; V187-T189 PolarHBondContact O-N 2.86Å; T189-A192 PolarHBondContact O-N 2.85Å; T189-N193 PolarHBondContact O-N 2.89Å |
| 190 | W | 97.1 | Very high | 94.5 | Very high | 58 Ų | 58 | 78.7 Ų | 78.7 | 22% | 0.22 | 38% | 0.375 | C | S | . | . | H | α-helix | trans | -59.9 | -49.3 | 176.1 | -169.2 | 99.3 | 0 | 0 | 0 | 110.9 | L155 K156 L159 Q186 V187 A192 N193 A194 | L155-W190 HydrophobicContact CB-CD2 4.04Å; L155-W190 HydrophobicContact CB-CE3 3.81Å; L155-W190 HydrophobicContact CB-CH2 3.63Å; L155-W190 HydrophobicContact CB-CZ2 3.84Å; L155-W190 HydrophobicContact CB-CZ3 3.62Å; L155-W190 HydrophobicContact CD1-CB 4.32Å; L155-W190 HydrophobicContact CD1-CD2 3.67Å; L155-W190 HydrophobicContact CD1-CE3 4.11Å; L155-W190 HydrophobicContact CD1-CG 3.75Å; L155-W190 HydrophobicContact CG-CD2 4.46Å; L155-W190 HydrophobicContact CG-CE3 4.48Å; K156-W190 HydrophobicContact CG-CH2 4.06Å; K156-W190 HydrophobicContact CG-CZ2 4.09Å; L159-W190 HydrophobicContact CD2-CH2 4Å; L159-W190 HydrophobicContact CD2-CZ3 4.01Å; Q186-W190 WeakPolarHBondContact O-CB 3.38Å; Q186-W190 PolarHBondContact O-N 2.86Å; V187-W190 PolarHBondContact O-N 3.3Å; W190-A192 PolarHBondContact O-N 3.11Å; W190-N193 WeakPolarHBondContact O-CB 3.37Å; W190-N193 PolarHBondContact O-N 3.12Å; W190-N193 VanDerWaalsContact O-N 3.14Å; W190-A194 HydrophobicContact CE3-CB 4.01Å; W190-A194 HydrophobicContact CH2-CB 4.23Å; W190-A194 HydrophobicContact CZ3-CB 3.8Å; W190-A194 WeakPolarHBondContact O-CB 3.43Å; W190-A194 PolarHBondContact O-N 3.47Å |
| 191 | F | 97.2 | Very high | 93.5 | Very high | 2 Ų | 2 | 82.9 Ų | 82.9 | 1% | 0.009 | 40% | 0.395 | C | S | . | . | H | α-helix | trans | -64.4 | -37 | 176.2 | -82.1 | -70.3 | 0 | 0 | 0 | 113.3 | L155 W158 L159 P168 L176 V187 N193 A194 R195 | L155-F191 HydrophobicContact CD2-CE2 3.94Å; L155-F191 HydrophobicContact CD2-CZ 4.32Å; W158-F191 HydrophobicContact CD2-CE1 4.47Å; W158-F191 HydrophobicContact CD2-CZ 4.19Å; W158-F191 HydrophobicContact CE3-CD1 4.39Å; W158-F191 AromaticContact CE3-CE1 3.35Å; W158-F191 HydrophobicContact CE3-CE1 3.35Å; W158-F191 AromaticContact CE3-CZ 3.46Å; W158-F191 HydrophobicContact CE3-CZ 3.46Å; W158-F191 VanDerWaalsContact CE3-CZ 3.46Å; W158-F191 HydrophobicContact CZ3-CD1 4.22Å; W158-F191 AromaticContact CZ3-CE1 3.58Å; W158-F191 HydrophobicContact CZ3-CE1 3.58Å; W158-F191 HydrophobicContact CZ3-CZ 4.01Å; L159-F191 HydrophobicContact CB-CE1 4.21Å; L159-F191 HydrophobicContact CD1-CD1 4.36Å; L159-F191 HydrophobicContact CD1-CE1 4.22Å; P168-F191 HydrophobicContact CG-CD1 4.44Å; P168-F191 HydrophobicContact CG-CD2 3.81Å; P168-F191 HydrophobicContact CG-CE2 3.98Å; P168-F191 HydrophobicContact CG-CG 4.06Å; P168-F191 HydrophobicContact CG-CZ 4.4Å; L176-F191 HydrophobicContact CD1-CE2 3.74Å; L176-F191 HydrophobicContact CD1-CZ 3.87Å; V187-F191 HydrophobicContact CG1-CD2 3.83Å; V187-F191 HydrophobicContact CG1-CE2 3.79Å; V187-F191 WeakPolarHBondContact O-CD2 3.25Å; V187-F191 PolarHBondContact O-N 3.19Å; F191-N193 VanDerWaalsContact C-N 3.3Å; F191-N193 PolarHBondContact O-N 3.2Å; F191-A194 PolarHBondContact O-N 3.34Å; F191-R195 WeakPolarHBondContact O-CB 3.3Å; F191-R195 WeakPolarHBondContact O-CG 3.39Å; F191-R195 PolarHBondContact O-N 2.9Å |
| 192 | A | 96.4 | Very high | 92.1 | Very high | 26 Ų | 26 | 79.9 Ų | 79.9 | 22% | 0.215 | 39% | 0.388 | C | S | . | . | H | α-helix | trans | -65.2 | -32.1 | 173.7 | 0 | 0 | 0 | 0 | 0 | 112.7 | S188 T189 W190 R196 | S188-A192 WeakPolarHBondContact O-CB 3.28Å; S188-A192 PolarHBondContact O-N 3.23Å; T189-A192 PolarHBondContact O-N 2.85Å; W190-A192 PolarHBondContact O-N 3.11Å; A192-R196 WeakPolarHBondContact O-CD 3.16Å; A192-R196 VanDerWaalsContact O-CG 3.27Å; A192-R196 WeakPolarHBondContact O-CG 3.5Å; A192-R196 PolarHBondContact O-NH1 2.73Å; A192-R196 VanDerWaalsContact O-NH1 3.16Å |
| 193 | N | 96.3 | Very high | 90.6 | Very high | 84 Ų | 84 | 85 Ų | 85 | 45% | 0.449 | 41% | 0.409 | S | S | . | . | H | α-helix | trans | -73.7 | -49.6 | 172.2 | -169 | -71.6 | 0 | 0 | 0 | 111.1 | T189 W190 F191 R195 R196 R197 | T189-N193 PolarHBondContact O-N 2.89Å; W190-N193 WeakPolarHBondContact O-CB 3.37Å; W190-N193 PolarHBondContact O-N 3.12Å; W190-N193 VanDerWaalsContact O-N 3.14Å; F191-N193 VanDerWaalsContact C-N 3.3Å; F191-N193 PolarHBondContact O-N 3.2Å; N193-R195 PolarHBondContact O-N 3.34Å; N193-R196 WeakPolarHBondContact O-CB 3.29Å; N193-R196 PolarHBondContact O-N 3.28Å; N193-R196 VanDerWaalsContact O-N 3.09Å; N193-R197 PolarHBondContact O-N 2.96Å; N193-R197 VanDerWaalsContact OD1-CD 3.28Å; N193-R197 WeakPolarHBondContact OD1-CD 3.27Å |
| 194 | A | 95.1 | Very high | 89.2 | Confident | 12 Ų | 12 | 82.6 Ų | 82.6 | 10% | 0.099 | 39% | 0.393 | C | S | . | . | H | α-helix | trans | -58.7 | -45.3 | -178.3 | 0 | 0 | 0 | 0 | 0 | 112.6 | L159 W190 F191 R196 R197 L198 | L159-A194 HydrophobicContact CD2-CB 3.79Å; W190-A194 HydrophobicContact CE3-CB 4.01Å; W190-A194 HydrophobicContact CH2-CB 4.23Å; W190-A194 HydrophobicContact CZ3-CB 3.8Å; W190-A194 WeakPolarHBondContact O-CB 3.43Å; W190-A194 PolarHBondContact O-N 3.47Å; F191-A194 PolarHBondContact O-N 3.34Å; A194-R196 VanDerWaalsContact C-N 3.31Å; A194-R196 PolarHBondContact O-N 3.41Å; A194-R197 PolarHBondContact O-N 2.92Å; A194-L198 WeakPolarHBondContact O-CB 3.41Å; A194-L198 PolarHBondContact O-N 3.21Å |
| 195 | R | 95.2 | Very high | 87.4 | Confident | 53 Ų | 53 | 84.2 Ų | 84.2 | 20% | 0.2 | 41% | 0.407 | C | S | . | . | H | α-helix | trans | -60.2 | -36.7 | 175 | -74.5 | -164.1 | -64.5 | -91.1 | 2.5 | 113.3 | P166 Y167 F191 N193 K199 | P166-R195 HydrophobicContact CB-CG 4.04Å; P166-R195 HydrophobicContact CG-CG 3.81Å; P166-R195 VanDerWaalsContact O-CD 3.32Å; P166-R195 WeakPolarHBondContact O-CD 3.27Å; P166-R195 PolarHBondContact O-NH1 3.1Å; Y167-R195 VanDerWaalsContact CE2-CD 3.4Å; F191-R195 WeakPolarHBondContact O-CB 3.3Å; F191-R195 WeakPolarHBondContact O-CG 3.39Å; F191-R195 PolarHBondContact O-N 2.9Å; N193-R195 PolarHBondContact O-N 3.34Å; R195-K199 PolarHBondContact O-N 3.48Å |
| 196 | R | 93.9 | Very high | 85.5 | Confident | 174 Ų | 174 | 84.3 Ų | 84.3 | 66% | 0.657 | 40% | 0.396 | S | S | * | . | H | α-helix | trans | -67.7 | -40.5 | 176.3 | -70 | 172.5 | -172.6 | 126 | -11.4 | 111.5 | A192 N193 A194 K200 | A192-R196 WeakPolarHBondContact O-CD 3.16Å; A192-R196 VanDerWaalsContact O-CG 3.27Å; A192-R196 WeakPolarHBondContact O-CG 3.5Å; A192-R196 PolarHBondContact O-NH1 2.73Å; A192-R196 VanDerWaalsContact O-NH1 3.16Å; N193-R196 WeakPolarHBondContact O-CB 3.29Å; N193-R196 PolarHBondContact O-N 3.28Å; N193-R196 VanDerWaalsContact O-N 3.09Å; A194-R196 VanDerWaalsContact C-N 3.31Å; A194-R196 PolarHBondContact O-N 3.41Å; R196-K200 PolarHBondContact O-N 2.61Å |
| 197 | R | 92.1 | Very high | 83.2 | Confident | 167 Ų | 167 | 84.5 Ų | 84.5 | 63% | 0.63 | 41% | 0.406 | S | S | * | . | H | α-helix | trans | -62.5 | -50.6 | 174.8 | -65.3 | 178 | 75.5 | 150.9 | 5.3 | 110.5 | N193 A194 K199 K200 E201 | N193-R197 PolarHBondContact O-N 2.96Å; N193-R197 VanDerWaalsContact OD1-CD 3.28Å; N193-R197 WeakPolarHBondContact OD1-CD 3.27Å; A194-R197 PolarHBondContact O-N 2.92Å; R197-K199 VanDerWaalsContact C-N 3.28Å; R197-K199 PolarHBondContact O-N 2.99Å; R197-K200 WeakPolarHBondContact O-CA 3.47Å; R197-K200 PolarHBondContact O-N 3.18Å; R197-E201 VanDerWaalsContact C-OE1 3.26Å; R197-E201 VanDerWaalsContact O-CG 3.3Å; R197-E201 WeakPolarHBondContact O-CG 3.37Å; R197-E201 PolarHBondContact O-N 2.97Å |
| 198 | L | 87.4 | Confident | 80.9 | Confident | 8 Ų | 8 | 89.5 Ų | 89.5 | 4% | 0.042 | 44% | 0.438 | C | S | . | . | H | α-helix | trans | -58.6 | -36.3 | 179.7 | -152.4 | 78.2 | 0 | 0 | 0 | 112.8 | A194 E201 K203 M204 | A194-L198 WeakPolarHBondContact O-CB 3.41Å; A194-L198 PolarHBondContact O-N 3.21Å; L198-E201 WeakPolarHBondContact CA-OE1 3.26Å; L198-E201 PolarHBondContact N-OE1 3.4Å; L198-K203 HydrophobicContact CD1-CB 3.96Å; L198-K203 HydrophobicContact CG-CB 4.36Å; L198-M204 HydrophobicContact CB-CB 4.39Å; L198-M204 HydrophobicContact CD2-CB 3.92Å; L198-M204 HydrophobicContact CD2-CG 4.1Å; L198-M204 HydrophobicContact CD2-SD 3.79Å; L198-M204 HydrophobicContact CG-CB 3.91Å; L198-M204 PolarHBondContact O-N 3.21Å |
| 199 | K | 83.4 | Confident | 79 | Confident | 157 Ų | 157 | 99.6 Ų | 99.6 | 68% | 0.683 | 47% | 0.469 | S | S | * | . | H | α-helix | trans | -69.3 | -40.4 | 171.6 | -174.4 | 178 | 179.2 | -179.7 | 0 | 112.7 | R195 R197 | R195-K199 PolarHBondContact O-N 3.48Å; R197-K199 VanDerWaalsContact C-N 3.28Å; R197-K199 PolarHBondContact O-N 2.99Å |
| 200 | K | 82.4 | Confident | 76.8 | Confident | 197 Ų | 197 | 101.7 Ų | 101.7 | 86% | 0.857 | 48% | 0.477 | S | S | * | . | H | α-helix | trans | -69.8 | -36.4 | -179.7 | -177.1 | 174.2 | 178.7 | 178.3 | 0 | 112.5 | R196 R197 N202 | R196-K200 PolarHBondContact O-N 2.61Å; R197-K200 WeakPolarHBondContact O-CA 3.47Å; R197-K200 PolarHBondContact O-N 3.18Å; K200-N202 VanDerWaalsContact C-N 3.28Å; K200-N202 PolarHBondContact O-N 3.15Å |
| 201 | E | 75.6 | Confident | 74.1 | Confident | 92 Ų | 92 | 107.5 Ų | 107.5 | 43% | 0.43 | 50% | 0.504 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -88.1 | 15.2 | -175 | 70.9 | -167.7 | 124 | 0 | 0 | 114.4 | R197 L198 K203 | R197-E201 VanDerWaalsContact C-OE1 3.26Å; R197-E201 VanDerWaalsContact O-CG 3.3Å; R197-E201 WeakPolarHBondContact O-CG 3.37Å; R197-E201 PolarHBondContact O-N 2.97Å; L198-E201 WeakPolarHBondContact CA-OE1 3.26Å; L198-E201 PolarHBondContact N-OE1 3.4Å; E201-K203 HydrophobicContact CG-CB 3.95Å; E201-K203 HydrophobicContact CG-CD 3.87Å; E201-K203 HydrophobicContact CG-CG 3.84Å; E201-K203 PolarHBondContact O-N 3.43Å; E201-K203 WeakPolarHBondContact OE2-CD 3.46Å; E201-K203 WeakPolarHBondContact OE2-CE 3.3Å |
| 202 | N | 66 | Low | 71.3 | Confident | 132 Ų | 132 | 114.2 Ų | 114.2 | 71% | 0.706 | 55% | 0.55 | S | S | * | . | S | Bend | trans | 57.3 | -5.1 | -177.6 | -164 | -102 | 0 | 0 | 0 | 116.5 | K200 M204 | K200-N202 VanDerWaalsContact C-N 3.28Å; K200-N202 PolarHBondContact O-N 3.15Å; N202-M204 PolarHBondContact O-N 2.97Å |
| 203 | K | 65.1 | Low | 68.9 | Low | 131 Ų | 131 | 116.4 Ų | 116.4 | 57% | 0.57 | 57% | 0.568 | S | S | * | * | | | trans | -66.3 | 19.4 | 172.8 | -59.4 | 178 | -153.5 | -53.8 | 0 | 114.3 | L198 E201 | L198-K203 HydrophobicContact CD1-CB 3.96Å; L198-K203 HydrophobicContact CG-CB 4.36Å; E201-K203 HydrophobicContact CG-CB 3.95Å; E201-K203 HydrophobicContact CG-CD 3.87Å; E201-K203 HydrophobicContact CG-CG 3.84Å; E201-K203 PolarHBondContact O-N 3.43Å; E201-K203 WeakPolarHBondContact OE2-CD 3.46Å; E201-K203 WeakPolarHBondContact OE2-CE 3.3Å |
| 204 | M | 67.1 | Low | 66.3 | Low | 27 Ų | 27 | 118.2 Ų | 118.2 | 13% | 0.133 | 58% | 0.577 | C | S | . | * | | | trans | -146.8 | 83.7 | 174.9 | -163.6 | 62.1 | -156.3 | 0 | 0 | 111.1 | R163 L198 N202 W206 | R163-M204 WeakPolarHBondContact O-CE 3.36Å; L198-M204 HydrophobicContact CB-CB 4.39Å; L198-M204 HydrophobicContact CD2-CB 3.92Å; L198-M204 HydrophobicContact CD2-CG 4.1Å; L198-M204 HydrophobicContact CD2-SD 3.79Å; L198-M204 HydrophobicContact CG-CB 3.91Å; L198-M204 PolarHBondContact O-N 3.21Å; N202-M204 PolarHBondContact O-N 2.97Å; M204-W206 HydrophobicContact CE-CD2 3.59Å; M204-W206 VanDerWaalsContact CE-CE2 3.49Å; M204-W206 HydrophobicContact CE-CE3 3.79Å; M204-W206 HydrophobicContact CE-CG 4.22Å; M204-W206 HydrophobicContact CE-CH2 3.9Å; M204-W206 HydrophobicContact CE-CZ2 3.67Å; M204-W206 HydrophobicContact CE-CZ3 3.93Å; M204-W206 HydrophobicContact CG-CD2 4.17Å; M204-W206 HydrophobicContact CG-CG 3.99Å; M204-W206 PolarHBondContact O-N 3.29Å |
| 205 | T | 59.1 | Low | 64.1 | Low | 119 Ų | 119 | 127 Ų | 127 | 73% | 0.73 | 62% | 0.617 | S | S | * | * | | | trans | -69.5 | 73.8 | 166.3 | -45.9 | 0 | 0 | 0 | 0 | 109.7 | P207 | T205-P207 WeakPolarHBondContact O-CD 3.36Š|
| 206 | W | 56.3 | Low | 61.7 | Low | 103 Ų | 103 | 132.3 Ų | 132.3 | 39% | 0.39 | 64% | 0.641 | S | S | . | * | P | Polyproline II helix | trans | -66 | 117 | 156.4 | -68.6 | 114.6 | 0 | 0 | 0 | 107.2 | K164 P166 Y167 M204 | K164-W206 WeakPolarHBondContact O-CH2 3.46Å; K164-W206 VanDerWaalsContact O-CZ3 3.32Å; K164-W206 WeakPolarHBondContact O-CZ3 3.32Å; P166-W206 HydrophobicContact CG-CZ2 4.06Å; Y167-W206 HydrophobicContact CE2-CH2 4.21Å; Y167-W206 AromaticContact CE2-CZ2 3.96Å; Y167-W206 HydrophobicContact CE2-CZ2 3.96Å; M204-W206 HydrophobicContact CE-CD2 3.59Å; M204-W206 VanDerWaalsContact CE-CE2 3.49Å; M204-W206 HydrophobicContact CE-CE3 3.79Å; M204-W206 HydrophobicContact CE-CG 4.22Å; M204-W206 HydrophobicContact CE-CH2 3.9Å; M204-W206 HydrophobicContact CE-CZ2 3.67Å; M204-W206 HydrophobicContact CE-CZ3 3.93Å; M204-W206 HydrophobicContact CG-CD2 4.17Å; M204-W206 HydrophobicContact CG-CG 3.99Å; M204-W206 PolarHBondContact O-N 3.29Å |
| 207 | P | 50.3 | Low | 59 | Low | 102 Ų | 102 | 134.6 Ų | 134.6 | 66% | 0.662 | 65% | 0.65 | S | S | * | * | P | Polyproline II helix | trans | -60.2 | 133.3 | 171.6 | 25.5 | -32.9 | 0 | 0 | 0 | 108.9 | T205 R209 | T205-P207 WeakPolarHBondContact O-CD 3.36Å; P207-R209 PolarHBondContact O-N 3.24Å; P207-R209 VanDerWaalsContact O-N 3.09Å |
| 208 | P | 48.4 | Very low | 56.6 | Low | 105 Ų | 105 | 132.4 Ų | 132.4 | 68% | 0.682 | 66% | 0.657 | S | S | * | * | P | Polyproline II helix | trans | -56.2 | 117.2 | 170.3 | -23.8 | 34.4 | 0 | 0 | 0 | 109.3 | N210 | P208-N210 WeakPolarHBondContact CB-OD1 3.36Å; P208-N210 PolarHBondContact O-N 3.5Å |
| 209 | R | 57.8 | Low | 54.3 | Low | 255 Ų | 255 | 141.6 Ų | 141.6 | 96% | 0.962 | 69% | 0.693 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -77.5 | 52.7 | -176.1 | -166.2 | -171.1 | 162.3 | 156.6 | -1.8 | 111.4 | P207 | P207-R209 PolarHBondContact O-N 3.24Å; P207-R209 VanDerWaalsContact O-N 3.09Å |
| 210 | N | 50.3 | Low | 52.1 | Low | 131 Ų | 131 | 140.2 Ų | 140.2 | 70% | 0.701 | 70% | 0.698 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -160.4 | 30.7 | -177.5 | 52.7 | -15.6 | 0 | 0 | 0 | 112.7 | P208 | P208-N210 WeakPolarHBondContact CB-OD1 3.36Å; P208-N210 PolarHBondContact O-N 3.5Å |
| 211 | K | 40.9 | Very low | 50 | Low | 181 Ų | 181 | 139.1 Ų | 139.1 | 79% | 0.787 | 70% | 0.695 | S | S | * | * | | | trans | -150.4 | 92.4 | 152.5 | -133.2 | 84 | 171.6 | -175.6 | 0 | 110.9 | A213 | K211-A213 HydrophobicContact CB-CB 4.49Å; K211-A213 HydrophobicContact CG-CB 3.69Å; K211-A213 PolarHBondContact O-N 3.39Å |
| 212 | C | 37.9 | Very low | 48.2 | Very low | 143 Ų | 143 | 138.1 Ų | 138.1 | 97% | 0.966 | 71% | 0.71 | S | S | * | * | | | trans | -84 | 81.4 | 149.7 | -165.6 | 0 | 0 | 0 | 0 | 104.9 | | |
| 213 | A | 45.4 | Very low | 47.1 | Very low | 71 Ų | 71 | 141.2 Ų | 141.2 | 59% | 0.587 | 72% | 0.72 | S | S | * | * | | | trans | -92.2 | 101.8 | 177.2 | 0 | 0 | 0 | 0 | 0 | 108.2 | K211 | K211-A213 HydrophobicContact CB-CB 4.49Å; K211-A213 HydrophobicContact CG-CB 3.69Å; K211-A213 PolarHBondContact O-N 3.39Å |
| 214 | D | 43.5 | Very low | 45.8 | Very low | 122 Ų | 122 | 143.9 Ų | 143.9 | 65% | 0.652 | 74% | 0.735 | S | S | * | * | | | trans | 48.5 | 76.7 | 145.6 | -150.5 | -170.8 | 0 | 0 | 0 | 115.2 | K216 | D214-K216 PolarHBondContact O-N 3.05Å; D214-K216 WeakPolarHBondContact OD2-CB 3.4Å |
| 215 | E | 49 | Very low | 44.4 | Very low | 198 Ų | 198 | 151.6 Ų | 151.6 | 93% | 0.925 | 77% | 0.77 | S | S | * | * | | | trans | -71.5 | 61.4 | 157.8 | -164.4 | 177.4 | 129.5 | 0 | 0 | 108.7 | R217 | E215-R217 PolarHBondContact O-N 3.34Š|
| 216 | K | 44.1 | Very low | 43.4 | Very low | 164 Ų | 164 | 154.7 Ų | 154.7 | 71% | 0.713 | 78% | 0.776 | S | S | * | * | | | trans | -69.9 | 105.2 | 179.5 | -151.8 | 175 | -177.5 | -177 | 0 | 107.3 | D214 | D214-K216 PolarHBondContact O-N 3.05Å; D214-K216 WeakPolarHBondContact OD2-CB 3.4Å |
| 217 | R | 37.5 | Very low | 42.2 | Very low | 222 Ų | 222 | 153.3 Ų | 153.3 | 84% | 0.838 | 80% | 0.795 | S | S | * | * | | | trans | -45.3 | 129.5 | 166.4 | -65.1 | 174.5 | 178.2 | 169.8 | -2.9 | 108.1 | E215 Y219 | E215-R217 PolarHBondContact O-N 3.34Å; R217-Y219 PolarHBondContact O-N 3.39Å |
| 218 | P | 41.5 | Very low | 41.4 | Very low | 121 Ų | 121 | 151.7 Ų | 151.7 | 79% | 0.786 | 80% | 0.796 | S | S | * | * | | | trans | -55.9 | 109.4 | 159.1 | -20.6 | 33.1 | 0 | 0 | 0 | 106.8 | T220 | P218-T220 PolarHBondContact O-N 3.34Š|
| 219 | Y | 38.2 | Very low | 40.7 | Very low | 200 Ų | 200 | 156 Ų | 156 | 78% | 0.784 | 81% | 0.807 | S | S | * | * | | | trans | -72.7 | 109.6 | 167.5 | -170.7 | -96.3 | 0 | 0 | 0 | 104.8 | R217 E221 | R217-Y219 PolarHBondContact O-N 3.39Å; Y219-E221 VanDerWaalsContact C-N 3.28Å; Y219-E221 HydrophobicContact CD1-CG 4.01Å; Y219-E221 HydrophobicContact CE1-CG 4.42Å; Y219-E221 PolarHBondContact O-N 3.37Å |
| 220 | T | 38.3 | Very low | 39.6 | Very low | 129 Ų | 129 | 152.8 Ų | 152.8 | 79% | 0.791 | 80% | 0.803 | S | S | * | * | | | trans | -67.9 | 94.2 | 170.7 | 45.2 | 0 | 0 | 0 | 0 | 107.4 | P218 | P218-T220 PolarHBondContact O-N 3.34Š|
| 221 | E | 38.6 | Very low | 39 | Very low | 173 Ų | 173 | 154 Ų | 154 | 81% | 0.808 | 81% | 0.805 | S | S | * | * | | | trans | -56.8 | 139.6 | 156.8 | -68.5 | 178.9 | 130.1 | 0 | 0 | 107.8 | Y219 | Y219-E221 VanDerWaalsContact C-N 3.28Å; Y219-E221 HydrophobicContact CD1-CG 4.01Å; Y219-E221 HydrophobicContact CE1-CG 4.42Å; Y219-E221 PolarHBondContact O-N 3.37Å |
| 222 | G | 37.9 | Very low | 38.6 | Very low | 71 Ų | 71 | 149.2 Ų | 149.2 | 73% | 0.732 | 80% | 0.799 | S | S | * | * | | | trans | -87.4 | 143.4 | 177.8 | 0 | 0 | 0 | 0 | 0 | 110.6 | | |
| 223 | E | 41 | Very low | 38.5 | Very low | 197 Ų | 197 | 151.4 Ų | 151.4 | 92% | 0.921 | 79% | 0.787 | S | S | * | * | | | trans | -115.8 | 160.2 | 154.8 | -66.5 | -176.1 | 153.8 | 0 | 0 | 107.3 | | |
| 224 | E | 37.8 | Very low | 37.9 | Very low | 187 Ų | 187 | 155.3 Ų | 155.3 | 87% | 0.874 | 79% | 0.793 | S | S | * | * | | | trans | -100.8 | -165.7 | -151.4 | -56.5 | 179 | 133.1 | 0 | 0 | 113.7 | | |
| 225 | E | 39.3 | Very low | 37.5 | Very low | 189 Ų | 189 | 157.4 Ų | 157.4 | 88% | 0.883 | 80% | 0.799 | S | S | * | * | | | trans | 71.1 | 144.8 | 174.3 | -65.8 | -175.8 | 157.5 | 0 | 0 | 116.9 | | |
| 226 | E | 38.1 | Very low | 37.4 | Very low | 184 Ų | 184 | 152.6 Ų | 152.6 | 86% | 0.86 | 78% | 0.784 | S | S | * | * | | | cis | -160.3 | 150.5 | -11.1 | 168 | -179.6 | -147.6 | 0 | 0 | 109.9 | | |
| 227 | G | 31.2 | Very low | 37 | Very low | 75 Ų | 75 | 150.6 Ų | 150.6 | 77% | 0.773 | 78% | 0.781 | S | S | * | * | | | trans | 98.5 | 148.8 | 144.8 | 0 | 0 | 0 | 0 | 0 | 120.1 | | |
| 228 | G | 32.3 | Very low | 36.8 | Very low | 67 Ų | 67 | 148.1 Ų | 148.1 | 69% | 0.691 | 78% | 0.776 | S | S | * | * | | | trans | 80.7 | 87.9 | 167 | 0 | 0 | 0 | 0 | 0 | 115.5 | | |
| 229 | E | 33.7 | Very low | 36.2 | Very low | 196 Ų | 196 | 148.7 Ų | 148.7 | 92% | 0.916 | 77% | 0.773 | S | S | * | * | | | | 103.8 | -179.4 | 60.7 | 80.6 | -172.3 | 143.9 | 0 | 0 | 112.9 | | |
| 230 | E | 35.7 | Very low | 35.8 | Very low | 187 Ų | 187 | 143.6 Ų | 143.6 | 87% | 0.874 | 77% | 0.766 | S | S | * | * | | | trans | -66.8 | 168 | -163.1 | -61 | -172.9 | 138.1 | 0 | 0 | 113.9 | | |
| 231 | E | 36.1 | Very low | 35.6 | Very low | 158 Ų | 158 | 145.4 Ų | 145.4 | 74% | 0.738 | 76% | 0.763 | S | S | * | * | | | cis | -152 | 169.9 | 34.3 | -156.2 | -165.7 | 134.6 | 0 | 0 | 112.5 | R233 | E231-R233 IonicContact OE1-NH1 3.35Å; E231-R233 PolarHBondContact OE1-NH1 2.96Å |
| 232 | A | 33.5 | Very low | 35.2 | Very low | 80 Ų | 80 | 143.5 Ų | 143.5 | 66% | 0.661 | 76% | 0.759 | S | S | * | * | | | trans | -73.1 | 163.4 | -179.3 | 0 | 0 | 0 | 0 | 0 | 114.3 | | |
| 233 | R | 35.5 | Very low | 34.9 | Very low | 188 Ų | 188 | 144.6 Ų | 144.6 | 71% | 0.709 | 76% | 0.761 | S | S | * | * | | | | -171.7 | 129.2 | 111.3 | -101.6 | -175.8 | 168.8 | 88.1 | 4.6 | 116 | E231 | E231-R233 IonicContact OE1-NH1 3.35Å; E231-R233 PolarHBondContact OE1-NH1 2.96Å |
| 234 | E | 32.3 | Very low | 34.5 | Very low | 154 Ų | 154 | 143.2 Ų | 143.2 | 72% | 0.72 | 75% | 0.754 | S | S | * | * | | | trans | 60.1 | 84.1 | 133.7 | -64 | 168.4 | -136.8 | 0 | 0 | 120.2 | | |
| 235 | E | 36.8 | Very low | 35 | Very low | 166 Ų | 166 | 139.4 Ų | 139.4 | 78% | 0.776 | 75% | 0.746 | S | S | * | * | | | | -40 | 151.3 | 117.5 | -93.1 | -98.6 | 167.3 | 0 | 0 | 110 | | |
| 236 | P | 45 | Very low | 34.7 | Very low | 96 Ų | 96 | 136.6 Ų | 136.6 | 62% | 0.623 | 74% | 0.741 | S | S | * | * | | | | -165.2 | 176.8 | 58.2 | 43.2 | -19.7 | 0 | 0 | 0 | 120.7 | | |
| 237 | L | 37.4 | Very low | 34.3 | Very low | 123 Ų | 123 | 130.9 Ų | 130.9 | 64% | 0.644 | 73% | 0.732 | S | S | * | * | | | trans | 74 | 163.7 | 153.4 | -51.4 | -163.7 | 0 | 0 | 0 | 118.6 | | |
| 238 | K | 32.8 | Very low | 34.5 | Very low | 169 Ų | 169 | 135.3 Ų | 135.3 | 74% | 0.735 | 73% | 0.73 | S | S | * | * | | | cis | -172.9 | 173.7 | -20.7 | -100.7 | -171.6 | -178.7 | 112.9 | 0 | 106.9 | | |
| 239 | N | 28.1 | Very low | 34.6 | Very low | 133 Ų | 133 | 138.5 Ų | 138.5 | 71% | 0.711 | 73% | 0.727 | S | S | * | * | | | cis | -178.2 | -178.6 | -19.5 | -179.7 | 30.1 | 0 | 0 | 0 | 107.6 | | |
| 240 | S | 30.7 | Very low | 34.7 | Very low | 93 Ų | 93 | 136.3 Ų | 136.3 | 65% | 0.65 | 72% | 0.717 | S | S | * | * | | | trans | 80.6 | 147.2 | 154.4 | -71.6 | 0 | 0 | 0 | 0 | 119.4 | | |
| 241 | K | 34.6 | Very low | 34.9 | Very low | 168 Ų | 168 | 136.3 Ų | 136.3 | 73% | 0.73 | 71% | 0.714 | S | S | * | * | | | cis | -171.7 | 159.4 | -22.5 | -162.8 | -175.2 | 167.1 | -179.1 | 0 | 109.4 | | |
| 242 | N | 28.6 | Very low | 35 | Very low | 133 Ų | 133 | 136.9 Ų | 136.9 | 71% | 0.711 | 72% | 0.716 | S | S | * | * | | | trans | 82.7 | 144.1 | 163.9 | -49.6 | -55.9 | 0 | 0 | 0 | 115.1 | | |
| 243 | A | 32.5 | Very low | 35.2 | Very low | 94 Ų | 94 | 139.9 Ų | 139.9 | 78% | 0.777 | 72% | 0.721 | S | S | * | * | | | cis | -151.9 | 138.8 | -2.8 | 0 | 0 | 0 | 0 | 0 | 113.6 | | |
| 244 | E | 33 | Very low | 35.1 | Very low | 167 Ų | 167 | 138.2 Ų | 138.2 | 78% | 0.78 | 72% | 0.721 | S | S | * | * | | | trans | -66.4 | 166.9 | 150.3 | -84.7 | -70.4 | 118.3 | 0 | 0 | 110.2 | | |
| 245 | P | 47.6 | Very low | 35.1 | Very low | 108 Ų | 108 | 137.4 Ų | 137.4 | 70% | 0.701 | 72% | 0.721 | S | S | * | * | | | cis | -151.5 | -175.7 | 36 | 34.6 | -9 | 0 | 0 | 0 | 119.4 | | |
| 246 | V | 33.9 | Very low | 35 | Very low | 129 Ų | 129 | 134.8 Ų | 134.8 | 78% | 0.782 | 72% | 0.721 | S | S | * | * | | | trans | 85.9 | 121.7 | 157.8 | -166.3 | 0 | 0 | 0 | 0 | 116.6 | | |
| 247 | G | 29.4 | Very low | 34.6 | Very low | 65 Ų | 65 | 136.4 Ų | 136.4 | 67% | 0.67 | 72% | 0.724 | S | S | * | * | | | cis | 155 | -179.2 | -8.9 | 0 | 0 | 0 | 0 | 0 | 114.1 | | |
| 248 | K | 35.8 | Very low | 34.5 | Very low | 167 Ų | 167 | 138.5 Ų | 138.5 | 73% | 0.726 | 74% | 0.735 | S | S | * | * | | | trans | 71.1 | 150.5 | 168.5 | -71 | 166.8 | 148.6 | -81.2 | 0 | 117.9 | | |
| 249 | E | 33.3 | Very low | 34.8 | Very low | 135 Ų | 135 | 137.1 Ų | 137.1 | 63% | 0.631 | 74% | 0.736 | S | S | * | * | | | cis | -157.2 | 166.1 | -21.4 | 52.4 | -154.2 | 128 | 0 | 0 | 112.1 | | |
| 250 | E | 36.6 | Very low | 35.4 | Very low | 149 Ų | 149 | 136.8 Ų | 136.8 | 70% | 0.696 | 73% | 0.734 | S | S | * | * | | | trans | -78 | 156.8 | -163.4 | 60.7 | -105.8 | 84.5 | 0 | 0 | 118.5 | | |
| 251 | K | 38.9 | Very low | 35.4 | Very low | 187 Ų | 187 | 140.4 Ų | 140.4 | 81% | 0.813 | 74% | 0.738 | S | S | * | * | | | trans | 163.3 | 131.7 | 150 | -88.5 | 143 | -153.9 | 142.1 | 0 | 108.5 | | |
| 252 | E | 38.3 | Very low | 36 | Very low | 170 Ų | 170 | 140 Ų | 140 | 79% | 0.794 | 75% | 0.745 | S | S | * | * | | | cis | 72.9 | 137.5 | 26.3 | -155 | 176.3 | -173.2 | 0 | 0 | 115.1 | | |
| 253 | L | 37.5 | Very low | 37.1 | Very low | 144 Ų | 144 | 137.8 Ų | 137.8 | 75% | 0.754 | 74% | 0.737 | S | S | * | * | | | trans | 69 | 157.5 | -175.2 | -51.6 | 178.6 | 0 | 0 | 0 | 115.4 | | |
| 254 | E | 35 | Very low | 37.6 | Very low | 152 Ų | 152 | 140.4 Ų | 140.4 | 71% | 0.71 | 74% | 0.737 | S | S | * | * | | | cis | -172.4 | 154.3 | -47.7 | -121.9 | -172.1 | 163.5 | 0 | 0 | 107 | | |
| 255 | L | 30.8 | Very low | 37.8 | Very low | 137 Ų | 137 | 140.6 Ų | 140.6 | 72% | 0.717 | 74% | 0.738 | S | S | * | * | | | trans | 53.2 | 130.6 | 153.1 | -60.3 | 166.4 | 0 | 0 | 0 | 121.9 | | |
| 256 | S | 35.4 | Very low | 37.3 | Very low | 112 Ų | 112 | 139.8 Ų | 139.8 | 78% | 0.783 | 74% | 0.74 | S | S | * | * | | | trans | 68.3 | 158.8 | 142.6 | 77.5 | 0 | 0 | 0 | 0 | 118.4 | | |
| 257 | D | 36.2 | Very low | 37.3 | Very low | 130 Ų | 130 | 140.9 Ų | 140.9 | 70% | 0.695 | 74% | 0.742 | S | S | * | * | | | cis | -155.2 | 147.2 | -11.6 | -143.1 | -40.5 | 0 | 0 | 0 | 110.1 | | |
| 258 | L | 36.3 | Very low | 38.6 | Very low | 166 Ų | 166 | 142.6 Ų | 142.6 | 87% | 0.869 | 74% | 0.741 | S | S | * | * | | | trans | 174.8 | 120.1 | 133.8 | -107.2 | 163.8 | 0 | 0 | 0 | 113.2 | | |
| 259 | D | 38.1 | Very low | 39.2 | Very low | 141 Ų | 141 | 140.6 Ų | 140.6 | 75% | 0.754 | 75% | 0.746 | S | S | * | * | | | trans | -75.9 | -160.5 | 166.9 | -89.6 | -70.9 | 0 | 0 | 0 | 113.3 | | |
| 260 | D | 41.3 | Very low | 39 | Very low | 125 Ų | 125 | 137.5 Ų | 137.5 | 67% | 0.668 | 75% | 0.749 | S | S | * | * | | | trans | 74.8 | 119.3 | -177.3 | -83.4 | 180 | 0 | 0 | 0 | 115.4 | | |
| 261 | F | 30.2 | Very low | 38.7 | Very low | 169 Ų | 169 | 136.5 Ų | 136.5 | 74% | 0.741 | 76% | 0.757 | S | S | * | * | | | cis | -147.3 | 143.1 | 5.5 | -97.5 | -77.9 | 0 | 0 | 0 | 111.1 | P263 | F261-P263 HydrophobicContact CD1-CG 4.11Š|
| 262 | D | 48 | Very low | 38.4 | Very low | 161 Ų | 161 | 135 Ų | 135 | 86% | 0.861 | 76% | 0.758 | S | S | * | * | | | trans | -151.3 | 113.9 | 150.3 | -169.4 | 17.2 | 0 | 0 | 0 | 111.1 | | |
| 263 | P | 51.5 | Low | 38.2 | Very low | 85 Ų | 85 | 133.7 Ų | 133.7 | 55% | 0.552 | 76% | 0.756 | S | S | * | * | | | trans | -119.9 | 122.6 | 172.8 | 5.6 | 18 | 0 | 0 | 0 | 115.3 | F261 | F261-P263 HydrophobicContact CD1-CG 4.11Š|
| 264 | L | 42.4 | Very low | 38 | Very low | 149 Ų | 149 | 136.1 Ų | 136.1 | 78% | 0.78 | 76% | 0.761 | S | S | * | * | | | trans | 77 | 142.4 | 152.3 | -44.4 | 177.7 | 0 | 0 | 0 | 117.5 | | |
| 265 | E | 38.3 | Very low | 38.3 | Very low | 171 Ų | 171 | 133.6 Ų | 133.6 | 80% | 0.799 | 76% | 0.757 | S | S | * | * | | | cis | -168.6 | 159.3 | -7.7 | -112.9 | 175.8 | 120.2 | 0 | 0 | 106.9 | | |
| 266 | A | 36.5 | Very low | 38.8 | Very low | 91 Ų | 91 | 132.9 Ų | 132.9 | 75% | 0.752 | 76% | 0.761 | S | S | * | * | | | cis | -154.1 | -174.2 | -0.3 | 0 | 0 | 0 | 0 | 0 | 109.8 | | |
| 267 | D | 34.5 | Very low | 38.6 | Very low | 153 Ų | 153 | 137.6 Ų | 137.6 | 82% | 0.818 | 77% | 0.768 | S | S | * | * | | | trans | -112.8 | -135.5 | -160 | -168 | 24.2 | 0 | 0 | 0 | 116.9 | | |
| 268 | P | 55.5 | Low | 38.4 | Very low | 100 Ų | 100 | 140 Ų | 140 | 65% | 0.649 | 78% | 0.775 | S | S | * | * | | | trans | -112.2 | -161.6 | -134.9 | 42.1 | -24.3 | 0 | 0 | 0 | 113.8 | | |
| 269 | P | 47.7 | Very low | 38.2 | Very low | 126 Ų | 126 | 138 Ų | 138 | 82% | 0.818 | 78% | 0.775 | S | S | * | * | | | cis | -128.9 | -162.4 | -3.9 | 45 | -27.5 | 0 | 0 | 0 | 112.6 | | |
| 270 | G | 30.7 | Very low | 37.9 | Very low | 69 Ų | 69 | 139.3 Ų | 139.3 | 71% | 0.711 | 78% | 0.781 | S | S | * | * | | | cis | 154.9 | -166.4 | -8.6 | 0 | 0 | 0 | 0 | 0 | 113.5 | | |
| 271 | C | 29.6 | Very low | 37.3 | Very low | 128 Ų | 128 | 140 Ų | 140 | 87% | 0.865 | 78% | 0.784 | S | S | * | * | | | trans | 67.7 | 97.9 | 165.6 | -59.5 | 0 | 0 | 0 | 0 | 122.7 | | |
| 272 | D | 32.8 | Very low | 37.3 | Very low | 156 Ų | 156 | 137.1 Ų | 137.1 | 83% | 0.834 | 79% | 0.785 | S | S | * | * | | | | 71.4 | 163.1 | 121.7 | -136.9 | -23.4 | 0 | 0 | 0 | 123.8 | | |
| 273 | L | 33.9 | Very low | 36.4 | Very low | 143 Ų | 143 | 133.4 Ų | 133.4 | 75% | 0.749 | 79% | 0.785 | S | S | * | * | | | trans | 87.9 | 86.2 | 160.1 | -57.2 | -178 | 0 | 0 | 0 | 123.2 | | |
| 274 | K | 33.1 | Very low | 35.6 | Very low | 194 Ų | 194 | 137.4 Ų | 137.4 | 84% | 0.843 | 80% | 0.801 | S | S | * | * | | | | 69.3 | -171.9 | 128.2 | -135.3 | 94.8 | 176.6 | -173.6 | 0 | 117.4 | | |
| 275 | P | 41.6 | Very low | 35 | Very low | 99 Ų | 99 | 136.5 Ų | 136.5 | 64% | 0.643 | 79% | 0.793 | S | S | * | * | | | | -121.6 | 167.2 | -116.4 | 41.5 | -24.8 | 0 | 0 | 0 | 116.5 | | |
| 276 | P | 41.7 | Very low | 34.6 | Very low | 123 Ų | 123 | 137 Ų | 137 | 80% | 0.799 | 79% | 0.787 | S | S | * | * | P | Polyproline II helix | trans | -73.4 | 140.2 | 169.6 | 30.7 | -34.3 | 0 | 0 | 0 | 112.8 | | |
| 277 | F | 30.7 | Very low | 34.4 | Very low | 210 Ų | 210 | 138.8 Ų | 138.8 | 92% | 0.921 | 79% | 0.789 | S | S | * | * | P | Polyproline II helix | trans | -48.8 | 141.1 | -173.9 | -73 | -102.6 | 0 | 0 | 0 | 116.5 | | |
| 278 | Q | 32.8 | Very low | 35.2 | Very low | 181 Ų | 181 | 137 Ų | 137 | 85% | 0.846 | 79% | 0.786 | S | S | * | * | P | Polyproline II helix | trans | -93.3 | 153.8 | 151.9 | -66 | -175.8 | 3.1 | 0 | 0 | 109.7 | L280 | Q278-L280 PolarHBondContact O-N 2.86Š|
| 279 | S | 30.6 | Very low | 33.8 | Very low | 124 Ų | 124 | 136.8 Ų | 136.8 | 87% | 0.867 | 79% | 0.792 | S | S | * | * | P | Polyproline II helix | trans | -72.4 | 125.2 | 177.7 | -166.6 | 0 | 0 | 0 | 0 | 110.7 | | |
| 280 | L | 31.6 | Very low | 33.1 | Very low | 168 Ų | 168 | 135.7 Ų | 135.7 | 88% | 0.88 | 79% | 0.793 | S | S | * | * | P | Polyproline II helix | trans | -77.2 | 144.7 | 166.3 | -80 | 165 | 0 | 0 | 0 | 110.5 | Q278 | Q278-L280 PolarHBondContact O-N 2.86Š|
| 281 | D | 30.6 | Very low | 34.1 | Very low | 139 Ų | 139 | 137.6 Ų | 137.6 | 74% | 0.743 | 79% | 0.793 | S | S | * | * | | | trans | -130.1 | 156.1 | 160.8 | 177.9 | 66.3 | 0 | 0 | 0 | 108.6 | | |
| 282 | S | 30.3 | Very low | 34.2 | Very low | 109 Ų | 109 | 138.1 Ų | 138.1 | 76% | 0.762 | 79% | 0.788 | S | S | * | * | | | trans | 64.3 | 114.6 | 171.3 | -69.7 | 0 | 0 | 0 | 0 | 118.2 | | |
| 283 | G | 27.1 | Very low | 34 | Very low | 83 Ų | 83 | 135.6 Ų | 135.6 | 86% | 0.856 | 77% | 0.774 | S | S | * | * | | | trans | 171.7 | 116.4 | 166.5 | 0 | 0 | 0 | 0 | 0 | 111.9 | | |
| 284 | L | 35.4 | Very low | 34.4 | Very low | 169 Ų | 169 | 138.3 Ų | 138.3 | 89% | 0.885 | 77% | 0.774 | S | S | * | * | | | trans | -139.1 | 129.6 | -172.7 | -164.1 | 159 | 0 | 0 | 0 | 111.8 | | |
| 285 | E | 29.4 | Very low | 34.4 | Very low | 130 Ų | 130 | 135.2 Ų | 135.2 | 61% | 0.607 | 77% | 0.772 | S | S | * | * | | | trans | -136.2 | 153.9 | 178.7 | -75.2 | -94 | 148.8 | 0 | 0 | 109 | | |
| 286 | R | 31.3 | Very low | 34.1 | Very low | 181 Ų | 181 | 138.2 Ų | 138.2 | 68% | 0.683 | 78% | 0.775 | S | S | * | * | | | cis | -172.4 | 116.6 | -21.3 | 161.2 | 172.7 | -79.3 | 138.8 | 7.3 | 109.8 | | |
| 287 | V | 31.2 | Very low | 33.6 | Very low | 130 Ų | 130 | 140 Ų | 140 | 79% | 0.788 | 77% | 0.772 | S | S | * | * | | | trans | 62.2 | 167.1 | 141.5 | 166 | 0 | 0 | 0 | 0 | 117.2 | | |
| 288 | P | 50.9 | Low | 33.7 | Very low | 116 Ų | 116 | 134 Ų | 134 | 75% | 0.753 | 76% | 0.762 | S | S | * | * | | | cis | -122 | 163.8 | -1.8 | 18.3 | 5.6 | 0 | 0 | 0 | 117.4 | | |
| 289 | A | 26.8 | Very low | 33.8 | Very low | 95 Ų | 95 | 131.9 Ų | 131.9 | 79% | 0.785 | 77% | 0.767 | S | S | * | * | | | | 178.9 | 119.3 | 112.3 | 0 | 0 | 0 | 0 | 0 | 115.4 | | |
| 290 | A | 33.4 | Very low | 33.7 | Very low | 102 Ų | 102 | 129.5 Ų | 129.5 | 84% | 0.843 | 76% | 0.762 | S | S | * | * | | | trans | 71.5 | 160.6 | 150.2 | 0 | 0 | 0 | 0 | 0 | 120.6 | | |
| 291 | P | 50.7 | Low | 33.7 | Very low | 109 Ų | 109 | 125.8 Ų | 125.8 | 71% | 0.708 | 76% | 0.756 | S | S | * | * | | | trans | -109.8 | -168.8 | -158.4 | 47.1 | -38.9 | 0 | 0 | 0 | 113.4 | | |
| 292 | D | 31.5 | Very low | 33.6 | Very low | 139 Ų | 139 | 127.4 Ų | 127.4 | 74% | 0.743 | 76% | 0.763 | S | S | * | * | | | cis | -163.2 | 172.8 | 22.3 | -126.8 | 150.8 | 0 | 0 | 0 | 108.9 | | |
| 293 | D | 30.1 | Very low | 33.6 | Very low | 103 Ų | 103 | 133 Ų | 133 | 55% | 0.551 | 77% | 0.768 | S | S | * | * | | | cis | -159.3 | 170.9 | -4.5 | -166.4 | -170.4 | 0 | 0 | 0 | 108.7 | | |
| 294 | R | 41.2 | Very low | 34 | Very low | 200 Ų | 200 | 136.8 Ų | 136.8 | 76% | 0.755 | 77% | 0.765 | S | S | * | * | | | trans | 70 | 131.5 | 148.1 | -88.6 | 167.2 | -142.7 | -103.1 | -15 | 125.1 | | |
| 295 | V | 33.9 | Very low | 34.5 | Very low | 130 Ų | 130 | 135 Ų | 135 | 79% | 0.788 | 76% | 0.764 | S | S | * | * | | | trans | 79 | 136 | 134.8 | 161.9 | 0 | 0 | 0 | 0 | 118.6 | | |
| 296 | K | 34.5 | Very low | 34.5 | Very low | 162 Ų | 162 | 136.9 Ų | 136.9 | 70% | 0.704 | 78% | 0.777 | S | S | * | * | | | cis | -168.4 | 141 | -17.7 | 177.4 | 169.7 | 179 | -176.1 | 0 | 110.2 | | |
| 297 | E | 31.1 | Very low | 34.5 | Very low | 159 Ų | 159 | 132.6 Ų | 132.6 | 74% | 0.743 | 78% | 0.78 | S | S | * | * | | | trans | 29 | 120.8 | 146.2 | -146.8 | 172.8 | 166.2 | 0 | 0 | 119 | | |
| 298 | A | 32.8 | Very low | 34.6 | Very low | 86 Ų | 86 | 131.7 Ų | 131.7 | 71% | 0.711 | 79% | 0.786 | S | S | * | * | | | cis | 110.3 | 143.1 | 27 | 0 | 0 | 0 | 0 | 0 | 113.1 | | |
| 299 | S | 34.9 | Very low | 33.4 | Very low | 135 Ų | 135 | 130.2 Ų | 130.2 | 94% | 0.944 | 79% | 0.792 | S | S | * | * | | | trans | 63.6 | 162.7 | 177 | -57.9 | 0 | 0 | 0 | 0 | 115.4 | | |
| 300 | G | 28.9 | Very low | 33.4 | Very low | 75 Ų | 75 | 129.8 Ų | 129.8 | 77% | 0.773 | 80% | 0.797 | S | S | * | * | | | cis | 166.8 | 176.1 | -2.5 | 0 | 0 | 0 | 0 | 0 | 108.8 | | |
| 301 | A | 31.1 | Very low | 33.1 | Very low | 90 Ų | 90 | 128.6 Ų | 128.6 | 74% | 0.744 | 80% | 0.795 | S | S | * | * | | | cis | -171.6 | 162.8 | -17.2 | 0 | 0 | 0 | 0 | 0 | 109.6 | | |
| 302 | L | 30.1 | Very low | 32.2 | Very low | 172 Ų | 172 | 128.6 Ų | 128.6 | 90% | 0.901 | 80% | 0.804 | S | S | * | * | | | trans | 66.3 | 138.4 | 163.8 | -61.3 | 164.6 | 0 | 0 | 0 | 121 | | |
| 303 | R | 29.4 | Very low | 32.1 | Very low | 227 Ų | 227 | 125.9 Ų | 125.9 | 86% | 0.857 | 80% | 0.801 | S | S | * | * | | | | 134.8 | 137.7 | 113.9 | -151.7 | 174.7 | -174.7 | 143.8 | 2.3 | 115.9 | | |
| 304 | M | 36.2 | Very low | 32.5 | Very low | 162 Ų | 162 | 128.8 Ų | 128.8 | 80% | 0.798 | 82% | 0.815 | S | S | * | * | | | trans | -108.4 | 160 | 165.4 | -59.7 | -79 | 93.1 | 0 | 0 | 109.7 | | |
| 305 | P | 45.3 | Very low | 32.1 | Very low | 133 Ų | 133 | 125.7 Ų | 125.7 | 86% | 0.864 | 81% | 0.814 | S | S | * | * | | | | -151.1 | -157.7 | 103.8 | 41.1 | -22.6 | 0 | 0 | 0 | 114.6 | | |
| 306 | L | 30.1 | Very low | 32.3 | Very low | 169 Ų | 169 | 127.3 Ų | 127.3 | 89% | 0.885 | 81% | 0.813 | S | S | * | * | | | trans | -108 | 158.5 | -159.4 | -130.8 | 78 | 0 | 0 | 0 | 115.4 | | |
| 307 | A | 31.1 | Very low | 32.2 | Very low | 91 Ų | 91 | 125.2 Ų | 125.2 | 75% | 0.752 | 81% | 0.809 | S | S | * | * | | | trans | 86.8 | 139.2 | 135.5 | 0 | 0 | 0 | 0 | 0 | 124.6 | | |
| 308 | A | 31.8 | Very low | 32.6 | Very low | 110 Ų | 110 | 124 Ų | 124 | 91% | 0.909 | 81% | 0.808 | S | S | * | * | | | trans | 87.4 | 141.6 | 140.9 | 0 | 0 | 0 | 0 | 0 | 122.4 | | |
| 309 | G | 27.2 | Very low | 32.8 | Very low | 85 Ų | 85 | 125.6 Ų | 125.6 | 88% | 0.876 | 80% | 0.8 | S | S | * | * | | | trans | 111.3 | 134.9 | 173.8 | 0 | 0 | 0 | 0 | 0 | 114.4 | | |
| 310 | G | 26.6 | Very low | 32.8 | Very low | 86 Ų | 86 | 128.7 Ų | 128.7 | 89% | 0.887 | 79% | 0.791 | S | S | * | * | | | cis | 153.6 | 100.2 | -15.6 | 0 | 0 | 0 | 0 | 0 | 115.9 | | |
| 311 | G | 26 | Very low | 33 | Very low | 78 Ų | 78 | 129.3 Ų | 129.3 | 80% | 0.804 | 79% | 0.789 | S | S | * | * | | | trans | 110 | 150.5 | 154.5 | 0 | 0 | 0 | 0 | 0 | 119.2 | | |
| 312 | A | 31.8 | Very low | 33.3 | Very low | 108 Ų | 108 | 136.3 Ų | 136.3 | 89% | 0.893 | 80% | 0.796 | S | S | * | * | | | trans | 64.9 | 152 | 166.8 | 0 | 0 | 0 | 0 | 0 | 119.4 | | |
| 313 | A | 30.6 | Very low | 33.3 | Very low | 82 Ų | 82 | 133.2 Ų | 133.2 | 68% | 0.678 | 79% | 0.789 | S | S | * | * | | | cis | -170 | 154.4 | -27.6 | 0 | 0 | 0 | 0 | 0 | 110 | | |
| 314 | L | 38.4 | Very low | 33.3 | Very low | 164 Ų | 164 | 127.5 Ų | 127.5 | 86% | 0.859 | 78% | 0.783 | S | S | * | * | | | trans | 66.6 | 152.9 | 173.8 | -43.9 | 178.6 | 0 | 0 | 0 | 114.5 | | |
| 315 | D | 33.2 | Very low | 33.1 | Very low | 135 Ų | 135 | 126 Ų | 126 | 72% | 0.722 | 78% | 0.777 | S | S | * | * | | | cis | -148.9 | -173.8 | -0.5 | -146.2 | -171.5 | 0 | 0 | 0 | 112.4 | | |
| 316 | E | 38.1 | Very low | 32.3 | Very low | 164 Ų | 164 | 130.7 Ų | 130.7 | 77% | 0.766 | 78% | 0.777 | S | S | * | * | | | trans | -37.6 | 159.4 | 173 | -65.3 | 176.6 | -1.4 | 0 | 0 | 117.2 | | |
| 317 | D | 32.3 | Very low | 32.2 | Very low | 118 Ų | 118 | 128 Ų | 128 | 63% | 0.631 | 77% | 0.773 | S | S | * | * | | | cis | -153.8 | 137.6 | 6.7 | -137.5 | -148 | 0 | 0 | 0 | 108.5 | | |
| 318 | L | 39.1 | Very low | 32.2 | Very low | 135 Ų | 135 | 128.2 Ų | 128.2 | 71% | 0.707 | 78% | 0.775 | S | S | * | * | | | | 72.6 | 127.5 | 89.7 | -154.7 | 93.9 | 0 | 0 | 0 | 114.5 | | |
| 319 | E | 37.7 | Very low | 32.2 | Very low | 119 Ų | 119 | 127.9 Ų | 127.9 | 56% | 0.556 | 77% | 0.772 | S | S | * | * | | | cis | -148.6 | 161.2 | -12.7 | -112.4 | -159.4 | 169.1 | 0 | 0 | 110.1 | | |
| 320 | R | 34.8 | Very low | 32.3 | Very low | 200 Ų | 200 | 129.1 Ų | 129.1 | 76% | 0.755 | 77% | 0.774 | S | S | * | * | | | | 58.5 | 140.2 | 73.4 | -146 | 171.5 | -71.4 | 155.7 | -9.6 | 111.5 | | |
| 321 | A | 32.3 | Very low | 32.2 | Very low | 88 Ų | 88 | 128.3 Ų | 128.3 | 73% | 0.727 | 77% | 0.765 | S | S | * | * | | | cis | -141.2 | 155.8 | 35.5 | 0 | 0 | 0 | 0 | 0 | 119.6 | | |
| 322 | R | 36.3 | Very low | 33.1 | Very low | 236 Ų | 236 | 131.2 Ų | 131.2 | 89% | 0.891 | 77% | 0.77 | S | S | * | * | | | trans | -138.5 | 159.7 | 153.4 | -89.5 | -174.5 | 171.8 | 175.8 | -1.3 | 107.1 | | |
| 323 | S | 32 | Very low | 33.1 | Very low | 108 Ų | 108 | 132.4 Ų | 132.4 | 76% | 0.755 | 76% | 0.757 | S | S | * | * | | | trans | 69.3 | 153.8 | -175.5 | -122.3 | 0 | 0 | 0 | 0 | 112.6 | | |
| 324 | C | 28.6 | Very low | 33.6 | Very low | 107 Ų | 107 | 134.2 Ų | 134.2 | 72% | 0.723 | 76% | 0.762 | S | S | * | * | | | cis | -149.5 | 173.4 | 22.7 | -85.5 | 0 | 0 | 0 | 0 | 109.6 | | |
| 325 | L | 32.5 | Very low | 33.4 | Very low | 130 Ų | 130 | 132.8 Ų | 132.8 | 68% | 0.681 | 76% | 0.755 | S | S | * | * | | | cis | -167.7 | 139.6 | -21.2 | -107.8 | 172.8 | 0 | 0 | 0 | 111.4 | | |
| 326 | R | 27.8 | Very low | 34 | Very low | 231 Ų | 231 | 132.3 Ų | 132.3 | 87% | 0.872 | 76% | 0.759 | S | S | * | * | | | trans | 69.5 | 168.6 | 140.3 | -131.4 | 170.5 | -161.4 | 149.8 | 3.6 | 121.5 | | |
| 327 | S | 28.4 | Very low | 33.5 | Very low | 113 Ų | 113 | 127.9 Ų | 127.9 | 79% | 0.79 | 76% | 0.758 | S | S | * | * | | | trans | -106.2 | 164.9 | -166.5 | -8.8 | 0 | 0 | 0 | 0 | 114.7 | | |
| 328 | A | 31.7 | Very low | 33.4 | Very low | 96 Ų | 96 | 126.8 Ų | 126.8 | 79% | 0.793 | 77% | 0.765 | S | S | * | * | | | | -178.1 | 130 | 128.6 | 0 | 0 | 0 | 0 | 0 | 116.8 | | |
| 329 | A | 30.2 | Very low | 32.9 | Very low | 103 Ų | 103 | 130.2 Ų | 130.2 | 85% | 0.851 | 78% | 0.777 | S | S | * | * | | | trans | 64 | 156.7 | 131.3 | 0 | 0 | 0 | 0 | 0 | 126 | | |
| 330 | A | 29.1 | Very low | 32.6 | Very low | 110 Ų | 110 | 128 Ų | 128 | 91% | 0.909 | 79% | 0.787 | S | S | * | * | | | trans | 86.3 | 142.6 | 160.6 | 0 | 0 | 0 | 0 | 0 | 120.9 | | |
| 331 | G | 26 | Very low | 32.3 | Very low | 69 Ų | 69 | 124.3 Ų | 124.3 | 71% | 0.711 | 79% | 0.792 | S | S | * | * | | | trans | -128.6 | -172.3 | 175.1 | 0 | 0 | 0 | 0 | 0 | 112 | | |
| 332 | P | 43.8 | Very low | 33.5 | Very low | 139 Ų | 139 | 125.9 Ų | 125.9 | 90% | 0.903 | 80% | 0.795 | S | S | * | * | | | | -151.4 | -177.4 | 97.6 | 40.1 | -21.5 | 0 | 0 | 0 | 117.1 | | |
| 333 | E | 32.7 | Very low | 33.2 | Very low | 133 Ų | 133 | 122.8 Ų | 122.8 | 62% | 0.621 | 79% | 0.79 | S | S | * | * | | | trans | -76.8 | 167.8 | 176.9 | -106 | -84.6 | 101.7 | 0 | 0 | 113.6 | L335 | E333-L335 PolarHBondContact OE1-N 3.35Å; E333-L335 WeakPolarHBondContact OE2-CD1 3.47Å; E333-L335 WeakPolarHBondContact OE2-CG 3.39Å; E333-L335 PolarHBondContact OE2-N 3.43Å |
| 334 | P | 40.5 | Very low | 32.9 | Very low | 121 Ų | 121 | 123.4 Ų | 123.4 | 79% | 0.786 | 79% | 0.789 | S | S | * | * | | | | -145.3 | 157.6 | 54.1 | 39 | -17.3 | 0 | 0 | 0 | 122.1 | | |
| 335 | L | 34.8 | Very low | 32.9 | Very low | 134 Ų | 134 | 124.5 Ų | 124.5 | 70% | 0.702 | 80% | 0.797 | S | S | * | * | | | trans | -38.4 | 176 | 157.5 | -84.4 | 163.6 | 0 | 0 | 0 | 118.8 | E333 | E333-L335 PolarHBondContact OE1-N 3.35Å; E333-L335 WeakPolarHBondContact OE2-CD1 3.47Å; E333-L335 WeakPolarHBondContact OE2-CG 3.39Å; E333-L335 PolarHBondContact OE2-N 3.43Å |
| 336 | P | 45.6 | Very low | 32.7 | Very low | 124 Ų | 124 | 126.9 Ų | 126.9 | 81% | 0.805 | 80% | 0.804 | S | S | * | * | | | cis | -144.2 | 171.2 | 23.7 | 43.3 | -23.6 | 0 | 0 | 0 | 121.1 | | |
| 337 | G | 26.9 | Very low | 32.8 | Very low | 72 Ų | 72 | 119.2 Ų | 119.2 | 74% | 0.742 | 79% | 0.79 | S | S | * | * | | | trans | 115.7 | 140.9 | 155.3 | 0 | 0 | 0 | 0 | 0 | 116.3 | | |
| 338 | A | 30.4 | Very low | 33.1 | Very low | 95 Ų | 95 | 123.4 Ų | 123.4 | 79% | 0.785 | 79% | 0.794 | S | S | * | * | | | cis | -157.5 | 155.1 | -8 | 0 | 0 | 0 | 0 | 0 | 112.3 | | |
| 339 | E | 29.7 | Very low | 33.1 | Very low | 206 Ų | 206 | 127.2 Ų | 127.2 | 96% | 0.963 | 80% | 0.8 | S | S | * | * | | | trans | 22.1 | 142.8 | 159.7 | -55.7 | -170.2 | 109.5 | 0 | 0 | 124 | | |
| 340 | G | 29.8 | Very low | 33 | Very low | 74 Ų | 74 | 125.1 Ų | 125.1 | 76% | 0.763 | 79% | 0.789 | S | S | * | * | | | trans | 150.7 | 106.8 | 155.9 | 0 | 0 | 0 | 0 | 0 | 116.8 | | |
| 341 | S | 28.6 | Very low | 33 | Very low | 122 Ų | 122 | 130 Ų | 130 | 85% | 0.853 | 79% | 0.79 | S | S | * | * | | | trans | -168.6 | 166.2 | 173.3 | -77.4 | 0 | 0 | 0 | 0 | 110.3 | | |
| 342 | P | 57.8 | Low | 33.3 | Very low | 121 Ų | 121 | 129.3 Ų | 129.3 | 79% | 0.786 | 78% | 0.783 | S | S | * | * | | | cis | -123.3 | -147.6 | -24.9 | 38.2 | -19.9 | 0 | 0 | 0 | 109.9 | | |
| 343 | Q | 31.1 | Very low | 33.3 | Very low | 170 Ų | 170 | 129.3 Ų | 129.3 | 79% | 0.794 | 78% | 0.783 | S | S | * | * | | | trans | 145.2 | 111.7 | 131.8 | -175.9 | 161.6 | -19.7 | 0 | 0 | 116.6 | | |
| 344 | V | 26 | Very low | 33.2 | Very low | 122 Ų | 122 | 128 Ų | 128 | 74% | 0.739 | 80% | 0.795 | S | S | * | * | | | trans | 55.3 | 132.7 | 138.6 | -179.5 | 0 | 0 | 0 | 0 | 119.1 | | |
| 345 | C | 27.7 | Very low | 32.7 | Very low | 130 Ų | 130 | 126.2 Ų | 126.2 | 88% | 0.878 | 80% | 0.798 | S | S | * | * | | | | -156.7 | 163 | 88.8 | -81.9 | 0 | 0 | 0 | 0 | 113.7 | | |
| 346 | E | 28 | Very low | 32.5 | Very low | 180 Ų | 180 | 124.5 Ų | 124.5 | 84% | 0.841 | 80% | 0.803 | S | S | * | * | | | trans | -121.7 | 179.6 | -170.9 | -149.3 | -141.8 | 128.3 | 0 | 0 | 113.2 | | |
| 347 | A | 30 | Very low | 31.8 | Very low | 70 Ų | 70 | 124.6 Ų | 124.6 | 58% | 0.579 | 81% | 0.807 | S | S | * | * | | | trans | 68.7 | 100.3 | 148.7 | 0 | 0 | 0 | 0 | 0 | 121.4 | | |
| 348 | K | 34.1 | Very low | 32.3 | Very low | 201 Ų | 201 | 126 Ų | 126 | 87% | 0.874 | 81% | 0.812 | S | S | * | * | | | | 55.9 | 117.8 | 103.6 | -173.2 | -175.2 | -173.1 | 177.2 | 0 | 119.4 | | |
| 349 | L | 32 | Very low | 32.3 | Very low | 175 Ų | 175 | 125.3 Ų | 125.3 | 92% | 0.916 | 81% | 0.814 | S | S | * | * | | | trans | -154.1 | 155.5 | 135.8 | -106.4 | -179.3 | 0 | 0 | 0 | 110.6 | | |
| 350 | G | 28.3 | Very low | 32.6 | Very low | 60 Ų | 60 | 123.7 Ų | 123.7 | 62% | 0.619 | 81% | 0.811 | S | S | * | * | | | trans | -173 | 152.8 | 173.3 | 0 | 0 | 0 | 0 | 0 | 111.2 | | |
| 351 | F | 28.4 | Very low | 32.9 | Very low | 212 Ų | 212 | 127.1 Ų | 127.1 | 93% | 0.93 | 81% | 0.807 | S | S | * | * | | | trans | -158.4 | 147.4 | 170.8 | -124.4 | -87.1 | 0 | 0 | 0 | 110.1 | | |
| 352 | G | 32.9 | Very low | 33.2 | Very low | 55 Ų | 55 | 126 Ų | 126 | 57% | 0.567 | 81% | 0.805 | S | S | * | * | | | trans | -135.7 | 167.8 | 161.8 | 0 | 0 | 0 | 0 | 0 | 108.7 | | |
| 353 | P | 44.4 | Very low | 32.4 | Very low | 138 Ų | 138 | 126.9 Ų | 126.9 | 90% | 0.896 | 80% | 0.796 | S | S | * | * | | | | -141.3 | 168.1 | 123.7 | 36.3 | -22.9 | 0 | 0 | 0 | 115.4 | | |
| 354 | A | 31.3 | Very low | 32.8 | Very low | 107 Ų | 107 | 124.5 Ų | 124.5 | 88% | 0.884 | 80% | 0.796 | S | S | * | * | | | trans | -52.3 | 157.5 | -175.5 | 0 | 0 | 0 | 0 | 0 | 118.1 | | |
| 355 | G | 28.6 | Very low | 34.1 | Very low | 82 Ų | 82 | 130.1 Ų | 130.1 | 85% | 0.845 | 80% | 0.804 | S | S | * | * | | | trans | -165.6 | 114.9 | 158.6 | 0 | 0 | 0 | 0 | 0 | 108.6 | | |
| 356 | A | 30.6 | Very low | 35.3 | Very low | 98 Ų | 98 | 131.1 Ų | 131.1 | 81% | 0.81 | 80% | 0.799 | S | S | * | * | | | trans | -115.9 | 147 | -162.3 | 0 | 0 | 0 | 0 | 0 | 114.3 | | |
| 357 | S | 31.9 | Very low | 36 | Very low | 127 Ų | 127 | 134.4 Ų | 134.4 | 89% | 0.888 | 80% | 0.804 | S | S | * | * | | | trans | -179.7 | 157.6 | 131.9 | 40.3 | 0 | 0 | 0 | 0 | 110.5 | | |
| 358 | A | 36 | Very low | 36.8 | Very low | 101 Ų | 101 | 137 Ų | 137 | 84% | 0.835 | 82% | 0.818 | S | S | * | * | | | trans | -94.8 | 136.3 | -178.9 | 0 | 0 | 0 | 0 | 0 | 111.8 | | |
| 359 | G | 30.3 | Very low | 37.5 | Very low | 80 Ų | 80 | 135.9 Ų | 135.9 | 83% | 0.825 | 82% | 0.82 | S | S | * | * | | | trans | -112.8 | 122.7 | 167.9 | 0 | 0 | 0 | 0 | 0 | 110 | | |
| 360 | L | 37.3 | Very low | 38.4 | Very low | 172 Ų | 172 | 131.6 Ų | 131.6 | 90% | 0.901 | 81% | 0.81 | S | S | * | * | | | trans | -78.9 | 161 | -169.7 | -76.7 | 170.8 | 0 | 0 | 0 | 114.6 | | |
| 361 | E | 35.9 | Very low | 39.3 | Very low | 146 Ų | 146 | 138.1 Ų | 138.1 | 68% | 0.682 | 82% | 0.824 | S | S | * | * | | | trans | -55.2 | 132.5 | 176.2 | 172.1 | 179.5 | 137.2 | 0 | 0 | 114 | K363 | E361-K363 VanDerWaalsContact CD-CD 3.47Å; E361-K363 HydrophobicContact CG-CD 3.75Å; E361-K363 WeakPolarHBondContact OE1-CD 3.01Å; E361-K363 WeakPolarHBondContact OE1-CE 3.34Å; E361-K363 IonicContact OE1-NZ 2.68Å; E361-K363 PolarHBondContact OE1-NZ 3.38Å; E361-K363 IonicContact OE2-NZ 2.64Å; E361-K363 PolarHBondContact OE2-NZ 2.89Å |
| 362 | A | 34.6 | Very low | 40.3 | Very low | 98 Ų | 98 | 134.6 Ų | 134.6 | 81% | 0.81 | 82% | 0.82 | S | S | * | * | | | trans | -137.9 | 95.7 | 160.2 | 0 | 0 | 0 | 0 | 0 | 111.4 | | |
| 363 | K | 40.5 | Very low | 40.5 | Very low | 140 Ų | 140 | 136.5 Ų | 136.5 | 61% | 0.609 | 83% | 0.831 | S | S | * | * | | | trans | -72.9 | 135.6 | 163.9 | -77.3 | 92.4 | 162 | -172 | 0 | 109.3 | E361 R365 | E361-K363 VanDerWaalsContact CD-CD 3.47Å; E361-K363 HydrophobicContact CG-CD 3.75Å; E361-K363 WeakPolarHBondContact OE1-CD 3.01Å; E361-K363 WeakPolarHBondContact OE1-CE 3.34Å; E361-K363 IonicContact OE1-NZ 2.68Å; E361-K363 PolarHBondContact OE1-NZ 3.38Å; E361-K363 IonicContact OE2-NZ 2.64Å; E361-K363 PolarHBondContact OE2-NZ 2.89Å; K363-R365 PolarHBondContact O-N 3.48Å; K363-R365 VanDerWaalsContact O-N 3.09Å |
| 364 | P | 40.6 | Very low | 40.4 | Very low | 121 Ų | 121 | 136.8 Ų | 136.8 | 79% | 0.786 | 83% | 0.83 | S | S | * | * | | | trans | -67.7 | 109.4 | 172.3 | 27.9 | -33.3 | 0 | 0 | 0 | 110.1 | I366 | P364-I366 PolarHBondContact O-N 3.47Š|
| 365 | R | 51.7 | Low | 40.7 | Very low | 239 Ų | 239 | 136.7 Ų | 136.7 | 90% | 0.902 | 83% | 0.829 | S | S | * | * | | | trans | -80.5 | 112.1 | 172.3 | -68.1 | -169.5 | -176.9 | -167.5 | 3.3 | 109.2 | K363 W367 | K363-R365 PolarHBondContact O-N 3.48Å; K363-R365 VanDerWaalsContact O-N 3.09Å; R365-W367 PolarHBondContact O-N 3.33Å |
| 366 | I | 53.6 | Low | 41.5 | Very low | 152 Ų | 152 | 137.9 Ų | 137.9 | 78% | 0.779 | 83% | 0.831 | S | S | * | * | S | Bend | trans | -78.1 | 88.9 | 177.3 | -54.2 | 169 | 0 | 0 | 0 | 108.6 | P364 | P364-I366 PolarHBondContact O-N 3.47Š|
| 367 | W | 43.7 | Very low | 42.4 | Very low | 248 Ų | 248 | 138 Ų | 138 | 94% | 0.939 | 83% | 0.832 | S | S | * | * | | | trans | 168.9 | 95.7 | 147 | -81.6 | -23.5 | 0 | 0 | 0 | 110.5 | R365 | R365-W367 PolarHBondContact O-N 3.33Š|
| 368 | S | 44.9 | Very low | 43.1 | Very low | 126 Ų | 126 | 136.5 Ų | 136.5 | 88% | 0.881 | 83% | 0.827 | S | S | * | * | | | trans | -135.9 | 125.7 | 153.6 | -71.1 | 0 | 0 | 0 | 0 | 107.8 | | |
| 369 | L | 50.8 | Low | 43.5 | Very low | 176 Ų | 176 | 137.7 Ų | 137.7 | 92% | 0.921 | 82% | 0.824 | S | S | * | * | | | trans | -94.6 | 137.6 | 175.1 | -147.7 | 76.1 | 0 | 0 | 0 | 108.6 | | |
| 370 | A | 50.4 | Low | 44.4 | Very low | 85 Ų | 85 | 138.9 Ų | 138.9 | 70% | 0.702 | 83% | 0.826 | S | S | * | * | | | trans | 61.3 | 128.4 | 177.7 | 0 | 0 | 0 | 0 | 0 | 117.6 | | |
| 371 | H | 46.6 | Very low | 44.8 | Very low | 197 Ų | 197 | 138.8 Ų | 138.8 | 91% | 0.912 | 83% | 0.826 | S | S | * | * | | | | -153 | 146.3 | 120.7 | -118.4 | -133 | 0 | 0 | 0 | 108.2 | | |
| 372 | T | 49.4 | Very low | 44.9 | Very low | 139 Ų | 139 | 136.7 Ų | 136.7 | 85% | 0.853 | 83% | 0.827 | S | S | * | * | | | trans | -94.6 | 161 | -165.3 | 43.1 | 0 | 0 | 0 | 0 | 114.1 | | |
| 373 | A | 37.1 | Very low | 44.9 | Very low | 95 Ų | 95 | 141.6 Ų | 141.6 | 79% | 0.785 | 83% | 0.833 | S | S | * | * | | | trans | -43.6 | 139.6 | -174.5 | 0 | 0 | 0 | 0 | 0 | 117.3 | | |
| 374 | T | 42 | Very low | 44.6 | Very low | 144 Ų | 144 | 141.5 Ų | 141.5 | 88% | 0.883 | 85% | 0.845 | S | S | * | * | | | | -177.8 | 103.5 | 124.7 | -73.8 | 0 | 0 | 0 | 0 | 109.8 | | |
| 375 | A | 37.9 | Very low | 44.6 | Very low | 104 Ų | 104 | 144.5 Ų | 144.5 | 86% | 0.86 | 85% | 0.848 | S | S | * | * | | | trans | -163.9 | 47.1 | 175.1 | 0 | 0 | 0 | 0 | 0 | 113.7 | | |
| 376 | A | 46.3 | Very low | 43.8 | Very low | 107 Ų | 107 | 142.9 Ų | 142.9 | 88% | 0.884 | 85% | 0.848 | S | S | * | * | | | trans | -112.3 | 41.2 | -174.3 | 0 | 0 | 0 | 0 | 0 | 113.7 | | |
| 377 | A | 48.8 | Very low | 43.5 | Very low | 102 Ų | 102 | 141 Ų | 141 | 84% | 0.843 | 85% | 0.846 | S | S | * | * | S | Bend | trans | -155.4 | 29.9 | -174.5 | 0 | 0 | 0 | 0 | 0 | 115.6 | | |
| 378 | A | 47.3 | Very low | 43.2 | Very low | 94 Ų | 94 | 135.2 Ų | 135.2 | 78% | 0.777 | 84% | 0.843 | S | S | * | * | S | Bend | trans | -147.2 | 30.8 | -168.1 | 0 | 0 | 0 | 0 | 0 | 117.7 | | |
| 379 | T | 43 | Very low | 43 | Very low | 127 Ų | 127 | 134.9 Ų | 134.9 | 78% | 0.779 | 84% | 0.84 | S | S | * | * | | | trans | -150.5 | 34.2 | 171.8 | -28.8 | 0 | 0 | 0 | 0 | 114.4 | L381 | T379-L381 PolarHBondContact O-N 3.32Å; T379-L381 VanDerWaalsContact O-N 3.09Å |
| 380 | A | 49.9 | Very low | 42.3 | Very low | 104 Ų | 104 | 134.4 Ų | 134.4 | 86% | 0.86 | 84% | 0.835 | S | S | * | * | | | trans | -83.8 | 46.4 | 178.3 | 0 | 0 | 0 | 0 | 0 | 113.5 | | |
| 381 | L | 46.5 | Very low | 41.9 | Very low | 171 Ų | 171 | 138.2 Ų | 138.2 | 90% | 0.895 | 84% | 0.842 | S | S | * | * | | | trans | -170.6 | 80.3 | 169.8 | -113.6 | 160.6 | 0 | 0 | 0 | 114.3 | T379 | T379-L381 PolarHBondContact O-N 3.32Å; T379-L381 VanDerWaalsContact O-N 3.09Å |
| 382 | S | 37.2 | Very low | 41.4 | Very low | 102 Ų | 102 | 137.2 Ų | 137.2 | 71% | 0.713 | 84% | 0.835 | S | S | * | * | | | trans | -161.3 | 150.6 | 148.4 | 57.4 | 0 | 0 | 0 | 0 | 109.9 | | |
| 383 | Q | 34.4 | Very low | 40.7 | Very low | 200 Ų | 200 | 142.7 Ų | 142.7 | 94% | 0.935 | 84% | 0.84 | S | S | * | * | | | trans | -90.6 | 141.4 | -168.9 | -60.4 | 172.6 | 18.2 | 0 | 0 | 111.6 | | |
| 384 | T | 35 | Very low | 40.7 | Very low | 138 Ų | 138 | 145.7 Ų | 145.7 | 85% | 0.847 | 84% | 0.838 | S | S | * | * | | | trans | -126.2 | 105.9 | 170.6 | 56.9 | 0 | 0 | 0 | 0 | 110.3 | | |
| 385 | E | 40.3 | Very low | 40.3 | Very low | 184 Ų | 184 | 141.8 Ų | 141.8 | 86% | 0.86 | 83% | 0.827 | S | S | * | * | | | trans | -96.4 | 111 | 174.9 | -178 | 179.9 | -172.6 | 0 | 0 | 110.5 | | |
| 386 | F | 35.1 | Very low | 40.8 | Very low | 205 Ų | 205 | 143.2 Ų | 143.2 | 90% | 0.899 | 83% | 0.827 | S | S | * | * | | | trans | -152.5 | 149.9 | 154 | -94.9 | -75.1 | 0 | 0 | 0 | 108.5 | | |
| 387 | P | 46.9 | Very low | 40.2 | Very low | 114 Ų | 114 | 142.9 Ų | 142.9 | 74% | 0.74 | 82% | 0.824 | S | S | * | * | | | trans | -86.8 | 143.7 | -157.6 | 32.9 | -35 | 0 | 0 | 0 | 114.3 | | |
| 388 | S | 36.9 | Very low | 39.6 | Very low | 126 Ų | 126 | 142.4 Ų | 142.4 | 88% | 0.881 | 82% | 0.82 | S | S | * | * | | | trans | -90.5 | 119.6 | 169.9 | -174.8 | 0 | 0 | 0 | 0 | 110.6 | | |
| 389 | C | 40.6 | Very low | 39.7 | Very low | 119 Ų | 119 | 144.1 Ų | 144.1 | 80% | 0.804 | 82% | 0.823 | S | S | * | * | | | trans | -117.2 | 68 | -172.6 | 65 | 0 | 0 | 0 | 0 | 114 | | |
| 390 | M | 36.8 | Very low | 39.2 | Very low | 166 Ų | 166 | 143 Ų | 143 | 82% | 0.818 | 83% | 0.828 | S | S | * | * | | | trans | -150.2 | 164.9 | 156.5 | -83.8 | -138.4 | -68.9 | 0 | 0 | 111.5 | | |
| 391 | L | 42.5 | Very low | 38.4 | Very low | 164 Ų | 164 | 143 Ų | 143 | 86% | 0.859 | 83% | 0.827 | S | S | * | * | | | trans | 66.7 | 73.5 | 177.8 | -64 | 104.5 | 0 | 0 | 0 | 118.2 | | |
| 392 | K | 34.8 | Very low | 37.8 | Very low | 176 Ų | 176 | 141.5 Ų | 141.5 | 77% | 0.765 | 83% | 0.825 | S | S | * | * | | | trans | -151.3 | 113.4 | 137.5 | -155.9 | 95.3 | 176.8 | -168.6 | 0 | 112 | | |
| 393 | R | 35 | Very low | 37.6 | Very low | 254 Ų | 254 | 141.7 Ų | 141.7 | 96% | 0.958 | 83% | 0.826 | S | S | * | * | | | trans | -136.2 | 116.4 | 152.7 | -87.5 | -166.4 | 169.8 | -117.6 | -3.7 | 108.2 | | |
| 394 | Q | 37.2 | Very low | 37.5 | Very low | 159 Ų | 159 | 137.6 Ų | 137.6 | 74% | 0.743 | 82% | 0.819 | S | S | * | * | P | Polyproline II helix | trans | -83.7 | 134 | 179.1 | -155.6 | 79.3 | 23.1 | 0 | 0 | 108.8 | | |
| 395 | G | 34.3 | Very low | 37.4 | Very low | 62 Ų | 62 | 136.3 Ų | 136.3 | 64% | 0.639 | 82% | 0.823 | S | S | * | * | P | Polyproline II helix | trans | -90.3 | 145 | 169.6 | 0 | 0 | 0 | 0 | 0 | 111.6 | | |
| 396 | P | 48.3 | Very low | 37.1 | Very low | 133 Ų | 133 | 133 Ų | 133 | 86% | 0.864 | 82% | 0.82 | S | S | * | * | P | Polyproline II helix | trans | -80.1 | 171.5 | 171.3 | 34.2 | -34.6 | 0 | 0 | 0 | 112.4 | | |
| 397 | A | 33.2 | Very low | 37.2 | Very low | 101 Ų | 101 | 127.6 Ų | 127.6 | 84% | 0.835 | 81% | 0.813 | S | S | * | * | P | Polyproline II helix | trans | -75.6 | 161.9 | -168 | 0 | 0 | 0 | 0 | 0 | 115.6 | | |
| 398 | A | 37.4 | Very low | 36.5 | Very low | 91 Ų | 91 | 129.2 Ų | 129.2 | 75% | 0.752 | 82% | 0.821 | S | S | * | * | P | Polyproline II helix | trans | -88.8 | 169.4 | 168.3 | 0 | 0 | 0 | 0 | 0 | 112.1 | | |
| 399 | P | 47.9 | Very low | 36.4 | Very low | 130 Ų | 130 | 128.4 Ų | 128.4 | 84% | 0.844 | 82% | 0.815 | S | S | * | * | | | trans | -118.2 | 167.9 | 138 | 36.1 | -30.5 | 0 | 0 | 0 | 112.7 | | |
| 400 | A | 33.3 | Very low | 37.2 | Very low | 105 Ų | 105 | 128.4 Ų | 128.4 | 87% | 0.868 | 81% | 0.814 | S | S | * | * | | | trans | -81.7 | 160 | -162 | 0 | 0 | 0 | 0 | 0 | 116.7 | | |
| 401 | A | 32.2 | Very low | 36.9 | Very low | 102 Ų | 102 | 125.7 Ų | 125.7 | 84% | 0.843 | 81% | 0.811 | S | S | * | * | | | trans | -144.9 | 159 | 154.1 | 0 | 0 | 0 | 0 | 0 | 110 | | |
| 402 | V | 33.7 | Very low | 36.5 | Very low | 140 Ų | 140 | 124.2 Ų | 124.2 | 85% | 0.848 | 81% | 0.809 | S | S | * | * | | | trans | -110.1 | 163.2 | -168.9 | -73.5 | 0 | 0 | 0 | 0 | 114 | | |
| 403 | S | 33.2 | Very low | 36.5 | Very low | 107 Ų | 107 | 120 Ų | 120 | 75% | 0.748 | 81% | 0.807 | S | S | * | * | | | trans | 125.8 | 115.2 | 162.2 | -56 | 0 | 0 | 0 | 0 | 111 | | |
| 404 | S | 33.4 | Very low | 37.1 | Very low | 113 Ų | 113 | 114.1 Ų | 114.1 | 79% | 0.79 | 80% | 0.801 | S | S | * | * | | | cis | 85.1 | 102.3 | 43.5 | 78.6 | 0 | 0 | 0 | 0 | 114.9 | | |
| 405 | A | 33.2 | Very low | 37 | Very low | 112 Ų | 112 | 111 Ų | 111 | 93% | 0.926 | 80% | 0.803 | S | S | * | * | | | trans | -173.2 | 159.4 | 148.2 | 0 | 0 | 0 | 0 | 0 | 110 | | |
| 406 | S | 33.4 | Very low | 36.9 | Very low | 115 Ų | 115 | 120 Ų | 120 | 80% | 0.804 | 82% | 0.818 | S | S | * | * | | | trans | -137.6 | 147.6 | -176.6 | 52.9 | 0 | 0 | 0 | 0 | 113.5 | | |
| 407 | A | 37 | Very low | 36.7 | Very low | 91 Ų | 91 | 119.8 Ų | 119.8 | 75% | 0.752 | 82% | 0.82 | S | S | * | * | | | trans | 45.5 | 123.9 | 154.1 | 0 | 0 | 0 | 0 | 0 | 121.1 | | |
| 408 | T | 32.9 | Very low | 36.7 | Very low | 147 Ų | 147 | 118.1 Ų | 118.1 | 90% | 0.902 | 81% | 0.812 | S | S | * | * | | | | -165.6 | 158.1 | 127.5 | 9 | 0 | 0 | 0 | 0 | 112.8 | | |
| 409 | S | 34.5 | Very low | 36.5 | Very low | 109 Ų | 109 | 118.7 Ų | 118.7 | 76% | 0.762 | 82% | 0.817 | S | S | * | * | | | trans | -135.6 | 179.1 | 170 | -45.9 | 0 | 0 | 0 | 0 | 106.8 | | |
| 410 | P | 57.9 | Low | 36.2 | Very low | 120 Ų | 120 | 120.4 Ų | 120.4 | 78% | 0.779 | 82% | 0.818 | S | S | * | * | | | cis | -136.5 | -168 | -3.6 | 39.8 | -20.6 | 0 | 0 | 0 | 114.2 | | |
| 411 | S | 30.1 | Very low | 36.4 | Very low | 108 Ų | 108 | 121.5 Ų | 121.5 | 76% | 0.755 | 81% | 0.81 | S | S | * | * | | | trans | 121.5 | 157.6 | 133.3 | -151.7 | 0 | 0 | 0 | 0 | 119 | | |
| 412 | V | 34.4 | Very low | 37.1 | Very low | 134 Ų | 134 | 127.3 Ų | 127.3 | 81% | 0.812 | 81% | 0.809 | S | S | * | * | | | trans | 70.1 | 116.7 | 170.4 | -168.6 | 0 | 0 | 0 | 0 | 117.9 | | |
| 413 | A | 34.9 | Very low | 37.7 | Very low | 87 Ų | 87 | 127 Ų | 127 | 72% | 0.719 | 80% | 0.799 | S | S | * | * | | | trans | -105.2 | 168.1 | 160.7 | 0 | 0 | 0 | 0 | 0 | 109.6 | | |
| 414 | P | 45.8 | Very low | 38.5 | Very low | 130 Ų | 130 | 130.3 Ų | 130.3 | 84% | 0.844 | 80% | 0.802 | S | S | * | * | | | | -141.8 | 174.8 | 84.3 | 37.1 | -20.8 | 0 | 0 | 0 | 115.2 | | |
| 415 | A | 35.9 | Very low | 39 | Very low | 94 Ų | 94 | 129.8 Ų | 129.8 | 78% | 0.777 | 79% | 0.79 | S | S | * | * | | | trans | -63.5 | 150.2 | -168.5 | 0 | 0 | 0 | 0 | 0 | 116.5 | | |
| 416 | R | 32 | Very low | 40.1 | Very low | 250 Ų | 250 | 127 Ų | 127 | 94% | 0.943 | 77% | 0.765 | S | S | * | * | | | trans | -134.5 | 127.2 | 146.5 | -76.2 | -167.6 | 170.6 | -174.8 | -2.8 | 110.1 | | |
| 417 | S | 44.9 | Very low | 41.4 | Very low | 130 Ų | 130 | 126.8 Ų | 126.8 | 91% | 0.909 | 76% | 0.76 | S | S | * | * | | | trans | -71.9 | 139 | 174.4 | -48.3 | 0 | 0 | 0 | 0 | 110.5 | | |
| 418 | G | 33.5 | Very low | 42.5 | Very low | 66 Ų | 66 | 126 Ų | 126 | 68% | 0.68 | 75% | 0.746 | S | S | * | * | | | trans | 159.5 | 55.6 | -179.8 | 0 | 0 | 0 | 0 | 0 | 114 | L420 | G418-L420 PolarHBondContact O-N 3.45Å; G418-L420 VanDerWaalsContact O-N 3.12Å |
| 419 | A | 32 | Very low | 44 | Very low | 103 Ų | 103 | 121.2 Ų | 121.2 | 85% | 0.851 | 72% | 0.717 | S | S | * | * | | | trans | -69.3 | 106.1 | 169.7 | 0 | 0 | 0 | 0 | 0 | 109.3 | D421 | A419-D421 VanDerWaalsContact C-N 3.27Å; A419-D421 PolarHBondContact O-N 3.41Å |
| 420 | L | 42.5 | Very low | 45.6 | Very low | 166 Ų | 166 | 119.7 Ų | 119.7 | 87% | 0.869 | 71% | 0.706 | S | S | * | * | | | trans | -72.5 | 90.2 | 159.2 | -94.3 | 76.6 | 0 | 0 | 0 | 107.3 | G418 R422 | G418-L420 PolarHBondContact O-N 3.45Å; G418-L420 VanDerWaalsContact O-N 3.12Å; L420-R422 PolarHBondContact O-N 3.42Å; L420-R422 VanDerWaalsContact O-N 3.09Å |
| 421 | D | 36.7 | Very low | 46.1 | Very low | 128 Ų | 128 | 119 Ų | 119 | 68% | 0.684 | 70% | 0.695 | S | S | * | * | | | trans | -64.6 | 110.5 | 165.8 | -165.3 | -79.9 | 0 | 0 | 0 | 108.3 | A419 H423 | A419-D421 VanDerWaalsContact C-N 3.27Å; A419-D421 PolarHBondContact O-N 3.41Å; D421-H423 PolarHBondContact O-N 3.27Å; D421-H423 IonicContact OD1-CD2 3.63Å; D421-H423 PolarHBondContact OD1-N 2.64Å |
| 422 | R | 46.7 | Very low | 48.1 | Very low | 223 Ų | 223 | 121.1 Ų | 121.1 | 84% | 0.842 | 69% | 0.687 | S | S | * | * | | | trans | -88.8 | 63.5 | -175.7 | -164.3 | 176.3 | -174.9 | 133.6 | 4 | 109.3 | L420 Q424 | L420-R422 PolarHBondContact O-N 3.42Å; L420-R422 VanDerWaalsContact O-N 3.09Å; R422-Q424 PolarHBondContact O-N 3.03Å; R422-Q424 VanDerWaalsContact O-N 3.07Å |
| 423 | H | 46.9 | Very low | 49.6 | Very low | 135 Ų | 135 | 120.1 Ų | 120.1 | 63% | 0.625 | 68% | 0.676 | S | S | * | * | | | trans | -55.1 | 112.6 | -173.7 | -151.3 | -105.5 | 0 | 0 | 0 | 110.8 | D421 D425 | D421-H423 PolarHBondContact O-N 3.27Å; D421-H423 IonicContact OD1-CD2 3.63Å; D421-H423 PolarHBondContact OD1-N 2.64Å; H423-D425 VanDerWaalsContact C-N 3.31Å; H423-D425 IonicContact CE1-OD1 2.84Å; H423-D425 IonicContact CG-OD1 3.59Å; H423-D425 IonicContact ND1-OD1 3.98Å; H423-D425 PolarHBondContact ND1-OD1 3.04Å; H423-D425 PolarHBondContact O-N 2.74Å |
| 424 | Q | 49 | Very low | 51.1 | Low | 176 Ų | 176 | 124.5 Ų | 124.5 | 82% | 0.822 | 68% | 0.675 | S | S | * | * | | | trans | -81.1 | 81.6 | 177.7 | -77.2 | -86.2 | 87.6 | 0 | 0 | 108.3 | R422 S426 | R422-Q424 PolarHBondContact O-N 3.03Å; R422-Q424 VanDerWaalsContact O-N 3.07Å; Q424-S426 PolarHBondContact O-N 3.45Å; Q424-S426 VanDerWaalsContact O-N 3.11Å |
| 425 | D | 44.5 | Very low | 52.4 | Low | 101 Ų | 101 | 122 Ų | 122 | 54% | 0.54 | 66% | 0.657 | S | S | . | * | | | trans | -59.2 | 117.3 | -175.1 | -81.6 | -33.6 | 0 | 0 | 0 | 112 | H423 | H423-D425 VanDerWaalsContact C-N 3.31Å; H423-D425 IonicContact CE1-OD1 2.84Å; H423-D425 IonicContact CG-OD1 3.59Å; H423-D425 IonicContact ND1-OD1 3.98Å; H423-D425 PolarHBondContact ND1-OD1 3.04Å; H423-D425 PolarHBondContact O-N 2.74Å |
| 426 | S | 56.3 | Low | 53.7 | Low | 55 Ų | 55 | 122 Ų | 122 | 39% | 0.385 | 64% | 0.644 | S | S | . | * | | | trans | -59.4 | 141.8 | 174.4 | 175.7 | 0 | 0 | 0 | 0 | 110.1 | Q424 V428 T429 S430 | Q424-S426 PolarHBondContact O-N 3.45Å; Q424-S426 VanDerWaalsContact O-N 3.11Å; S426-V428 PolarHBondContact O-N 2.87Å; S426-V428 PolarHBondContact OG-N 2.99Å; S426-T429 PolarHBondContact N-OG1 3.39Å; S426-T429 PolarHBondContact O-N 3.02Å; S426-T429 PolarHBondContact O-OG1 3.06Å; S426-S430 PolarHBondContact O-N 3.03Å |
| 427 | P | 60.3 | Low | 55 | Low | 109 Ų | 109 | 112.4 Ų | 112.4 | 71% | 0.708 | 62% | 0.622 | S | S | * | * | H | α-helix | trans | -57 | -20.2 | 175.1 | 23.3 | -33.9 | 0 | 0 | 0 | 112.9 | L431 | P427-L431 WeakPolarHBondContact O-CB 3.24Å; P427-L431 PolarHBondContact O-N 3.5Å |
| 428 | V | 60.8 | Low | 55.6 | Low | 74 Ų | 74 | 110.3 Ų | 110.3 | 45% | 0.448 | 60% | 0.604 | S | S | . | * | H | α-helix | trans | -77.1 | -34 | 175.7 | -173.2 | 0 | 0 | 0 | 0 | 113 | S426 R432 | S426-V428 PolarHBondContact O-N 2.87Å; S426-V428 PolarHBondContact OG-N 2.99Å; V428-R432 WeakPolarHBondContact O-CG 3.44Å; V428-R432 PolarHBondContact O-N 3.28Å |
| 429 | T | 64.1 | Low | 56.3 | Low | 48 Ų | 48 | 115.6 Ų | 115.6 | 29% | 0.294 | 61% | 0.608 | S | S | . | * | H | α-helix | trans | -77.3 | -39.2 | 176.1 | 47.2 | 0 | 0 | 0 | 0 | 111.2 | S426 L431 R432 N433 | S426-T429 PolarHBondContact N-OG1 3.39Å; S426-T429 PolarHBondContact O-N 3.02Å; S426-T429 PolarHBondContact O-OG1 3.06Å; T429-L431 VanDerWaalsContact C-N 3.3Å; T429-L431 PolarHBondContact O-N 3.22Å; T429-R432 PolarHBondContact O-N 3.39Å; T429-N433 PolarHBondContact O-N 3.22Å; T429-N433 PolarHBondContact O-OD1 3.09Å |
| 430 | S | 69.3 | Low | 57 | Low | 76 Ų | 76 | 118.2 Ų | 118.2 | 53% | 0.531 | 60% | 0.602 | S | S | . | * | H | α-helix | trans | -57.6 | -42.3 | 171.8 | -175.3 | 0 | 0 | 0 | 0 | 112.1 | S426 N433 W434 | S426-S430 PolarHBondContact O-N 3.03Å; S430-N433 PolarHBondContact O-N 3.49Å; S430-W434 PolarHBondContact O-N 3.2Å |
| 431 | L | 67.6 | Low | 56.8 | Low | 105 Ų | 105 | 115.3 Ų | 115.3 | 55% | 0.55 | 59% | 0.588 | S | S | . | * | H | α-helix | trans | -66.2 | -36.9 | 177.4 | -173.5 | 64 | 0 | 0 | 0 | 113.2 | P427 T429 W434 V435 | P427-L431 WeakPolarHBondContact O-CB 3.24Å; P427-L431 PolarHBondContact O-N 3.5Å; T429-L431 VanDerWaalsContact C-N 3.3Å; T429-L431 PolarHBondContact O-N 3.22Å; L431-W434 HydrophobicContact CD1-CE3 4.43Å; L431-W434 PolarHBondContact O-N 2.94Å; L431-V435 WeakPolarHBondContact O-CG2 3.5Å; L431-V435 PolarHBondContact O-N 2.96Å |
| 432 | R | 71.1 | Confident | 57.5 | Low | 154 Ų | 154 | 114.2 Ų | 114.2 | 58% | 0.581 | 59% | 0.588 | S | S | * | * | H | α-helix | trans | -64.9 | -51.8 | 175.1 | -74.4 | 171.2 | 178.2 | 155.2 | 0.4 | 111 | V428 T429 W434 V435 D436 | V428-R432 WeakPolarHBondContact O-CG 3.44Å; V428-R432 PolarHBondContact O-N 3.28Å; T429-R432 PolarHBondContact O-N 3.39Å; R432-W434 PolarHBondContact O-N 3.4Å; R432-W434 VanDerWaalsContact O-N 3.09Å; R432-V435 PolarHBondContact O-N 2.95Å; R432-D436 PolarHBondContact O-N 3.41Å |
| 433 | N | 65.9 | Low | 57.5 | Low | 112 Ų | 112 | 110.1 Ų | 110.1 | 60% | 0.599 | 58% | 0.581 | S | S | * | * | H | α-helix | trans | -56.7 | -30.4 | 176.5 | -66.3 | 0.3 | 0 | 0 | 0 | 112.6 | T429 S430 G437 | T429-N433 PolarHBondContact O-N 3.22Å; T429-N433 PolarHBondContact O-OD1 3.09Å; S430-N433 PolarHBondContact O-N 3.49Å; N433-G437 WeakPolarHBondContact O-CA 3.48Å; N433-G437 PolarHBondContact O-N 3.11Å |
| 434 | W | 67.9 | Low | 57.6 | Low | 180 Ų | 180 | 110.9 Ų | 110.9 | 68% | 0.682 | 59% | 0.589 | S | S | * | * | H | α-helix | trans | -73.6 | -45.1 | 173 | -173.5 | 78 | 0 | 0 | 0 | 113.2 | S430 L431 R432 G437 V438 | S430-W434 PolarHBondContact O-N 3.2Å; L431-W434 HydrophobicContact CD1-CE3 4.43Å; L431-W434 PolarHBondContact O-N 2.94Å; R432-W434 PolarHBondContact O-N 3.4Å; R432-W434 VanDerWaalsContact O-N 3.09Å; W434-G437 PolarHBondContact O-N 3.45Å; W434-V438 WeakPolarHBondContact O-CG2 3.31Å; W434-V438 PolarHBondContact O-N 3.06Å |
| 435 | V | 72.1 | Confident | 57.6 | Low | 77 Ų | 77 | 112.7 Ų | 112.7 | 47% | 0.467 | 59% | 0.588 | S | S | . | * | H | α-helix | trans | -63.8 | -46.4 | 177.5 | 169.7 | 0 | 0 | 0 | 0 | 111.4 | L431 R432 G437 V438 | L431-V435 WeakPolarHBondContact O-CG2 3.5Å; L431-V435 PolarHBondContact O-N 2.96Å; R432-V435 PolarHBondContact O-N 2.95Å; V435-G437 VanDerWaalsContact C-N 3.34Å; V435-V438 PolarHBondContact O-N 3.38Å |
| 436 | D | 62.7 | Low | 57.6 | Low | 95 Ų | 95 | 116.2 Ų | 116.2 | 51% | 0.508 | 60% | 0.601 | S | S | . | * | H | α-helix | trans | -70.8 | -32.7 | 179.9 | -59.5 | -39.3 | 0 | 0 | 0 | 111.3 | R432 V438 F439 | R432-D436 PolarHBondContact O-N 3.41Å; D436-V438 VanDerWaalsContact C-N 3.32Å; D436-V438 PolarHBondContact O-N 3.4Å; D436-F439 PolarHBondContact O-N 3.39Å |
| 437 | G | 60.8 | Low | 56.8 | Low | 47 Ų | 47 | 118.2 Ų | 118.2 | 49% | 0.485 | 62% | 0.615 | S | S | . | * | H | α-helix | trans | -67.6 | -23.7 | 176.2 | 0 | 0 | 0 | 0 | 0 | 115 | N433 W434 V435 F439 | N433-G437 WeakPolarHBondContact O-CA 3.48Å; N433-G437 PolarHBondContact O-N 3.11Å; W434-G437 PolarHBondContact O-N 3.45Å; V435-G437 VanDerWaalsContact C-N 3.34Å; G437-F439 PolarHBondContact O-N 3.26Å |
| 438 | V | 57.8 | Low | 56.3 | Low | 87 Ų | 87 | 119 Ų | 119 | 53% | 0.527 | 62% | 0.618 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -70 | -18.3 | 179 | 165.3 | 0 | 0 | 0 | 0 | 112.9 | W434 V435 D436 | W434-V438 WeakPolarHBondContact O-CG2 3.31Å; W434-V438 PolarHBondContact O-N 3.06Å; V435-V438 PolarHBondContact O-N 3.38Å; D436-V438 VanDerWaalsContact C-N 3.32Å; D436-V438 PolarHBondContact O-N 3.4Å |
| 439 | F | 47 | Very low | 55.6 | Low | 177 Ų | 177 | 122.5 Ų | 122.5 | 78% | 0.776 | 63% | 0.633 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -117.5 | 5.9 | -178.1 | -70.5 | -79.4 | 0 | 0 | 0 | 114.9 | D436 G437 | D436-F439 PolarHBondContact O-N 3.39Å; G437-F439 PolarHBondContact O-N 3.26Å |
| 440 | H | 46.9 | Very low | 54.7 | Low | 157 Ų | 157 | 126.7 Ų | 126.7 | 73% | 0.727 | 65% | 0.654 | S | S | * | * | | | trans | -122.4 | 53.5 | -177.7 | -73.8 | -32.8 | 0 | 0 | 0 | 113.7 | P442 | H440-P442 WeakPolarHBondContact O-CD 3.18Š|
| 441 | D | 38.5 | Very low | 53.5 | Low | 105 Ų | 105 | 130.1 Ų | 130.1 | 56% | 0.561 | 66% | 0.662 | S | S | * | * | | | trans | -86.8 | 113 | 162.1 | -165.7 | -25.1 | 0 | 0 | 0 | 109.8 | I443 | D441-I443 PolarHBondContact O-N 3.19Å; D441-I443 WeakPolarHBondContact OD1-CD1 3.35Å; D441-I443 VanDerWaalsContact OD1-CG1 3.31Å; D441-I443 WeakPolarHBondContact OD1-CG1 3.49Å; D441-I443 PolarHBondContact OD1-N 3.31Å |
| 442 | P | 51.8 | Low | 52.5 | Low | 105 Ų | 105 | 128.5 Ų | 128.5 | 68% | 0.682 | 66% | 0.664 | S | S | * | * | G | 310 helix | trans | -70.8 | -10.3 | -173 | 28.6 | -35.4 | 0 | 0 | 0 | 114.2 | H440 L444 R445 | H440-P442 WeakPolarHBondContact O-CD 3.18Å; P442-L444 VanDerWaalsContact C-N 3.27Å; P442-L444 PolarHBondContact O-N 3.45Å; P442-R445 PolarHBondContact O-N 2.84Å |
| 443 | I | 47.1 | Very low | 50.9 | Low | 137 Ų | 137 | 130.9 Ų | 130.9 | 70% | 0.703 | 67% | 0.673 | S | S | * | * | G | 310 helix | trans | -67.1 | -25.1 | -171.5 | -62.8 | 172.7 | 0 | 0 | 0 | 112.5 | D441 R445 | D441-I443 PolarHBondContact O-N 3.19Å; D441-I443 WeakPolarHBondContact OD1-CD1 3.35Å; D441-I443 VanDerWaalsContact OD1-CG1 3.31Å; D441-I443 WeakPolarHBondContact OD1-CG1 3.49Å; D441-I443 PolarHBondContact OD1-N 3.31Å; I443-R445 VanDerWaalsContact C-N 3.34Å; I443-R445 PolarHBondContact O-N 3.03Å |
| 444 | L | 48.2 | Very low | 49.9 | Very low | 151 Ų | 151 | 129.1 Ų | 129.1 | 79% | 0.791 | 67% | 0.674 | S | S | * | * | G | 310 helix | trans | -86.4 | 8.6 | -177.6 | -64.2 | 176.4 | 0 | 0 | 0 | 115 | P442 H446 | P442-L444 VanDerWaalsContact C-N 3.27Å; P442-L444 PolarHBondContact O-N 3.45Å; L444-H446 VanDerWaalsContact C-N 3.31Å; L444-H446 PolarHBondContact O-N 2.9Å |
| 445 | R | 48.5 | Very low | 48.9 | Very low | 215 Ų | 215 | 125.6 Ų | 125.6 | 81% | 0.811 | 67% | 0.672 | S | S | * | * | G | 310 helix | trans | -79.1 | -1.8 | -179.4 | -96.4 | -76.7 | 157.8 | 91.2 | -4.8 | 115.8 | P442 I443 | P442-R445 PolarHBondContact O-N 2.84Å; I443-R445 VanDerWaalsContact C-N 3.34Å; I443-R445 PolarHBondContact O-N 3.03Å |
| 446 | H | 44.2 | Very low | 47.6 | Very low | 174 Ų | 174 | 125.7 Ų | 125.7 | 81% | 0.806 | 68% | 0.681 | S | S | * | * | | | trans | -119.6 | 85.3 | 175.8 | -68.8 | -78.9 | 0 | 0 | 0 | 112.5 | L444 | L444-H446 VanDerWaalsContact C-N 3.31Å; L444-H446 PolarHBondContact O-N 2.9Å |
| 447 | S | 39.8 | Very low | 46.6 | Very low | 98 Ų | 98 | 129.9 Ų | 129.9 | 69% | 0.685 | 70% | 0.695 | S | S | * | * | | | trans | -147.5 | 72.9 | 165.8 | -81.5 | 0 | 0 | 0 | 0 | 111 | L449 | S447-L449 PolarHBondContact O-N 3.05Š|
| 448 | T | 50.8 | Low | 45.7 | Very low | 126 Ų | 126 | 131 Ų | 131 | 77% | 0.773 | 71% | 0.707 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -70.4 | 8.7 | 175.5 | 41.2 | 0 | 0 | 0 | 0 | 114 | N450 | T448-N450 PolarHBondContact O-N 3.07Š|
| 449 | L | 45.2 | Very low | 44.9 | Very low | 146 Ų | 146 | 131.4 Ų | 131.4 | 76% | 0.764 | 72% | 0.719 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -65 | -36.2 | -176.5 | -156.2 | 86.3 | 0 | 0 | 0 | 113.4 | S447 Q451 A452 | S447-L449 PolarHBondContact O-N 3.05Å; L449-Q451 VanDerWaalsContact C-N 3.29Å; L449-Q451 PolarHBondContact O-N 3.39Å; L449-A452 PolarHBondContact O-N 3.14Å |
| 450 | N | 46 | Very low | 44.7 | Very low | 136 Ų | 136 | 130.6 Ų | 130.6 | 73% | 0.727 | 72% | 0.722 | S | S | * | * | H | α-helix | trans | -75.2 | -13 | -174.5 | -80 | -19.3 | 0 | 0 | 0 | 114.5 | T448 | T448-N450 PolarHBondContact O-N 3.07Å |
| 451 | Q | 44.3 | Very low | 44.3 | Very low | 148 Ų | 148 | 130.5 Ų | 130.5 | 69% | 0.692 | 73% | 0.726 | S | S | * | * | H | α-helix | trans | -81.7 | -18.6 | 178.9 | -157.7 | 152.5 | 12.9 | 0 | 0 | 112.8 | L449 T455 | L449-Q451 VanDerWaalsContact C-N 3.29Å; L449-Q451 PolarHBondContact O-N 3.39Å; Q451-T455 PolarHBondContact O-OG1 3.09Å |
| 452 | A | 45.3 | Very low | 44.2 | Very low | 72 Ų | 72 | 132.4 Ų | 132.4 | 60% | 0.595 | 74% | 0.736 | S | S | * | * | H | α-helix | trans | -71.7 | -43.5 | 173 | 0 | 0 | 0 | 0 | 0 | 112.3 | L449 T455 A456 | L449-A452 PolarHBondContact O-N 3.14Å; A452-T455 PolarHBondContact O-N 3.28Å; A452-A456 PolarHBondContact O-N 2.78Å |
| 453 | W | 38.6 | Very low | 43.9 | Very low | 203 Ų | 203 | 132.6 Ų | 132.6 | 77% | 0.769 | 74% | 0.737 | S | S | * | * | H | α-helix | trans | -66.5 | -39.9 | -177.3 | -175.2 | -89.8 | 0 | 0 | 0 | 112.9 | T455 A456 | W453-T455 VanDerWaalsContact C-N 3.28Å; W453-T455 PolarHBondContact O-N 3.19Å; W453-A456 PolarHBondContact O-N 3.05Å |
| 454 | A | 44 | Very low | 43.3 | Very low | 76 Ų | 76 | 129.7 Ų | 129.7 | 63% | 0.628 | 74% | 0.741 | S | S | * | * | H | α-helix | trans | -63.5 | -33.2 | 178.9 | 0 | 0 | 0 | 0 | 0 | 113 | | |
| 455 | T | 46.9 | Very low | 43.3 | Very low | 105 Ų | 105 | 128.2 Ų | 128.2 | 64% | 0.644 | 74% | 0.741 | S | S | * | * | H | α-helix | trans | -80.2 | -18.5 | -177 | -44.7 | 0 | 0 | 0 | 0 | 112.4 | Q451 A452 W453 K457 | Q451-T455 PolarHBondContact O-OG1 3.09Å; A452-T455 PolarHBondContact O-N 3.28Å; W453-T455 VanDerWaalsContact C-N 3.28Å; W453-T455 PolarHBondContact O-N 3.19Å; T455-K457 VanDerWaalsContact C-N 3.35Å; T455-K457 PolarHBondContact O-N 3.12Å |
| 456 | A | 45 | Very low | 42.7 | Very low | 79 Ų | 79 | 126.6 Ų | 126.6 | 65% | 0.653 | 75% | 0.747 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -84 | 3 | -174.5 | 0 | 0 | 0 | 0 | 0 | 115.4 | A452 W453 | A452-A456 PolarHBondContact O-N 2.78Å; W453-A456 PolarHBondContact O-N 3.05Å |
| 457 | K | 41.9 | Very low | 42.1 | Very low | 183 Ų | 183 | 121.7 Ų | 121.7 | 80% | 0.796 | 74% | 0.743 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -128.7 | 17.6 | 179.3 | -73.3 | -156.8 | 171.9 | -164.1 | 0 | 115.2 | T455 | T455-K457 VanDerWaalsContact C-N 3.35Å; T455-K457 PolarHBondContact O-N 3.12Å |
| 458 | G | 41.6 | Very low | 42.1 | Very low | 71 Ų | 71 | 129.2 Ų | 129.2 | 73% | 0.732 | 76% | 0.757 | S | S | * | * | S | Bend | trans | -113 | 12.2 | 176.6 | 0 | 0 | 0 | 0 | 0 | 115.3 | | |
| 459 | A | 41.3 | Very low | 41.3 | Very low | 95 Ų | 95 | 127.8 Ų | 127.8 | 79% | 0.785 | 75% | 0.752 | S | S | * | * | | | trans | -127.3 | 54 | -169.2 | 0 | 0 | 0 | 0 | 0 | 112.9 | | |
| 460 | L | 42.5 | Very low | 40.8 | Very low | 160 Ų | 160 | 129.1 Ų | 129.1 | 84% | 0.838 | 76% | 0.759 | S | S | * | * | S | Bend | trans | -153.2 | 130.8 | 166.4 | -166.2 | 72.2 | 0 | 0 | 0 | 107.4 | | |
| 461 | L | 39.8 | Very low | 40.1 | Very low | 155 Ų | 155 | 125.8 Ų | 125.8 | 81% | 0.812 | 76% | 0.757 | S | S | * | * | S | Bend | trans | 67.5 | 136.6 | -154.8 | -42.2 | 172.7 | 0 | 0 | 0 | 110.8 | | |
| 462 | D | 35.5 | Very low | 39.7 | Very low | 146 Ų | 146 | 124.2 Ų | 124.2 | 78% | 0.781 | 77% | 0.769 | S | S | * | * | | | cis | -142.4 | -163.8 | -1.1 | -140.6 | 11 | 0 | 0 | 0 | 109.1 | | |
| 463 | P | 45.4 | Very low | 39.1 | Very low | 108 Ų | 108 | 124.4 Ų | 124.4 | 70% | 0.701 | 78% | 0.778 | S | S | * | * | | | trans | -95.5 | 163.6 | -154.9 | 8 | 16.5 | 0 | 0 | 0 | 113.9 | | |
| 464 | G | 34.2 | Very low | 38.9 | Very low | 76 Ų | 76 | 119 Ų | 119 | 78% | 0.784 | 78% | 0.776 | S | S | * | * | | | trans | -82.5 | 159.4 | 174 | 0 | 0 | 0 | 0 | 0 | 114.1 | | |
| 465 | P | 48.5 | Very low | 38.7 | Very low | 121 Ų | 121 | 123.5 Ų | 123.5 | 79% | 0.786 | 79% | 0.79 | S | S | * | * | | | trans | -132.2 | 121.5 | 141.1 | 35.2 | -24.2 | 0 | 0 | 0 | 114.5 | | |
| 466 | L | 35.9 | Very low | 38.1 | Very low | 181 Ų | 181 | 124 Ų | 124 | 95% | 0.948 | 79% | 0.792 | S | S | * | * | | | trans | 33.7 | 83.3 | 135.2 | -61.7 | 172.4 | 0 | 0 | 0 | 121.1 | | |
| 467 | G | 32.4 | Very low | 37.9 | Very low | 70 Ų | 70 | 128.2 Ų | 128.2 | 72% | 0.722 | 80% | 0.803 | S | S | * | * | | | | 79.4 | 178 | 113.8 | 0 | 0 | 0 | 0 | 0 | 121.9 | | |
| 468 | R | 38.2 | Very low | 37.7 | Very low | 256 Ų | 256 | 124.8 Ų | 124.8 | 97% | 0.966 | 80% | 0.798 | S | S | * | * | | | trans | 73.7 | 147 | -172.4 | -54.2 | 177.7 | -179.7 | -128.4 | 0.3 | 115.4 | | |
| 469 | S | 35.5 | Very low | 37.4 | Very low | 97 Ų | 97 | 125.6 Ų | 125.6 | 68% | 0.678 | 80% | 0.798 | S | S | * | * | | | cis | -169.6 | 151.9 | -28.7 | -163.1 | 0 | 0 | 0 | 0 | 110 | | |
| 470 | L | 34 | Very low | 37.9 | Very low | 174 Ų | 174 | 126.1 Ų | 126.1 | 91% | 0.911 | 79% | 0.793 | S | S | * | * | | | trans | 64.4 | 149.9 | 168.4 | -60.9 | 143.1 | 0 | 0 | 0 | 116.5 | | |
| 471 | G | 31.9 | Very low | 37.6 | Very low | 65 Ų | 65 | 126.5 Ų | 126.5 | 67% | 0.67 | 80% | 0.795 | S | S | * | * | | | cis | 176.3 | 171 | -5.8 | 0 | 0 | 0 | 0 | 0 | 112.5 | | |
| 472 | A | 34.7 | Very low | 37.2 | Very low | 115 Ų | 115 | 123.7 Ų | 123.7 | 95% | 0.95 | 79% | 0.794 | S | S | * | * | | | trans | 64.4 | 152 | -176.2 | 0 | 0 | 0 | 0 | 0 | 116 | | |
| 473 | G | 33 | Very low | 37.2 | Very low | 76 Ų | 76 | 128.2 Ų | 128.2 | 78% | 0.784 | 80% | 0.8 | S | S | * | * | | | cis | -150.3 | 161.1 | -3.6 | 0 | 0 | 0 | 0 | 0 | 111.1 | | |
| 474 | A | 35.3 | Very low | 36.6 | Very low | 89 Ų | 89 | 127.7 Ų | 127.7 | 74% | 0.736 | 81% | 0.806 | S | S | * | * | | | trans | -85.6 | 155.9 | -168 | 0 | 0 | 0 | 0 | 0 | 114.6 | | |
| 475 | N | 38.6 | Very low | 36.5 | Very low | 171 Ų | 171 | 133.7 Ų | 133.7 | 91% | 0.914 | 81% | 0.81 | S | S | * | * | | | trans | -154.5 | 141.3 | 132.7 | -98 | -44.5 | 0 | 0 | 0 | 109.9 | | |
| 476 | V | 35.4 | Very low | 37.3 | Very low | 115 Ų | 115 | 132.9 Ų | 132.9 | 70% | 0.697 | 81% | 0.805 | S | S | * | * | | | trans | -140.5 | 126.9 | -170.2 | 176.3 | 0 | 0 | 0 | 0 | 111.1 | | |
| 477 | L | 41.2 | Very low | 38.1 | Very low | 168 Ų | 168 | 130.2 Ų | 130.2 | 88% | 0.88 | 80% | 0.798 | S | S | * | * | | | trans | -141.9 | 107.1 | 155.4 | -66.2 | 174.9 | 0 | 0 | 0 | 105.5 | | |
| 478 | T | 36.8 | Very low | 38.1 | Very low | 111 Ų | 111 | 131.6 Ų | 131.6 | 68% | 0.681 | 80% | 0.803 | S | S | * | * | | | | 63.3 | 84.4 | 72.9 | -51.1 | 0 | 0 | 0 | 0 | 110.5 | | |
| 479 | A | 36 | Very low | 38.1 | Very low | 88 Ų | 88 | 123.9 Ų | 123.9 | 73% | 0.727 | 79% | 0.794 | S | S | * | * | | | | 83.7 | 160.6 | 67.3 | 0 | 0 | 0 | 0 | 0 | 113.6 | | |
| 480 | P | 51 | Low | 38.8 | Very low | 107 Ų | 107 | 124.2 Ų | 124.2 | 70% | 0.695 | 79% | 0.794 | S | S | * | * | | | cis | -142.1 | -174.9 | -40.4 | 39.5 | -22.4 | 0 | 0 | 0 | 114.9 | | |
| 481 | L | 35.3 | Very low | 38.9 | Very low | 168 Ų | 168 | 123.7 Ų | 123.7 | 88% | 0.88 | 79% | 0.787 | S | S | * | * | | | trans | 68.5 | 161.9 | 157 | -101.8 | 70.7 | 0 | 0 | 0 | 117.6 | | |
| 482 | A | 33 | Very low | 38.9 | Very low | 96 Ų | 96 | 127 Ų | 127 | 79% | 0.793 | 79% | 0.79 | S | S | * | * | | | cis | -148.3 | -176.3 | -4.3 | 0 | 0 | 0 | 0 | 0 | 111.9 | | |
| 483 | R | 35.7 | Very low | 39 | Very low | 240 Ų | 240 | 125.3 Ų | 125.3 | 91% | 0.906 | 78% | 0.775 | S | S | * | * | | | trans | -123.9 | 134.7 | -171.2 | 169.6 | -172 | -178.3 | 175.5 | 1.4 | 111.9 | | |
| 484 | A | 31.6 | Very low | 40 | Very low | 98 Ų | 98 | 127.5 Ų | 127.5 | 81% | 0.81 | 78% | 0.776 | S | S | * | * | | | trans | -153.3 | 162.8 | 168.6 | 0 | 0 | 0 | 0 | 0 | 112.2 | | |
| 485 | F | 33.2 | Very low | 40.3 | Very low | 201 Ų | 201 | 127.9 Ų | 127.9 | 88% | 0.882 | 78% | 0.779 | S | S | * | * | | | trans | -143.9 | -173.3 | -176.8 | -119.8 | -41.3 | 0 | 0 | 0 | 109.6 | | |
| 486 | P | 64.6 | Low | 40.3 | Very low | 104 Ų | 104 | 124.8 Ų | 124.8 | 68% | 0.675 | 78% | 0.777 | S | S | * | * | | | trans | -116.2 | 177.5 | -135.3 | 43.6 | -30 | 0 | 0 | 0 | 116.1 | | |
| 487 | P | 52 | Low | 40.2 | Very low | 125 Ų | 125 | 122.7 Ų | 122.7 | 81% | 0.812 | 78% | 0.779 | S | S | * | * | | | trans | -132.5 | 171.1 | 139 | 36.9 | -24.5 | 0 | 0 | 0 | 111.6 | | |
| 488 | A | 33.7 | Very low | 40.1 | Very low | 100 Ų | 100 | 119.9 Ų | 119.9 | 83% | 0.826 | 78% | 0.78 | S | S | * | * | | | cis | -164.2 | -179.3 | -23 | 0 | 0 | 0 | 0 | 0 | 108.6 | | |
| 489 | A | 36.9 | Very low | 40.2 | Very low | 94 Ų | 94 | 118.5 Ų | 118.5 | 78% | 0.777 | 78% | 0.779 | S | S | * | * | | | trans | -87.3 | -167.4 | 177.4 | 0 | 0 | 0 | 0 | 0 | 111.9 | | |
| 490 | P | 51.3 | Low | 40.5 | Very low | 104 Ų | 104 | 124 Ų | 124 | 68% | 0.675 | 78% | 0.781 | S | S | * | * | | | cis | -150.4 | -164.5 | 30.1 | 46.2 | -23.9 | 0 | 0 | 0 | 118.4 | | |
| 491 | Q | 35.8 | Very low | 39.9 | Very low | 163 Ų | 163 | 125 Ų | 125 | 76% | 0.762 | 78% | 0.777 | S | S | * | * | | | trans | 73.6 | 150.6 | 158.1 | -75.2 | 176.3 | -78.4 | 0 | 0 | 119.3 | | |
| 492 | D | 32.4 | Very low | 40.1 | Very low | 135 Ų | 135 | 123.4 Ų | 123.4 | 72% | 0.722 | 77% | 0.769 | S | S | * | * | | | cis | -150.8 | -178.8 | 1.1 | -129.5 | -33.1 | 0 | 0 | 0 | 114.5 | | |
| 493 | A | 36.4 | Very low | 40.3 | Very low | 79 Ų | 79 | 126.2 Ų | 126.2 | 65% | 0.653 | 77% | 0.77 | S | S | * | * | | | trans | -117.9 | -157.4 | 179.4 | 0 | 0 | 0 | 0 | 0 | 112 | | |
| 494 | P | 54.9 | Low | 40.3 | Very low | 121 Ų | 121 | 118.9 Ų | 118.9 | 79% | 0.786 | 76% | 0.76 | S | S | * | * | | | cis | -144.1 | -164.3 | -6.4 | 44.9 | -24.7 | 0 | 0 | 0 | 116.9 | | |
| 495 | A | 41 | Very low | 40.4 | Very low | 97 Ų | 97 | 122.3 Ų | 122.3 | 80% | 0.802 | 76% | 0.764 | S | S | * | * | | | trans | 71.9 | 156.2 | 153.7 | 0 | 0 | 0 | 0 | 0 | 120 | | |
| 496 | A | 37.8 | Very low | 41.9 | Very low | 106 Ų | 106 | 117.7 Ų | 117.7 | 88% | 0.876 | 75% | 0.754 | S | S | * | * | | | cis | -169.5 | 176 | -16.8 | 0 | 0 | 0 | 0 | 0 | 108.3 | | |
| 497 | G | 34.7 | Very low | 40.5 | Very low | 71 Ų | 71 | 122.7 Ų | 122.7 | 73% | 0.732 | 77% | 0.765 | S | S | * | * | | | cis | 160.9 | 168.7 | -5.2 | 0 | 0 | 0 | 0 | 0 | 112.6 | | |
| 498 | A | 38 | Very low | 39.8 | Very low | 109 Ų | 109 | 121.2 Ų | 121.2 | 90% | 0.901 | 76% | 0.764 | S | S | * | * | | | trans | 70.7 | 159.7 | 169.4 | 0 | 0 | 0 | 0 | 0 | 119.7 | | |
| 499 | A | 39.4 | Very low | 39.9 | Very low | 82 Ų | 82 | 120.3 Ų | 120.3 | 68% | 0.678 | 76% | 0.764 | S | S | * | * | | | cis | -174.6 | 179.2 | -28.7 | 0 | 0 | 0 | 0 | 0 | 111.7 | | |
| 500 | R | 41.8 | Very low | 39.9 | Very low | 203 Ų | 203 | 119.7 Ų | 119.7 | 77% | 0.766 | 77% | 0.767 | S | S | * | * | | | trans | 76.7 | 157.8 | 164.1 | -56.7 | -64.2 | 170.9 | 168.2 | -8.6 | 118.2 | | |
| 501 | E | 38.5 | Very low | 39.8 | Very low | 130 Ų | 130 | 124 Ų | 124 | 61% | 0.607 | 78% | 0.775 | S | S | * | * | | | cis | 172.5 | 163.1 | -35.8 | -113.2 | 165.2 | -133.7 | 0 | 0 | 108.5 | | |
| 502 | L | 39.3 | Very low | 41 | Very low | 134 Ų | 134 | 122 Ų | 122 | 70% | 0.702 | 78% | 0.776 | S | S | * | * | | | cis | -147.1 | 148.2 | 2.4 | -89.8 | 163.8 | 0 | 0 | 0 | 107.4 | | |
| 503 | L | 38.6 | Very low | 41.8 | Very low | 155 Ų | 155 | 124.4 Ų | 124.4 | 81% | 0.812 | 78% | 0.78 | S | S | * | * | | | | 78.7 | 140.3 | 78.6 | -127.6 | -178.4 | 0 | 0 | 0 | 118.2 | | |
| 504 | A | 33.8 | Very low | 42.2 | Very low | 86 Ų | 86 | 126.4 Ų | 126.4 | 71% | 0.711 | 79% | 0.789 | S | S | * | * | | | trans | 83.8 | 117.3 | 166.7 | 0 | 0 | 0 | 0 | 0 | 119.8 | | |
| 505 | L | 34.1 | Very low | 41.8 | Very low | 169 Ų | 169 | 129 Ų | 129 | 89% | 0.885 | 82% | 0.82 | S | S | * | * | | | cis | 73.8 | 148.8 | 49.7 | -150.4 | 76.2 | 0 | 0 | 0 | 114.3 | | |
| 506 | P | 64.8 | Low | 41.9 | Very low | 104 Ų | 104 | 130.6 Ų | 130.6 | 68% | 0.675 | 82% | 0.821 | S | S | * | * | | | | -132.4 | 179.1 | -57 | 42.9 | -28.9 | 0 | 0 | 0 | 115 | | |
| 507 | K | 34.9 | Very low | 42.1 | Very low | 209 Ų | 209 | 131.9 Ų | 131.9 | 91% | 0.909 | 82% | 0.818 | S | S | * | * | | | trans | -158.3 | 162.5 | 151.7 | -143.7 | 68.4 | 178.3 | -174.3 | 0 | 115.5 | | |
| 508 | A | 38.3 | Very low | 42.5 | Very low | 95 Ų | 95 | 135.3 Ų | 135.3 | 79% | 0.785 | 82% | 0.823 | S | S | * | * | | | trans | -68.7 | 174.1 | 175.3 | 0 | 0 | 0 | 0 | 0 | 113.5 | | |
| 509 | G | 35.3 | Very low | 42.8 | Very low | 80 Ų | 80 | 136.8 Ų | 136.8 | 83% | 0.825 | 82% | 0.818 | S | S | * | * | | | cis | 123.4 | 144 | 3 | 0 | 0 | 0 | 0 | 0 | 113 | | |
| 510 | G | 36.3 | Very low | 43 | Very low | 82 Ų | 82 | 140.3 Ų | 140.3 | 85% | 0.845 | 83% | 0.827 | S | S | * | * | | | trans | 156.2 | 158 | 177.8 | 0 | 0 | 0 | 0 | 0 | 115.1 | | |
| 511 | K | 48.9 | Very low | 43.1 | Very low | 195 Ų | 195 | 136.1 Ų | 136.1 | 85% | 0.848 | 83% | 0.831 | S | S | * | * | | | trans | -119.7 | 161.6 | 171 | -52.1 | 178.5 | -176.1 | 177.6 | 0 | 108.8 | | |
| 512 | P | 62.4 | Low | 43.4 | Very low | 121 Ų | 121 | 136.5 Ų | 136.5 | 79% | 0.786 | 85% | 0.847 | S | S | * | * | | | | -136.1 | 175.6 | 81.7 | 40.5 | -26.6 | 0 | 0 | 0 | 111.8 | | |
| 513 | F | 48.1 | Very low | 43.7 | Very low | 184 Ų | 184 | 136.7 Ų | 136.7 | 81% | 0.807 | 86% | 0.858 | S | S | * | * | | | cis | 83.5 | 138.9 | 23 | -126 | -77.5 | 0 | 0 | 0 | 116.4 | | |
| 514 | C | 46 | Very low | 44.1 | Very low | 122 Ų | 122 | 135.2 Ų | 135.2 | 82% | 0.824 | 86% | 0.862 | S | S | * | * | | | trans | 68.8 | 146.8 | -175.1 | -59.9 | 0 | 0 | 0 | 0 | 115.7 | | |
| 515 | A | 46.6 | Very low | 45.1 | Very low | 175 Ų | 175 | 139.6 Ų | 139.6 | 100% | 1.446 | 88% | 0.876 | S | S | * | * | | | cis | -135.3 | 0 | -3.4 | 0 | 0 | 0 | 0 | 0 | 110.4 | | |