| 1 | M | 43.9 | Very low | 43 | Very low | 218 Ų | 218 | 143.9 Ų | 143.9 | 100% | 1.074 | 86% | 0.858 | S | S | * | * | | | | 0 | 66.4 | 0 | -58.5 | 171.4 | 179.5 | 0 | 0 | 109.4 | | |
| 2 | E | 33.8 | Very low | 42.7 | Very low | 183 Ų | 183 | 141.7 Ų | 141.7 | 86% | 0.855 | 85% | 0.854 | S | S | * | * | | | cis | 73 | 134.5 | 31.9 | -67.5 | 162.8 | 105.8 | 0 | 0 | 116.1 | | |
| 3 | F | 45.4 | Very low | 42.5 | Very low | 208 Ų | 208 | 145.6 Ų | 145.6 | 91% | 0.912 | 86% | 0.858 | S | S | * | * | | | trans | -94.8 | 156.1 | 176 | -69.7 | -100.1 | 0 | 0 | 0 | 111.2 | | |
| 4 | P | 61.2 | Low | 43.2 | Very low | 128 Ų | 128 | 142.6 Ų | 142.6 | 83% | 0.831 | 84% | 0.844 | S | S | * | * | | | | -128.6 | 172.5 | 122.4 | 37.6 | -30.5 | 0 | 0 | 0 | 110.7 | | |
| 5 | G | 42.8 | Very low | 42.9 | Very low | 74 Ų | 74 | 143.6 Ų | 143.6 | 76% | 0.763 | 84% | 0.843 | S | S | * | * | | | cis | 173.8 | 151.4 | -2.7 | 0 | 0 | 0 | 0 | 0 | 109.3 | | |
| 6 | L | 44.8 | Very low | 43.4 | Very low | 180 Ų | 180 | 142.5 Ų | 142.5 | 94% | 0.942 | 84% | 0.842 | S | S | * | * | | | trans | -83 | 152.3 | -174.3 | -85.6 | 162.2 | 0 | 0 | 0 | 113.8 | | |
| 7 | G | 40.8 | Very low | 43.1 | Very low | 74 Ų | 74 | 145.3 Ų | 145.3 | 76% | 0.763 | 84% | 0.844 | S | S | * | * | | | trans | -149.5 | 130.9 | 165.1 | 0 | 0 | 0 | 0 | 0 | 110.3 | | |
| 8 | T | 44.7 | Very low | 42.9 | Very low | 123 Ų | 123 | 148.2 Ų | 148.2 | 76% | 0.755 | 85% | 0.845 | S | S | * | * | | | trans | -126.7 | -176.9 | -173.6 | 50.3 | 0 | 0 | 0 | 0 | 111.6 | | |
| 9 | L | 41.6 | Very low | 42.8 | Very low | 175 Ų | 175 | 147.2 Ų | 147.2 | 92% | 0.916 | 84% | 0.842 | S | S | * | * | | | trans | 83.7 | 134.9 | -171.6 | -50.7 | 167.4 | 0 | 0 | 0 | 113.9 | | |
| 10 | G | 37.4 | Very low | 42.7 | Very low | 65 Ų | 65 | 147.2 Ų | 147.2 | 67% | 0.67 | 84% | 0.839 | S | S | * | * | | | cis | 133.4 | 109.9 | -16.2 | 0 | 0 | 0 | 0 | 0 | 114.9 | | |
| 11 | T | 36.9 | Very low | 43 | Very low | 155 Ų | 155 | 146.2 Ų | 146.2 | 95% | 0.951 | 84% | 0.839 | S | S | * | * | | | trans | -174.9 | 152.7 | 153 | 10.3 | 0 | 0 | 0 | 0 | 109.5 | | |
| 12 | S | 38.8 | Very low | 42.8 | Very low | 117 Ų | 117 | 140 Ų | 140 | 82% | 0.818 | 82% | 0.822 | S | S | * | * | | | trans | -146.1 | 125.2 | 179.6 | 56.8 | 0 | 0 | 0 | 0 | 111.1 | | |
| 13 | E | 40 | Very low | 43.1 | Very low | 193 Ų | 193 | 139.2 Ų | 139.2 | 90% | 0.902 | 82% | 0.823 | S | S | * | * | P | Polyproline II helix | trans | -94.5 | 130.7 | 178.6 | -101.6 | -84.7 | 89.5 | 0 | 0 | 111.1 | | |
| 14 | P | 53.3 | Low | 42.7 | Very low | 103 Ų | 103 | 136.2 Ų | 136.2 | 67% | 0.669 | 82% | 0.821 | S | S | * | * | P | Polyproline II helix | trans | -98.3 | 163.1 | -175.8 | 37.5 | -34.4 | 0 | 0 | 0 | 114.7 | | |
| 15 | L | 38.4 | Very low | 41.4 | Very low | 158 Ų | 158 | 135.2 Ų | 135.2 | 83% | 0.827 | 82% | 0.817 | S | S | * | * | P | Polyproline II helix | trans | -67.8 | 149.1 | 170.3 | -90.2 | 81.1 | 0 | 0 | 0 | 112.4 | | |
| 16 | P | 50.2 | Low | 41 | Very low | 126 Ų | 126 | 137.3 Ų | 137.3 | 82% | 0.818 | 82% | 0.82 | S | S | * | * | P | Polyproline II helix | trans | -72.2 | 137.6 | 164.9 | 31.3 | -33.7 | 0 | 0 | 0 | 111.3 | | |
| 17 | Q | 38.2 | Very low | 40.6 | Very low | 190 Ų | 190 | 134.8 Ų | 134.8 | 89% | 0.888 | 81% | 0.813 | S | S | * | * | P | Polyproline II helix | trans | -99 | 160.2 | 168.6 | -70.4 | -172.8 | -15.2 | 0 | 0 | 111.2 | | |
| 18 | F | 40 | Very low | 41.2 | Very low | 197 Ų | 197 | 136.9 Ų | 136.9 | 86% | 0.864 | 81% | 0.813 | S | S | * | * | | | trans | -115.2 | 117.9 | -170.2 | -160.4 | -78.1 | 0 | 0 | 0 | 110 | | |
| 19 | V | 42 | Very low | 40.9 | Very low | 129 Ų | 129 | 139.5 Ų | 139.5 | 78% | 0.782 | 82% | 0.816 | S | S | * | * | | | trans | -147 | 136.3 | 176.7 | -74.6 | 0 | 0 | 0 | 0 | 111.9 | | |
| 20 | D | 39.3 | Very low | 40.7 | Very low | 147 Ų | 147 | 136.3 Ų | 136.3 | 79% | 0.786 | 81% | 0.808 | S | S | * | * | | | trans | -74.2 | 157.5 | 161.6 | -72.8 | -74.2 | 0 | 0 | 0 | 110.8 | | |
| 21 | P | 49.2 | Very low | 40.5 | Very low | 127 Ų | 127 | 136.7 Ų | 136.7 | 83% | 0.825 | 81% | 0.812 | S | S | * | * | | | | -142.7 | 171.3 | 112.2 | 38.5 | -25.8 | 0 | 0 | 0 | 114.4 | | |
| 22 | A | 39.7 | Very low | 40.5 | Very low | 88 Ų | 88 | 136 Ų | 136 | 73% | 0.727 | 81% | 0.808 | S | S | * | * | | | trans | -110.5 | 168.1 | -175.8 | 0 | 0 | 0 | 0 | 0 | 114.2 | | |
| 23 | L | 41.7 | Very low | 40.2 | Very low | 167 Ų | 167 | 140.3 Ų | 140.3 | 87% | 0.874 | 81% | 0.812 | S | S | * | * | | | trans | 75 | 125.9 | 167.3 | -55.5 | 173.4 | 0 | 0 | 0 | 118.7 | | |
| 24 | V | 35.8 | Very low | 40.2 | Very low | 145 Ų | 145 | 139.4 Ų | 139.4 | 88% | 0.879 | 81% | 0.806 | S | S | * | * | | | | -174.2 | 163.3 | 118.8 | 145.9 | 0 | 0 | 0 | 0 | 109.2 | | |
| 25 | S | 34.3 | Very low | 40.3 | Very low | 107 Ų | 107 | 140.2 Ų | 140.2 | 75% | 0.748 | 81% | 0.811 | S | S | * | * | | | trans | -123 | 152 | -169.6 | 177.5 | 0 | 0 | 0 | 0 | 113.4 | | |
| 26 | S | 35.3 | Very low | 40.2 | Very low | 117 Ų | 117 | 137.8 Ų | 137.8 | 82% | 0.818 | 81% | 0.807 | S | S | * | * | | | trans | -161.7 | 157.1 | 159.7 | -42.9 | 0 | 0 | 0 | 0 | 112.9 | | |
| 27 | T | 35.7 | Very low | 39.2 | Very low | 128 Ų | 128 | 135.4 Ų | 135.4 | 79% | 0.785 | 81% | 0.806 | S | S | * | * | | | trans | -104.2 | 167.2 | 174.6 | 51.7 | 0 | 0 | 0 | 0 | 112 | | |
| 28 | P | 53.7 | Low | 40.1 | Very low | 118 Ų | 118 | 132.1 Ų | 132.1 | 77% | 0.766 | 80% | 0.8 | S | S | * | * | | | | -132 | 167.8 | 84.8 | 12 | 13.1 | 0 | 0 | 0 | 112.9 | | |
| 29 | E | 37.3 | Very low | 39.8 | Very low | 178 Ų | 178 | 132.1 Ų | 132.1 | 83% | 0.832 | 80% | 0.803 | S | S | * | * | | | | 68.9 | 138.7 | 51.1 | -67.4 | -117.7 | 110.4 | 0 | 0 | 114.8 | | |
| 30 | S | 38 | Very low | 39.4 | Very low | 107 Ų | 107 | 129.2 Ų | 129.2 | 75% | 0.748 | 80% | 0.799 | S | S | * | * | | | cis | -167.1 | 177.6 | -2.4 | 51.7 | 0 | 0 | 0 | 0 | 113.3 | | |
| 31 | G | 33 | Very low | 39.4 | Very low | 73 Ų | 73 | 129.9 Ų | 129.9 | 75% | 0.753 | 80% | 0.802 | S | S | * | * | | | trans | 102.4 | 146.1 | 169.7 | 0 | 0 | 0 | 0 | 0 | 116.1 | | |
| 32 | V | 36.5 | Very low | 38.7 | Very low | 142 Ų | 142 | 130.7 Ų | 130.7 | 86% | 0.861 | 80% | 0.8 | S | S | * | * | | | cis | -148.4 | 129.7 | 0.8 | -85.9 | 0 | 0 | 0 | 0 | 108.9 | | |
| 33 | F | 34 | Very low | 38.5 | Very low | 207 Ų | 207 | 130.9 Ų | 130.9 | 91% | 0.908 | 80% | 0.801 | S | S | * | * | | | | 86.6 | 139 | 85 | -134.1 | -88.7 | 0 | 0 | 0 | 116.8 | | |
| 34 | F | 39.6 | Very low | 38.2 | Very low | 174 Ų | 174 | 127.5 Ų | 127.5 | 76% | 0.763 | 80% | 0.797 | S | S | * | * | | | trans | -107.7 | 160.9 | -164.1 | -85.6 | -87.3 | 0 | 0 | 0 | 114.3 | | |
| 35 | P | 54.1 | Low | 38.2 | Very low | 120 Ų | 120 | 125 Ų | 125 | 78% | 0.779 | 79% | 0.791 | S | S | * | * | | | | -137.9 | 158.1 | 80.6 | 32.2 | -12.4 | 0 | 0 | 0 | 113.9 | | |
| 36 | S | 36.7 | Very low | 38.2 | Very low | 107 Ų | 107 | 125.2 Ų | 125.2 | 75% | 0.748 | 79% | 0.793 | S | S | * | * | | | cis | 76.1 | 126.1 | 37.3 | -53.7 | 0 | 0 | 0 | 0 | 113.9 | | |
| 37 | G | 30.3 | Very low | 38.2 | Very low | 76 Ų | 76 | 124.4 Ų | 124.4 | 78% | 0.784 | 79% | 0.787 | S | S | * | * | | | cis | -168.8 | -150.4 | -2 | 0 | 0 | 0 | 0 | 0 | 108 | | |
| 38 | P | 55.6 | Low | 38.3 | Very low | 120 Ų | 120 | 124.5 Ų | 124.5 | 78% | 0.779 | 79% | 0.788 | S | S | * | * | | | cis | -136.3 | -167.1 | -11.4 | 41.3 | -20.8 | 0 | 0 | 0 | 114.7 | | |
| 39 | E | 34.8 | Very low | 37.8 | Very low | 197 Ų | 197 | 123 Ų | 123 | 92% | 0.921 | 79% | 0.786 | S | S | * | * | | | trans | 66 | 132.3 | 163.8 | -57.4 | -172.6 | 157.1 | 0 | 0 | 120 | | |
| 40 | G | 32.3 | Very low | 38 | Very low | 68 Ų | 68 | 120.8 Ų | 120.8 | 70% | 0.701 | 79% | 0.787 | S | S | * | * | | | cis | 175.7 | 159.6 | -9.7 | 0 | 0 | 0 | 0 | 0 | 113.7 | | |
| 41 | L | 39.9 | Very low | 38 | Very low | 162 Ų | 162 | 121.3 Ų | 121.3 | 85% | 0.848 | 79% | 0.79 | S | S | * | * | | | trans | 59.5 | 136.2 | 161.8 | -48.9 | 179.5 | 0 | 0 | 0 | 117.8 | | |
| 42 | D | 33.7 | Very low | 38.3 | Very low | 144 Ų | 144 | 125 Ų | 125 | 77% | 0.77 | 80% | 0.798 | S | S | * | * | | | cis | -156.3 | 166.4 | 14.7 | -122.8 | -34.9 | 0 | 0 | 0 | 113.8 | | |
| 43 | A | 37.4 | Very low | 38.2 | Very low | 91 Ų | 91 | 123.1 Ų | 123.1 | 75% | 0.752 | 80% | 0.798 | S | S | * | * | | | trans | 58.6 | 120.5 | 154.2 | 0 | 0 | 0 | 0 | 0 | 124.3 | | |
| 44 | A | 35 | Very low | 38.3 | Very low | 96 Ų | 96 | 120.3 Ų | 120.3 | 79% | 0.793 | 80% | 0.798 | S | S | * | * | | | trans | 79.7 | 82.4 | 132 | 0 | 0 | 0 | 0 | 0 | 123.2 | | |
| 45 | A | 35.4 | Very low | 37.9 | Very low | 92 Ų | 92 | 116.5 Ų | 116.5 | 76% | 0.76 | 80% | 0.798 | S | S | * | * | | | | 60.8 | 101.1 | 120.1 | 0 | 0 | 0 | 0 | 0 | 122.6 | | |
| 46 | S | 33.4 | Very low | 36.8 | Very low | 112 Ų | 112 | 115.5 Ų | 115.5 | 78% | 0.783 | 80% | 0.801 | S | S | * | * | | | | 48.6 | 89.5 | 120.6 | -52.3 | 0 | 0 | 0 | 0 | 121.8 | | |
| 47 | S | 36 | Very low | 36.5 | Very low | 100 Ų | 100 | 115.6 Ų | 115.6 | 70% | 0.699 | 81% | 0.808 | S | S | * | * | | | | 38.1 | 136.1 | 106.6 | 73.5 | 0 | 0 | 0 | 0 | 122.5 | | |
| 48 | T | 37.1 | Very low | 36.8 | Very low | 130 Ų | 130 | 117 Ų | 117 | 80% | 0.798 | 81% | 0.812 | S | S | * | * | | | trans | 89.6 | 104.4 | 140.4 | -52.8 | 0 | 0 | 0 | 0 | 120.3 | | |
| 49 | A | 43.6 | Very low | 36 | Very low | 88 Ų | 88 | 115.9 Ų | 115.9 | 73% | 0.727 | 81% | 0.813 | S | S | * | * | | | trans | 45.9 | 125.6 | 139.2 | 0 | 0 | 0 | 0 | 0 | 122.1 | | |
| 50 | P | 41.9 | Very low | 36.3 | Very low | 130 Ų | 130 | 115.2 Ų | 115.2 | 84% | 0.844 | 82% | 0.815 | S | S | * | * | P | Polyproline II helix | trans | -95.7 | 137.8 | 160.8 | 35.4 | -29.3 | 0 | 0 | 0 | 112.9 | | |
| 51 | S | 37.9 | Very low | 36.4 | Very low | 118 Ų | 118 | 116.6 Ų | 116.6 | 83% | 0.825 | 82% | 0.819 | S | S | * | * | P | Polyproline II helix | trans | -87.2 | 163.9 | 167.5 | -66.9 | 0 | 0 | 0 | 0 | 112 | A53 | S51-A53 PolarHBondContact O-N 2.61Š|
| 52 | T | 39.1 | Very low | 36.1 | Very low | 150 Ų | 150 | 119.7 Ų | 119.7 | 92% | 0.92 | 82% | 0.821 | S | S | * | * | P | Polyproline II helix | trans | -52 | 121.6 | -178.4 | 49.6 | 0 | 0 | 0 | 0 | 115.3 | | |
| 53 | A | 33.5 | Very low | 36.2 | Very low | 103 Ų | 103 | 123.3 Ų | 123.3 | 85% | 0.851 | 83% | 0.826 | S | S | * | * | | | trans | -150.3 | 136.9 | 157.1 | 0 | 0 | 0 | 0 | 0 | 111.8 | S51 | S51-A53 PolarHBondContact O-N 2.61Š|
| 54 | T | 36.2 | Very low | 36 | Very low | 149 Ų | 149 | 129.5 Ų | 129.5 | 91% | 0.914 | 83% | 0.83 | S | S | * | * | | | trans | -76.2 | 131.4 | -171.4 | -53.9 | 0 | 0 | 0 | 0 | 114.5 | | |
| 55 | A | 31.6 | Very low | 35.8 | Very low | 93 Ų | 93 | 130.2 Ų | 130.2 | 77% | 0.769 | 82% | 0.82 | S | S | * | * | | | trans | -172.2 | 153.9 | 140.1 | 0 | 0 | 0 | 0 | 0 | 113.8 | | |
| 56 | A | 30.6 | Very low | 35.8 | Very low | 100 Ų | 100 | 130 Ų | 130 | 83% | 0.826 | 82% | 0.818 | S | S | * | * | | | trans | 53.6 | 99.3 | 156.5 | 0 | 0 | 0 | 0 | 0 | 120.7 | | |
| 57 | A | 32.3 | Very low | 35.9 | Very low | 109 Ų | 109 | 134 Ų | 134 | 90% | 0.901 | 82% | 0.824 | S | S | * | * | | | trans | 173.9 | 62 | 131.2 | 0 | 0 | 0 | 0 | 0 | 112.5 | | |
| 58 | A | 36.6 | Very low | 35.8 | Very low | 106 Ų | 106 | 133.8 Ų | 133.8 | 88% | 0.876 | 83% | 0.829 | S | S | * | * | | | trans | -144.2 | 48.5 | -173.7 | 0 | 0 | 0 | 0 | 0 | 115.2 | | |
| 59 | A | 38.4 | Very low | 35.4 | Very low | 95 Ų | 95 | 137 Ų | 137 | 79% | 0.785 | 83% | 0.828 | S | S | * | * | | | trans | -159.5 | 94.5 | 169.5 | 0 | 0 | 0 | 0 | 0 | 112.5 | | |
| 60 | L | 39.4 | Very low | 35 | Very low | 184 Ų | 184 | 142.2 Ų | 142.2 | 96% | 0.963 | 83% | 0.829 | S | S | * | * | | | trans | 174.4 | 66.4 | 151.2 | -100 | 172.9 | 0 | 0 | 0 | 111.2 | | |
| 61 | A | 34.7 | Very low | 34.7 | Very low | 97 Ų | 97 | 145.1 Ų | 145.1 | 80% | 0.802 | 83% | 0.831 | S | S | * | * | | | trans | -158.7 | 59.9 | 175.4 | 0 | 0 | 0 | 0 | 0 | 113 | | |
| 62 | Y | 34.9 | Very low | 34.6 | Very low | 226 Ų | 226 | 144.8 Ų | 144.8 | 89% | 0.886 | 83% | 0.828 | S | S | * | * | | | trans | -139.3 | 91.7 | 172.3 | -107.4 | -80.6 | 0 | 0 | 0 | 111.5 | | |
| 63 | Y | 35.2 | Very low | 35 | Very low | 221 Ų | 221 | 142.8 Ų | 142.8 | 87% | 0.867 | 82% | 0.818 | S | S | * | * | | | trans | 153.3 | 117 | 141.4 | -100.3 | -78.5 | 0 | 0 | 0 | 110.9 | | |
| 64 | R | 32.8 | Very low | 35.2 | Very low | 220 Ų | 220 | 144.1 Ų | 144.1 | 83% | 0.83 | 82% | 0.815 | S | S | * | * | | | | -173.4 | 165.7 | 119.8 | -84.1 | -140.4 | 70.2 | 144.9 | 0.2 | 109.5 | | |
| 65 | D | 30.8 | Very low | 35.1 | Very low | 111 Ų | 111 | 146 Ų | 146 | 59% | 0.594 | 81% | 0.811 | S | S | * | * | | | trans | -24.2 | 144.1 | -178.3 | -56.7 | -90.5 | 0 | 0 | 0 | 118.3 | | |
| 66 | A | 35.9 | Very low | 35.1 | Very low | 87 Ų | 87 | 149.5 Ų | 149.5 | 72% | 0.719 | 81% | 0.811 | S | S | * | * | | | cis | 88.8 | 144.4 | 38.5 | 0 | 0 | 0 | 0 | 0 | 114.9 | | |
| 67 | E | 34.4 | Very low | 35.4 | Very low | 196 Ų | 196 | 150.7 Ų | 150.7 | 92% | 0.916 | 81% | 0.808 | S | S | * | * | | | trans | 59.6 | 116 | -175.8 | -59.2 | -147.9 | 109.7 | 0 | 0 | 119.1 | | |
| 68 | A | 33.9 | Very low | 35.4 | Very low | 96 Ų | 96 | 155.5 Ų | 155.5 | 79% | 0.793 | 81% | 0.805 | S | S | * | * | | | | 170.5 | 134.7 | 110.6 | 0 | 0 | 0 | 0 | 0 | 114.2 | | |
| 69 | Y | 30 | Very low | 35.6 | Very low | 198 Ų | 198 | 155.8 Ų | 155.8 | 78% | 0.776 | 80% | 0.797 | S | S | * | * | | | trans | 56.5 | 131.3 | 142.4 | -133.2 | -84.2 | 0 | 0 | 0 | 121.7 | | |
| 70 | R | 34.7 | Very low | 35.5 | Very low | 197 Ų | 197 | 158.9 Ų | 158.9 | 74% | 0.743 | 80% | 0.8 | S | S | * | * | | | cis | -157.4 | 155.4 | -25.5 | -99.6 | -168.1 | -162.1 | -152.6 | 1.7 | 107.7 | | |
| 71 | H | 36.7 | Very low | 35.3 | Very low | 192 Ų | 192 | 158.4 Ų | 158.4 | 89% | 0.889 | 80% | 0.797 | S | S | * | * | P | Polyproline II helix | trans | -90.2 | 148.8 | 168.2 | -79.7 | -83.6 | 0 | 0 | 0 | 113.1 | | |
| 72 | S | 34.3 | Very low | 35.2 | Very low | 110 Ų | 110 | 161.5 Ų | 161.5 | 77% | 0.769 | 80% | 0.8 | S | S | * | * | P | Polyproline II helix | trans | -78.8 | 138.5 | 175.6 | -176.6 | 0 | 0 | 0 | 0 | 111.8 | | |
| 73 | P | 48.2 | Very low | 35.2 | Very low | 108 Ų | 108 | 156.8 Ų | 156.8 | 70% | 0.701 | 80% | 0.799 | S | S | * | * | P | Polyproline II helix | trans | -80.7 | 133.4 | -176.5 | 31.5 | -34.4 | 0 | 0 | 0 | 113 | | |
| 74 | V | 36.8 | Very low | 35.1 | Very low | 131 Ų | 131 | 154.1 Ų | 154.1 | 79% | 0.794 | 80% | 0.797 | S | S | * | * | | | trans | -110.3 | 121.2 | 160.8 | 174.8 | 0 | 0 | 0 | 0 | 107.4 | Q76 | V74-Q76 PolarHBondContact O-N 3.18Š|
| 75 | F | 34.4 | Very low | 35.1 | Very low | 190 Ų | 190 | 152.4 Ų | 152.4 | 83% | 0.833 | 80% | 0.798 | S | S | * | * | | | trans | -63 | 122 | -179.9 | -84.6 | -96.9 | 0 | 0 | 0 | 111.5 | | |
| 76 | Q | 32.9 | Very low | 35 | Very low | 165 Ų | 165 | 150.6 Ų | 150.6 | 77% | 0.771 | 81% | 0.806 | S | S | * | * | | | trans | -117.3 | 129.6 | 156.5 | -66.7 | -171 | 1.4 | 0 | 0 | 107.9 | V74 | V74-Q76 PolarHBondContact O-N 3.18Š|
| 77 | V | 35.1 | Very low | 35.1 | Very low | 126 Ų | 126 | 154.2 Ų | 154.2 | 76% | 0.764 | 81% | 0.812 | S | S | * | * | | | trans | -121.9 | 106.5 | 174.6 | -179.5 | 0 | 0 | 0 | 0 | 108.3 | | |
| 78 | Y | 33 | Very low | 35.5 | Very low | 210 Ų | 210 | 150.6 Ų | 150.6 | 82% | 0.824 | 81% | 0.805 | S | S | * | * | | | trans | -102.9 | 126.3 | 162.6 | -88 | -85.1 | 0 | 0 | 0 | 108.3 | | |
| 79 | P | 41.2 | Very low | 35.3 | Very low | 112 Ų | 112 | 149.7 Ų | 149.7 | 73% | 0.727 | 81% | 0.805 | S | S | * | * | | | trans | -101.2 | 112.7 | 168.5 | 33.5 | -26 | 0 | 0 | 0 | 110.9 | | |
| 80 | L | 36.4 | Very low | 35.3 | Very low | 160 Ų | 160 | 144.3 Ų | 144.3 | 84% | 0.838 | 81% | 0.81 | S | S | * | * | | | trans | -149.7 | 110.2 | 163.4 | -79.5 | -176.6 | 0 | 0 | 0 | 110.7 | | |
| 81 | L | 34.3 | Very low | 35.1 | Very low | 173 Ų | 173 | 140.5 Ų | 140.5 | 91% | 0.906 | 81% | 0.813 | S | S | * | * | | | | -163.9 | 157.3 | 127.2 | -131.5 | 73.1 | 0 | 0 | 0 | 110.5 | | |
| 82 | N | 34.3 | Very low | 35.8 | Very low | 162 Ų | 162 | 136.6 Ų | 136.6 | 87% | 0.866 | 81% | 0.805 | S | S | * | * | | | trans | -92.3 | 150.6 | 174.4 | -78.2 | -3.6 | 0 | 0 | 0 | 111.4 | | |
| 83 | C | 34.2 | Very low | 35.6 | Very low | 128 Ų | 128 | 142 Ų | 142 | 87% | 0.865 | 81% | 0.81 | S | S | * | * | | | trans | -143.2 | 149.6 | 143.4 | 45.3 | 0 | 0 | 0 | 0 | 109.9 | | |
| 84 | M | 32.6 | Very low | 35 | Very low | 164 Ų | 164 | 139.8 Ų | 139.8 | 81% | 0.808 | 80% | 0.801 | S | S | * | * | | | trans | -76.6 | 166.2 | 167.7 | -75.7 | 160.2 | 48.5 | 0 | 0 | 108.6 | | |
| 85 | E | 32.3 | Very low | 34.9 | Very low | 184 Ų | 184 | 139.1 Ų | 139.1 | 86% | 0.86 | 80% | 0.802 | S | S | * | * | | | cis | -168.1 | 156.2 | 47.7 | -156.7 | 157 | 120.3 | 0 | 0 | 110.6 | | |
| 86 | G | 30.4 | Very low | 34.7 | Very low | 74 Ų | 74 | 142.1 Ų | 142.1 | 76% | 0.763 | 81% | 0.808 | S | S | * | * | | | trans | 148.1 | 99.4 | 175.8 | 0 | 0 | 0 | 0 | 0 | 116.1 | | |
| 87 | I | 37.3 | Very low | 34.6 | Very low | 163 Ų | 163 | 137.9 Ų | 137.9 | 84% | 0.836 | 80% | 0.801 | S | S | * | * | | | trans | -100.7 | 153.8 | 169.8 | -81.1 | -70.6 | 0 | 0 | 0 | 107.5 | | |
| 88 | P | 42.3 | Very low | 34.6 | Very low | 120 Ų | 120 | 142.7 Ų | 142.7 | 78% | 0.779 | 81% | 0.808 | S | S | * | * | | | cis | -134.5 | 173.1 | 23.3 | 36.8 | -17.9 | 0 | 0 | 0 | 117.8 | | |
| 89 | G | 29.6 | Very low | 34.5 | Very low | 76 Ų | 76 | 136.4 Ų | 136.4 | 78% | 0.784 | 81% | 0.807 | S | S | * | * | | | trans | 150.4 | 104.6 | 148 | 0 | 0 | 0 | 0 | 0 | 118.4 | | |
| 90 | G | 29.7 | Very low | 34.1 | Very low | 86 Ų | 86 | 140.1 Ų | 140.1 | 89% | 0.887 | 81% | 0.811 | S | S | * | * | | | trans | 76.1 | 86.4 | 145.7 | 0 | 0 | 0 | 0 | 0 | 120.2 | | |
| 91 | S | 32.3 | Very low | 34.1 | Very low | 116 Ų | 116 | 139 Ų | 139 | 81% | 0.811 | 81% | 0.811 | S | S | * | * | | | trans | -91.7 | 167.7 | 148.2 | -144.5 | 0 | 0 | 0 | 0 | 108.3 | | |
| 92 | P | 50.6 | Low | 34 | Very low | 111 Ų | 111 | 134.1 Ų | 134.1 | 72% | 0.721 | 80% | 0.803 | S | S | * | * | | | cis | -146.5 | 170.3 | 18.8 | 43.7 | -23.1 | 0 | 0 | 0 | 119.4 | | |
| 93 | Y | 29.7 | Very low | 33.9 | Very low | 222 Ų | 222 | 134.3 Ų | 134.3 | 87% | 0.871 | 80% | 0.803 | S | S | * | * | | | | 12.8 | 142.2 | 124 | -144.1 | -106.1 | 0 | 0 | 0 | 119 | | |
| 94 | A | 35.9 | Very low | 33.9 | Very low | 63 Ų | 63 | 137.9 Ų | 137.9 | 52% | 0.521 | 80% | 0.8 | S | S | . | * | | | cis | -172.6 | -174.4 | -15.1 | 0 | 0 | 0 | 0 | 0 | 110.5 | | |
| 95 | S | 35.1 | Very low | 34.7 | Very low | 117 Ų | 117 | 135.8 Ų | 135.8 | 82% | 0.818 | 80% | 0.798 | S | S | * | * | | | trans | 30.8 | 125.6 | 148.1 | -57.8 | 0 | 0 | 0 | 0 | 121.7 | | |
| 96 | W | 29 | Very low | 34.7 | Very low | 252 Ų | 252 | 130.8 Ų | 130.8 | 96% | 0.955 | 79% | 0.788 | S | S | * | * | | | trans | -134.3 | 159.9 | 154.8 | 63.5 | -83.8 | 0 | 0 | 0 | 111.7 | | |
| 97 | A | 31.7 | Very low | 34.8 | Very low | 76 Ų | 76 | 132.4 Ų | 132.4 | 63% | 0.628 | 79% | 0.788 | S | S | * | * | | | trans | -155.2 | 162.1 | -176 | 0 | 0 | 0 | 0 | 0 | 113 | | |
| 98 | Y | 34.2 | Very low | 34.6 | Very low | 228 Ų | 228 | 130.6 Ų | 130.6 | 89% | 0.894 | 79% | 0.785 | S | S | * | * | | | trans | 69 | 110.8 | 164.3 | -79.4 | -76.5 | 0 | 0 | 0 | 121.9 | | |
| 99 | G | 31.4 | Very low | 34.1 | Very low | 78 Ų | 78 | 131 Ų | 131 | 80% | 0.804 | 79% | 0.785 | S | S | * | * | | | trans | 75.2 | 176.8 | 134.2 | 0 | 0 | 0 | 0 | 0 | 119.8 | | |
| 100 | K | 33 | Very low | 34 | Very low | 189 Ų | 189 | 133 Ų | 133 | 82% | 0.822 | 79% | 0.785 | S | S | * | * | | | cis | -169.2 | 147.6 | -30.8 | -161.3 | -171.4 | 177.8 | -172.1 | 0 | 109.5 | | |
| 101 | T | 36.6 | Very low | 34.7 | Very low | 136 Ų | 136 | 134.8 Ų | 134.8 | 83% | 0.834 | 78% | 0.781 | S | S | * | * | | | trans | 67.8 | 156.3 | 174.6 | 72.9 | 0 | 0 | 0 | 0 | 116.5 | | |
| 102 | G | 32 | Very low | 34.5 | Very low | 72 Ų | 72 | 135.6 Ų | 135.6 | 74% | 0.742 | 78% | 0.782 | S | S | * | * | | | cis | -105.7 | -128 | -3.4 | 0 | 0 | 0 | 0 | 0 | 114.2 | | |
| 103 | L | 32.2 | Very low | 33.6 | Very low | 165 Ų | 165 | 139.7 Ų | 139.7 | 86% | 0.864 | 78% | 0.783 | S | S | * | * | | | cis | -163.9 | -162 | -12 | -129.5 | 175.5 | 0 | 0 | 0 | 111 | | |
| 104 | Y | 33.6 | Very low | 33.5 | Very low | 204 Ų | 204 | 135.5 Ų | 135.5 | 80% | 0.8 | 77% | 0.771 | S | S | * | * | | | trans | -146.6 | 163.7 | -178.4 | -99.2 | -86.3 | 0 | 0 | 0 | 110.3 | | |
| 105 | P | 50.9 | Low | 33.2 | Very low | 119 Ų | 119 | 139 Ų | 139 | 77% | 0.773 | 78% | 0.781 | S | S | * | * | | | cis | -117.9 | 166.1 | 47.3 | 7.6 | 18.6 | 0 | 0 | 0 | 114.7 | | |
| 106 | A | 31.3 | Very low | 33.1 | Very low | 79 Ų | 79 | 138 Ų | 138 | 65% | 0.653 | 77% | 0.774 | S | S | * | * | | | | 73.1 | 134.5 | 55.7 | 0 | 0 | 0 | 0 | 0 | 114.1 | | |
| 107 | S | 33.3 | Very low | 33.6 | Very low | 108 Ų | 108 | 131.7 Ų | 131.7 | 76% | 0.755 | 77% | 0.766 | S | S | * | * | | | cis | -159.2 | 157.7 | 7.8 | -112.7 | 0 | 0 | 0 | 0 | 115 | | |
| 108 | T | 31.4 | Very low | 34.3 | Very low | 125 Ų | 125 | 134.2 Ų | 134.2 | 77% | 0.767 | 78% | 0.776 | S | S | * | * | | | trans | 44.5 | 123.8 | 147.7 | -36.3 | 0 | 0 | 0 | 0 | 122.9 | | |
| 109 | V | 31.8 | Very low | 34.1 | Very low | 128 Ų | 128 | 132.9 Ų | 132.9 | 78% | 0.776 | 78% | 0.778 | S | S | * | * | | | | 171.2 | 137.1 | 116.4 | 155.6 | 0 | 0 | 0 | 0 | 110.3 | | |
| 110 | C | 28.3 | Very low | 33.9 | Very low | 118 Ų | 118 | 133.9 Ų | 133.9 | 80% | 0.797 | 78% | 0.779 | S | S | * | * | | | trans | -120.2 | 155.4 | 166.2 | -57.1 | 0 | 0 | 0 | 0 | 109.7 | | |
| 111 | P | 43.7 | Very low | 33.9 | Very low | 124 Ų | 124 | 128.7 Ų | 128.7 | 81% | 0.805 | 77% | 0.771 | S | S | * | * | | | | -130.2 | -161.9 | 122.2 | 38.6 | -31 | 0 | 0 | 0 | 112.2 | | |
| 112 | T | 29.1 | Very low | 33.7 | Very low | 134 Ų | 134 | 130.8 Ų | 130.8 | 82% | 0.822 | 77% | 0.771 | S | S | * | * | | | trans | -140.8 | 150.2 | -147.4 | -29.1 | 0 | 0 | 0 | 0 | 113.8 | | |
| 113 | R | 30.8 | Very low | 33.7 | Very low | 196 Ų | 196 | 134.6 Ų | 134.6 | 74% | 0.74 | 77% | 0.774 | S | S | * | * | | | trans | 87.4 | 137.4 | 141.9 | -154.9 | -179.8 | 167 | 102.6 | 14.8 | 119.4 | | |
| 114 | E | 27.8 | Very low | 34.6 | Very low | 134 Ų | 134 | 131.8 Ų | 131.8 | 63% | 0.626 | 77% | 0.766 | S | S | * | * | | | trans | 61.3 | 150.7 | 162.6 | -80.6 | 150 | 176.6 | 0 | 0 | 118.2 | | |
| 115 | D | 29.4 | Very low | 34.5 | Very low | 136 Ų | 136 | 129.8 Ų | 129.8 | 73% | 0.727 | 77% | 0.769 | S | S | * | * | | | cis | -137.5 | -161.9 | -0.9 | -146.9 | -51.8 | 0 | 0 | 0 | 111.7 | | |
| 116 | S | 33.8 | Very low | 33.6 | Very low | 97 Ų | 97 | 127.2 Ų | 127.2 | 68% | 0.678 | 76% | 0.764 | S | S | * | * | P | Polyproline II helix | trans | -95.4 | 145.4 | -159.2 | -48.4 | 0 | 0 | 0 | 0 | 114.3 | | |
| 117 | P | 39.1 | Very low | 33.7 | Very low | 120 Ų | 120 | 133.5 Ų | 133.5 | 78% | 0.779 | 78% | 0.777 | S | S | * | * | P | Polyproline II helix | trans | -93.8 | 138.1 | 172.4 | 34.9 | -31.9 | 0 | 0 | 0 | 113.1 | | |
| 118 | P | 45.9 | Very low | 33.6 | Very low | 128 Ų | 128 | 131.2 Ų | 131.2 | 83% | 0.831 | 77% | 0.77 | S | S | * | * | P | Polyproline II helix | trans | -82.8 | 155.3 | 162.9 | 33.8 | -32.6 | 0 | 0 | 0 | 111.8 | | |
| 119 | Q | 30.1 | Very low | 33.8 | Very low | 201 Ų | 201 | 131.1 Ų | 131.1 | 94% | 0.939 | 78% | 0.775 | S | S | * | * | P | Polyproline II helix | trans | -96.9 | 143.4 | -178.3 | -59.7 | -179.1 | -91.1 | 0 | 0 | 113.4 | | |
| 120 | A | 27.9 | Very low | 33.8 | Very low | 99 Ų | 99 | 131.8 Ų | 131.8 | 82% | 0.818 | 78% | 0.779 | S | S | * | * | | | trans | -166.8 | 147.3 | 154 | 0 | 0 | 0 | 0 | 0 | 108.2 | | |
| 121 | A | 32.5 | Very low | 34 | Very low | 79 Ų | 79 | 131.5 Ų | 131.5 | 65% | 0.653 | 78% | 0.779 | S | S | * | * | | | cis | -162.9 | -171.4 | -18.1 | 0 | 0 | 0 | 0 | 0 | 107.9 | | |
| 122 | E | 33.3 | Very low | 33.3 | Very low | 181 Ų | 181 | 134.8 Ų | 134.8 | 85% | 0.846 | 78% | 0.78 | S | S | * | * | | | trans | 64.2 | 102.7 | 163.6 | -43.3 | -50.7 | 75.1 | 0 | 0 | 120.3 | | |
| 123 | D | 32.3 | Very low | 33.5 | Very low | 152 Ų | 152 | 134.1 Ų | 134.1 | 81% | 0.813 | 77% | 0.771 | S | S | * | * | | | trans | -64.8 | 174.4 | 140.9 | -100.3 | -64.3 | 0 | 0 | 0 | 110.4 | | |
| 124 | P | 50 | Low | 33.6 | Very low | 106 Ų | 106 | 131.2 Ų | 131.2 | 69% | 0.688 | 77% | 0.766 | S | S | * | * | | | cis | -143.6 | 179.5 | 20.6 | 42.6 | -23.2 | 0 | 0 | 0 | 118.5 | | |
| 125 | D | 32.5 | Very low | 33.9 | Very low | 161 Ų | 161 | 130.6 Ų | 130.6 | 86% | 0.861 | 77% | 0.772 | S | S | * | * | | | trans | 73.3 | 160.6 | 147.3 | -118.3 | -55.8 | 0 | 0 | 0 | 120.4 | | |
| 126 | G | 31.6 | Very low | 34.1 | Very low | 65 Ų | 65 | 131.9 Ų | 131.9 | 67% | 0.67 | 78% | 0.778 | S | S | * | * | | | trans | 141.8 | 4 | 164.6 | 0 | 0 | 0 | 0 | 0 | 123 | | |
| 127 | K | 32.8 | Very low | 34.2 | Very low | 211 Ų | 211 | 134.2 Ų | 134.2 | 92% | 0.917 | 78% | 0.776 | S | S | * | * | | | trans | 44.9 | 103.8 | 149.7 | -170.2 | 177.8 | -174.8 | 173.5 | 0 | 120.6 | | |
| 128 | G | 30.7 | Very low | 33.9 | Very low | 60 Ų | 60 | 134.2 Ų | 134.2 | 62% | 0.619 | 77% | 0.774 | S | S | * | * | | | trans | -155 | 120.7 | 159.5 | 0 | 0 | 0 | 0 | 0 | 112.1 | | |
| 129 | S | 35.7 | Very low | 33.3 | Very low | 124 Ų | 124 | 134.5 Ų | 134.5 | 87% | 0.867 | 76% | 0.764 | S | S | * | * | | | | 70.6 | 91.8 | 77.9 | 70.8 | 0 | 0 | 0 | 0 | 114.4 | | |
| 130 | T | 31.9 | Very low | 33.4 | Very low | 141 Ų | 141 | 133.8 Ų | 133.8 | 87% | 0.865 | 75% | 0.752 | S | S | * | * | | | trans | -113.9 | 112.6 | 179.2 | 55.7 | 0 | 0 | 0 | 0 | 112.5 | | |
| 131 | S | 33.7 | Very low | 33.6 | Very low | 112 Ų | 112 | 136.4 Ų | 136.4 | 78% | 0.783 | 75% | 0.752 | S | S | * | * | | | trans | -158.9 | 170 | 166.6 | 60.2 | 0 | 0 | 0 | 0 | 110.2 | | |
| 132 | F | 28.5 | Very low | 33.4 | Very low | 193 Ų | 193 | 137.3 Ų | 137.3 | 85% | 0.846 | 75% | 0.753 | S | S | * | * | | | trans | 65.5 | 141 | -171 | -110.3 | -108.6 | 0 | 0 | 0 | 113.4 | | |
| 133 | L | 33.5 | Very low | 34.5 | Very low | 121 Ų | 121 | 133.9 Ų | 133.9 | 63% | 0.634 | 75% | 0.747 | S | S | * | * | | | cis | 150.9 | 122 | -18.9 | -106.4 | 172.7 | 0 | 0 | 0 | 105.2 | | |
| 134 | E | 31.8 | Very low | 34.3 | Very low | 135 Ų | 135 | 133.1 Ų | 133.1 | 63% | 0.631 | 74% | 0.743 | S | S | * | * | | | trans | 39.1 | 112.8 | 138.3 | -164.9 | 179 | 163.2 | 0 | 0 | 121.1 | K137 | E134-K137 IonicContact OE1-NZ 2.61Å; E134-K137 PolarHBondContact OE1-NZ 3.09Å |
| 135 | T | 34.4 | Very low | 33.4 | Very low | 120 Ų | 120 | 134.3 Ų | 134.3 | 74% | 0.736 | 74% | 0.743 | S | S | * | * | | | trans | -163.1 | 159.1 | 139.1 | 8.7 | 0 | 0 | 0 | 0 | 107.5 | | |
| 136 | L | 34.2 | Very low | 33.6 | Very low | 164 Ų | 164 | 133.9 Ų | 133.9 | 86% | 0.859 | 74% | 0.74 | S | S | * | * | | | cis | -142.8 | 164.1 | 44.5 | -75.4 | 162.8 | 0 | 0 | 0 | 113.8 | | |
| 137 | K | 34.9 | Very low | 33.5 | Very low | 146 Ų | 146 | 136.1 Ų | 136.1 | 64% | 0.635 | 74% | 0.74 | S | S | * | * | | | trans | -151.3 | 161.5 | -170 | -80.1 | 147.6 | 177 | 165.3 | 0 | 108.6 | E134 | E134-K137 IonicContact OE1-NZ 2.61Å; E134-K137 PolarHBondContact OE1-NZ 3.09Å |
| 138 | T | 34.2 | Very low | 33.5 | Very low | 120 Ų | 120 | 134.3 Ų | 134.3 | 74% | 0.736 | 74% | 0.74 | S | S | * | * | | | cis | -155.2 | -15.8 | 10.8 | -11.6 | 0 | 0 | 0 | 0 | 117.1 | | |
| 139 | E | 32.4 | Very low | 33.5 | Very low | 134 Ų | 134 | 134.9 Ų | 134.9 | 63% | 0.626 | 75% | 0.745 | S | S | * | * | | | trans | -109.1 | 160.4 | -148.3 | -72.2 | -73 | 101.9 | 0 | 0 | 114.7 | | |
| 140 | R | 32.1 | Very low | 34.6 | Very low | 185 Ų | 185 | 135.6 Ų | 135.6 | 70% | 0.698 | 75% | 0.747 | S | S | * | * | | | cis | 167.1 | 174.6 | -23.4 | -109 | -158.3 | 175.9 | 106.1 | -4.5 | 105.9 | | |
| 141 | L | 31.9 | Very low | 34.6 | Very low | 155 Ų | 155 | 133.9 Ų | 133.9 | 81% | 0.812 | 75% | 0.747 | S | S | * | * | | | cis | -144 | 178.6 | 37.6 | -73.8 | 160.7 | 0 | 0 | 0 | 112.9 | | |
| 142 | S | 29.8 | Very low | 34.5 | Very low | 97 Ų | 97 | 136.6 Ų | 136.6 | 68% | 0.678 | 75% | 0.752 | S | S | * | * | | | trans | -92.2 | -171.3 | -176.7 | -36.4 | 0 | 0 | 0 | 0 | 113.1 | | |
| 143 | P | 55.7 | Low | 35.5 | Very low | 109 Ų | 109 | 132 Ų | 132 | 71% | 0.708 | 74% | 0.742 | S | S | * | * | | | cis | -127.2 | -138.2 | -3 | 34.3 | -9.2 | 0 | 0 | 0 | 112 | | |
| 144 | D | 28.2 | Very low | 35.5 | Very low | 137 Ų | 137 | 131.7 Ų | 131.7 | 73% | 0.733 | 75% | 0.75 | S | S | * | * | | | cis | -168.8 | 174.2 | 1 | -124.5 | -5 | 0 | 0 | 0 | 107.2 | | |
| 145 | L | 31 | Very low | 35.6 | Very low | 130 Ų | 130 | 130.8 Ų | 130.8 | 68% | 0.681 | 76% | 0.758 | S | S | * | * | | | cis | -164.8 | -175.1 | -23.7 | -136.9 | 179.1 | 0 | 0 | 0 | 107.9 | | |
| 146 | L | 35.5 | Very low | 35.7 | Very low | 153 Ų | 153 | 132.6 Ų | 132.6 | 80% | 0.801 | 76% | 0.763 | S | S | * | * | | | trans | 69.2 | 167.7 | 170.7 | -53 | -177 | 0 | 0 | 0 | 118.4 | | |
| 147 | T | 29.6 | Very low | 36.3 | Very low | 111 Ų | 111 | 130.6 Ų | 130.6 | 68% | 0.681 | 76% | 0.76 | S | S | * | * | | | | -166.9 | 158.3 | -81.8 | -82 | 0 | 0 | 0 | 0 | 110.5 | | |
| 148 | L | 33.7 | Very low | 36.4 | Very low | 174 Ų | 174 | 129.3 Ų | 129.3 | 91% | 0.911 | 76% | 0.764 | S | S | * | * | | | trans | 73.5 | 158.5 | -175.2 | -44 | -177.6 | 0 | 0 | 0 | 115.1 | | |
| 149 | G | 30.5 | Very low | 37.1 | Very low | 71 Ų | 71 | 129.7 Ų | 129.7 | 73% | 0.732 | 77% | 0.768 | S | S | * | * | | | cis | 174.8 | 144.7 | -7.2 | 0 | 0 | 0 | 0 | 0 | 110.8 | | |
| 150 | P | 58.6 | Low | 37.2 | Very low | 140 Ų | 140 | 128.3 Ų | 128.3 | 91% | 0.909 | 77% | 0.773 | S | S | * | * | | | trans | -106.7 | 159.4 | -164.1 | 39.4 | -35.7 | 0 | 0 | 0 | 117.3 | | |
| 151 | A | 31.6 | Very low | 37.4 | Very low | 105 Ų | 105 | 125.2 Ų | 125.2 | 87% | 0.868 | 78% | 0.78 | S | S | * | * | | | trans | -154.9 | 162.7 | 168.3 | 0 | 0 | 0 | 0 | 0 | 114.7 | | |
| 152 | L | 31.5 | Very low | 37.7 | Very low | 168 Ų | 168 | 121.8 Ų | 121.8 | 88% | 0.88 | 77% | 0.774 | S | S | * | * | | | trans | -155.6 | 176.4 | -177.6 | -101 | 157.4 | 0 | 0 | 0 | 106.7 | | |
| 153 | P | 51.3 | Low | 38.1 | Very low | 98 Ų | 98 | 129.1 Ų | 129.1 | 64% | 0.636 | 79% | 0.789 | S | S | * | * | | | cis | -134.3 | -167.6 | -15.8 | 41.2 | -23.2 | 0 | 0 | 0 | 114.4 | | |
| 154 | S | 32.8 | Very low | 36.9 | Very low | 113 Ų | 113 | 127.5 Ų | 127.5 | 79% | 0.79 | 79% | 0.792 | S | S | * | * | | | trans | 70.5 | 158.4 | 150.7 | -67 | 0 | 0 | 0 | 0 | 119.4 | | |
| 155 | S | 33.5 | Very low | 37.1 | Very low | 117 Ų | 117 | 124.7 Ų | 124.7 | 82% | 0.818 | 80% | 0.795 | S | S | * | * | | | cis | -159.7 | 170 | -6.9 | 35.6 | 0 | 0 | 0 | 0 | 112.9 | | |
| 156 | L | 35.8 | Very low | 38.4 | Very low | 158 Ų | 158 | 124.5 Ų | 124.5 | 83% | 0.827 | 80% | 0.802 | S | S | * | * | | | trans | -69.5 | 174.1 | 170.9 | -71.6 | 174.9 | 0 | 0 | 0 | 112.9 | | |
| 157 | P | 46.8 | Very low | 38.4 | Very low | 122 Ų | 122 | 124 Ų | 124 | 79% | 0.792 | 80% | 0.8 | S | S | * | * | | | cis | -148.6 | -159.3 | 31.6 | 45.3 | -22.3 | 0 | 0 | 0 | 118.6 | | |
| 158 | V | 38.5 | Very low | 38.5 | Very low | 119 Ų | 119 | 127 Ų | 127 | 72% | 0.721 | 80% | 0.804 | S | S | * | * | | | trans | -116.2 | 158.3 | -172.4 | -176.7 | 0 | 0 | 0 | 0 | 111.2 | | |
| 159 | P | 49.4 | Very low | 38.7 | Very low | 128 Ų | 128 | 122.9 Ų | 122.9 | 83% | 0.831 | 79% | 0.789 | S | S | * | * | | | trans | -135.2 | 177.5 | 136.6 | 37.7 | -25.3 | 0 | 0 | 0 | 114.7 | | |
| 160 | S | 33.2 | Very low | 39 | Very low | 104 Ų | 104 | 124.1 Ų | 124.1 | 73% | 0.727 | 79% | 0.787 | S | S | * | * | | | trans | -125.6 | 179.8 | -155.9 | -51 | 0 | 0 | 0 | 0 | 115.5 | | |
| 161 | S | 37.3 | Very low | 37.9 | Very low | 121 Ų | 121 | 122.2 Ų | 122.2 | 85% | 0.846 | 77% | 0.773 | S | S | * | * | | | trans | 80.8 | 162.9 | 157.1 | 80.7 | 0 | 0 | 0 | 0 | 118.8 | | |
| 162 | A | 36.8 | Very low | 38.2 | Very low | 83 Ų | 83 | 125 Ų | 125 | 69% | 0.686 | 77% | 0.766 | S | S | * | * | | | cis | -176.6 | 141.2 | -38.8 | 0 | 0 | 0 | 0 | 0 | 109.6 | | |
| 163 | Y | 38.5 | Very low | 38.4 | Very low | 250 Ų | 250 | 125.9 Ų | 125.9 | 98% | 0.98 | 76% | 0.763 | S | S | * | * | | | trans | -168.5 | 164.6 | 162.6 | -100 | -70.7 | 0 | 0 | 0 | 109.7 | | |
| 164 | G | 31.3 | Very low | 38 | Very low | 76 Ų | 76 | 126.6 Ų | 126.6 | 78% | 0.784 | 77% | 0.77 | S | S | * | * | | | trans | 175.7 | -178.8 | 175.3 | 0 | 0 | 0 | 0 | 0 | 117.9 | | |
| 165 | G | 31 | Very low | 38.8 | Very low | 77 Ų | 77 | 127 Ų | 127 | 79% | 0.794 | 77% | 0.77 | S | S | * | * | | | trans | 81.6 | 169.9 | 174 | 0 | 0 | 0 | 0 | 0 | 116.4 | | |
| 166 | P | 58.9 | Low | 38.9 | Very low | 126 Ų | 126 | 128.1 Ų | 128.1 | 82% | 0.818 | 77% | 0.772 | S | S | * | * | | | cis | -134.9 | -167.8 | -12.8 | 45.8 | -29.4 | 0 | 0 | 0 | 112.1 | | |
| 167 | D | 34.8 | Very low | 38.8 | Very low | 143 Ų | 143 | 123.9 Ų | 123.9 | 77% | 0.765 | 77% | 0.766 | S | S | * | * | | | cis | -127.3 | -100.2 | -5.5 | -168.3 | 47.7 | 0 | 0 | 0 | 111.3 | | |
| 168 | F | 33.7 | Very low | 38.4 | Very low | 174 Ų | 174 | 123.7 Ų | 123.7 | 76% | 0.763 | 77% | 0.768 | S | S | * | * | | | cis | -160.2 | 127.4 | -9.5 | -174.2 | -120.3 | 0 | 0 | 0 | 114 | | |
| 169 | S | 36.8 | Very low | 39.2 | Very low | 87 Ų | 87 | 123 Ų | 123 | 61% | 0.608 | 77% | 0.766 | S | S | * | * | | | trans | 58.4 | 145.1 | 159 | -75.6 | 0 | 0 | 0 | 0 | 120.9 | | |
| 170 | S | 37.2 | Very low | 38.7 | Very low | 97 Ų | 97 | 124.3 Ų | 124.3 | 68% | 0.678 | 77% | 0.765 | S | S | * | * | | | cis | -148.7 | 149 | 1.9 | 77.2 | 0 | 0 | 0 | 0 | 114.1 | | |
| 171 | T | 35.6 | Very low | 38.8 | Very low | 101 Ų | 101 | 124.7 Ų | 124.7 | 62% | 0.62 | 77% | 0.768 | S | S | * | * | | | trans | 33 | 139.4 | 143.1 | 38.6 | 0 | 0 | 0 | 0 | 122.4 | | |
| 172 | F | 37.6 | Very low | 39 | Very low | 164 Ų | 164 | 124.9 Ų | 124.9 | 72% | 0.719 | 77% | 0.769 | S | S | * | * | | | cis | -157.4 | 154.2 | 31.1 | -96.8 | -60.3 | 0 | 0 | 0 | 114.4 | | |
| 173 | F | 35.8 | Very low | 39.1 | Very low | 186 Ų | 186 | 125.9 Ų | 125.9 | 82% | 0.816 | 78% | 0.777 | S | S | * | * | | | trans | 49 | 118.2 | 155 | -62.7 | -60.1 | 0 | 0 | 0 | 123.5 | | |
| 174 | S | 41.8 | Very low | 39 | Very low | 112 Ų | 112 | 118.6 Ų | 118.6 | 78% | 0.783 | 77% | 0.769 | S | S | * | * | | | trans | -126 | 163.6 | 142.3 | -55.4 | 0 | 0 | 0 | 0 | 107.8 | | |
| 175 | P | 50.3 | Low | 39.8 | Very low | 121 Ų | 121 | 126.3 Ų | 126.3 | 79% | 0.786 | 78% | 0.776 | S | S | * | * | | | | -144.8 | -172.4 | 86.8 | 36.6 | -15.2 | 0 | 0 | 0 | 111.6 | | |
| 176 | T | 36.8 | Very low | 40.1 | Very low | 141 Ų | 141 | 128.2 Ų | 128.2 | 87% | 0.865 | 78% | 0.778 | S | S | * | * | | | cis | -156.9 | 153.5 | 23.2 | -49.2 | 0 | 0 | 0 | 0 | 109.8 | | |
| 177 | G | 32.3 | Very low | 39.4 | Very low | 69 Ų | 69 | 127.4 Ų | 127.4 | 71% | 0.711 | 78% | 0.775 | S | S | * | * | | | trans | 131.6 | 76.2 | 157.6 | 0 | 0 | 0 | 0 | 0 | 117.4 | | |
| 178 | S | 39.1 | Very low | 40.1 | Very low | 118 Ų | 118 | 126.3 Ų | 126.3 | 83% | 0.825 | 78% | 0.776 | S | S | * | * | | | trans | -140.5 | 173.7 | 163.9 | -69.5 | 0 | 0 | 0 | 0 | 106.7 | | |
| 179 | P | 54.1 | Low | 40.8 | Very low | 106 Ų | 106 | 127.7 Ų | 127.7 | 69% | 0.688 | 78% | 0.781 | S | S | * | * | | | cis | -142.6 | -159.4 | 15.9 | 29.2 | -1.6 | 0 | 0 | 0 | 114.9 | | |
| 180 | L | 39.6 | Very low | 41.5 | Very low | 155 Ų | 155 | 130.9 Ų | 130.9 | 81% | 0.812 | 79% | 0.791 | S | S | * | * | | | trans | 79.6 | 144 | 160.5 | -48.3 | -178.8 | 0 | 0 | 0 | 117.1 | | |
| 181 | S | 35.3 | Very low | 42.3 | Very low | 112 Ų | 112 | 138.4 Ų | 138.4 | 78% | 0.783 | 80% | 0.804 | S | S | * | * | | | cis | -153.5 | 161.2 | -8.9 | -129.5 | 0 | 0 | 0 | 0 | 112.2 | | |
| 182 | S | 42.1 | Very low | 42.4 | Very low | 124 Ų | 124 | 136 Ų | 136 | 87% | 0.867 | 80% | 0.799 | S | S | * | * | | | trans | -111.6 | 110 | -179.9 | -63.5 | 0 | 0 | 0 | 0 | 112.6 | | |
| 183 | A | 38.3 | Very low | 43.2 | Very low | 104 Ų | 104 | 135.2 Ų | 135.2 | 86% | 0.86 | 81% | 0.808 | S | S | * | * | | | trans | -178.6 | 129.1 | 152.3 | 0 | 0 | 0 | 0 | 0 | 112.4 | | |
| 184 | A | 37.3 | Very low | 43.7 | Very low | 98 Ų | 98 | 133.2 Ų | 133.2 | 81% | 0.81 | 81% | 0.806 | S | S | * | * | | | | 174.2 | 130.2 | 129.6 | 0 | 0 | 0 | 0 | 0 | 111.6 | | |
| 185 | Y | 47.3 | Very low | 43.9 | Very low | 237 Ų | 237 | 133.8 Ų | 133.8 | 93% | 0.929 | 81% | 0.807 | S | S | * | * | | | trans | -74.7 | 128.4 | 160.7 | -86.6 | -113.1 | 0 | 0 | 0 | 109.5 | | |
| 186 | S | 37.5 | Very low | 43.7 | Very low | 118 Ų | 118 | 134.6 Ų | 134.6 | 83% | 0.825 | 80% | 0.803 | S | S | * | * | | | trans | -164.9 | 136.9 | 151.9 | -90.4 | 0 | 0 | 0 | 0 | 112.2 | | |
| 187 | S | 44.6 | Very low | 44.2 | Very low | 109 Ų | 109 | 132.7 Ų | 132.7 | 76% | 0.762 | 79% | 0.793 | S | S | * | * | | | trans | -83.3 | 128.6 | 178.9 | -63.6 | 0 | 0 | 0 | 0 | 111.5 | K189 | S187-K189 VanDerWaalsContact C-N 3.29Å; S187-K189 PolarHBondContact O-N 3.19Å |
| 188 | P | 49.9 | Very low | 44.8 | Very low | 120 Ų | 120 | 135.4 Ų | 135.4 | 78% | 0.779 | 80% | 0.799 | S | S | * | * | | | trans | -70.4 | 80.8 | 171.5 | -18.1 | 32.7 | 0 | 0 | 0 | 111.6 | L190 | P188-L190 HydrophobicContact CB-CG 4.44Å; P188-L190 PolarHBondContact O-N 3.39Å |
| 189 | K | 48.1 | Very low | 45.2 | Very low | 202 Ų | 202 | 134 Ų | 134 | 88% | 0.878 | 79% | 0.788 | S | S | * | * | | | trans | -79 | 49.5 | 179.3 | -157.8 | 166.9 | -173.3 | 172.2 | 0 | 111.9 | S187 R191 | S187-K189 VanDerWaalsContact C-N 3.29Å; S187-K189 PolarHBondContact O-N 3.19Å; K189-R191 PolarHBondContact O-N 3.03Å; K189-R191 VanDerWaalsContact O-N 3.12Å |
| 190 | L | 50.3 | Low | 45.5 | Very low | 154 Ų | 154 | 135.5 Ų | 135.5 | 81% | 0.806 | 79% | 0.786 | S | S | * | * | | | trans | -76.8 | 98.5 | -175.5 | -63 | -176 | 0 | 0 | 0 | 111.2 | P188 G192 | P188-L190 HydrophobicContact CB-CG 4.44Å; P188-L190 PolarHBondContact O-N 3.39Å; L190-G192 PolarHBondContact O-N 3.34Å |
| 191 | R | 53.7 | Low | 46.9 | Very low | 255 Ų | 255 | 131.4 Ų | 131.4 | 96% | 0.962 | 77% | 0.774 | S | S | * | * | | | trans | -68.4 | 73.3 | 153.5 | -84.6 | -171.4 | 167.9 | -170.9 | -1.5 | 109.3 | K189 | K189-R191 PolarHBondContact O-N 3.03Å; K189-R191 VanDerWaalsContact O-N 3.12Å |
| 192 | G | 39.5 | Very low | 49.4 | Very low | 50 Ų | 50 | 132 Ų | 132 | 52% | 0.515 | 76% | 0.759 | S | S | . | * | | | trans | -104.8 | 104.5 | 169.8 | 0 | 0 | 0 | 0 | 0 | 110 | L190 L194 | L190-G192 PolarHBondContact O-N 3.34Å; G192-L194 PolarHBondContact O-N 2.85Å |
| 193 | T | 53.2 | Low | 51.8 | Low | 148 Ų | 148 | 130.2 Ų | 130.2 | 91% | 0.908 | 74% | 0.737 | S | S | * | * | | | trans | -76.8 | 55.9 | 173.1 | -44.3 | 0 | 0 | 0 | 0 | 110.4 | | |
| 194 | L | 46.7 | Very low | 54.4 | Low | 145 Ų | 145 | 125.2 Ų | 125.2 | 76% | 0.759 | 70% | 0.696 | S | S | * | * | | | trans | -71.2 | 133.4 | 173 | -63.1 | -178.5 | 0 | 0 | 0 | 108.6 | G192 L196 | G192-L194 PolarHBondContact O-N 2.85Å; L194-L196 PolarHBondContact O-N 3.23Å |
| 195 | P | 46.2 | Very low | 57 | Low | 124 Ų | 124 | 124.5 Ų | 124.5 | 81% | 0.805 | 68% | 0.681 | S | S | * | * | | | trans | -57.2 | 115.7 | 166.6 | -21.4 | 33 | 0 | 0 | 0 | 108.4 | | |
| 196 | L | 45.8 | Very low | 59 | Low | 137 Ų | 137 | 114.2 Ų | 114.2 | 72% | 0.717 | 64% | 0.643 | S | S | * | * | | | trans | -53.1 | 137.3 | 169.6 | -71 | 167.3 | 0 | 0 | 0 | 108 | L194 | L194-L196 PolarHBondContact O-N 3.23Š|
| 197 | P | 46.4 | Very low | 61.5 | Low | 101 Ų | 101 | 110 Ų | 110 | 66% | 0.656 | 61% | 0.613 | S | S | * | * | | | trans | -52.7 | 138.6 | 174.4 | 25.2 | -34.5 | 0 | 0 | 0 | 107.7 | C199 | P197-C199 WeakPolarHBondContact O-CA 3.36Å; P197-C199 PolarHBondContact O-N 3.09Å; P197-C199 PolarHBondContact O-SG 3.11Å |
| 198 | P | 46.5 | Very low | 63.6 | Low | 127 Ų | 127 | 105.7 Ų | 105.7 | 83% | 0.825 | 59% | 0.585 | S | S | * | * | | | trans | -53.5 | 103.6 | -164.9 | 20.4 | -33.3 | 0 | 0 | 0 | 109 | E200 | P198-E200 PolarHBondContact O-N 3.27Š|
| 199 | C | 47.5 | Very low | 65.5 | Low | 89 Ų | 89 | 101.5 Ų | 101.5 | 60% | 0.601 | 56% | 0.561 | S | S | * | * | | | trans | -69.8 | 89.8 | -168.3 | -78.3 | 0 | 0 | 0 | 0 | 106.9 | P197 A201 | P197-C199 WeakPolarHBondContact O-CA 3.36Å; P197-C199 PolarHBondContact O-N 3.09Å; P197-C199 PolarHBondContact O-SG 3.11Å; C199-A201 WeakPolarHBondContact O-CA 3.44Å; C199-A201 PolarHBondContact O-N 3.24Å |
| 200 | E | 58.8 | Low | 67.6 | Low | 137 Ų | 137 | 96.4 Ų | 96.4 | 64% | 0.64 | 55% | 0.547 | S | S | * | . | | | trans | -45.9 | 106.3 | -165.8 | -178.3 | -164 | -145 | 0 | 0 | 108.5 | P198 R202 | P198-E200 PolarHBondContact O-N 3.27Å; E200-R202 VanDerWaalsContact C-N 3.28Å; E200-R202 WeakPolarHBondContact O-CD 3.49Å; E200-R202 PolarHBondContact O-N 2.95Å; E200-R202 PolarHBondContact O-NE 3.38Å; E200-R202 IonicContact OE2-CZ 2.71Å; E200-R202 IonicContact OE2-NE 3.22Å; E200-R202 PolarHBondContact OE2-NE 3.29Å; E200-R202 IonicContact OE2-NH2 2.72Å; E200-R202 PolarHBondContact OE2-NH2 3.43Å |
| 201 | A | 69.9 | Low | 69.5 | Low | 69 Ų | 69 | 92.9 Ų | 92.9 | 57% | 0.57 | 54% | 0.54 | S | S | * | . | | | trans | -78.6 | 81.9 | -148.8 | 0 | 0 | 0 | 0 | 0 | 110.7 | C199 E203 T210 | C199-A201 WeakPolarHBondContact O-CA 3.44Å; C199-A201 PolarHBondContact O-N 3.24Å; A201-E203 PolarHBondContact O-N 2.95Å; A201-T210 HydrophobicContact CB-CG2 4.37Å |
| 202 | R | 88.3 | Confident | 71.3 | Confident | 123 Ų | 123 | 82.3 Ų | 82.3 | 46% | 0.464 | 50% | 0.504 | S | S | . | . | | | trans | -52.5 | 110.2 | 173 | -68.7 | 103.9 | -155.9 | -170.5 | 0.6 | 106.9 | E200 W215 | E200-R202 VanDerWaalsContact C-N 3.28Å; E200-R202 WeakPolarHBondContact O-CD 3.49Å; E200-R202 PolarHBondContact O-N 2.95Å; E200-R202 PolarHBondContact O-NE 3.38Å; E200-R202 IonicContact OE2-CZ 2.71Å; E200-R202 IonicContact OE2-NE 3.22Å; E200-R202 PolarHBondContact OE2-NE 3.29Å; E200-R202 IonicContact OE2-NH2 2.72Å; E200-R202 PolarHBondContact OE2-NH2 3.43Å; R202-W215 HydrophobicContact CB-CH2 4.42Å; R202-W215 HydrophobicContact CB-CZ2 4.12Å; R202-W215 WeakPolarHBondContact O-CH2 3.28Å; R202-W215 WeakPolarHBondContact O-CZ2 3.33Å |
| 203 | E | 92.3 | Very high | 73.7 | Confident | 87 Ų | 87 | 85.8 Ų | 85.8 | 41% | 0.407 | 52% | 0.518 | S | S | . | . | | | trans | -105.6 | 143.3 | 177.5 | 62.8 | 154.6 | -138.6 | 0 | 0 | 110.3 | A201 V205 A209 T210 K245 | A201-E203 PolarHBondContact O-N 2.95Å; E203-V205 PolarHBondContact O-N 3Å; E203-A209 WeakPolarHBondContact CA-O 3.39Å; E203-T210 HydrophobicContact CB-CG2 4.36Å; E203-K245 IonicContact OE1-NZ 3.79Å; E203-K245 PolarHBondContact OE1-NZ 2.82Å; E203-K245 IonicContact OE2-NZ 3.89Å; E203-K245 PolarHBondContact OE2-NZ 3.12Å |
| 204 | C | 92.8 | Very high | 75.6 | Confident | 0 Ų | 0 | 82.8 Ų | 82.8 | 0% | 0 | 50% | 0.496 | C | S | . | . | | | trans | -64.5 | 120.3 | 172 | 175.1 | 0 | 0 | 0 | 0 | 110.1 | N206 C207 G208 A209 W215 Y223 C225 | C204-N206 PolarHBondContact O-N 3.46Å; C204-C207 PolarHBondContact O-N 3.2Å; C204-C207 VanDerWaalsContact SG-SG 3.64Å; C204-G208 VanDerWaalsContact O-CA 3.32Å; C204-G208 WeakPolarHBondContact O-CA 3.38Å; C204-G208 PolarHBondContact O-N 3.06Å; C204-A209 PolarHBondContact N-O 2.84Å; C204-W215 HydrophobicContact CB-CZ3 4.25Å; C204-Y223 WeakPolarHBondContact CA-O 3.45Å; C204-C225 HydrophobicContact CB-CB 3.91Å; C204-C225 PolarHBondContact SG-N 3.13Å |
| 205 | V | 91.4 | Very high | 77.9 | Confident | 82 Ų | 82 | 80.1 Ų | 80.1 | 50% | 0.497 | 48% | 0.475 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -61.7 | -21.4 | -177.8 | -60.3 | 0 | 0 | 0 | 0 | 113.9 | E203 H222 Y223 L224 | E203-V205 PolarHBondContact O-N 3Å; V205-H222 HydrophobicContact CG1-CB 4.06Å; V205-H222 HydrophobicContact CG2-CB 3.84Å; V205-Y223 PolarHBondContact N-O 3.42Å; V205-L224 HydrophobicContact CG2-CD2 3.67Å |
| 206 | N | 89.6 | Confident | 80.2 | Confident | 22 Ų | 22 | 78.3 Ų | 78.3 | 12% | 0.118 | 45% | 0.453 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -80.9 | -69.1 | 172.3 | 175.7 | -77.2 | 0 | 0 | 0 | 111.3 | C204 L224 C228 N238 R239 | C204-N206 PolarHBondContact O-N 3.46Å; N206-L224 HydrophobicContact CB-CD2 4.05Å; N206-C228 HydrophobicContact CB-CB 4.15Å; N206-C228 PolarHBondContact OD1-SG 3.48Å; N206-C228 VanDerWaalsContact OD1-SG 3.34Å; N206-N238 WeakPolarHBondContact ND2-CB 3.29Å; N206-N238 PolarHBondContact ND2-OD1 3.08Å; N206-R239 PolarHBondContact ND2-N 3.12Å; N206-R239 PolarHBondContact ND2-O 3.44Å |
| 207 | C | 89.2 | Confident | 82.5 | Confident | 29 Ų | 29 | 79.8 Ų | 79.8 | 20% | 0.196 | 45% | 0.448 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -95 | -14.8 | -168 | 71.3 | 0 | 0 | 0 | 0 | 115.5 | C204 A209 C225 L241 | C204-C207 PolarHBondContact O-N 3.2Å; C204-C207 VanDerWaalsContact SG-SG 3.64Å; C207-A209 VanDerWaalsContact C-N 3.31Å; C207-A209 VanDerWaalsContact SG-CB 3.53Å; C207-A209 PolarHBondContact SG-N 3.02Å; C207-A209 VanDerWaalsContact SG-N 3.45Å; C207-C225 PolarHBondContact SG-SG 3.49Å; C207-L241 HydrophobicContact CB-CD2 3.54Å |
| 208 | G | 88.9 | Confident | 84.5 | Confident | 18 Ų | 18 | 77.1 Ų | 77.1 | 19% | 0.186 | 43% | 0.429 | C | S | . | . | | | trans | 74.8 | 11.6 | -175 | 0 | 0 | 0 | 0 | 0 | 115.9 | C204 T210 K245 | C204-G208 VanDerWaalsContact O-CA 3.32Å; C204-G208 WeakPolarHBondContact O-CA 3.38Å; C204-G208 PolarHBondContact O-N 3.06Å; G208-T210 PolarHBondContact O-N 2.93Å; G208-K245 VanDerWaalsContact CA-NZ 3.26Å |
| 209 | A | 90.1 | Very high | 86.4 | Confident | 33 Ų | 33 | 83.7 Ų | 83.7 | 27% | 0.273 | 44% | 0.437 | S | S | . | . | | | trans | -63.1 | 126.9 | 170.5 | 0 | 0 | 0 | 0 | 0 | 109.9 | E203 C204 C207 W215 C225 | E203-A209 WeakPolarHBondContact CA-O 3.39Å; C204-A209 PolarHBondContact N-O 2.84Å; C207-A209 VanDerWaalsContact C-N 3.31Å; C207-A209 VanDerWaalsContact SG-CB 3.53Å; C207-A209 PolarHBondContact SG-N 3.02Å; C207-A209 VanDerWaalsContact SG-N 3.45Å; A209-W215 WeakPolarHBondContact O-CH2 3.4Å; A209-C225 HydrophobicContact CB-CB 4.5Å |
| 210 | T | 92.1 | Very high | 88.4 | Confident | 94 Ų | 94 | 84.5 Ų | 84.5 | 58% | 0.577 | 44% | 0.439 | S | S | * | . | S | Bend | trans | -89.5 | -16.8 | 175.2 | 47.9 | 0 | 0 | 0 | 0 | 112.8 | A201 E203 G208 | A201-T210 HydrophobicContact CB-CG2 4.37Å; E203-T210 HydrophobicContact CB-CG2 4.36Å; G208-T210 PolarHBondContact O-N 2.93Å |
| 211 | A | 90.1 | Very high | 89.9 | Confident | 81 Ų | 81 | 79.7 Ų | 79.7 | 67% | 0.669 | 43% | 0.427 | S | S | * | . | | | trans | -120.1 | 143.7 | 173.3 | 0 | 0 | 0 | 0 | 0 | 110.5 | | |
| 212 | T | 91.3 | Very high | 90.9 | Very high | 33 Ų | 33 | 80.7 Ų | 80.7 | 20% | 0.202 | 42% | 0.42 | C | S | . | . | | | trans | -161.4 | 146.3 | 175.8 | -171.1 | 0 | 0 | 0 | 0 | 110 | L214 W215 C225 N226 | T212-L214 WeakPolarHBondContact CG2-O 3.46Å; T212-L214 PolarHBondContact O-N 3.48Å; T212-L214 PolarHBondContact OG1-O 3.11Å; T212-W215 HydrophobicContact CG2-CD2 3.45Å; T212-W215 VanDerWaalsContact CG2-CD2 3.45Å; T212-W215 VanDerWaalsContact CG2-CE2 3.44Å; T212-W215 HydrophobicContact CG2-CE3 3.81Å; T212-W215 HydrophobicContact CG2-CG 3.86Å; T212-W215 HydrophobicContact CG2-CH2 4.08Å; T212-W215 HydrophobicContact CG2-CZ2 3.76Å; T212-W215 HydrophobicContact CG2-CZ3 4.11Å; T212-C225 HydrophobicContact CG2-CB 4.11Å; T212-C225 WeakPolarHBondContact OG1-CB 3.35Å; T212-N226 PolarHBondContact OG1-N 3.34Å |
| 213 | P | 91.4 | Very high | 91.2 | Very high | 123 Ų | 123 | 78.7 Ų | 78.7 | 80% | 0.799 | 41% | 0.413 | S | S | * | . | S | Bend | trans | -67.6 | -17.8 | 177 | 26.3 | -36.2 | 0 | 0 | 0 | 114 | N226 | P213-N226 HydrophobicContact CG-CB 4.48Š|
| 214 | L | 92.9 | Very high | 91.2 | Very high | 85 Ų | 85 | 75.1 Ų | 75.1 | 45% | 0.445 | 40% | 0.396 | S | S | . | . | S | Bend | trans | -152.8 | 123.1 | 172.3 | 179.6 | 62.3 | 0 | 0 | 0 | 111 | T212 N226 | T212-L214 WeakPolarHBondContact CG2-O 3.46Å; T212-L214 PolarHBondContact O-N 3.48Å; T212-L214 PolarHBondContact OG1-O 3.11Å; L214-N226 HydrophobicContact CB-CB 4.15Å; L214-N226 WeakPolarHBondContact O-CA 3.45Å; L214-N226 WeakPolarHBondContact O-CB 3.44Å; L214-N226 PolarHBondContact O-N 2.93Å |
| 215 | W | 94.3 | Very high | 91.3 | Very high | 88 Ų | 88 | 75.5 Ų | 75.5 | 33% | 0.333 | 40% | 0.399 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.8 | 129.6 | 168.9 | -74.9 | 110.6 | 0 | 0 | 0 | 110.7 | R202 C204 A209 T212 | R202-W215 HydrophobicContact CB-CH2 4.42Å; R202-W215 HydrophobicContact CB-CZ2 4.12Å; R202-W215 WeakPolarHBondContact O-CH2 3.28Å; R202-W215 WeakPolarHBondContact O-CZ2 3.33Å; C204-W215 HydrophobicContact CB-CZ3 4.25Å; A209-W215 WeakPolarHBondContact O-CH2 3.4Å; T212-W215 HydrophobicContact CG2-CD2 3.45Å; T212-W215 VanDerWaalsContact CG2-CD2 3.45Å; T212-W215 VanDerWaalsContact CG2-CE2 3.44Å; T212-W215 HydrophobicContact CG2-CE3 3.81Å; T212-W215 HydrophobicContact CG2-CG 3.86Å; T212-W215 HydrophobicContact CG2-CH2 4.08Å; T212-W215 HydrophobicContact CG2-CZ2 3.76Å; T212-W215 HydrophobicContact CG2-CZ3 4.11Å |
| 216 | R | 94.3 | Very high | 91.5 | Very high | 87 Ų | 87 | 73.5 Ų | 73.5 | 33% | 0.328 | 39% | 0.385 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113 | 153.1 | 171.2 | -63 | -177.1 | 179.9 | -80.2 | -1.8 | 108.8 | L224 N226 | R216-L224 HydrophobicContact CB-CB 4.49Å; R216-L224 PolarHBondContact N-O 3.41Å; R216-L224 PolarHBondContact O-N 3.34Å; R216-N226 VanDerWaalsContact CZ-OD1 3.26Å; R216-N226 PolarHBondContact NE-OD1 3.16Å; R216-N226 PolarHBondContact NH2-OD1 3.3Å |
| 217 | R | 94.2 | Very high | 91.7 | Very high | 167 Ų | 167 | 74.5 Ų | 74.5 | 63% | 0.63 | 40% | 0.396 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -110.7 | 145 | 168.6 | -59.2 | -173.2 | -169.2 | -139.3 | 4.1 | 109.4 | H222 Y223 | R217-H222 VanDerWaalsContact CA-O 3.31Å; R217-H222 WeakPolarHBondContact CA-O 3.45Å; R217-Y223 HydrophobicContact CG-CD1 4.42Å; R217-Y223 HydrophobicContact CG-CE1 4.45Å; R217-Y223 PolarHBondContact NH1-OH 3.3Å; R217-Y223 PolarHBondContact NH2-OH 3.04Å |
| 218 | D | 87.9 | Confident | 91.9 | Very high | 46 Ų | 46 | 73.1 Ų | 73.1 | 25% | 0.246 | 39% | 0.387 | C | S | . | . | | | trans | -78.1 | 177.7 | 166.3 | 80 | -16.1 | 0 | 0 | 0 | 110.8 | T220 G221 H222 L224 | D218-T220 VanDerWaalsContact CG-OG1 3.29Å; D218-T220 PolarHBondContact O-N 2.97Å; D218-T220 VanDerWaalsContact OD1-CA 3.23Å; D218-T220 WeakPolarHBondContact OD1-CA 3.29Å; D218-T220 VanDerWaalsContact OD1-CB 3.29Å; D218-T220 WeakPolarHBondContact OD1-CB 3.37Å; D218-T220 PolarHBondContact OD1-N 3Å; D218-T220 PolarHBondContact OD1-OG1 3.19Å; D218-T220 WeakPolarHBondContact OD2-CB 3.38Å; D218-T220 PolarHBondContact OD2-OG1 3.07Å; D218-G221 PolarHBondContact O-N 3.44Å; D218-G221 PolarHBondContact OD1-N 3.1Å; D218-H222 PolarHBondContact N-O 2.82Å; D218-H222 VanDerWaalsContact N-O 3.08Å; D218-H222 IonicContact OD1-CG 2.68Å; D218-H222 PolarHBondContact OD1-N 2.77Å; D218-H222 IonicContact OD1-ND1 3.39Å; D218-H222 PolarHBondContact OD1-ND1 3.34Å; D218-H222 IonicContact OD2-CE1 2.84Å; D218-H222 IonicContact OD2-CG 3.45Å; D218-H222 IonicContact OD2-ND1 2.89Å; D218-H222 PolarHBondContact OD2-ND1 2.89Å; D218-L224 HydrophobicContact CB-CD1 4.15Å |
| 219 | R | 86.4 | Confident | 92.1 | Very high | 264 Ų | 264 | 72.8 Ų | 72.8 | 100% | 0.996 | 38% | 0.384 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68 | 0.8 | 174.9 | -64.3 | -169.9 | -177.3 | -156.9 | 0.9 | 113.9 | | |
| 220 | T | 90.3 | Very high | 92.2 | Very high | 106 Ų | 106 | 75.1 Ų | 75.1 | 65% | 0.65 | 39% | 0.391 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -111.9 | -1.2 | -179.5 | -19 | 0 | 0 | 0 | 0 | 112 | D218 | D218-T220 VanDerWaalsContact CG-OG1 3.29Å; D218-T220 PolarHBondContact O-N 2.97Å; D218-T220 VanDerWaalsContact OD1-CA 3.23Å; D218-T220 WeakPolarHBondContact OD1-CA 3.29Å; D218-T220 VanDerWaalsContact OD1-CB 3.29Å; D218-T220 WeakPolarHBondContact OD1-CB 3.37Å; D218-T220 PolarHBondContact OD1-N 3Å; D218-T220 PolarHBondContact OD1-OG1 3.19Å; D218-T220 WeakPolarHBondContact OD2-CB 3.38Å; D218-T220 PolarHBondContact OD2-OG1 3.07Å |
| 221 | G | 89.3 | Confident | 92.2 | Very high | 37 Ų | 37 | 73.8 Ų | 73.8 | 38% | 0.381 | 38% | 0.376 | S | S | . | . | S | Bend | trans | 87.7 | -2.4 | -177.6 | 0 | 0 | 0 | 0 | 0 | 116 | D218 | D218-G221 PolarHBondContact O-N 3.44Å; D218-G221 PolarHBondContact OD1-N 3.1Å |
| 222 | H | 92.1 | Very high | 92.3 | Very high | 89 Ų | 89 | 73.6 Ų | 73.6 | 41% | 0.412 | 36% | 0.361 | S | S | . | . | | | trans | -69.5 | 139.5 | -180 | -56.6 | 112.7 | 0 | 0 | 0 | 112.3 | V205 R217 D218 | V205-H222 HydrophobicContact CG1-CB 4.06Å; V205-H222 HydrophobicContact CG2-CB 3.84Å; R217-H222 VanDerWaalsContact CA-O 3.31Å; R217-H222 WeakPolarHBondContact CA-O 3.45Å; D218-H222 PolarHBondContact N-O 2.82Å; D218-H222 VanDerWaalsContact N-O 3.08Å; D218-H222 IonicContact OD1-CG 2.68Å; D218-H222 PolarHBondContact OD1-N 2.77Å; D218-H222 IonicContact OD1-ND1 3.39Å; D218-H222 PolarHBondContact OD1-ND1 3.34Å; D218-H222 IonicContact OD2-CE1 2.84Å; D218-H222 IonicContact OD2-CG 3.45Å; D218-H222 IonicContact OD2-ND1 2.89Å; D218-H222 PolarHBondContact OD2-ND1 2.89Å |
| 223 | Y | 93.7 | Very high | 92.3 | Very high | 82 Ų | 82 | 80.6 Ų | 80.6 | 32% | 0.322 | 39% | 0.389 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.4 | 129.3 | 175 | -62.1 | -78 | 0 | 0 | 0 | 112.4 | C204 V205 R217 | C204-Y223 WeakPolarHBondContact CA-O 3.45Å; V205-Y223 PolarHBondContact N-O 3.42Å; R217-Y223 HydrophobicContact CG-CD1 4.42Å; R217-Y223 HydrophobicContact CG-CE1 4.45Å; R217-Y223 PolarHBondContact NH1-OH 3.3Å; R217-Y223 PolarHBondContact NH2-OH 3.04Å |
| 224 | L | 93.7 | Very high | 92.1 | Very high | 12 Ų | 12 | 82.1 Ų | 82.1 | 6% | 0.063 | 39% | 0.387 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.8 | 138.6 | 174.5 | -66.9 | 174.5 | 0 | 0 | 0 | 109.8 | V205 N206 R216 D218 C228 | V205-L224 HydrophobicContact CG2-CD2 3.67Å; N206-L224 HydrophobicContact CB-CD2 4.05Å; R216-L224 HydrophobicContact CB-CB 4.49Å; R216-L224 PolarHBondContact N-O 3.41Å; R216-L224 PolarHBondContact O-N 3.34Å; D218-L224 HydrophobicContact CB-CD1 4.15Å; L224-C228 HydrophobicContact CD2-CB 4.4Å |
| 225 | C | 95.1 | Very high | 92 | Very high | 7 Ų | 7 | 81.6 Ų | 81.6 | 5% | 0.047 | 39% | 0.385 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -69 | 157.8 | 169.4 | 71.9 | 0 | 0 | 0 | 0 | 110.5 | C204 C207 A209 T212 A227 C228 G229 | C204-C225 HydrophobicContact CB-CB 3.91Å; C204-C225 PolarHBondContact SG-N 3.13Å; C207-C225 PolarHBondContact SG-SG 3.49Å; A209-C225 HydrophobicContact CB-CB 4.5Å; T212-C225 HydrophobicContact CG2-CB 4.11Å; T212-C225 WeakPolarHBondContact OG1-CB 3.35Å; C225-A227 VanDerWaalsContact C-N 3.28Å; C225-A227 PolarHBondContact O-N 3.45Å; C225-A227 VanDerWaalsContact O-N 3.16Å; C225-C228 PolarHBondContact O-N 3.03Å; C225-C228 PolarHBondContact SG-SG 3.5Å; C225-G229 PolarHBondContact O-N 3.03Å |
| 226 | N | 95.1 | Very high | 91.7 | Very high | 40 Ų | 40 | 80.2 Ų | 80.2 | 21% | 0.214 | 40% | 0.398 | C | S | . | . | H | α-helix | trans | -48.3 | -49.2 | -174.7 | -171.2 | 25.3 | 0 | 0 | 0 | 112.7 | T212 P213 L214 R216 C228 G229 L230 | T212-N226 PolarHBondContact OG1-N 3.34Å; P213-N226 HydrophobicContact CG-CB 4.48Å; L214-N226 HydrophobicContact CB-CB 4.15Å; L214-N226 WeakPolarHBondContact O-CA 3.45Å; L214-N226 WeakPolarHBondContact O-CB 3.44Å; L214-N226 PolarHBondContact O-N 2.93Å; R216-N226 VanDerWaalsContact CZ-OD1 3.26Å; R216-N226 PolarHBondContact NE-OD1 3.16Å; R216-N226 PolarHBondContact NH2-OD1 3.3Å; N226-C228 PolarHBondContact O-N 3.45Å; N226-G229 PolarHBondContact O-N 3.06Å; N226-L230 WeakPolarHBondContact O-CB 3.48Å; N226-L230 VanDerWaalsContact O-CG 3.29Å; N226-L230 WeakPolarHBondContact O-CG 3.45Å; N226-L230 PolarHBondContact O-N 3.49Å; N226-L230 WeakPolarHBondContact OD1-CD1 3.31Å |
| 227 | A | 92.9 | Very high | 91.4 | Very high | 43 Ų | 43 | 82.6 Ų | 82.6 | 36% | 0.355 | 41% | 0.413 | S | S | . | . | H | α-helix | trans | -64.5 | -38.6 | -179.4 | 0 | 0 | 0 | 0 | 0 | 113.8 | C225 Y231 | C225-A227 VanDerWaalsContact C-N 3.28Å; C225-A227 PolarHBondContact O-N 3.45Å; C225-A227 VanDerWaalsContact O-N 3.16Å; A227-Y231 WeakPolarHBondContact O-CB 3.32Å; A227-Y231 PolarHBondContact O-N 2.83Å |
| 228 | C | 93.2 | Very high | 91 | Very high | 1 Ų | 1 | 78.2 Ų | 78.2 | 1% | 0.007 | 40% | 0.402 | C | S | . | . | H | α-helix | trans | -76.4 | -36.2 | 178.8 | -66.8 | 0 | 0 | 0 | 0 | 112.1 | N206 L224 C225 N226 H232 | N206-C228 HydrophobicContact CB-CB 4.15Å; N206-C228 PolarHBondContact OD1-SG 3.48Å; N206-C228 VanDerWaalsContact OD1-SG 3.34Å; L224-C228 HydrophobicContact CD2-CB 4.4Å; C225-C228 PolarHBondContact O-N 3.03Å; C225-C228 PolarHBondContact SG-SG 3.5Å; N226-C228 PolarHBondContact O-N 3.45Å; C228-H232 VanDerWaalsContact O-CB 3.28Å; C228-H232 WeakPolarHBondContact O-CB 2.96Å; C228-H232 PolarHBondContact O-N 2.69Å |
| 229 | G | 93.4 | Very high | 91 | Very high | 11 Ų | 11 | 81.3 Ų | 81.3 | 11% | 0.113 | 41% | 0.41 | C | S | . | . | H | α-helix | trans | -68.8 | -38.1 | 174.5 | 0 | 0 | 0 | 0 | 0 | 113 | C225 N226 K233 | C225-G229 PolarHBondContact O-N 3.03Å; N226-G229 PolarHBondContact O-N 3.06Å; G229-K233 WeakPolarHBondContact O-CB 3.47Å; G229-K233 PolarHBondContact O-N 2.86Å |
| 230 | L | 92 | Very high | 90.7 | Very high | 82 Ų | 82 | 72.8 Ų | 72.8 | 43% | 0.429 | 39% | 0.389 | S | S | . | . | H | α-helix | trans | -65.1 | -49.7 | 172.6 | -74.9 | 170.7 | 0 | 0 | 0 | 111.6 | N226 H232 K233 M234 | N226-L230 WeakPolarHBondContact O-CB 3.48Å; N226-L230 VanDerWaalsContact O-CG 3.29Å; N226-L230 WeakPolarHBondContact O-CG 3.45Å; N226-L230 PolarHBondContact O-N 3.49Å; N226-L230 WeakPolarHBondContact OD1-CD1 3.31Å; L230-H232 VanDerWaalsContact C-N 3.33Å; L230-H232 PolarHBondContact O-N 3.39Å; L230-K233 PolarHBondContact O-N 3.05Å; L230-K233 VanDerWaalsContact O-N 3.13Å; L230-M234 WeakPolarHBondContact O-CB 3.01Å; L230-M234 PolarHBondContact O-N 2.89Å |
| 231 | Y | 92.9 | Very high | 90.2 | Very high | 65 Ų | 65 | 70.9 Ų | 70.9 | 26% | 0.255 | 38% | 0.375 | S | S | . | . | H | α-helix | trans | -57.9 | -44.9 | 177 | -171.3 | -81.1 | 0 | 0 | 0 | 111.8 | A227 K233 M234 N235 Q237 R239 P240 | A227-Y231 WeakPolarHBondContact O-CB 3.32Å; A227-Y231 PolarHBondContact O-N 2.83Å; Y231-K233 VanDerWaalsContact C-N 3.33Å; Y231-K233 PolarHBondContact O-N 3.29Å; Y231-M234 PolarHBondContact O-N 2.89Å; Y231-N235 HydrophobicContact CD1-CB 4.17Å; Y231-N235 HydrophobicContact CE1-CB 3.8Å; Y231-N235 WeakPolarHBondContact O-CB 3.5Å; Y231-N235 PolarHBondContact O-N 3.39Å; Y231-N235 PolarHBondContact O-OD1 2.89Å; Y231-Q237 WeakPolarHBondContact CD1-O 3.45Å; Y231-R239 VanDerWaalsContact CD1-CA 3.42Å; Y231-R239 HydrophobicContact CD1-CB 3.82Å; Y231-R239 HydrophobicContact CD1-CG 4.23Å; Y231-R239 HydrophobicContact CD2-CG 4.05Å; Y231-R239 HydrophobicContact CE1-CB 4.41Å; Y231-R239 HydrophobicContact CG-CB 3.88Å; Y231-R239 HydrophobicContact CG-CG 3.88Å; Y231-P240 VanDerWaalsContact CZ-CD 3.42Å; Y231-P240 WeakPolarHBondContact OH-CD 3.43Å |
| 232 | H | 91.3 | Very high | 89.5 | Confident | 77 Ų | 77 | 77.4 Ų | 77.4 | 36% | 0.356 | 40% | 0.399 | S | S | . | . | H | α-helix | trans | -66.4 | -33.1 | 177.7 | -172.8 | -81.9 | 0 | 0 | 0 | 113 | C228 L230 G236 Q237 | C228-H232 VanDerWaalsContact O-CB 3.28Å; C228-H232 WeakPolarHBondContact O-CB 2.96Å; C228-H232 PolarHBondContact O-N 2.69Å; L230-H232 VanDerWaalsContact C-N 3.33Å; L230-H232 PolarHBondContact O-N 3.39Å; H232-G236 WeakPolarHBondContact O-CA 3.45Å; H232-G236 PolarHBondContact O-N 3.22Å; H232-Q237 WeakPolarHBondContact CA-O 3.36Å |
| 233 | K | 90.9 | Very high | 88.4 | Confident | 180 Ų | 180 | 83.5 Ų | 83.5 | 78% | 0.783 | 42% | 0.418 | S | S | * | . | H | α-helix | trans | -68.3 | -40.2 | 174 | -173 | -175.1 | 176.1 | -170.2 | 0 | 111.8 | G229 L230 Y231 | G229-K233 WeakPolarHBondContact O-CB 3.47Å; G229-K233 PolarHBondContact O-N 2.86Å; L230-K233 PolarHBondContact O-N 3.05Å; L230-K233 VanDerWaalsContact O-N 3.13Å; Y231-K233 VanDerWaalsContact C-N 3.33Å; Y231-K233 PolarHBondContact O-N 3.29Å |
| 234 | M | 88.2 | Confident | 87 | Confident | 155 Ų | 155 | 85 Ų | 85 | 76% | 0.764 | 44% | 0.438 | S | S | * | . | H | α-helix | trans | -82.9 | -48.5 | -174 | -172.5 | 171.4 | 74.1 | 0 | 0 | 112.9 | L230 Y231 | L230-M234 WeakPolarHBondContact O-CB 3.01Å; L230-M234 PolarHBondContact O-N 2.89Å; Y231-M234 PolarHBondContact O-N 2.89Å |
| 235 | N | 90.5 | Very high | 85.8 | Confident | 74 Ų | 74 | 87.6 Ų | 87.6 | 40% | 0.396 | 45% | 0.449 | S | S | . | . | H | α-helix | trans | -96.2 | -6 | -173.3 | -59.9 | 85.6 | 0 | 0 | 0 | 113.5 | Y231 Q237 | Y231-N235 HydrophobicContact CD1-CB 4.17Å; Y231-N235 HydrophobicContact CE1-CB 3.8Å; Y231-N235 WeakPolarHBondContact O-CB 3.5Å; Y231-N235 PolarHBondContact O-N 3.39Å; Y231-N235 PolarHBondContact O-OD1 2.89Å; N235-Q237 PolarHBondContact O-N 2.78Å |
| 236 | G | 87.6 | Confident | 84.2 | Confident | 59 Ų | 59 | 96.6 Ų | 96.6 | 61% | 0.608 | 49% | 0.487 | S | S | * | . | S | Bend | trans | 63.8 | 8.5 | -177 | 0 | 0 | 0 | 0 | 0 | 115.1 | H232 | H232-G236 WeakPolarHBondContact O-CA 3.45Å; H232-G236 PolarHBondContact O-N 3.22Å |
| 237 | Q | 88.1 | Confident | 82.7 | Confident | 137 Ų | 137 | 104.1 Ų | 104.1 | 64% | 0.64 | 51% | 0.513 | S | S | * | . | S | Bend | trans | -129.4 | 165.3 | -174.2 | -66.9 | -168.3 | 9.2 | 0 | 0 | 111.7 | Y231 H232 N235 | Y231-Q237 WeakPolarHBondContact CD1-O 3.45Å; H232-Q237 WeakPolarHBondContact CA-O 3.36Å; N235-Q237 PolarHBondContact O-N 2.78Å |
| 238 | N | 86.4 | Confident | 81.2 | Confident | 76 Ų | 76 | 109.7 Ų | 109.7 | 41% | 0.406 | 54% | 0.535 | S | S | . | . | P | Polyproline II helix | trans | -71.8 | 136.8 | 173.9 | -90.6 | -80 | 0 | 0 | 0 | 110.9 | N206 A309 | N206-N238 WeakPolarHBondContact ND2-CB 3.29Å; N206-N238 PolarHBondContact ND2-OD1 3.08Å; N238-A309 HydrophobicContact CB-CB 4.1Å |
| 239 | R | 87.1 | Confident | 79.7 | Confident | 110 Ų | 110 | 115.1 Ų | 115.1 | 42% | 0.415 | 56% | 0.563 | S | S | . | * | P | Polyproline II helix | trans | -58 | 125.8 | 179.7 | -168.3 | 179 | -176 | -150.3 | 1.2 | 110.3 | N206 Y231 L241 | N206-R239 PolarHBondContact ND2-N 3.12Å; N206-R239 PolarHBondContact ND2-O 3.44Å; Y231-R239 VanDerWaalsContact CD1-CA 3.42Å; Y231-R239 HydrophobicContact CD1-CB 3.82Å; Y231-R239 HydrophobicContact CD1-CG 4.23Å; Y231-R239 HydrophobicContact CD2-CG 4.05Å; Y231-R239 HydrophobicContact CE1-CB 4.41Å; Y231-R239 HydrophobicContact CG-CB 3.88Å; Y231-R239 HydrophobicContact CG-CG 3.88Å; R239-L241 PolarHBondContact O-N 3.06Å |
| 240 | P | 81.4 | Confident | 78.3 | Confident | 85 Ų | 85 | 120.8 Ų | 120.8 | 55% | 0.552 | 60% | 0.595 | S | S | * | * | P | Polyproline II helix | trans | -68.1 | 130 | 175.4 | 27.2 | -33 | 0 | 0 | 0 | 109.6 | Y231 | Y231-P240 VanDerWaalsContact CZ-CD 3.42Å; Y231-P240 WeakPolarHBondContact OH-CD 3.43Å |
| 241 | L | 79.9 | Confident | 76.6 | Confident | 66 Ų | 66 | 121.5 Ų | 121.5 | 35% | 0.346 | 61% | 0.607 | S | S | . | * | | | trans | -98.2 | 100.6 | -176.8 | -61.4 | 175.4 | 0 | 0 | 0 | 109.8 | C207 R239 R243 | C207-L241 HydrophobicContact CB-CD2 3.54Å; R239-L241 PolarHBondContact O-N 3.06Å; L241-R243 CarbonylContact O-C 3.53Å; L241-R243 PolarHBondContact O-N 3.01Å; L241-R243 VanDerWaalsContact O-N 3.11Å |
| 242 | I | 73.3 | Confident | 75.2 | Confident | 174 Ų | 174 | 126.2 Ų | 126.2 | 89% | 0.892 | 63% | 0.629 | S | S | * | * | S | Bend | trans | -53.9 | -30.8 | 179.1 | -60.2 | 170.5 | 0 | 0 | 0 | 111.8 | | |
| 243 | R | 69.3 | Low | 74.1 | Confident | 217 Ų | 217 | 130.2 Ų | 130.2 | 82% | 0.819 | 64% | 0.641 | S | S | * | * | S | Bend | trans | -116.6 | 119.2 | 165.1 | -58.1 | 178.5 | 88.7 | 90.4 | -8.1 | 107.7 | L241 K245 | L241-R243 CarbonylContact O-C 3.53Å; L241-R243 PolarHBondContact O-N 3.01Å; L241-R243 VanDerWaalsContact O-N 3.11Å; R243-K245 PolarHBondContact O-N 3.22Å |
| 244 | P | 64.9 | Low | 73.3 | Confident | 113 Ų | 113 | 126.5 Ų | 126.5 | 73% | 0.734 | 64% | 0.644 | S | S | * | * | | | trans | -63.4 | 137.6 | -179.5 | 25.5 | -33.7 | 0 | 0 | 0 | 110.2 | K246 | P244-K246 PolarHBondContact O-N 2.85Š|
| 245 | K | 67.5 | Low | 73.1 | Confident | 67 Ų | 67 | 123.1 Ų | 123.1 | 29% | 0.291 | 65% | 0.649 | S | S | . | * | | | trans | -52.7 | 115.9 | 177.7 | -179.6 | 178.4 | -178.7 | 172.8 | 0 | 109.3 | E203 G208 R243 R247 | E203-K245 IonicContact OE1-NZ 3.79Å; E203-K245 PolarHBondContact OE1-NZ 2.82Å; E203-K245 IonicContact OE2-NZ 3.89Å; E203-K245 PolarHBondContact OE2-NZ 3.12Å; G208-K245 VanDerWaalsContact CA-NZ 3.26Å; R243-K245 PolarHBondContact O-N 3.22Å; K245-R247 HydrophobicContact CD-CG 4.18Å; K245-R247 HydrophobicContact CG-CG 4.19Å; K245-R247 PolarHBondContact O-N 2.74Å |
| 246 | K | 62.3 | Low | 73.1 | Confident | 197 Ų | 197 | 121.1 Ų | 121.1 | 86% | 0.857 | 64% | 0.639 | S | S | * | * | | | trans | -63.6 | 81.5 | 163.2 | -94.3 | -171.3 | 174.5 | -178.8 | 0 | 107.7 | P244 L248 | P244-K246 PolarHBondContact O-N 2.85Å; K246-L248 PolarHBondContact O-N 2.71Å |
| 247 | R | 62.7 | Low | 73.5 | Confident | 198 Ų | 198 | 123.4 Ų | 123.4 | 75% | 0.747 | 63% | 0.634 | S | S | * | * | | | trans | -62.8 | 106.6 | 163.4 | -69.7 | -169.5 | 66 | 161.9 | 2.5 | 105.6 | K245 I249 | K245-R247 HydrophobicContact CD-CG 4.18Å; K245-R247 HydrophobicContact CG-CG 4.19Å; K245-R247 PolarHBondContact O-N 2.74Å; R247-I249 PolarHBondContact O-N 2.67Å; R247-I249 VanDerWaalsContact O-N 3.12Å |
| 248 | L | 62 | Low | 73.8 | Confident | 159 Ų | 159 | 116.9 Ų | 116.9 | 83% | 0.832 | 60% | 0.604 | S | S | * | * | P | Polyproline II helix | trans | -51.5 | 122.8 | 168.1 | -60.4 | 178.4 | 0 | 0 | 0 | 106.8 | K246 V250 | K246-L248 PolarHBondContact O-N 2.71Å; L248-V250 PolarHBondContact O-N 2.79Å; L248-V250 VanDerWaalsContact O-N 3.16Å |
| 249 | I | 62.9 | Low | 74.3 | Confident | 115 Ų | 115 | 116.9 Ų | 116.9 | 59% | 0.59 | 61% | 0.606 | S | S | * | * | P | Polyproline II helix | trans | -61.5 | 121.4 | 173.1 | -60.9 | 172.9 | 0 | 0 | 0 | 104.6 | R247 S251 | R247-I249 PolarHBondContact O-N 2.67Å; R247-I249 VanDerWaalsContact O-N 3.12Å; I249-S251 PolarHBondContact O-N 2.95Å; I249-S251 VanDerWaalsContact O-N 3.1Å |
| 250 | V | 63.4 | Low | 74.7 | Confident | 130 Ų | 130 | 113.2 Ų | 113.2 | 79% | 0.788 | 60% | 0.595 | S | S | * | * | P | Polyproline II helix | trans | -49 | 124.2 | 179.3 | 171.1 | 0 | 0 | 0 | 0 | 107.2 | L248 | L248-V250 PolarHBondContact O-N 2.79Å; L248-V250 VanDerWaalsContact O-N 3.16Å |
| 251 | S | 56.7 | Low | 75.4 | Confident | 97 Ų | 97 | 109.4 Ų | 109.4 | 68% | 0.678 | 57% | 0.57 | S | S | * | * | P | Polyproline II helix | trans | -51 | 148.1 | -157.7 | -167 | 0 | 0 | 0 | 0 | 112.6 | I249 R253 | I249-S251 PolarHBondContact O-N 2.95Å; I249-S251 VanDerWaalsContact O-N 3.1Å; S251-R253 PolarHBondContact O-N 3.35Å |
| 252 | K | 62.8 | Low | 76.1 | Confident | 164 Ų | 164 | 112.5 Ų | 112.5 | 71% | 0.713 | 58% | 0.583 | S | S | * | * | | | trans | -48.9 | 107.6 | 172.2 | -64.8 | 178.4 | -178.3 | 178 | 0 | 107.8 | A254 | K252-A254 PolarHBondContact O-N 3.29Š|
| 253 | R | 68.7 | Low | 77 | Confident | 162 Ų | 162 | 105.2 Ų | 105.2 | 61% | 0.611 | 55% | 0.547 | S | S | * | . | | | trans | -66.8 | 110.1 | 170.9 | -74.1 | -173.6 | 174.3 | -171.4 | -4.2 | 106.3 | S251 G255 T256 | S251-R253 PolarHBondContact O-N 3.35Å; R253-G255 PolarHBondContact O-N 3.46Å; R253-T256 VanDerWaalsContact CB-OG1 3.26Å; R253-T256 WeakPolarHBondContact CB-OG1 3.23Å; R253-T256 PolarHBondContact O-N 3.08Å |
| 254 | A | 72.9 | Confident | 78.1 | Confident | 101 Ų | 101 | 98.3 Ų | 98.3 | 84% | 0.835 | 53% | 0.529 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -51.6 | 137.3 | 179.5 | 0 | 0 | 0 | 0 | 0 | 109.8 | K252 T256 | K252-A254 PolarHBondContact O-N 3.29Å; A254-T256 PolarHBondContact O-N 2.89Å; A254-T256 VanDerWaalsContact O-N 3.12Å |
| 255 | G | 84 | Confident | 79.4 | Confident | 85 Ų | 85 | 95.1 Ų | 95.1 | 88% | 0.876 | 51% | 0.507 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 70.6 | -7.2 | -177.2 | 0 | 0 | 0 | 0 | 0 | 117 | R253 Q257 | R253-G255 PolarHBondContact O-N 3.46Å; G255-Q257 PolarHBondContact O-N 2.72Å |
| 256 | T | 92 | Very high | 80.5 | Confident | 31 Ų | 31 | 92.9 Ų | 92.9 | 19% | 0.19 | 50% | 0.499 | C | S | . | . | | | trans | -85.6 | 115.2 | 179.2 | -46.6 | 0 | 0 | 0 | 0 | 111.5 | R253 A254 W269 P277 | R253-T256 VanDerWaalsContact CB-OG1 3.26Å; R253-T256 WeakPolarHBondContact CB-OG1 3.23Å; R253-T256 PolarHBondContact O-N 3.08Å; A254-T256 PolarHBondContact O-N 2.89Å; A254-T256 VanDerWaalsContact O-N 3.12Å; T256-W269 HydrophobicContact CG2-CD2 3.71Å; T256-W269 HydrophobicContact CG2-CE3 3.84Å; T256-W269 HydrophobicContact CG2-CG 4.43Å; T256-W269 HydrophobicContact CG2-CH2 3.75Å; T256-W269 HydrophobicContact CG2-CZ2 3.59Å; T256-W269 HydrophobicContact CG2-CZ3 3.86Å; T256-W269 VanDerWaalsContact O-CH2 3.31Å; T256-W269 WeakPolarHBondContact O-CH2 3.4Å; T256-W269 VanDerWaalsContact O-CZ2 3.31Å; T256-W269 WeakPolarHBondContact O-CZ2 3.45Å; T256-P277 HydrophobicContact CG2-CB 3.85Å; T256-P277 HydrophobicContact CG2-CG 4.39Å |
| 257 | Q | 94.9 | Very high | 81.9 | Confident | 108 Ų | 108 | 88 Ų | 88 | 51% | 0.505 | 49% | 0.486 | S | S | . | . | | | trans | -125 | 150.4 | 173.6 | 67.6 | -174.6 | 31.4 | 0 | 0 | 111.5 | G255 T259 T264 | G255-Q257 PolarHBondContact O-N 2.72Å; Q257-T259 PolarHBondContact O-N 3.16Å; Q257-T264 HydrophobicContact CB-CG2 4Å |
| 258 | C | 95.7 | Very high | 83.3 | Confident | 0 Ų | 0 | 82.8 Ų | 82.8 | 0% | 0 | 47% | 0.473 | C | S | . | . | | | trans | -75.8 | 121 | 177.1 | 176.5 | 0 | 0 | 0 | 0 | 111.5 | N260 C261 Q262 T263 W269 P277 C279 | C258-N260 VanDerWaalsContact C-N 3.32Å; C258-N260 PolarHBondContact O-N 3.3Å; C258-C261 PolarHBondContact O-N 3.16Å; C258-Q262 WeakPolarHBondContact O-CA 3.09Å; C258-Q262 PolarHBondContact O-N 2.83Å; C258-T263 PolarHBondContact N-O 2.92Å; C258-T263 VanDerWaalsContact N-O 3.1Å; C258-W269 HydrophobicContact CB-CZ3 4.17Å; C258-P277 WeakPolarHBondContact CA-O 3.48Å; C258-C279 HydrophobicContact CB-CB 3.91Å; C258-C279 PolarHBondContact SG-N 2.96Å |
| 259 | T | 96.3 | Very high | 84.8 | Confident | 75 Ų | 75 | 77.8 Ų | 77.8 | 46% | 0.46 | 44% | 0.443 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -54.5 | -42.6 | -179.7 | 53.6 | 0 | 0 | 0 | 0 | 113.9 | Q257 D276 P277 V278 | Q257-T259 PolarHBondContact O-N 3.16Å; T259-D276 HydrophobicContact CG2-CB 3.65Å; T259-P277 PolarHBondContact N-O 3.24Å; T259-P277 VanDerWaalsContact N-O 3.08Å; T259-V278 WeakPolarHBondContact OG1-CG1 3.37Å |
| 260 | N | 95.9 | Very high | 86.3 | Confident | 34 Ų | 34 | 76.7 Ų | 76.7 | 18% | 0.182 | 43% | 0.431 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -76.4 | -26.4 | -177.2 | 167.2 | -130 | 0 | 0 | 0 | 115.8 | C258 C282 R293 | C258-N260 VanDerWaalsContact C-N 3.32Å; C258-N260 PolarHBondContact O-N 3.3Å; N260-C282 HydrophobicContact CB-CB 4.39Å; N260-C282 WeakPolarHBondContact OD1-CB 3.16Å; N260-C282 PolarHBondContact OD1-SG 2.72Å; N260-R293 PolarHBondContact ND2-O 2.87Å; N260-R293 WeakPolarHBondContact OD1-CB 3.4Å; N260-R293 PolarHBondContact OD1-N 3.12Å |
| 261 | C | 95.2 | Very high | 87.9 | Confident | 5 Ų | 5 | 79.9 Ų | 79.9 | 3% | 0.034 | 43% | 0.429 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -139.2 | 7.5 | -173.6 | 72.6 | 0 | 0 | 0 | 0 | 115.2 | C258 T263 C282 L295 R298 | C258-C261 PolarHBondContact O-N 3.16Å; C261-T263 PolarHBondContact O-N 3.02Å; C261-T263 PolarHBondContact O-OG1 2.92Å; C261-T263 PolarHBondContact SG-OG1 2.72Å; C261-C282 PolarHBondContact SG-SG 3.43Å; C261-L295 HydrophobicContact CB-CD2 4.14Å; C261-R298 PolarHBondContact O-NH1 2.87Å |
| 262 | Q | 94.6 | Very high | 89.7 | Confident | 130 Ų | 130 | 77.9 Ų | 77.9 | 61% | 0.607 | 41% | 0.411 | S | S | * | . | | | trans | 58 | 6.3 | 175.9 | -61.4 | 154.4 | -4.7 | 0 | 0 | 115.4 | C258 T264 | C258-Q262 WeakPolarHBondContact O-CA 3.09Å; C258-Q262 PolarHBondContact O-N 2.83Å; Q262-T264 PolarHBondContact O-N 2.94Å |
| 263 | T | 92.9 | Very high | 91.2 | Very high | 22 Ų | 22 | 75.1 Ų | 75.1 | 14% | 0.135 | 42% | 0.419 | C | S | . | . | | | trans | -69.7 | 126 | -179.9 | -48.6 | 0 | 0 | 0 | 0 | 110.6 | C258 C261 T265 W269 | C258-T263 PolarHBondContact N-O 2.92Å; C258-T263 VanDerWaalsContact N-O 3.1Å; C261-T263 PolarHBondContact O-N 3.02Å; C261-T263 PolarHBondContact O-OG1 2.92Å; C261-T263 PolarHBondContact SG-OG1 2.72Å; T263-T265 VanDerWaalsContact CG2-O 3.28Å; T263-T265 WeakPolarHBondContact CG2-O 3.5Å; T263-W269 WeakPolarHBondContact O-CH2 3.15Å |
| 264 | T | 92.8 | Very high | 92.3 | Very high | 72 Ų | 72 | 71.8 Ų | 71.8 | 44% | 0.442 | 42% | 0.42 | S | S | . | . | | | trans | -89.1 | -10 | 177.7 | 53.1 | 0 | 0 | 0 | 0 | 113.5 | Q257 Q262 W269 | Q257-T264 HydrophobicContact CB-CG2 4Å; Q262-T264 PolarHBondContact O-N 2.94Å; T264-W269 WeakPolarHBondContact O-CZ2 3.49Å |
| 265 | T | 91.1 | Very high | 93.3 | Very high | 46 Ų | 46 | 68 Ų | 68 | 28% | 0.282 | 39% | 0.391 | S | S | . | . | | | trans | -113.7 | 120.2 | -178.4 | 50 | 0 | 0 | 0 | 0 | 110.7 | T263 | T263-T265 VanDerWaalsContact CG2-O 3.28Å; T263-T265 WeakPolarHBondContact CG2-O 3.5Å |
| 266 | T | 91.9 | Very high | 93.8 | Very high | 20 Ų | 20 | 67 Ų | 67 | 12% | 0.123 | 37% | 0.366 | C | S | . | . | | | trans | -148.6 | 156.5 | 176.9 | -163.5 | 0 | 0 | 0 | 0 | 112.5 | L268 W269 C279 N280 | T266-L268 VanDerWaalsContact C-N 3.32Å; T266-L268 WeakPolarHBondContact CG2-O 3.38Å; T266-L268 PolarHBondContact OG1-O 3.27Å; T266-W269 HydrophobicContact CG2-CD2 3.5Å; T266-W269 VanDerWaalsContact CG2-CD2 3.5Å; T266-W269 HydrophobicContact CG2-CE3 3.88Å; T266-W269 HydrophobicContact CG2-CG 3.84Å; T266-W269 HydrophobicContact CG2-CH2 4.31Å; T266-W269 HydrophobicContact CG2-CZ2 3.99Å; T266-W269 HydrophobicContact CG2-CZ3 4.26Å; T266-C279 HydrophobicContact CG2-CB 4.39Å; T266-C279 WeakPolarHBondContact OG1-CB 3.38Å; T266-N280 PolarHBondContact OG1-N 3.43Å; T266-N280 VanDerWaalsContact OG1-N 3.09Å |
| 267 | T | 90.5 | Very high | 94 | Very high | 95 Ų | 95 | 67.7 Ų | 67.7 | 58% | 0.583 | 37% | 0.371 | S | S | * | . | S | Bend | trans | -77.9 | -18.6 | 177.7 | 51.7 | 0 | 0 | 0 | 0 | 113.4 | I302 | T267-I302 HydrophobicContact CG2-CD1 4.49Å; T267-I302 HydrophobicContact CG2-CG2 3.57Å |
| 268 | L | 91.6 | Very high | 94.1 | Very high | 88 Ų | 88 | 63 Ų | 63 | 46% | 0.461 | 35% | 0.349 | S | S | . | . | S | Bend | trans | -160.8 | 127 | 174.2 | 172.8 | 63.8 | 0 | 0 | 0 | 108.8 | T266 R270 N280 | T266-L268 VanDerWaalsContact C-N 3.32Å; T266-L268 WeakPolarHBondContact CG2-O 3.38Å; T266-L268 PolarHBondContact OG1-O 3.27Å; L268-R270 HydrophobicContact CG-CG 4.47Å; L268-N280 HydrophobicContact CB-CB 4.12Å; L268-N280 WeakPolarHBondContact O-CB 3.28Å; L268-N280 PolarHBondContact O-N 3.28Å; L268-N280 VanDerWaalsContact O-N 3.07Å |
| 269 | W | 94.2 | Very high | 94.1 | Very high | 54 Ų | 54 | 63.4 Ų | 63.4 | 21% | 0.205 | 35% | 0.352 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.3 | 138.2 | 166.9 | -71.1 | 108.9 | 0 | 0 | 0 | 110 | T256 C258 T263 T264 T266 P277 | T256-W269 HydrophobicContact CG2-CD2 3.71Å; T256-W269 HydrophobicContact CG2-CE3 3.84Å; T256-W269 HydrophobicContact CG2-CG 4.43Å; T256-W269 HydrophobicContact CG2-CH2 3.75Å; T256-W269 HydrophobicContact CG2-CZ2 3.59Å; T256-W269 HydrophobicContact CG2-CZ3 3.86Å; T256-W269 VanDerWaalsContact O-CH2 3.31Å; T256-W269 WeakPolarHBondContact O-CH2 3.4Å; T256-W269 VanDerWaalsContact O-CZ2 3.31Å; T256-W269 WeakPolarHBondContact O-CZ2 3.45Å; C258-W269 HydrophobicContact CB-CZ3 4.17Å; T263-W269 WeakPolarHBondContact O-CH2 3.15Å; T264-W269 WeakPolarHBondContact O-CZ2 3.49Å; T266-W269 HydrophobicContact CG2-CD2 3.5Å; T266-W269 VanDerWaalsContact CG2-CD2 3.5Å; T266-W269 HydrophobicContact CG2-CE3 3.88Å; T266-W269 HydrophobicContact CG2-CG 3.84Å; T266-W269 HydrophobicContact CG2-CH2 4.31Å; T266-W269 HydrophobicContact CG2-CZ2 3.99Å; T266-W269 HydrophobicContact CG2-CZ3 4.26Å; W269-P277 HydrophobicContact CE3-CB 4.21Å; W269-P277 HydrophobicContact CZ3-CB 4.39Å |
| 270 | R | 95.4 | Very high | 94.1 | Very high | 92 Ų | 92 | 61.4 Ų | 61.4 | 35% | 0.347 | 34% | 0.338 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.3 | 168.5 | 174.2 | -65.7 | 179.3 | 177 | -80.4 | -6.1 | 108.9 | L268 V278 N280 | L268-R270 HydrophobicContact CG-CG 4.47Å; R270-V278 HydrophobicContact CB-CG2 3.84Å; R270-V278 PolarHBondContact N-O 2.91Å; R270-V278 PolarHBondContact O-N 3.02Å; R270-N280 PolarHBondContact NE-OD1 2.92Å; R270-N280 PolarHBondContact NH2-OD1 3.03Å |
| 271 | R | 95.9 | Very high | 94.1 | Very high | 197 Ų | 197 | 61.7 Ų | 61.7 | 74% | 0.743 | 35% | 0.346 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -107.4 | 149.2 | 164.8 | -63.6 | -175 | -176.7 | -92.9 | 11.6 | 110 | G275 D276 | R271-G275 VanDerWaalsContact CD-O 3.27Å; R271-G275 WeakPolarHBondContact CD-O 3.36Å; R271-G275 VanDerWaalsContact CG-O 3.28Å; R271-G275 WeakPolarHBondContact CG-O 3.33Å; R271-G275 PolarHBondContact NH1-O 3.16Å; R271-D276 VanDerWaalsContact CA-O 3.26Å; R271-D276 WeakPolarHBondContact CA-O 3.37Å |
| 272 | N | 94.4 | Very high | 94.2 | Very high | 55 Ų | 55 | 61.7 Ų | 61.7 | 29% | 0.294 | 35% | 0.346 | S | S | . | . | | | trans | -85.2 | -170 | 164.9 | 65.5 | -0.1 | 0 | 0 | 0 | 110.2 | S274 G275 D276 V278 | N272-S274 VanDerWaalsContact CG-OG 3.31Å; N272-S274 PolarHBondContact ND2-OG 3.42Å; N272-S274 PolarHBondContact OD1-N 3.32Å; N272-S274 PolarHBondContact OD1-OG 3.36Å; N272-S274 VanDerWaalsContact OD1-OG 3.1Å; N272-G275 PolarHBondContact O-N 3.17Å; N272-G275 PolarHBondContact OD1-N 3.28Å; N272-D276 PolarHBondContact N-O 3.38Å; N272-D276 PolarHBondContact ND2-OD2 3.39Å; N272-D276 WeakPolarHBondContact OD1-CB 3.3Å; N272-D276 PolarHBondContact OD1-N 3.38Å; N272-D276 PolarHBondContact OD1-OD2 3.09Å; N272-V278 HydrophobicContact CB-CG1 4.11Å |
| 273 | A | 93.9 | Very high | 94.3 | Very high | 106 Ų | 106 | 56.2 Ų | 56.2 | 88% | 0.876 | 33% | 0.325 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.5 | -33.5 | 179.8 | 0 | 0 | 0 | 0 | 0 | 113.7 | G275 | A273-G275 VanDerWaalsContact C-N 3.26Å; A273-G275 PolarHBondContact O-N 3.49Å |
| 274 | S | 93.1 | Very high | 94.5 | Very high | 91 Ų | 91 | 59.2 Ų | 59.2 | 64% | 0.636 | 34% | 0.339 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -79.4 | -2.6 | 173.8 | 39 | 0 | 0 | 0 | 0 | 114 | N272 D276 | N272-S274 VanDerWaalsContact CG-OG 3.31Å; N272-S274 PolarHBondContact ND2-OG 3.42Å; N272-S274 PolarHBondContact OD1-N 3.32Å; N272-S274 PolarHBondContact OD1-OG 3.36Å; N272-S274 VanDerWaalsContact OD1-OG 3.1Å; S274-D276 WeakPolarHBondContact CB-OD2 3.19Å; S274-D276 PolarHBondContact OG-OD2 2.97Å |
| 275 | G | 93.8 | Very high | 94.7 | Very high | 23 Ų | 23 | 58.2 Ų | 58.2 | 24% | 0.237 | 33% | 0.328 | C | S | . | . | | | trans | 91.7 | -5.5 | 177.5 | 0 | 0 | 0 | 0 | 0 | 115.7 | R271 N272 A273 | R271-G275 VanDerWaalsContact CD-O 3.27Å; R271-G275 WeakPolarHBondContact CD-O 3.36Å; R271-G275 VanDerWaalsContact CG-O 3.28Å; R271-G275 WeakPolarHBondContact CG-O 3.33Å; R271-G275 PolarHBondContact NH1-O 3.16Å; N272-G275 PolarHBondContact O-N 3.17Å; N272-G275 PolarHBondContact OD1-N 3.28Å; A273-G275 VanDerWaalsContact C-N 3.26Å; A273-G275 PolarHBondContact O-N 3.49Å |
| 276 | D | 94.6 | Very high | 95 | Very high | 63 Ų | 63 | 60.2 Ų | 60.2 | 34% | 0.337 | 33% | 0.331 | S | S | . | . | | | trans | -65.9 | 149.9 | -176.9 | -47.6 | -62.1 | 0 | 0 | 0 | 113.5 | T259 R271 N272 S274 V278 | T259-D276 HydrophobicContact CG2-CB 3.65Å; R271-D276 VanDerWaalsContact CA-O 3.26Å; R271-D276 WeakPolarHBondContact CA-O 3.37Å; N272-D276 PolarHBondContact N-O 3.38Å; N272-D276 PolarHBondContact ND2-OD2 3.39Å; N272-D276 WeakPolarHBondContact OD1-CB 3.3Å; N272-D276 PolarHBondContact OD1-N 3.38Å; N272-D276 PolarHBondContact OD1-OD2 3.09Å; S274-D276 WeakPolarHBondContact CB-OD2 3.19Å; S274-D276 PolarHBondContact OG-OD2 2.97Å; D276-V278 PolarHBondContact O-N 2.89Å |
| 277 | P | 95.7 | Very high | 95.2 | Very high | 46 Ų | 46 | 67.9 Ų | 67.9 | 30% | 0.299 | 36% | 0.362 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -65.4 | 123.7 | 174.5 | 27.3 | -34.4 | 0 | 0 | 0 | 112.4 | T256 C258 T259 W269 | T256-P277 HydrophobicContact CG2-CB 3.85Å; T256-P277 HydrophobicContact CG2-CG 4.39Å; C258-P277 WeakPolarHBondContact CA-O 3.48Å; T259-P277 PolarHBondContact N-O 3.24Å; T259-P277 VanDerWaalsContact N-O 3.08Å; W269-P277 HydrophobicContact CE3-CB 4.21Å; W269-P277 HydrophobicContact CZ3-CB 4.39Å |
| 278 | V | 96.3 | Very high | 95.5 | Very high | 9 Ų | 9 | 69.5 Ų | 69.5 | 6% | 0.055 | 37% | 0.367 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.7 | 148.7 | 169.4 | -59 | 0 | 0 | 0 | 0 | 111.5 | T259 R270 N272 D276 | T259-V278 WeakPolarHBondContact OG1-CG1 3.37Å; R270-V278 HydrophobicContact CB-CG2 3.84Å; R270-V278 PolarHBondContact N-O 2.91Å; R270-V278 PolarHBondContact O-N 3.02Å; N272-V278 HydrophobicContact CB-CG1 4.11Å; D276-V278 PolarHBondContact O-N 2.89Å |
| 279 | C | 96.1 | Very high | 95.8 | Very high | 8 Ų | 8 | 69.9 Ų | 69.9 | 5% | 0.054 | 37% | 0.366 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.2 | 159.4 | 178.4 | 83.4 | 0 | 0 | 0 | 0 | 111.1 | C258 T266 A281 C282 G283 | C258-C279 HydrophobicContact CB-CB 3.91Å; C258-C279 PolarHBondContact SG-N 2.96Å; T266-C279 HydrophobicContact CG2-CB 4.39Å; T266-C279 WeakPolarHBondContact OG1-CB 3.38Å; C279-A281 PolarHBondContact O-N 3.45Å; C279-A281 VanDerWaalsContact O-N 3.14Å; C279-C282 PolarHBondContact O-N 3.25Å; C279-C282 PolarHBondContact SG-N 3.14Å; C279-C282 VanDerWaalsContact SG-N 3.45Å; C279-G283 PolarHBondContact O-N 2.92Å |
| 280 | N | 96.4 | Very high | 95.9 | Very high | 33 Ų | 33 | 73.5 Ų | 73.5 | 18% | 0.176 | 39% | 0.385 | C | S | . | . | H | α-helix | trans | -56.1 | -34.4 | -178.8 | -176 | 62.1 | 0 | 0 | 0 | 113.6 | T266 L268 R270 L284 | T266-N280 PolarHBondContact OG1-N 3.43Å; T266-N280 VanDerWaalsContact OG1-N 3.09Å; L268-N280 HydrophobicContact CB-CB 4.12Å; L268-N280 WeakPolarHBondContact O-CB 3.28Å; L268-N280 PolarHBondContact O-N 3.28Å; L268-N280 VanDerWaalsContact O-N 3.07Å; R270-N280 PolarHBondContact NE-OD1 2.92Å; R270-N280 PolarHBondContact NH2-OD1 3.03Å; N280-L284 WeakPolarHBondContact ND2-CD1 3.47Å; N280-L284 VanDerWaalsContact O-CB 3.3Å; N280-L284 WeakPolarHBondContact O-CB 3.21Å; N280-L284 WeakPolarHBondContact O-CD1 3.16Å; N280-L284 WeakPolarHBondContact O-CG 3.45Å; N280-L284 PolarHBondContact O-N 2.84Å; N280-L284 VanDerWaalsContact O-N 3.16Å |
| 281 | A | 96.3 | Very high | 95.9 | Very high | 41 Ų | 41 | 73 Ų | 73 | 34% | 0.339 | 39% | 0.392 | S | S | . | . | H | α-helix | trans | -71 | -46.3 | -179.5 | 0 | 0 | 0 | 0 | 0 | 112.1 | C279 L284 Y285 | C279-A281 PolarHBondContact O-N 3.45Å; C279-A281 VanDerWaalsContact O-N 3.14Å; A281-L284 PolarHBondContact O-N 3.32Å; A281-Y285 WeakPolarHBondContact O-CB 3.46Å; A281-Y285 PolarHBondContact O-N 2.9Å |
| 282 | C | 96.8 | Very high | 95.9 | Very high | 4 Ų | 4 | 68.6 Ų | 68.6 | 3% | 0.027 | 38% | 0.383 | C | S | . | . | H | α-helix | trans | -67.2 | -44.9 | 179.1 | -64.9 | 0 | 0 | 0 | 0 | 111.9 | N260 C261 C279 L284 Y285 Y286 R293 | N260-C282 HydrophobicContact CB-CB 4.39Å; N260-C282 WeakPolarHBondContact OD1-CB 3.16Å; N260-C282 PolarHBondContact OD1-SG 2.72Å; C261-C282 PolarHBondContact SG-SG 3.43Å; C279-C282 PolarHBondContact O-N 3.25Å; C279-C282 PolarHBondContact SG-N 3.14Å; C279-C282 VanDerWaalsContact SG-N 3.45Å; C282-L284 VanDerWaalsContact C-N 3.31Å; C282-L284 PolarHBondContact O-N 3.09Å; C282-Y285 PolarHBondContact O-N 3.07Å; C282-Y286 WeakPolarHBondContact O-CB 3.31Å; C282-Y286 PolarHBondContact O-N 2.68Å; C282-R293 HydrophobicContact CB-CB 4.41Å |
| 283 | G | 96.4 | Very high | 96 | Very high | 16 Ų | 16 | 68.3 Ų | 68.3 | 17% | 0.165 | 38% | 0.378 | C | S | . | . | H | α-helix | trans | -67.4 | -27.1 | 178 | 0 | 0 | 0 | 0 | 0 | 114.3 | C279 K287 | C279-G283 PolarHBondContact O-N 2.92Å; G283-K287 WeakPolarHBondContact O-CB 3.49Å; G283-K287 PolarHBondContact O-N 3.07Å |
| 284 | L | 96.6 | Very high | 96.1 | Very high | 85 Ų | 85 | 65.6 Ų | 65.6 | 45% | 0.445 | 35% | 0.352 | S | S | . | . | H | α-helix | trans | -78.5 | -39.1 | 171.5 | -74.7 | 174.1 | 0 | 0 | 0 | 112.4 | N280 A281 C282 K287 L288 | N280-L284 WeakPolarHBondContact ND2-CD1 3.47Å; N280-L284 VanDerWaalsContact O-CB 3.3Å; N280-L284 WeakPolarHBondContact O-CB 3.21Å; N280-L284 WeakPolarHBondContact O-CD1 3.16Å; N280-L284 WeakPolarHBondContact O-CG 3.45Å; N280-L284 PolarHBondContact O-N 2.84Å; N280-L284 VanDerWaalsContact O-N 3.16Å; A281-L284 PolarHBondContact O-N 3.32Å; C282-L284 VanDerWaalsContact C-N 3.31Å; C282-L284 PolarHBondContact O-N 3.09Å; L284-K287 PolarHBondContact O-N 2.86Å; L284-L288 PolarHBondContact O-N 2.72Å |
| 285 | Y | 97.6 | Very high | 96.2 | Very high | 50 Ų | 50 | 66.6 Ų | 66.6 | 20% | 0.196 | 35% | 0.349 | C | S | . | . | H | α-helix | trans | -63.7 | -48.4 | 177.2 | -175.7 | -84.7 | 0 | 0 | 0 | 111.3 | A281 C282 K287 L288 H289 V291 N292 R293 P294 M297 | A281-Y285 WeakPolarHBondContact O-CB 3.46Å; A281-Y285 PolarHBondContact O-N 2.9Å; C282-Y285 PolarHBondContact O-N 3.07Å; Y285-K287 VanDerWaalsContact C-N 3.32Å; Y285-K287 PolarHBondContact O-N 3.38Å; Y285-L288 PolarHBondContact O-N 3.1Å; Y285-H289 AromaticContact CD2-CD2 3.62Å; Y285-H289 HydrophobicContact CE1-CB 4.25Å; Y285-H289 AromaticContact CE2-CD2 3.54Å; Y285-H289 AromaticContact CE2-NE2 3.92Å; Y285-H289 AromaticContact CG-CD2 3.94Å; Y285-H289 AromaticContact CZ-CD2 3.77Å; Y285-H289 PolarHBondContact O-CD2 3.04Å; Y285-H289 PolarHBondContact O-N 2.74Å; Y285-V291 WeakPolarHBondContact CD1-O 3.47Å; Y285-V291 HydrophobicContact CE1-CG2 4.13Å; Y285-V291 WeakPolarHBondContact CE1-O 3.26Å; Y285-N292 WeakPolarHBondContact CE1-O 3.2Å; Y285-R293 VanDerWaalsContact CD1-CA 3.43Å; Y285-R293 HydrophobicContact CD1-CB 3.71Å; Y285-R293 HydrophobicContact CD1-CG 4.06Å; Y285-R293 HydrophobicContact CD2-CG 4.06Å; Y285-R293 HydrophobicContact CE1-CB 4.31Å; Y285-R293 HydrophobicContact CG-CB 3.87Å; Y285-R293 HydrophobicContact CG-CG 3.78Å; Y285-P294 WeakPolarHBondContact OH-CD 3.44Å; Y285-M297 HydrophobicContact CE2-SD 3.92Å |
| 286 | Y | 97.1 | Very high | 96.2 | Very high | 89 Ų | 89 | 72 Ų | 72 | 35% | 0.349 | 38% | 0.377 | S | S | . | . | H | α-helix | trans | -59.8 | -41.1 | 176.6 | -170.8 | -88.4 | 0 | 0 | 0 | 111.7 | C282 L288 Q290 | C282-Y286 WeakPolarHBondContact O-CB 3.31Å; C282-Y286 PolarHBondContact O-N 2.68Å; Y286-L288 PolarHBondContact O-N 3.48Å; Y286-Q290 WeakPolarHBondContact CE2-O 3.26Å; Y286-Q290 WeakPolarHBondContact O-CA 3.31Å; Y286-Q290 PolarHBondContact O-N 2.85Å; Y286-Q290 PolarHBondContact OH-NE2 2.9Å |
| 287 | K | 96.2 | Very high | 96.1 | Very high | 180 Ų | 180 | 73.6 Ų | 73.6 | 78% | 0.783 | 38% | 0.384 | S | S | * | . | H | α-helix | trans | -67.6 | -18.9 | 176.2 | -178 | 159.9 | -178 | 160.9 | 0 | 114.2 | G283 L284 Y285 | G283-K287 WeakPolarHBondContact O-CB 3.49Å; G283-K287 PolarHBondContact O-N 3.07Å; L284-K287 PolarHBondContact O-N 2.86Å; Y285-K287 VanDerWaalsContact C-N 3.32Å; Y285-K287 PolarHBondContact O-N 3.38Å |
| 288 | L | 97.4 | Very high | 95.9 | Very high | 130 Ų | 130 | 76.2 Ų | 76.2 | 68% | 0.681 | 39% | 0.388 | S | S | * | . | H | α-helix | trans | -95.7 | -34.4 | 179.1 | -177.1 | 59.5 | 0 | 0 | 0 | 113 | L284 Y285 Y286 | L284-L288 PolarHBondContact O-N 2.72Å; Y285-L288 PolarHBondContact O-N 3.1Å; Y286-L288 PolarHBondContact O-N 3.48Å |
| 289 | H | 97.1 | Very high | 95.7 | Very high | 96 Ų | 96 | 82.6 Ų | 82.6 | 44% | 0.444 | 42% | 0.415 | S | S | . | . | H | α-helix | trans | -117.5 | -3.3 | -172.4 | -58.2 | -73.3 | 0 | 0 | 0 | 114.2 | Y285 V291 | Y285-H289 AromaticContact CD2-CD2 3.62Å; Y285-H289 HydrophobicContact CE1-CB 4.25Å; Y285-H289 AromaticContact CE2-CD2 3.54Å; Y285-H289 AromaticContact CE2-NE2 3.92Å; Y285-H289 AromaticContact CG-CD2 3.94Å; Y285-H289 AromaticContact CZ-CD2 3.77Å; Y285-H289 PolarHBondContact O-CD2 3.04Å; Y285-H289 PolarHBondContact O-N 2.74Å; H289-V291 HydrophobicContact CB-CG2 3.95Å; H289-V291 PolarHBondContact O-N 3.29Å |
| 290 | Q | 96.4 | Very high | 95.2 | Very high | 129 Ų | 129 | 87.2 Ų | 87.2 | 60% | 0.603 | 44% | 0.439 | S | S | * | . | S | Bend | trans | 57.5 | 2.3 | -174.3 | -155.8 | 58.2 | 27.1 | 0 | 0 | 115.9 | Y286 | Y286-Q290 WeakPolarHBondContact CE2-O 3.26Å; Y286-Q290 WeakPolarHBondContact O-CA 3.31Å; Y286-Q290 PolarHBondContact O-N 2.85Å; Y286-Q290 PolarHBondContact OH-NE2 2.9Å |
| 291 | V | 96.4 | Very high | 94.8 | Very high | 82 Ų | 82 | 87.9 Ų | 87.9 | 50% | 0.497 | 45% | 0.454 | S | S | . | . | S | Bend | trans | -116.9 | 156.6 | 178.4 | -62.6 | 0 | 0 | 0 | 0 | 112.1 | Y285 H289 | Y285-V291 WeakPolarHBondContact CD1-O 3.47Å; Y285-V291 HydrophobicContact CE1-CG2 4.13Å; Y285-V291 WeakPolarHBondContact CE1-O 3.26Å; H289-V291 HydrophobicContact CB-CG2 3.95Å; H289-V291 PolarHBondContact O-N 3.29Å |
| 292 | N | 95.5 | Very high | 94.4 | Very high | 104 Ų | 104 | 88.9 Ų | 88.9 | 56% | 0.556 | 45% | 0.453 | S | S | * | . | P | Polyproline II helix | trans | -62.2 | 146.5 | 179.8 | -74.2 | 56 | 0 | 0 | 0 | 112.1 | Y285 P294 | Y285-N292 WeakPolarHBondContact CE1-O 3.2Å; N292-P294 WeakPolarHBondContact O-CD 3.27Å |
| 293 | R | 96.9 | Very high | 94 | Very high | 50 Ų | 50 | 95.9 Ų | 95.9 | 19% | 0.189 | 49% | 0.485 | C | S | . | . | P | Polyproline II helix | trans | -70.8 | 124 | -179.8 | -167.9 | 174.3 | -175.5 | -95.3 | -2.7 | 109.7 | N260 C282 Y285 M297 | N260-R293 PolarHBondContact ND2-O 2.87Å; N260-R293 WeakPolarHBondContact OD1-CB 3.4Å; N260-R293 PolarHBondContact OD1-N 3.12Å; C282-R293 HydrophobicContact CB-CB 4.41Å; Y285-R293 VanDerWaalsContact CD1-CA 3.43Å; Y285-R293 HydrophobicContact CD1-CB 3.71Å; Y285-R293 HydrophobicContact CD1-CG 4.06Å; Y285-R293 HydrophobicContact CD2-CG 4.06Å; Y285-R293 HydrophobicContact CE1-CB 4.31Å; Y285-R293 HydrophobicContact CG-CB 3.87Å; Y285-R293 HydrophobicContact CG-CG 3.78Å; R293-M297 PolarHBondContact NH1-O 3.22Å; R293-M297 PolarHBondContact NH2-O 3.5Å |
| 294 | P | 96.1 | Very high | 93.3 | Very high | 49 Ų | 49 | 101.8 Ų | 101.8 | 32% | 0.318 | 52% | 0.518 | S | S | . | . | P | Polyproline II helix | trans | -67.8 | 141.6 | -179.9 | 27.6 | -34.4 | 0 | 0 | 0 | 110.7 | Y285 N292 T296 M297 | Y285-P294 WeakPolarHBondContact OH-CD 3.44Å; N292-P294 WeakPolarHBondContact O-CD 3.27Å; P294-T296 PolarHBondContact O-N 2.83Å; P294-M297 HydrophobicContact CG-CG 3.97Å; P294-M297 HydrophobicContact CG-SD 3.87Å; P294-M297 PolarHBondContact O-N 3.38Å; P294-M297 VanDerWaalsContact O-N 3.08Å |
| 295 | L | 94.7 | Very high | 92.7 | Very high | 112 Ų | 112 | 108.2 Ų | 108.2 | 59% | 0.586 | 54% | 0.537 | S | S | * | . | G | 310 helix | trans | -66.6 | -24.7 | -176.3 | -64.5 | 179.2 | 0 | 0 | 0 | 112.7 | C261 M297 R298 | C261-L295 HydrophobicContact CB-CD2 4.14Å; L295-M297 PolarHBondContact O-N 3.3Å; L295-M297 VanDerWaalsContact O-N 3.16Å; L295-R298 WeakPolarHBondContact O-CB 3.28Å; L295-R298 PolarHBondContact O-N 3.08Å |
| 296 | T | 94.1 | Very high | 91.6 | Very high | 135 Ų | 135 | 113.1 Ų | 113.1 | 83% | 0.828 | 57% | 0.567 | S | S | * | * | G | 310 helix | trans | -58.5 | -23 | 171.4 | 53.5 | 0 | 0 | 0 | 0 | 113.6 | P294 | P294-T296 PolarHBondContact O-N 2.83Š|
| 297 | M | 92.7 | Very high | 90.4 | Very high | 97 Ų | 97 | 119.1 Ų | 119.1 | 48% | 0.478 | 59% | 0.589 | S | S | . | * | G | 310 helix | trans | -92.2 | 0.2 | 173.5 | -62 | -176.9 | 86.9 | 0 | 0 | 113.4 | Y285 R293 P294 L295 | Y285-M297 HydrophobicContact CE2-SD 3.92Å; R293-M297 PolarHBondContact NH1-O 3.22Å; R293-M297 PolarHBondContact NH2-O 3.5Å; P294-M297 HydrophobicContact CG-CG 3.97Å; P294-M297 HydrophobicContact CG-SD 3.87Å; P294-M297 PolarHBondContact O-N 3.38Å; P294-M297 VanDerWaalsContact O-N 3.08Å; L295-M297 PolarHBondContact O-N 3.3Å; L295-M297 VanDerWaalsContact O-N 3.16Å |
| 298 | R | 91.4 | Very high | 89.2 | Confident | 102 Ų | 102 | 119.7 Ų | 119.7 | 39% | 0.385 | 59% | 0.591 | S | S | . | * | | | trans | -63.2 | 144.7 | 173.7 | 179.7 | 173.8 | 152 | 174.3 | -18.5 | 109.5 | C261 L295 D300 | C261-R298 PolarHBondContact O-NH1 2.87Å; L295-R298 WeakPolarHBondContact O-CB 3.28Å; L295-R298 PolarHBondContact O-N 3.08Å; R298-D300 IonicContact CZ-OD1 3.75Å; R298-D300 IonicContact NE-OD1 2.67Å; R298-D300 PolarHBondContact NE-OD1 3.18Å; R298-D300 IonicContact NH2-OD1 3.48Å; R298-D300 PolarHBondContact NH2-OD1 3.33Å |
| 299 | K | 91.9 | Very high | 87.3 | Confident | 142 Ų | 142 | 116.6 Ų | 116.6 | 62% | 0.617 | 58% | 0.584 | S | S | * | * | | | trans | -142.9 | 131.6 | 166.9 | -171.2 | 167.6 | -171.7 | 160.7 | 0 | 107.7 | | |
| 300 | D | 85.3 | Confident | 85.2 | Confident | 105 Ų | 105 | 117.3 Ų | 117.3 | 56% | 0.561 | 60% | 0.6 | S | S | * | * | S | Bend | trans | -80 | -23.9 | -167 | -49.6 | -80 | 0 | 0 | 0 | 112.5 | R298 | R298-D300 IonicContact CZ-OD1 3.75Å; R298-D300 IonicContact NE-OD1 2.67Å; R298-D300 PolarHBondContact NE-OD1 3.18Å; R298-D300 IonicContact NH2-OD1 3.48Å; R298-D300 PolarHBondContact NH2-OD1 3.33Å |
| 301 | G | 87.3 | Confident | 83.3 | Confident | 47 Ų | 47 | 114.8 Ų | 114.8 | 49% | 0.485 | 61% | 0.608 | S | S | . | * | S | Bend | trans | -86.6 | 126.5 | 169.9 | 0 | 0 | 0 | 0 | 0 | 112.9 | Q303 | G301-Q303 PolarHBondContact O-N 2.88Å; G301-Q303 VanDerWaalsContact O-N 3.12Å |
| 302 | I | 88.6 | Confident | 81.5 | Confident | 63 Ų | 63 | 120.6 Ų | 120.6 | 32% | 0.323 | 63% | 0.627 | S | S | . | * | | | trans | -65.7 | 109.2 | 168.6 | -62.2 | 178.3 | 0 | 0 | 0 | 109.1 | T267 T304 | T267-I302 HydrophobicContact CG2-CD1 4.49Å; T267-I302 HydrophobicContact CG2-CG2 3.57Å; I302-T304 PolarHBondContact O-N 2.76Å |
| 303 | Q | 87.5 | Confident | 79.2 | Confident | 150 Ų | 150 | 118.8 Ų | 118.8 | 70% | 0.701 | 63% | 0.633 | S | S | * | * | | | trans | -66.8 | 129.4 | 173.4 | -61.9 | -173.6 | 12.7 | 0 | 0 | 111 | G301 | G301-Q303 PolarHBondContact O-N 2.88Å; G301-Q303 VanDerWaalsContact O-N 3.12Å |
| 304 | T | 83.1 | Confident | 77.1 | Confident | 140 Ų | 140 | 126.4 Ų | 126.4 | 86% | 0.859 | 67% | 0.667 | S | S | * | * | | | trans | -90.2 | 134.8 | 168.7 | 54.3 | 0 | 0 | 0 | 0 | 109.6 | I302 | I302-T304 PolarHBondContact O-N 2.76Š|
| 305 | R | 83.2 | Confident | 74.8 | Confident | 220 Ų | 220 | 133.6 Ų | 133.6 | 83% | 0.83 | 69% | 0.693 | S | S | * | * | | | trans | -117.5 | 127.9 | 171.4 | -178.6 | 177.8 | 179.9 | 179.3 | 4.8 | 108.6 | R307 | R305-R307 PolarHBondContact O-N 3.1Š|
| 306 | N | 74.4 | Confident | 72.7 | Confident | 154 Ų | 154 | 138 Ų | 138 | 82% | 0.824 | 71% | 0.708 | S | S | * | * | | | trans | -61.9 | 112.7 | 168.8 | -171.9 | 4.3 | 0 | 0 | 0 | 108.8 | K308 | N306-K308 PolarHBondContact O-N 3.45Š|
| 307 | R | 71.9 | Confident | 70.4 | Confident | 215 Ų | 215 | 143 Ų | 143 | 81% | 0.811 | 71% | 0.712 | S | S | * | * | | | trans | -85.3 | 102 | 178.1 | -68.1 | -172.8 | -178.5 | -167.8 | 0.5 | 108 | R305 A309 | R305-R307 PolarHBondContact O-N 3.1Å; R307-A309 PolarHBondContact O-N 3.04Å |
| 308 | K | 70.9 | Confident | 68 | Low | 192 Ų | 192 | 141.4 Ų | 141.4 | 84% | 0.835 | 72% | 0.72 | S | S | * | * | | | trans | -49.5 | 127.2 | 161.6 | 66.2 | 179.1 | -178.4 | 178.5 | 0 | 107.9 | N306 S310 | N306-K308 PolarHBondContact O-N 3.45Å; K308-S310 PolarHBondContact O-N 3.42Å |
| 309 | A | 58.3 | Low | 65.8 | Low | 65 Ų | 65 | 142.7 Ų | 142.7 | 54% | 0.537 | 75% | 0.745 | S | S | . | * | | | trans | -59.4 | 114.2 | -177.3 | 0 | 0 | 0 | 0 | 0 | 108 | N238 R307 G311 | N238-A309 HydrophobicContact CB-CB 4.1Å; R307-A309 PolarHBondContact O-N 3.04Å; A309-G311 PolarHBondContact O-N 2.87Å; A309-G311 VanDerWaalsContact O-N 3.1Å |
| 310 | S | 51.7 | Low | 63.7 | Low | 111 Ų | 111 | 141.3 Ų | 141.3 | 78% | 0.776 | 75% | 0.753 | S | S | * | * | | | trans | -65.9 | 117.6 | -174.4 | -170.3 | 0 | 0 | 0 | 0 | 108.8 | K308 K312 | K308-S310 PolarHBondContact O-N 3.42Å; S310-K312 PolarHBondContact O-N 3.05Å |
| 311 | G | 57.5 | Low | 61.8 | Low | 75 Ų | 75 | 144.7 Ų | 144.7 | 77% | 0.773 | 77% | 0.77 | S | S | * | * | | | trans | -67.9 | 77.4 | 174.4 | 0 | 0 | 0 | 0 | 0 | 109.9 | A309 G313 | A309-G311 PolarHBondContact O-N 2.87Å; A309-G311 VanDerWaalsContact O-N 3.1Å; G311-G313 WeakPolarHBondContact O-CA 3.49Å; G311-G313 PolarHBondContact O-N 3.06Å |
| 312 | K | 58.2 | Low | 59.4 | Low | 205 Ų | 205 | 146.7 Ų | 146.7 | 89% | 0.891 | 79% | 0.79 | S | S | * | * | | | trans | -58.7 | 109.3 | 179 | -166.8 | 173.7 | -176.7 | -178.5 | 0 | 107.4 | S310 K314 | S310-K312 PolarHBondContact O-N 3.05Å; K312-K314 PolarHBondContact O-N 2.81Å |
| 313 | G | 48.4 | Very low | 56.8 | Low | 66 Ų | 66 | 147.5 Ų | 147.5 | 68% | 0.68 | 82% | 0.815 | S | S | * | * | | | trans | -58.3 | 133.5 | -150.6 | 0 | 0 | 0 | 0 | 0 | 114.1 | G311 K315 | G311-G313 WeakPolarHBondContact O-CA 3.49Å; G311-G313 PolarHBondContact O-N 3.06Å; G313-K315 PolarHBondContact O-N 2.97Å |
| 314 | K | 52.3 | Low | 54.5 | Low | 209 Ų | 209 | 147.6 Ų | 147.6 | 91% | 0.909 | 83% | 0.826 | S | S | * | * | | | trans | -63.4 | 81.8 | 154.6 | -76.9 | -177.2 | 177.2 | 176.3 | 0 | 108.1 | K312 K316 | K312-K314 PolarHBondContact O-N 2.81Å; K314-K316 PolarHBondContact O-N 3.32Å |
| 315 | K | 47 | Very low | 52.1 | Low | 200 Ų | 200 | 144.8 Ų | 144.8 | 87% | 0.87 | 82% | 0.824 | S | S | * | * | | | trans | -57.8 | 111.9 | 154.8 | -112.2 | -170.7 | 176.3 | -173.6 | 0 | 105.2 | G313 R317 | G313-K315 PolarHBondContact O-N 2.97Å; K315-R317 VanDerWaalsContact C-N 3.32Å; K315-R317 PolarHBondContact O-N 3.1Å |
| 316 | K | 50.5 | Low | 49.9 | Very low | 205 Ų | 205 | 139.6 Ų | 139.6 | 89% | 0.891 | 83% | 0.828 | S | S | * | * | | | trans | -58.8 | 100.9 | 166 | -76.1 | -175.5 | 176.9 | -178.5 | 0 | 106.2 | K314 G318 | K314-K316 PolarHBondContact O-N 3.32Å; K316-G318 PolarHBondContact O-N 2.77Å |
| 317 | R | 46.8 | Very low | 48.1 | Very low | 240 Ų | 240 | 137.1 Ų | 137.1 | 91% | 0.906 | 83% | 0.829 | S | S | * | * | | | trans | -68.7 | 112.2 | 152.2 | -72.9 | -174.7 | 178.4 | -98.8 | 5.6 | 104.1 | K315 | K315-R317 VanDerWaalsContact C-N 3.32Å; K315-R317 PolarHBondContact O-N 3.1Å |
| 318 | G | 42.7 | Very low | 46.4 | Very low | 64 Ų | 64 | 136.3 Ų | 136.3 | 66% | 0.66 | 84% | 0.835 | S | S | * | * | | | trans | -62.4 | 139 | 177.3 | 0 | 0 | 0 | 0 | 0 | 109.6 | K316 S320 | K316-G318 PolarHBondContact O-N 2.77Å; G318-S320 PolarHBondContact O-N 3.28Å |
| 319 | S | 43.5 | Very low | 44.6 | Very low | 129 Ų | 129 | 130.6 Ų | 130.6 | 90% | 0.902 | 83% | 0.83 | S | S | * | * | | | trans | -74.9 | 108.2 | 166.4 | -60 | 0 | 0 | 0 | 0 | 108 | | |
| 320 | S | 47.7 | Very low | 44.4 | Very low | 112 Ų | 112 | 133.6 Ų | 133.6 | 78% | 0.783 | 84% | 0.844 | S | S | * | * | | | trans | -111.8 | 77.1 | 172.1 | 57.7 | 0 | 0 | 0 | 0 | 109.4 | G318 | G318-S320 PolarHBondContact O-N 3.28Š|
| 321 | L | 46.7 | Very low | 43.6 | Very low | 177 Ų | 177 | 133.1 Ų | 133.1 | 93% | 0.927 | 85% | 0.847 | S | S | * | * | | | trans | -145.7 | 133.7 | 172.3 | -76.1 | 177.9 | 0 | 0 | 0 | 108.8 | | |
| 322 | G | 36.5 | Very low | 42.5 | Very low | 88 Ų | 88 | 133.7 Ų | 133.7 | 91% | 0.907 | 85% | 0.853 | S | S | * | * | | | trans | 94.7 | 116.8 | 176.7 | 0 | 0 | 0 | 0 | 0 | 113.7 | | |
| 323 | G | 33.8 | Very low | 41.4 | Very low | 81 Ų | 81 | 127.8 Ų | 127.8 | 84% | 0.835 | 85% | 0.85 | S | S | * | * | | | trans | 162.5 | 54.5 | -177.7 | 0 | 0 | 0 | 0 | 0 | 113.3 | | |
| 324 | T | 38.7 | Very low | 40.8 | Very low | 152 Ų | 152 | 133.7 Ų | 133.7 | 93% | 0.933 | 86% | 0.858 | S | S | * | * | | | trans | -74.8 | 131.9 | 178.1 | 45.3 | 0 | 0 | 0 | 0 | 111.8 | | |
| 325 | G | 33.4 | Very low | 40.2 | Very low | 80 Ų | 80 | 132 Ų | 132 | 83% | 0.825 | 86% | 0.855 | S | S | * | * | | | trans | -143.6 | 135.2 | 165.3 | 0 | 0 | 0 | 0 | 0 | 109.1 | | |
| 326 | A | 37.4 | Very low | 40.2 | Very low | 111 Ų | 111 | 128.8 Ų | 128.8 | 92% | 0.917 | 85% | 0.852 | S | S | * | * | | | trans | -112.5 | 140.4 | -175.8 | 0 | 0 | 0 | 0 | 0 | 111.2 | | |
| 327 | A | 36.8 | Very low | 39.6 | Very low | 102 Ų | 102 | 126 Ų | 126 | 84% | 0.843 | 85% | 0.851 | S | S | * | * | | | trans | -150.6 | 163.2 | 166.7 | 0 | 0 | 0 | 0 | 0 | 108.5 | | |
| 328 | E | 35.2 | Very low | 39.1 | Very low | 199 Ų | 199 | 119.3 Ų | 119.3 | 93% | 0.93 | 85% | 0.848 | S | S | * | * | | | trans | -79.5 | 171 | -158.3 | -62.6 | 166.9 | 111.3 | 0 | 0 | 115.1 | | |
| 329 | G | 33.9 | Very low | 38.6 | Very low | 72 Ų | 72 | 120.2 Ų | 120.2 | 74% | 0.742 | 86% | 0.857 | S | S | * | * | | | trans | -86.5 | -150.3 | -179.9 | 0 | 0 | 0 | 0 | 0 | 114.2 | | |
| 330 | P | 53 | Low | 38 | Very low | 128 Ų | 128 | 117.5 Ų | 117.5 | 83% | 0.831 | 85% | 0.849 | S | S | * | * | | | cis | -139.6 | -174.1 | 20 | 43.7 | -25.8 | 0 | 0 | 0 | 117.1 | | |
| 331 | A | 36.7 | Very low | 37.6 | Very low | 101 Ų | 101 | 118.7 Ų | 118.7 | 84% | 0.835 | 86% | 0.858 | S | S | * | * | | | trans | 80.6 | 137.1 | 153.4 | 0 | 0 | 0 | 0 | 0 | 120.7 | | |
| 332 | G | 34 | Very low | 36.9 | Very low | 87 Ų | 87 | 114.1 Ų | 114.1 | 90% | 0.897 | 85% | 0.853 | S | S | * | * | | | trans | 96.1 | 109.8 | 170.6 | 0 | 0 | 0 | 0 | 0 | 115.5 | | |
| 333 | G | 34.5 | Very low | 37.2 | Very low | 81 Ų | 81 | 116.3 Ų | 116.3 | 84% | 0.835 | 85% | 0.854 | S | S | * | * | | | cis | 142.9 | 44 | -8.3 | 0 | 0 | 0 | 0 | 0 | 116.5 | | |
| 334 | F | 35.1 | Very low | 37.1 | Very low | 190 Ų | 190 | 116.4 Ų | 116.4 | 83% | 0.833 | 86% | 0.856 | S | S | * | * | | | trans | -149.9 | 146.1 | 168.3 | -164.2 | -108.6 | 0 | 0 | 0 | 112.7 | V336 | F334-V336 HydrophobicContact CE1-CG1 4.14Å; F334-V336 HydrophobicContact CE1-CG2 4.33Å |
| 335 | M | 40.9 | Very low | 37.1 | Very low | 172 Ų | 172 | 116.2 Ų | 116.2 | 85% | 0.847 | 85% | 0.849 | S | S | * | * | | | trans | -121.1 | 141.8 | 176.4 | -65.5 | -170.3 | -64.3 | 0 | 0 | 110.8 | | |
| 336 | V | 46.6 | Very low | 37.1 | Very low | 133 Ų | 133 | 118.1 Ų | 118.1 | 81% | 0.806 | 85% | 0.848 | S | S | * | * | | | trans | -144.7 | 154.4 | 148.7 | -91.9 | 0 | 0 | 0 | 0 | 109.3 | F334 | F334-V336 HydrophobicContact CE1-CG1 4.14Å; F334-V336 HydrophobicContact CE1-CG2 4.33Å |
| 337 | V | 38.7 | Very low | 36.8 | Very low | 146 Ų | 146 | 116.5 Ų | 116.5 | 89% | 0.885 | 84% | 0.842 | S | S | * | * | | | trans | -92.4 | 156 | -161.6 | 172.5 | 0 | 0 | 0 | 0 | 112.7 | | |
| 338 | A | 36.2 | Very low | 36.8 | Very low | 101 Ų | 101 | 120.4 Ų | 120.4 | 84% | 0.835 | 84% | 0.843 | S | S | * | * | | | trans | -71.1 | 150.5 | 178.8 | 0 | 0 | 0 | 0 | 0 | 114 | | |
| 339 | G | 30.5 | Very low | 36.8 | Very low | 82 Ų | 82 | 117.7 Ų | 117.7 | 85% | 0.845 | 84% | 0.84 | S | S | * | * | | | trans | -138.1 | 141.3 | 160.9 | 0 | 0 | 0 | 0 | 0 | 108.5 | | |
| 340 | G | 32.9 | Very low | 36.7 | Very low | 72 Ų | 72 | 118.5 Ų | 118.5 | 74% | 0.742 | 84% | 0.839 | S | S | * | * | | | trans | -138.7 | -172.5 | -170.3 | 0 | 0 | 0 | 0 | 0 | 114.2 | | |
| 341 | S | 38.2 | Very low | 36.1 | Very low | 138 Ų | 138 | 118.5 Ų | 118.5 | 97% | 0.965 | 84% | 0.843 | S | S | * | * | | | trans | 67.6 | 126.1 | 174.8 | -59.4 | 0 | 0 | 0 | 0 | 116.5 | | |
| 342 | G | 32.5 | Very low | 35.7 | Very low | 80 Ų | 80 | 117.5 Ų | 117.5 | 83% | 0.825 | 84% | 0.842 | S | S | * | * | | | trans | 179.8 | 78.8 | 178.1 | 0 | 0 | 0 | 0 | 0 | 112.9 | | |
| 343 | S | 42.4 | Very low | 35.9 | Very low | 134 Ų | 134 | 122 Ų | 122 | 94% | 0.937 | 84% | 0.844 | S | S | * | * | | | trans | -80 | 125.3 | 170.5 | 52.8 | 0 | 0 | 0 | 0 | 110.7 | | |
| 344 | G | 32.5 | Very low | 35.9 | Very low | 84 Ų | 84 | 124.9 Ų | 124.9 | 87% | 0.866 | 85% | 0.846 | S | S | * | * | | | trans | -146.8 | 141.8 | 176.3 | 0 | 0 | 0 | 0 | 0 | 111.8 | | |
| 345 | N | 37.4 | Very low | 35.9 | Very low | 147 Ų | 147 | 123.9 Ų | 123.9 | 79% | 0.786 | 85% | 0.849 | S | S | * | * | | | trans | -123.8 | 152.8 | -178.3 | 175.1 | 46.4 | 0 | 0 | 0 | 110.3 | | |
| 346 | C | 33.6 | Very low | 35.3 | Very low | 120 Ų | 120 | 118.8 Ų | 118.8 | 81% | 0.811 | 84% | 0.84 | S | S | * | * | | | trans | 54.7 | 167.3 | 168.6 | 72.9 | 0 | 0 | 0 | 0 | 117.8 | | |
| 347 | G | 31.7 | Very low | 36.1 | Very low | 77 Ų | 77 | 118.5 Ų | 118.5 | 79% | 0.794 | 84% | 0.841 | S | S | * | * | | | trans | 141.8 | 75.7 | 177.1 | 0 | 0 | 0 | 0 | 0 | 114.7 | | |
| 348 | E | 36.3 | Very low | 36.9 | Very low | 184 Ų | 184 | 117.4 Ų | 117.4 | 86% | 0.86 | 84% | 0.837 | S | S | * | * | | | trans | -78.1 | 137.4 | 160.2 | 172.8 | -168.4 | 125.7 | 0 | 0 | 109.6 | | |
| 349 | V | 34.7 | Very low | 36.8 | Very low | 143 Ų | 143 | 115.7 Ų | 115.7 | 87% | 0.867 | 83% | 0.83 | S | S | * | * | | | trans | -176.6 | 168.4 | 135.7 | -91.4 | 0 | 0 | 0 | 0 | 109.9 | | |
| 350 | A | 32.9 | Very low | 37.2 | Very low | 88 Ų | 88 | 119.2 Ų | 119.2 | 73% | 0.727 | 84% | 0.835 | S | S | * | * | | | trans | -126.3 | 164.8 | -176.3 | 0 | 0 | 0 | 0 | 0 | 113.5 | | |
| 351 | S | 39.3 | Very low | 37.4 | Very low | 129 Ų | 129 | 120.1 Ų | 120.1 | 90% | 0.902 | 84% | 0.835 | S | S | * | * | | | trans | 68 | 121 | 160.3 | -59 | 0 | 0 | 0 | 0 | 119.1 | | |
| 352 | G | 30 | Very low | 37.3 | Very low | 79 Ų | 79 | 123 Ų | 123 | 81% | 0.814 | 83% | 0.833 | S | S | * | * | | | trans | -156.8 | 130.6 | 164.4 | 0 | 0 | 0 | 0 | 0 | 110.4 | | |
| 353 | L | 36.2 | Very low | 37.5 | Very low | 181 Ų | 181 | 125.6 Ų | 125.6 | 95% | 0.948 | 83% | 0.827 | S | S | * | * | | | trans | -103.6 | 153.1 | -177 | -66.4 | 166 | 0 | 0 | 0 | 111.1 | | |
| 354 | T | 35 | Very low | 37 | Very low | 143 Ų | 143 | 129.4 Ų | 129.4 | 88% | 0.877 | 82% | 0.823 | S | S | * | * | | | trans | -151.6 | 165.5 | 153.9 | -162.9 | 0 | 0 | 0 | 0 | 111.4 | | |
| 355 | L | 35.1 | Very low | 37.4 | Very low | 168 Ų | 168 | 132.9 Ų | 132.9 | 88% | 0.88 | 82% | 0.816 | S | S | * | * | | | trans | -117.6 | 156.7 | -163.1 | -66.9 | 150 | 0 | 0 | 0 | 112.4 | | |
| 356 | G | 28.4 | Very low | 37.3 | Very low | 65 Ų | 65 | 129 Ų | 129 | 67% | 0.67 | 81% | 0.812 | S | S | * | * | | | trans | -111 | -144.5 | 164.1 | 0 | 0 | 0 | 0 | 0 | 110.7 | | |
| 357 | P | 63.7 | Low | 37.5 | Very low | 127 Ų | 127 | 131.9 Ų | 131.9 | 83% | 0.825 | 82% | 0.818 | S | S | * | * | | | cis | -94.7 | -120.3 | -11.5 | 40.4 | -30.8 | 0 | 0 | 0 | 109.1 | | |
| 358 | P | 55.8 | Low | 37.5 | Very low | 123 Ų | 123 | 131.5 Ų | 131.5 | 80% | 0.799 | 81% | 0.814 | S | S | * | * | | | cis | -97.7 | -176.7 | -8.7 | 41.6 | -34.1 | 0 | 0 | 0 | 113.1 | | |
| 359 | G | 34.7 | Very low | 38.5 | Very low | 66 Ų | 66 | 128.4 Ų | 128.4 | 68% | 0.68 | 81% | 0.81 | S | S | * | * | | | cis | 129.2 | 87.4 | -11 | 0 | 0 | 0 | 0 | 0 | 115.8 | | |
| 360 | T | 37.4 | Very low | 38.6 | Very low | 156 Ų | 156 | 128.9 Ų | 128.9 | 96% | 0.957 | 81% | 0.812 | S | S | * | * | | | trans | -156.8 | 160.6 | 159.8 | 10.1 | 0 | 0 | 0 | 0 | 109.8 | | |
| 361 | A | 36.8 | Very low | 38.8 | Very low | 91 Ų | 91 | 129.7 Ų | 129.7 | 75% | 0.752 | 81% | 0.808 | S | S | * | * | | | trans | -134.9 | 164.6 | -163.4 | 0 | 0 | 0 | 0 | 0 | 114.5 | | |
| 362 | H | 36.4 | Very low | 38.7 | Very low | 199 Ų | 199 | 132.1 Ų | 132.1 | 92% | 0.921 | 81% | 0.81 | S | S | * | * | | | trans | -146.8 | 160.8 | 157.3 | -126.4 | -92.5 | 0 | 0 | 0 | 111.2 | | |
| 363 | L | 37.5 | Very low | 39.1 | Very low | 134 Ų | 134 | 133.5 Ų | 133.5 | 70% | 0.702 | 81% | 0.808 | S | S | * | * | | | trans | -153 | 131.2 | -153.6 | -172.3 | 178.2 | 0 | 0 | 0 | 110.5 | | |
| 364 | Y | 32.1 | Very low | 39.1 | Very low | 213 Ų | 213 | 128.3 Ų | 128.3 | 84% | 0.835 | 80% | 0.798 | S | S | * | * | | | trans | -168.1 | 157.9 | 146.3 | -130.3 | -104.2 | 0 | 0 | 0 | 114.8 | | |
| 365 | Q | 40.3 | Very low | 40.2 | Very low | 157 Ų | 157 | 127.3 Ų | 127.3 | 73% | 0.734 | 79% | 0.793 | S | S | * | * | | | trans | -91.6 | -176.3 | 169.1 | -57.2 | 111.6 | -43.4 | 0 | 0 | 110.8 | | |
| 366 | G | 34.6 | Very low | 40.6 | Very low | 67 Ų | 67 | 125.7 Ų | 125.7 | 69% | 0.691 | 79% | 0.79 | S | S | * | * | | | cis | -154.2 | -164.3 | -2.6 | 0 | 0 | 0 | 0 | 0 | 107.5 | | |
| 367 | L | 38.9 | Very low | 41.1 | Very low | 180 Ų | 180 | 127.7 Ų | 127.7 | 94% | 0.942 | 79% | 0.794 | S | S | * | * | | | cis | -153.8 | 174 | 20.1 | -70.8 | 164 | 0 | 0 | 0 | 109.4 | | |
| 368 | G | 31 | Very low | 40.1 | Very low | 69 Ų | 69 | 130 Ų | 130 | 71% | 0.711 | 79% | 0.793 | S | S | * | * | | | trans | -95.3 | -146.7 | 166.4 | 0 | 0 | 0 | 0 | 0 | 112.5 | | |
| 369 | P | 57.3 | Low | 39.2 | Very low | 119 Ų | 119 | 132.1 Ų | 132.1 | 77% | 0.773 | 80% | 0.797 | S | S | * | * | | | cis | -139.3 | 172.2 | -8.5 | 42.4 | -26.3 | 0 | 0 | 0 | 115.3 | | |
| 370 | V | 37.2 | Very low | 39.5 | Very low | 152 Ų | 152 | 137.3 Ų | 137.3 | 92% | 0.921 | 81% | 0.806 | S | S | * | * | | | trans | -140.1 | 147.7 | 148.9 | -177.8 | 0 | 0 | 0 | 0 | 108.6 | | |
| 371 | V | 36.1 | Very low | 40.4 | Very low | 106 Ų | 106 | 135.7 Ų | 135.7 | 64% | 0.642 | 80% | 0.798 | S | S | * | * | | | trans | -107.7 | 146.1 | -166.7 | 178.4 | 0 | 0 | 0 | 0 | 112.3 | | |
| 372 | L | 38.3 | Very low | 40.7 | Very low | 179 Ų | 179 | 140.8 Ų | 140.8 | 94% | 0.937 | 80% | 0.804 | S | S | * | * | | | trans | -139.8 | 129 | 153.8 | -142.3 | 76.3 | 0 | 0 | 0 | 109.5 | | |
| 373 | S | 39 | Very low | 41.4 | Very low | 109 Ų | 109 | 137.3 Ų | 137.3 | 76% | 0.762 | 80% | 0.799 | S | S | * | * | | | trans | -107.5 | 165.7 | -171.7 | -60 | 0 | 0 | 0 | 0 | 113.2 | | |
| 374 | G | 35.8 | Very low | 41.3 | Very low | 72 Ų | 72 | 134 Ų | 134 | 74% | 0.742 | 80% | 0.796 | S | S | * | * | | | trans | -90.4 | -127.4 | -172.8 | 0 | 0 | 0 | 0 | 0 | 116.3 | | |
| 375 | P | 58.5 | Low | 42.6 | Very low | 121 Ų | 121 | 129.5 Ų | 129.5 | 79% | 0.786 | 79% | 0.793 | S | S | * | * | | | | -129.3 | 162.2 | -99 | 39.2 | -28.4 | 0 | 0 | 0 | 117 | | |
| 376 | V | 42.5 | Very low | 42.5 | Very low | 134 Ų | 134 | 129.1 Ų | 129.1 | 81% | 0.812 | 80% | 0.796 | S | S | * | * | | | trans | 27.6 | 118.8 | 150.9 | -176.1 | 0 | 0 | 0 | 0 | 119.4 | | |
| 377 | S | 39.7 | Very low | 42.7 | Very low | 108 Ų | 108 | 134 Ų | 134 | 76% | 0.755 | 81% | 0.805 | S | S | * | * | | | trans | -169 | 144.3 | 131.6 | -87.2 | 0 | 0 | 0 | 0 | 115.3 | | |
| 378 | H | 41.6 | Very low | 42.5 | Very low | 174 Ų | 174 | 129.1 Ų | 129.1 | 81% | 0.806 | 80% | 0.798 | S | S | * | * | | | trans | 13.7 | 125 | 154.8 | -78 | -103.8 | 0 | 0 | 0 | 121.8 | | |
| 379 | L | 36.8 | Very low | 43.1 | Very low | 168 Ų | 168 | 131.3 Ų | 131.3 | 88% | 0.88 | 80% | 0.802 | S | S | * | * | | | | 175.3 | 160.3 | 107.5 | -94.1 | 167.2 | 0 | 0 | 0 | 113 | | |
| 380 | M | 42.2 | Very low | 42.9 | Very low | 176 Ų | 176 | 131.9 Ų | 131.9 | 87% | 0.867 | 81% | 0.807 | S | S | * | * | | | trans | -118.8 | 148.8 | 165.8 | -72.4 | -80.5 | -174.3 | 0 | 0 | 107.6 | | |
| 381 | P | 56.4 | Low | 43.1 | Very low | 122 Ų | 122 | 130.8 Ų | 130.8 | 79% | 0.792 | 80% | 0.8 | S | S | * | * | | | | -150.7 | 176.3 | 95.7 | 38.5 | -20 | 0 | 0 | 0 | 117.2 | | |
| 382 | F | 41.7 | Very low | 43.1 | Very low | 198 Ų | 198 | 128.8 Ų | 128.8 | 87% | 0.868 | 80% | 0.801 | S | S | * | * | | | trans | -32.2 | 155.1 | 164.2 | -80.8 | -79.7 | 0 | 0 | 0 | 117.6 | | |
| 383 | P | 52.7 | Low | 43.2 | Very low | 126 Ų | 126 | 125.6 Ų | 125.6 | 82% | 0.818 | 79% | 0.794 | S | S | * | * | | | | -143.8 | 176.4 | 54.3 | 41.1 | -21.9 | 0 | 0 | 0 | 118.9 | | |
| 384 | G | 34.7 | Very low | 43.3 | Very low | 63 Ų | 63 | 130 Ų | 130 | 65% | 0.649 | 80% | 0.799 | S | S | * | * | | | trans | -110 | -147.3 | 161.3 | 0 | 0 | 0 | 0 | 0 | 110.6 | | |
| 385 | P | 59.5 | Low | 44.4 | Very low | 119 Ų | 119 | 132.4 Ų | 132.4 | 77% | 0.773 | 80% | 0.802 | S | S | * | * | | | cis | -128.6 | -170.5 | -6.4 | 42.8 | -27.4 | 0 | 0 | 0 | 113 | | |
| 386 | L | 37.7 | Very low | 44.1 | Very low | 150 Ų | 150 | 133.6 Ų | 133.6 | 79% | 0.785 | 81% | 0.808 | S | S | * | * | | | | 173.1 | 146.4 | 125.8 | -93.5 | 173.3 | 0 | 0 | 0 | 114.1 | | |
| 387 | L | 39.2 | Very low | 44.1 | Very low | 169 Ų | 169 | 130.2 Ų | 130.2 | 89% | 0.885 | 80% | 0.8 | S | S | * | * | | | trans | 54.6 | 128.9 | 154.1 | -69.8 | 160.8 | 0 | 0 | 0 | 121.4 | | |
| 388 | G | 33.9 | Very low | 45 | Very low | 77 Ų | 77 | 131.2 Ų | 131.2 | 79% | 0.794 | 80% | 0.804 | S | S | * | * | | | trans | 148.7 | 61.1 | 158.8 | 0 | 0 | 0 | 0 | 0 | 118.2 | | |
| 389 | S | 44.9 | Very low | 45.8 | Very low | 115 Ų | 115 | 131.1 Ų | 131.1 | 80% | 0.804 | 81% | 0.806 | S | S | * | * | | | trans | -101.6 | 153.7 | 162.9 | -55 | 0 | 0 | 0 | 0 | 110.3 | | |
| 390 | P | 52.6 | Low | 47.1 | Very low | 132 Ų | 132 | 128.4 Ų | 128.4 | 86% | 0.857 | 80% | 0.798 | S | S | * | * | | | | -135.4 | 160.6 | 94.1 | 38.2 | -28.3 | 0 | 0 | 0 | 114.7 | | |
| 391 | T | 40.8 | Very low | 48 | Very low | 128 Ų | 128 | 125.6 Ų | 125.6 | 79% | 0.785 | 79% | 0.793 | S | S | * | * | | | trans | -80.2 | 129.2 | 178.7 | 47.7 | 0 | 0 | 0 | 0 | 112.5 | | |
| 392 | G | 36.8 | Very low | 47.7 | Very low | 65 Ų | 65 | 126.4 Ų | 126.4 | 67% | 0.67 | 80% | 0.796 | S | S | * | * | | | trans | -112.8 | 82.7 | 171.8 | 0 | 0 | 0 | 0 | 0 | 112.3 | | |
| 393 | S | 39.8 | Very low | 48.2 | Very low | 111 Ų | 111 | 123 Ų | 123 | 78% | 0.776 | 79% | 0.791 | S | S | * | * | | | trans | -81.7 | 114.1 | -178.6 | -54.3 | 0 | 0 | 0 | 0 | 111.7 | | |
| 394 | F | 41.3 | Very low | 48 | Very low | 201 Ų | 201 | 122.2 Ų | 122.2 | 88% | 0.882 | 79% | 0.789 | S | S | * | * | P | Polyproline II helix | trans | -99.5 | 121.1 | 172.1 | -75.2 | -79.7 | 0 | 0 | 0 | 111.1 | | |
| 395 | P | 59 | Low | 48.6 | Very low | 124 Ų | 124 | 123.7 Ų | 123.7 | 81% | 0.805 | 80% | 0.795 | S | S | * | * | P | Polyproline II helix | trans | -80.3 | 146.7 | 178.6 | 32.2 | -34.5 | 0 | 0 | 0 | 112.3 | G397 | P395-G397 PolarHBondContact O-N 3.21Š|
| 396 | T | 52.7 | Low | 48.2 | Very low | 146 Ų | 146 | 123.7 Ų | 123.7 | 90% | 0.896 | 79% | 0.793 | S | S | * | * | P | Polyproline II helix | trans | -71.8 | 117.5 | 176.3 | -26.8 | 0 | 0 | 0 | 0 | 111 | | |
| 397 | G | 42.5 | Very low | 48.8 | Very low | 63 Ų | 63 | 123 Ų | 123 | 65% | 0.649 | 80% | 0.795 | S | S | * | * | P | Polyproline II helix | trans | -80.8 | 153.2 | 173.8 | 0 | 0 | 0 | 0 | 0 | 113.2 | P395 | P395-G397 PolarHBondContact O-N 3.21Š|
| 398 | P | 57.8 | Low | 49.6 | Very low | 129 Ų | 129 | 120.8 Ų | 120.8 | 84% | 0.838 | 79% | 0.788 | S | S | * | * | P | Polyproline II helix | trans | -74.9 | 157.2 | -174.8 | -16.5 | 32 | 0 | 0 | 0 | 114.8 | | |
| 399 | M | 58.8 | Low | 50.6 | Low | 172 Ų | 172 | 120.9 Ų | 120.9 | 85% | 0.847 | 78% | 0.781 | S | S | * | * | P | Polyproline II helix | trans | -67.3 | 145.1 | 166.5 | -75.3 | 169.1 | 50.5 | 0 | 0 | 111.8 | | |
| 400 | P | 64.9 | Low | 51.4 | Low | 110 Ų | 110 | 121.2 Ų | 121.2 | 71% | 0.714 | 78% | 0.781 | S | S | * | * | P | Polyproline II helix | trans | -72.2 | 142.6 | 164.8 | 31.5 | -33.7 | 0 | 0 | 0 | 110.7 | | |
| 401 | P | 59.9 | Low | 51.4 | Low | 118 Ų | 118 | 123.1 Ų | 123.1 | 77% | 0.766 | 78% | 0.783 | S | S | * | * | P | Polyproline II helix | trans | -76.7 | 123.6 | 175.6 | 30.1 | -33.1 | 0 | 0 | 0 | 111.3 | T403 | P401-T403 PolarHBondContact O-N 3.17Š|
| 402 | T | 49.8 | Very low | 52 | Low | 138 Ų | 138 | 122.7 Ų | 122.7 | 85% | 0.847 | 79% | 0.785 | S | S | * | * | | | trans | -72 | 106.1 | 170.3 | -52.7 | 0 | 0 | 0 | 0 | 109.7 | S404 | T402-S404 PolarHBondContact O-N 2.61Š|
| 403 | T | 53 | Low | 53 | Low | 127 Ų | 127 | 128.9 Ų | 128.9 | 78% | 0.779 | 82% | 0.818 | S | S | * | * | | | trans | -72.7 | 108.8 | 176.4 | 44.7 | 0 | 0 | 0 | 0 | 111.5 | P401 A405 | P401-T403 PolarHBondContact O-N 3.17Å; T403-A405 PolarHBondContact O-N 3.12Å; T403-A405 VanDerWaalsContact O-N 3.09Å |
| 404 | S | 47.5 | Very low | 53.7 | Low | 109 Ų | 109 | 129.8 Ų | 129.8 | 76% | 0.762 | 82% | 0.82 | S | S | * | * | | | trans | -67.8 | 99.4 | 173.7 | -58.8 | 0 | 0 | 0 | 0 | 111.6 | T402 T406 | T402-S404 PolarHBondContact O-N 2.61Å; S404-T406 PolarHBondContact O-N 2.75Å; S404-T406 VanDerWaalsContact O-N 3.09Å |
| 405 | A | 47.5 | Very low | 54.4 | Low | 94 Ų | 94 | 126 Ų | 126 | 78% | 0.777 | 82% | 0.817 | S | S | * | * | | | trans | -78.4 | 87 | 174.8 | 0 | 0 | 0 | 0 | 0 | 111.2 | T403 V407 | T403-A405 PolarHBondContact O-N 3.12Å; T403-A405 VanDerWaalsContact O-N 3.09Å; A405-V407 PolarHBondContact O-N 3.46Å; A405-V407 VanDerWaalsContact O-N 3.11Å |
| 406 | T | 52.1 | Low | 54.1 | Low | 120 Ų | 120 | 126.1 Ų | 126.1 | 74% | 0.736 | 82% | 0.817 | S | S | * | * | | | trans | -69.5 | 102 | 171.9 | -56.6 | 0 | 0 | 0 | 0 | 110.1 | S404 V408 | S404-T406 PolarHBondContact O-N 2.75Å; S404-T406 VanDerWaalsContact O-N 3.09Å; T406-V408 HydrophobicContact CG2-CG2 4.32Å; T406-V408 PolarHBondContact O-N 3.39Å |
| 407 | V | 50.4 | Low | 54.2 | Low | 136 Ų | 136 | 124.9 Ų | 124.9 | 82% | 0.824 | 81% | 0.813 | S | S | * | * | | | trans | -76.7 | 101.8 | 171.4 | -179.9 | 0 | 0 | 0 | 0 | 108.9 | A405 | A405-V407 PolarHBondContact O-N 3.46Å; A405-V407 VanDerWaalsContact O-N 3.11Å |
| 408 | V | 54.7 | Low | 54.9 | Low | 121 Ų | 121 | 128.8 Ų | 128.8 | 73% | 0.733 | 82% | 0.823 | S | S | * | * | P | Polyproline II helix | trans | -76.8 | 119.2 | 168.4 | 179.7 | 0 | 0 | 0 | 0 | 108.3 | T406 | T406-V408 HydrophobicContact CG2-CG2 4.32Å; T406-V408 PolarHBondContact O-N 3.39Å |
| 409 | A | 55.8 | Low | 54.7 | Low | 80 Ų | 80 | 128.8 Ų | 128.8 | 66% | 0.661 | 82% | 0.822 | S | S | * | * | P | Polyproline II helix | trans | -77.4 | 135.1 | 170.6 | 0 | 0 | 0 | 0 | 0 | 109.9 | | |
| 410 | P | 61.9 | Low | 54.4 | Low | 122 Ų | 122 | 125.7 Ų | 125.7 | 79% | 0.792 | 82% | 0.82 | S | S | * | * | P | Polyproline II helix | trans | -69.7 | 138.5 | 173.1 | 29.3 | -33.5 | 0 | 0 | 0 | 110.6 | | |
| 411 | L | 51.9 | Low | 53.6 | Low | 172 Ų | 172 | 126.9 Ų | 126.9 | 90% | 0.901 | 83% | 0.828 | S | S | * | * | P | Polyproline II helix | trans | -71.7 | 127 | 166.2 | -76.5 | 154.2 | 0 | 0 | 0 | 109.2 | | |
| 412 | S | 54.9 | Low | 53.1 | Low | 118 Ų | 118 | 127.7 Ų | 127.7 | 83% | 0.825 | 83% | 0.833 | S | S | * | * | P | Polyproline II helix | trans | -79.6 | 145.6 | 160.2 | -64.8 | 0 | 0 | 0 | 0 | 109.7 | | |
| 413 | S | 57.6 | Low | 53.4 | Low | 195 Ų | 195 | 126.7 Ų | 126.7 | 100% | 1.364 | 83% | 0.832 | S | S | * | * | | | trans | -75.6 | 0 | 175.9 | -49.8 | 0 | 0 | 0 | 0 | 113 | | |