| 1 | M | 44.5 | Very low | 40.8 | Very low | 240 Ų | 240 | 166.2 Ų | 166.2 | 100% | 1.182 | 85% | 0.848 | S | S | * | * | | | | 0 | 96.6 | 0 | 171.6 | 178 | 176 | 0 | 0 | 106.3 | | |
| 2 | E | 34.4 | Very low | 41.3 | Very low | 187 Ų | 187 | 162.9 Ų | 162.9 | 87% | 0.874 | 85% | 0.846 | S | S | * | * | | | trans | -158.7 | 148 | -175 | -118.4 | 158.1 | -167.4 | 0 | 0 | 110.8 | | |
| 3 | R | 42.2 | Very low | 40.8 | Very low | 228 Ų | 228 | 157.8 Ų | 157.8 | 86% | 0.86 | 84% | 0.842 | S | S | * | * | | | trans | -162.2 | 118.4 | -179.4 | -88.1 | -173.4 | 172.5 | -175.5 | -1.7 | 110.1 | | |
| 4 | F | 38.6 | Very low | 40.1 | Very low | 197 Ų | 197 | 163.2 Ų | 163.2 | 86% | 0.864 | 85% | 0.845 | S | S | * | * | | | trans | -151.3 | 135.3 | 154.9 | -68.8 | -77.1 | 0 | 0 | 0 | 106.4 | | |
| 5 | L | 45.8 | Very low | 39.5 | Very low | 132 Ų | 132 | 159 Ų | 159 | 69% | 0.691 | 84% | 0.835 | S | S | * | * | | | cis | 103.1 | 92.2 | 23.8 | -73.5 | 170.4 | 0 | 0 | 0 | 114.5 | | |
| 6 | F | 36.8 | Very low | 40.7 | Very low | 190 Ų | 190 | 155.8 Ų | 155.8 | 83% | 0.833 | 83% | 0.827 | S | S | * | * | | | trans | 64.4 | 175.5 | 150.6 | -74.9 | -64 | 0 | 0 | 0 | 117.4 | | |
| 7 | P | 53.1 | Low | 40.1 | Very low | 122 Ų | 122 | 155.8 Ų | 155.8 | 79% | 0.792 | 83% | 0.826 | S | S | * | * | | | cis | -130.8 | -166 | 7.6 | 43.9 | -26.7 | 0 | 0 | 0 | 116 | | |
| 8 | A | 36 | Very low | 39.7 | Very low | 91 Ų | 91 | 153.2 Ų | 153.2 | 75% | 0.752 | 82% | 0.817 | S | S | * | * | | | trans | -133.9 | 152.9 | 171.2 | 0 | 0 | 0 | 0 | 0 | 111.4 | | |
| 9 | P | 51.5 | Low | 39.3 | Very low | 118 Ų | 118 | 153.3 Ų | 153.3 | 77% | 0.766 | 82% | 0.817 | S | S | * | * | | | trans | -128.8 | 177.3 | 168 | 41.1 | -28.8 | 0 | 0 | 0 | 112.4 | | |
| 10 | D | 32.1 | Very low | 38.9 | Very low | 157 Ų | 157 | 148.9 Ų | 148.9 | 84% | 0.84 | 81% | 0.81 | S | S | * | * | | | cis | -161.4 | 169.7 | -39.1 | -113.9 | -42.1 | 0 | 0 | 0 | 108.9 | | |
| 11 | L | 34.3 | Very low | 38.6 | Very low | 166 Ų | 166 | 147.6 Ų | 147.6 | 87% | 0.869 | 81% | 0.812 | S | S | * | * | | | trans | -126.4 | 143.2 | 174.8 | -77.8 | 175.5 | 0 | 0 | 0 | 113.3 | | |
| 12 | P | 46.7 | Very low | 38.2 | Very low | 127 Ų | 127 | 140.3 Ų | 140.3 | 83% | 0.825 | 79% | 0.785 | S | S | * | * | | | trans | -121.1 | 172.4 | 157.3 | 36.6 | -24.9 | 0 | 0 | 0 | 113.6 | | |
| 13 | A | 34.7 | Very low | 38.1 | Very low | 96 Ų | 96 | 140.8 Ų | 140.8 | 79% | 0.793 | 79% | 0.787 | S | S | * | * | | | trans | -147 | -178.4 | -166.6 | 0 | 0 | 0 | 0 | 0 | 115 | | |
| 14 | R | 30.7 | Very low | 37.6 | Very low | 234 Ų | 234 | 132.9 Ų | 132.9 | 88% | 0.883 | 78% | 0.777 | S | S | * | * | | | trans | 87.5 | 102.1 | 167.1 | -71.5 | -179.3 | 154.1 | -179.7 | -6.2 | 121 | | |
| 15 | S | 31.3 | Very low | 37.2 | Very low | 100 Ų | 100 | 131 Ų | 131 | 70% | 0.699 | 78% | 0.781 | S | S | * | * | | | | 30.8 | 161.6 | 102.4 | 70 | 0 | 0 | 0 | 0 | 122.1 | | |
| 16 | P | 58.5 | Low | 36.4 | Very low | 108 Ų | 108 | 127.8 Ų | 127.8 | 70% | 0.701 | 78% | 0.779 | S | S | * | * | | | cis | -140.8 | -146.7 | -33.7 | 38.6 | -16.6 | 0 | 0 | 0 | 112.3 | | |
| 17 | L | 30.7 | Very low | 36.3 | Very low | 156 Ų | 156 | 125 Ų | 125 | 82% | 0.817 | 78% | 0.777 | S | S | * | * | | | trans | 89.4 | 150.3 | 169.6 | -58.4 | 169.8 | 0 | 0 | 0 | 117.5 | | |
| 18 | V | 33.6 | Very low | 35.2 | Very low | 108 Ų | 108 | 127.1 Ų | 127.1 | 66% | 0.655 | 78% | 0.777 | S | S | * | * | | | cis | -168.4 | 166.6 | -28.3 | 74 | 0 | 0 | 0 | 0 | 110.7 | | |
| 19 | N | 30.9 | Very low | 35 | Very low | 155 Ų | 155 | 128.8 Ų | 128.8 | 83% | 0.829 | 77% | 0.769 | S | S | * | * | | | trans | 69.5 | 150.2 | 171.9 | -64.4 | -19.9 | 0 | 0 | 0 | 117.9 | | |
| 20 | G | 31.6 | Very low | 34.1 | Very low | 66 Ų | 66 | 133.6 Ų | 133.6 | 68% | 0.68 | 77% | 0.772 | S | S | * | * | | | cis | 157.9 | 160.4 | -10.8 | 0 | 0 | 0 | 0 | 0 | 114.5 | | |
| 21 | S | 33.4 | Very low | 34 | Very low | 121 Ų | 121 | 129.7 Ų | 129.7 | 85% | 0.846 | 77% | 0.769 | S | S | * | * | | | trans | 67.1 | 158.2 | 173.4 | -86.4 | 0 | 0 | 0 | 0 | 118.4 | | |
| 22 | S | 34.7 | Very low | 34.3 | Very low | 87 Ų | 87 | 128.4 Ų | 128.4 | 61% | 0.608 | 77% | 0.768 | S | S | * | * | | | cis | -173.6 | 142 | -24.2 | -98.9 | 0 | 0 | 0 | 0 | 111.2 | | |
| 23 | Q | 33.3 | Very low | 33.6 | Very low | 198 Ų | 198 | 134.3 Ų | 134.3 | 93% | 0.925 | 77% | 0.774 | S | S | * | * | | | trans | 62.1 | 159.9 | 157.8 | -59.6 | 169.7 | 7.8 | 0 | 0 | 117.1 | | |
| 24 | G | 31 | Very low | 33.9 | Very low | 62 Ų | 62 | 139.8 Ų | 139.8 | 64% | 0.639 | 78% | 0.78 | S | S | * | * | | | cis | -160.4 | 150.9 | -7.3 | 0 | 0 | 0 | 0 | 0 | 110.2 | | |
| 25 | V | 31 | Very low | 34.1 | Very low | 158 Ų | 158 | 134.7 Ų | 134.7 | 96% | 0.958 | 78% | 0.78 | S | S | * | * | | | | 81.1 | 123.6 | 93.1 | 175.3 | 0 | 0 | 0 | 0 | 115.3 | | |
| 26 | G | 29.4 | Very low | 34.1 | Very low | 63 Ų | 63 | 133.3 Ų | 133.3 | 65% | 0.649 | 78% | 0.781 | S | S | * | * | | | trans | 122.2 | 105.2 | 173.9 | 0 | 0 | 0 | 0 | 0 | 112.7 | | |
| 27 | V | 33.1 | Very low | 32.9 | Very low | 131 Ų | 131 | 136.8 Ų | 136.8 | 79% | 0.794 | 79% | 0.788 | S | S | * | * | | | | 69.2 | 105.1 | 63.3 | -177 | 0 | 0 | 0 | 0 | 111.1 | | |
| 28 | E | 31.8 | Very low | 32.9 | Very low | 168 Ų | 168 | 135.1 Ų | 135.1 | 79% | 0.785 | 78% | 0.784 | S | S | * | * | | | | 61.5 | 142.8 | 86.7 | -101.8 | -171.2 | 136 | 0 | 0 | 114.3 | | |
| 29 | E | 30.6 | Very low | 32.7 | Very low | 126 Ų | 126 | 132.8 Ų | 132.8 | 59% | 0.589 | 78% | 0.782 | S | S | * | * | | | cis | -153.7 | -144.2 | 11.3 | -155.1 | -147 | 166.1 | 0 | 0 | 112.7 | | |
| 30 | R | 33.3 | Very low | 32.8 | Very low | 219 Ų | 219 | 134.1 Ų | 134.1 | 83% | 0.826 | 79% | 0.788 | S | S | * | * | | | trans | -66.3 | 170.8 | -179.6 | -80 | 177.7 | -88.7 | -145.6 | -10.2 | 113.7 | | |
| 31 | G | 29.6 | Very low | 32.5 | Very low | 75 Ų | 75 | 134.7 Ų | 134.7 | 77% | 0.773 | 79% | 0.794 | S | S | * | * | | | cis | 174.6 | -159.9 | 5.8 | 0 | 0 | 0 | 0 | 0 | 113.9 | | |
| 32 | T | 40.2 | Very low | 32.2 | Very low | 139 Ų | 139 | 134 Ų | 134 | 85% | 0.853 | 80% | 0.795 | S | S | * | * | | | trans | -84.9 | 162 | -167.2 | 57.4 | 0 | 0 | 0 | 0 | 116.5 | | |
| 33 | R | 32.8 | Very low | 32 | Very low | 251 Ų | 251 | 136.2 Ų | 136.2 | 95% | 0.947 | 81% | 0.806 | S | S | * | * | | | trans | -168.4 | 161.4 | 133.3 | -108.1 | 165.6 | -166 | -153.3 | 2.5 | 115.8 | | |
| 34 | K | 40.1 | Very low | 32.3 | Very low | 210 Ų | 210 | 132.5 Ų | 132.5 | 91% | 0.913 | 80% | 0.798 | S | S | * | * | | | trans | -114 | 155.5 | 174 | -74.1 | -178 | 175.4 | 179.7 | 0 | 111.6 | | |
| 35 | S | 35.1 | Very low | 32.9 | Very low | 128 Ų | 128 | 135.1 Ų | 135.1 | 90% | 0.895 | 80% | 0.804 | S | S | * | * | | | trans | -172.2 | 155.1 | 149.8 | -166.5 | 0 | 0 | 0 | 0 | 106.8 | | |
| 36 | G | 31.8 | Very low | 33 | Very low | 70 Ų | 70 | 132.4 Ų | 132.4 | 72% | 0.722 | 79% | 0.792 | S | S | * | * | | | cis | 165.5 | 179.4 | 5.7 | 0 | 0 | 0 | 0 | 0 | 107 | | |
| 37 | H | 32.1 | Very low | 33 | Very low | 182 Ų | 182 | 138.9 Ų | 138.9 | 84% | 0.843 | 81% | 0.805 | S | S | * | * | | | cis | -173.5 | 177.4 | -9.6 | -176.1 | 40.2 | 0 | 0 | 0 | 108.6 | | |
| 38 | V | 31 | Very low | 32.8 | Very low | 121 Ų | 121 | 137.8 Ų | 137.8 | 73% | 0.733 | 80% | 0.803 | S | S | * | * | | | trans | 70.9 | 139.9 | 169.3 | -162.8 | 0 | 0 | 0 | 0 | 117.2 | | |
| 39 | G | 30.8 | Very low | 32.8 | Very low | 59 Ų | 59 | 138.3 Ų | 138.3 | 61% | 0.608 | 81% | 0.81 | S | S | * | * | | | cis | 151.3 | 154.2 | -12.2 | 0 | 0 | 0 | 0 | 0 | 115.3 | | |
| 40 | L | 31.2 | Very low | 32.7 | Very low | 182 Ų | 182 | 141.3 Ų | 141.3 | 95% | 0.953 | 82% | 0.824 | S | S | * | * | | | trans | 69.4 | 149.5 | 169.8 | -44 | 174.5 | 0 | 0 | 0 | 117.2 | | |
| 41 | G | 25.8 | Very low | 32.5 | Very low | 78 Ų | 78 | 134 Ų | 134 | 80% | 0.804 | 82% | 0.816 | S | S | * | * | | | cis | 139.3 | 101.6 | -17 | 0 | 0 | 0 | 0 | 0 | 116.4 | | |
| 42 | A | 27.5 | Very low | 32.6 | Very low | 107 Ų | 107 | 136.1 Ų | 136.1 | 88% | 0.884 | 82% | 0.819 | S | S | * | * | | | trans | -170.5 | 157.3 | 165.1 | 0 | 0 | 0 | 0 | 0 | 115.7 | | |
| 43 | T | 31.5 | Very low | 32 | Very low | 134 Ų | 134 | 140.1 Ų | 140.1 | 82% | 0.822 | 82% | 0.819 | S | S | * | * | | | trans | -84.5 | 176.1 | 170 | 42.8 | 0 | 0 | 0 | 0 | 112 | | |
| 44 | P | 38.9 | Very low | 31.9 | Very low | 119 Ų | 119 | 136.6 Ų | 136.6 | 77% | 0.773 | 82% | 0.818 | S | S | * | * | | | cis | -144.4 | -125.6 | 39.1 | 32 | -1.7 | 0 | 0 | 0 | 117.5 | | |
| 45 | P | 42.8 | Very low | 31.5 | Very low | 117 Ų | 117 | 134 Ų | 134 | 76% | 0.76 | 81% | 0.808 | S | S | * | * | | | | -123.9 | -172.1 | -97.6 | 39.9 | -22.8 | 0 | 0 | 0 | 117.4 | | |
| 46 | S | 33 | Very low | 31.2 | Very low | 102 Ų | 102 | 135 Ų | 135 | 71% | 0.713 | 80% | 0.803 | S | S | * | * | | | trans | -76.4 | 154.5 | -179 | 56.9 | 0 | 0 | 0 | 0 | 117.4 | | |
| 47 | H | 30.4 | Very low | 31.2 | Very low | 199 Ų | 199 | 138.3 Ų | 138.3 | 92% | 0.921 | 80% | 0.804 | S | S | * | * | | | trans | -157.1 | 165.5 | 151.9 | -101.1 | -71.7 | 0 | 0 | 0 | 112.7 | | |
| 48 | S | 28.9 | Very low | 31.2 | Very low | 107 Ų | 107 | 136.2 Ų | 136.2 | 75% | 0.748 | 80% | 0.798 | S | S | * | * | | | trans | -132.6 | 153.2 | -178.2 | 59.2 | 0 | 0 | 0 | 0 | 112.9 | | |
| 49 | I | 30.5 | Very low | 31.8 | Very low | 180 Ų | 180 | 136 Ų | 136 | 92% | 0.923 | 80% | 0.8 | S | S | * | * | | | trans | -141.8 | 161.4 | 168.8 | -69 | -168.9 | 0 | 0 | 0 | 110.1 | | |
| 50 | Q | 30.2 | Very low | 32 | Very low | 188 Ų | 188 | 140.7 Ų | 140.7 | 88% | 0.879 | 81% | 0.806 | S | S | * | * | | | trans | -139.9 | 142.9 | -159.6 | 174 | -171.7 | 5.9 | 0 | 0 | 112.7 | | |
| 51 | G | 27.8 | Very low | 32.1 | Very low | 65 Ų | 65 | 137.6 Ų | 137.6 | 67% | 0.67 | 79% | 0.794 | S | S | * | * | | | trans | 87.1 | 170.7 | 163.6 | 0 | 0 | 0 | 0 | 0 | 117.1 | | |
| 52 | S | 31.7 | Very low | 32.4 | Very low | 120 Ų | 120 | 140.6 Ų | 140.6 | 84% | 0.839 | 79% | 0.792 | S | S | * | * | | | cis | -165.7 | 135.9 | -7.8 | -92.3 | 0 | 0 | 0 | 0 | 113.4 | | |
| 53 | R | 28.4 | Very low | 32.5 | Very low | 224 Ų | 224 | 139.4 Ų | 139.4 | 85% | 0.845 | 78% | 0.777 | S | S | * | * | | | trans | 36.3 | 124 | 135.7 | -173.1 | -168.1 | -168.2 | -175.4 | 5.9 | 121.2 | | |
| 54 | L | 31.3 | Very low | 32.4 | Very low | 177 Ų | 177 | 142.4 Ų | 142.4 | 93% | 0.927 | 78% | 0.779 | S | S | * | * | | | trans | -141.9 | 174.6 | 136.6 | -84.5 | -169.2 | 0 | 0 | 0 | 111.5 | | |
| 55 | H | 31.3 | Very low | 33.4 | Very low | 154 Ų | 154 | 141.9 Ų | 141.9 | 71% | 0.713 | 78% | 0.776 | S | S | * | * | | | trans | -153.9 | -176.4 | -160.5 | -151.4 | -98.2 | 0 | 0 | 0 | 111.4 | | |
| 56 | L | 29.2 | Very low | 34.1 | Very low | 149 Ų | 149 | 141.2 Ų | 141.2 | 78% | 0.78 | 77% | 0.771 | S | S | * | * | | | trans | 92.2 | 146.1 | 171.2 | -54.3 | 171.4 | 0 | 0 | 0 | 116.8 | | |
| 57 | N | 30.1 | Very low | 34.1 | Very low | 141 Ų | 141 | 145 Ų | 145 | 75% | 0.754 | 78% | 0.777 | S | S | * | * | | | cis | -163 | 178.4 | -34.7 | -127.9 | 6.1 | 0 | 0 | 0 | 113.2 | | |
| 58 | L | 32.3 | Very low | 35.6 | Very low | 137 Ų | 137 | 141.1 Ų | 141.1 | 72% | 0.717 | 77% | 0.77 | S | S | * | * | | | trans | -73.4 | 171.8 | -176 | -132.4 | 69.3 | 0 | 0 | 0 | 115.7 | E60 | L58-E60 HydrophobicContact CD2-CB 4.13Š|
| 59 | P | 44.9 | Very low | 35.8 | Very low | 117 Ų | 117 | 141 Ų | 141 | 76% | 0.76 | 78% | 0.775 | S | S | * | * | | | | -130.9 | 163 | 68.1 | 27.1 | -6.5 | 0 | 0 | 0 | 114.4 | | |
| 60 | E | 33.8 | Very low | 36 | Very low | 158 Ų | 158 | 140.9 Ų | 140.9 | 74% | 0.738 | 77% | 0.768 | S | S | * | * | | | cis | 85.9 | 124.8 | 35.8 | -151.4 | 169 | -177.9 | 0 | 0 | 113.7 | L58 | L58-E60 HydrophobicContact CD2-CB 4.13Š|
| 61 | V | 33.2 | Very low | 36 | Very low | 116 Ų | 116 | 141.7 Ų | 141.7 | 70% | 0.703 | 77% | 0.769 | S | S | * | * | | | | 179.8 | 139.5 | 93.7 | 151.8 | 0 | 0 | 0 | 0 | 112.8 | | |
| 62 | D | 31.9 | Very low | 36.2 | Very low | 142 Ų | 142 | 143.9 Ų | 143.9 | 76% | 0.759 | 77% | 0.774 | S | S | * | * | | | trans | 43.1 | 161.2 | 152.2 | -75.4 | -42.2 | 0 | 0 | 0 | 125.3 | | |
| 63 | S | 30.6 | Very low | 36.7 | Very low | 82 Ų | 82 | 146 Ų | 146 | 57% | 0.573 | 78% | 0.775 | S | S | * | * | | | cis | -171.4 | 131.8 | -32.2 | -106.8 | 0 | 0 | 0 | 0 | 114.8 | | |
| 64 | F | 28.7 | Very low | 36.8 | Very low | 196 Ų | 196 | 141.5 Ų | 141.5 | 86% | 0.86 | 78% | 0.777 | S | S | * | * | | | trans | 64.1 | 164 | 143.9 | -77 | -61.2 | 0 | 0 | 0 | 123.7 | | |
| 65 | P | 59.8 | Low | 36.9 | Very low | 109 Ų | 109 | 137.6 Ų | 137.6 | 71% | 0.708 | 77% | 0.769 | S | S | * | * | | | trans | -127.3 | -138.4 | -146 | 33.5 | -5.2 | 0 | 0 | 0 | 111.8 | | |
| 66 | P | 57.7 | Low | 37 | Very low | 102 Ų | 102 | 139.7 Ų | 139.7 | 66% | 0.662 | 78% | 0.782 | S | S | * | * | | | cis | -143.9 | -160 | -6.3 | 42.6 | -19.3 | 0 | 0 | 0 | 117.5 | | |
| 67 | H | 33.9 | Very low | 37.1 | Very low | 181 Ų | 181 | 135.5 Ų | 135.5 | 84% | 0.838 | 78% | 0.775 | S | S | * | * | | | trans | 97.5 | 155.1 | 156.5 | -76.5 | -39.7 | 0 | 0 | 0 | 122.1 | | |
| 68 | P | 62.2 | Low | 37.8 | Very low | 118 Ų | 118 | 136.3 Ų | 136.3 | 77% | 0.766 | 78% | 0.779 | S | S | * | * | | | trans | -122.2 | 173.7 | -158.5 | 43.7 | -30.9 | 0 | 0 | 0 | 116.5 | | |
| 69 | A | 32.8 | Very low | 38 | Very low | 104 Ų | 104 | 135.8 Ų | 135.8 | 86% | 0.86 | 78% | 0.781 | S | S | * | * | | | trans | -137.3 | 170.4 | 171.1 | 0 | 0 | 0 | 0 | 0 | 113 | | |
| 70 | K | 33.8 | Very low | 37.9 | Very low | 179 Ų | 179 | 138.9 Ų | 138.9 | 78% | 0.778 | 78% | 0.783 | S | S | * | * | | | trans | -120.6 | -170.7 | -174.3 | -64.8 | -179.3 | 178.5 | 177.3 | 0 | 111.8 | | |
| 71 | F | 30.5 | Very low | 38 | Very low | 205 Ų | 205 | 140.6 Ų | 140.6 | 90% | 0.899 | 79% | 0.791 | S | S | * | * | | | trans | 80.3 | 144.9 | 173.3 | -44.8 | -72.8 | 0 | 0 | 0 | 114.4 | | |
| 72 | S | 33.3 | Very low | 38.2 | Very low | 111 Ų | 111 | 139.9 Ų | 139.9 | 78% | 0.776 | 79% | 0.791 | S | S | * | * | | | cis | -143.3 | 157.3 | -0.9 | -169 | 0 | 0 | 0 | 0 | 111.4 | | |
| 73 | L | 40.6 | Very low | 38.4 | Very low | 164 Ų | 164 | 142.4 Ų | 142.4 | 86% | 0.859 | 80% | 0.795 | S | S | * | * | | | trans | -68.8 | 144.5 | 154.7 | -99.2 | 84.7 | 0 | 0 | 0 | 109.6 | | |
| 74 | C | 30.1 | Very low | 38.8 | Very low | 130 Ų | 130 | 146.1 Ų | 146.1 | 88% | 0.878 | 81% | 0.805 | S | S | * | * | | | trans | -164.9 | 145.1 | 141.8 | -126.4 | 0 | 0 | 0 | 0 | 112.1 | | |
| 75 | A | 35.1 | Very low | 39.3 | Very low | 94 Ų | 94 | 144.9 Ų | 144.9 | 78% | 0.777 | 80% | 0.802 | S | S | * | * | | | trans | 31.9 | 113.6 | 162.3 | 0 | 0 | 0 | 0 | 0 | 120.2 | G77 | A75-G77 PolarHBondContact O-N 2.63Š|
| 76 | M | 32.5 | Very low | 38.2 | Very low | 198 Ų | 198 | 147 Ų | 147 | 98% | 0.975 | 81% | 0.806 | S | S | * | * | | | trans | -69.9 | 121.2 | 154.3 | -62.1 | -170.2 | -56.8 | 0 | 0 | 109.4 | | |
| 77 | G | 31.5 | Very low | 37.5 | Very low | 61 Ų | 61 | 145.6 Ų | 145.6 | 63% | 0.629 | 80% | 0.796 | S | S | * | * | | | trans | -98.8 | 132.4 | 161.3 | 0 | 0 | 0 | 0 | 0 | 109.5 | A75 V79 | A75-G77 PolarHBondContact O-N 2.63Å; G77-V79 PolarHBondContact O-N 2.9Å; G77-V79 VanDerWaalsContact O-N 3.08Å |
| 78 | D | 44.3 | Very low | 37.8 | Very low | 159 Ų | 159 | 142.2 Ų | 142.2 | 85% | 0.85 | 79% | 0.79 | S | S | * | * | | | trans | -68.1 | 103.5 | 178.9 | 178.6 | 12.4 | 0 | 0 | 0 | 110.7 | | |
| 79 | V | 37.4 | Very low | 36.9 | Very low | 125 Ų | 125 | 144 Ų | 144 | 76% | 0.758 | 79% | 0.788 | S | S | * | * | | | trans | -118.4 | 90.5 | 174.7 | -178.3 | 0 | 0 | 0 | 0 | 108.8 | G77 E81 | G77-V79 PolarHBondContact O-N 2.9Å; G77-V79 VanDerWaalsContact O-N 3.08Å; V79-E81 PolarHBondContact O-N 3.34Å |
| 80 | K | 43 | Very low | 37.1 | Very low | 183 Ų | 183 | 143.6 Ų | 143.6 | 80% | 0.796 | 78% | 0.775 | S | S | * | * | | | trans | 11.3 | 93.9 | 149.5 | -64.6 | -68.3 | -175.2 | -178.6 | 0 | 114 | S82 | K80-S82 PolarHBondContact O-N 3.32Š|
| 81 | E | 34.6 | Very low | 37.4 | Very low | 194 Ų | 194 | 141.1 Ų | 141.1 | 91% | 0.907 | 78% | 0.777 | S | S | * | * | | | trans | -57.5 | 111.8 | 171 | -69.8 | -171.1 | 147.6 | 0 | 0 | 109.8 | V79 K83 | V79-E81 PolarHBondContact O-N 3.34Å; E81-K83 PolarHBondContact O-N 3.44Å |
| 82 | S | 39 | Very low | 38.1 | Very low | 100 Ų | 100 | 135.2 Ų | 135.2 | 70% | 0.699 | 77% | 0.774 | S | S | * | * | | | trans | -69.8 | 87.6 | 169.2 | 55.9 | 0 | 0 | 0 | 0 | 107.9 | K80 M84 | K80-S82 PolarHBondContact O-N 3.32Å; S82-M84 PolarHBondContact O-N 3.29Å |
| 83 | K | 36 | Very low | 38.7 | Very low | 195 Ų | 195 | 140.4 Ų | 140.4 | 85% | 0.848 | 78% | 0.777 | S | S | * | * | | | trans | -51.7 | 99.9 | 178.4 | -178.6 | -176.2 | 177.3 | -175.5 | 0 | 109.7 | E81 Q85 | E81-K83 PolarHBondContact O-N 3.44Å; K83-Q85 PolarHBondContact O-N 3.01Å |
| 84 | M | 38.4 | Very low | 39.3 | Very low | 161 Ų | 161 | 139.7 Ų | 139.7 | 79% | 0.793 | 77% | 0.772 | S | S | * | * | | | trans | -63.1 | 108.2 | 176 | -74.1 | -176.7 | 167.8 | 0 | 0 | 108.5 | S82 I86 | S82-M84 PolarHBondContact O-N 3.29Å; M84-I86 VanDerWaalsContact C-N 3.28Å; M84-I86 PolarHBondContact O-N 3Å |
| 85 | Q | 38.3 | Very low | 40.6 | Very low | 170 Ų | 170 | 138.2 Ų | 138.2 | 79% | 0.794 | 76% | 0.761 | S | S | * | * | | | trans | -75.2 | 86.3 | 174.7 | -177.4 | 166.6 | -22.9 | 0 | 0 | 108.3 | K83 T87 | K83-Q85 PolarHBondContact O-N 3.01Å; Q85-T87 PolarHBondContact O-N 3.01Å |
| 86 | I | 38.2 | Very low | 41.7 | Very low | 152 Ų | 152 | 140.5 Ų | 140.5 | 78% | 0.779 | 77% | 0.765 | S | S | * | * | | | trans | -72.6 | 85.7 | 171.3 | -55.6 | 175.8 | 0 | 0 | 0 | 107.3 | M84 P88 | M84-I86 VanDerWaalsContact C-N 3.28Å; M84-I86 PolarHBondContact O-N 3Å; I86-P88 WeakPolarHBondContact O-CD 3.36Å |
| 87 | T | 42 | Very low | 43.2 | Very low | 73 Ų | 73 | 135.2 Ų | 135.2 | 45% | 0.448 | 74% | 0.74 | S | S | . | * | | | trans | -68.1 | 126 | 165.9 | -44.9 | 0 | 0 | 0 | 0 | 107.9 | Q85 E89 | Q85-T87 PolarHBondContact O-N 3.01Å; T87-E89 HydrophobicContact CG2-CG 3.82Å; T87-E89 PolarHBondContact O-N 2.93Å |
| 88 | P | 39.8 | Very low | 44.8 | Very low | 110 Ų | 110 | 135.1 Ų | 135.1 | 71% | 0.714 | 73% | 0.725 | S | S | * | * | | | trans | -77.8 | 55.2 | 171.5 | 34.4 | -35.4 | 0 | 0 | 0 | 110.6 | I86 T90 | I86-P88 WeakPolarHBondContact O-CD 3.36Å; P88-T90 PolarHBondContact O-N 3.18Å; P88-T90 PolarHBondContact O-OG1 2.99Å |
| 89 | E | 42.8 | Very low | 46 | Very low | 156 Ų | 156 | 132.6 Ų | 132.6 | 73% | 0.729 | 72% | 0.718 | S | S | * | * | | | trans | -57 | 102.6 | 167.6 | -79.6 | -56.9 | 137.8 | 0 | 0 | 108 | T87 P91 | T87-E89 HydrophobicContact CG2-CG 3.82Å; T87-E89 PolarHBondContact O-N 2.93Å; E89-P91 WeakPolarHBondContact O-CD 3.45Å |
| 90 | T | 38.5 | Very low | 47.2 | Very low | 96 Ų | 96 | 135.7 Ų | 135.7 | 59% | 0.589 | 72% | 0.721 | S | S | * | * | | | trans | -101.9 | 102.2 | 179.4 | -57.5 | 0 | 0 | 0 | 0 | 107 | P88 G92 | P88-T90 PolarHBondContact O-N 3.18Å; P88-T90 PolarHBondContact O-OG1 2.99Å; T90-G92 PolarHBondContact O-N 2.97Å |
| 91 | P | 39.8 | Very low | 48.2 | Very low | 127 Ų | 127 | 131 Ų | 131 | 83% | 0.825 | 70% | 0.702 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -61 | 131.3 | -171.7 | -24 | 35.3 | 0 | 0 | 0 | 111.6 | E89 | E89-P91 WeakPolarHBondContact O-CD 3.45Š|
| 92 | G | 45.8 | Very low | 49.5 | Very low | 81 Ų | 81 | 122.9 Ų | 122.9 | 84% | 0.835 | 67% | 0.667 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 98.8 | 14.8 | 168.6 | 0 | 0 | 0 | 0 | 0 | 117.5 | T90 | T90-G92 PolarHBondContact O-N 2.97Š|
| 93 | R | 45.6 | Very low | 50.6 | Low | 220 Ų | 220 | 123.3 Ų | 123.3 | 83% | 0.83 | 67% | 0.667 | S | S | * | * | | | trans | -100.2 | 112.6 | 162.7 | -75.9 | -169.5 | 177.8 | -113.6 | -1.6 | 111.4 | | |
| 94 | I | 53.2 | Low | 51.8 | Low | 148 Ų | 148 | 117.2 Ų | 117.2 | 76% | 0.759 | 65% | 0.649 | S | S | * | * | | | trans | -58.4 | 134.5 | 160.5 | -49.5 | 171.4 | 0 | 0 | 0 | 107.1 | V96 | I94-V96 PolarHBondContact O-N 3.03Å; I94-V96 VanDerWaalsContact O-N 3.16Å |
| 95 | P | 56.8 | Low | 53 | Low | 99 Ų | 99 | 113 Ų | 113 | 64% | 0.643 | 63% | 0.63 | S | S | * | * | | | trans | -57.4 | 121.2 | 170.8 | -23.5 | 34 | 0 | 0 | 0 | 109.7 | L97 | P95-L97 HydrophobicContact CB-CD1 4.49Å; P95-L97 PolarHBondContact O-N 3.03Å |
| 96 | V | 58.7 | Low | 54 | Low | 142 Ų | 142 | 107.9 Ų | 107.9 | 86% | 0.861 | 60% | 0.604 | S | S | * | * | | | trans | -77.8 | 76.7 | 170.7 | -176.1 | 0 | 0 | 0 | 0 | 107.1 | I94 | I94-V96 PolarHBondContact O-N 3.03Å; I94-V96 VanDerWaalsContact O-N 3.16Å |
| 97 | L | 63.6 | Low | 55 | Low | 88 Ų | 88 | 104.4 Ų | 104.4 | 46% | 0.461 | 59% | 0.593 | S | S | . | * | | | trans | -56.5 | 132.6 | 170.1 | -81.8 | 139.9 | 0 | 0 | 0 | 109 | P95 P99 Y106 | P95-L97 HydrophobicContact CB-CD1 4.49Å; P95-L97 PolarHBondContact O-N 3.03Å; L97-P99 WeakPolarHBondContact O-CD 3.5Å; L97-Y106 HydrophobicContact CD2-CD2 3.87Å; L97-Y106 HydrophobicContact CD2-CE1 4.39Å; L97-Y106 HydrophobicContact CD2-CE2 3.5Å; L97-Y106 VanDerWaalsContact CD2-CE2 3.5Å; L97-Y106 HydrophobicContact CD2-CG 4.49Å |
| 98 | N | 64.9 | Low | 55.7 | Low | 58 Ų | 58 | 106.6 Ų | 106.6 | 31% | 0.31 | 60% | 0.602 | S | S | . | * | | | trans | -63.6 | 123.1 | 168.5 | 177.4 | 0.7 | 0 | 0 | 0 | 108 | F100 E101 Y106 | N98-F100 PolarHBondContact O-N 3.22Å; N98-F100 WeakPolarHBondContact OD1-CD2 3.26Å; N98-F100 PolarHBondContact OD1-N 3.36Å; N98-F100 VanDerWaalsContact OD1-N 3.11Å; N98-E101 HydrophobicContact CB-CB 4.1Å; N98-E101 VanDerWaalsContact CB-CD 3.47Å; N98-E101 HydrophobicContact CB-CG 3.96Å; N98-E101 VanDerWaalsContact ND2-CD 3.29Å; N98-E101 PolarHBondContact ND2-OE1 3.2Å; N98-E101 PolarHBondContact O-N 3.02Å; N98-Y106 PolarHBondContact N-OH 2.99Å |
| 99 | P | 68.7 | Low | 56.5 | Low | 107 Ų | 107 | 107.1 Ų | 107.1 | 70% | 0.695 | 60% | 0.598 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -64.5 | -7.7 | -178.7 | 27.1 | -36.2 | 0 | 0 | 0 | 114.1 | L97 | L97-P99 WeakPolarHBondContact O-CD 3.5Š|
| 100 | F | 63.1 | Low | 57.1 | Low | 190 Ų | 190 | 107.3 Ų | 107.3 | 83% | 0.833 | 60% | 0.598 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -101 | -1.4 | 174.6 | -56.5 | -71 | 0 | 0 | 0 | 114.3 | N98 | N98-F100 PolarHBondContact O-N 3.22Å; N98-F100 WeakPolarHBondContact OD1-CD2 3.26Å; N98-F100 PolarHBondContact OD1-N 3.36Å; N98-F100 VanDerWaalsContact OD1-N 3.11Å |
| 101 | E | 65.5 | Low | 57.9 | Low | 84 Ų | 84 | 109.9 Ų | 109.9 | 39% | 0.393 | 60% | 0.604 | S | S | . | * | S | Bend | trans | -106 | 143.3 | 177.4 | -73.5 | 161 | -155.9 | 0 | 0 | 110.8 | N98 Y106 | N98-E101 HydrophobicContact CB-CB 4.1Å; N98-E101 VanDerWaalsContact CB-CD 3.47Å; N98-E101 HydrophobicContact CB-CG 3.96Å; N98-E101 VanDerWaalsContact ND2-CD 3.29Å; N98-E101 PolarHBondContact ND2-OE1 3.2Å; N98-E101 PolarHBondContact O-N 3.02Å; E101-Y106 HydrophobicContact CB-CE2 3.83Å; E101-Y106 WeakPolarHBondContact OE2-CE2 3.13Å; E101-Y106 PolarHBondContact OE2-OH 2.96Å |
| 102 | S | 60.4 | Low | 58.5 | Low | 24 Ų | 24 | 112 Ų | 112 | 17% | 0.168 | 60% | 0.603 | C | S | . | * | | | trans | -84 | 150.2 | -179.4 | 76.3 | 0 | 0 | 0 | 0 | 111.4 | S104 D105 | S102-S104 PolarHBondContact O-N 3.2Å; S102-S104 PolarHBondContact OG-OG 3.27Å; S102-D105 WeakPolarHBondContact CA-OD2 3.24Å; S102-D105 VanDerWaalsContact CB-OD2 3.32Å; S102-D105 WeakPolarHBondContact CB-OD2 3.31Å; S102-D105 PolarHBondContact N-OD2 3.41Å; S102-D105 PolarHBondContact O-N 3.31Å; S102-D105 PolarHBondContact OG-OD1 3.18Å; S102-D105 PolarHBondContact OG-OD2 2.87Å |
| 103 | P | 62.8 | Low | 58.7 | Low | 109 Ų | 109 | 113.8 Ų | 113.8 | 71% | 0.708 | 60% | 0.598 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -56.7 | -25 | 175.9 | -27.1 | 35.9 | 0 | 0 | 0 | 113.9 | | |
| 104 | S | 61.1 | Low | 58.9 | Low | 67 Ų | 67 | 110.6 Ų | 110.6 | 47% | 0.469 | 60% | 0.596 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -64.5 | -38.8 | 174.1 | 15.3 | 0 | 0 | 0 | 0 | 113.4 | S102 Y106 S107 | S102-S104 PolarHBondContact O-N 3.2Å; S102-S104 PolarHBondContact OG-OG 3.27Å; S104-Y106 VanDerWaalsContact C-N 3.27Å; S104-Y106 PolarHBondContact O-N 3.11Å; S104-S107 WeakPolarHBondContact O-CB 3.27Å; S104-S107 PolarHBondContact O-N 2.76Å; S104-S107 PolarHBondContact O-OG 3.39Å |
| 105 | D | 62.6 | Low | 58.4 | Low | 71 Ų | 71 | 107.9 Ų | 107.9 | 38% | 0.38 | 60% | 0.596 | S | S | . | * | H | α-helix | trans | -62.9 | -36.3 | -171 | -59.6 | -43.2 | 0 | 0 | 0 | 112 | S102 S107 N108 | S102-D105 WeakPolarHBondContact CA-OD2 3.24Å; S102-D105 VanDerWaalsContact CB-OD2 3.32Å; S102-D105 WeakPolarHBondContact CB-OD2 3.31Å; S102-D105 PolarHBondContact N-OD2 3.41Å; S102-D105 PolarHBondContact O-N 3.31Å; S102-D105 PolarHBondContact OG-OD1 3.18Å; S102-D105 PolarHBondContact OG-OD2 2.87Å; D105-S107 PolarHBondContact O-N 3.28Å; D105-N108 PolarHBondContact O-N 2.85Å |
| 106 | Y | 59.6 | Low | 57.7 | Low | 64 Ų | 64 | 108.2 Ų | 108.2 | 25% | 0.251 | 60% | 0.601 | S | S | . | * | H | α-helix | trans | -65.6 | -18.3 | 176.3 | -68.7 | -96.6 | 0 | 0 | 0 | 113.7 | L97 N98 E101 S104 L109 H110 | L97-Y106 HydrophobicContact CD2-CD2 3.87Å; L97-Y106 HydrophobicContact CD2-CE1 4.39Å; L97-Y106 HydrophobicContact CD2-CE2 3.5Å; L97-Y106 VanDerWaalsContact CD2-CE2 3.5Å; L97-Y106 HydrophobicContact CD2-CG 4.49Å; N98-Y106 PolarHBondContact N-OH 2.99Å; E101-Y106 HydrophobicContact CB-CE2 3.83Å; E101-Y106 WeakPolarHBondContact OE2-CE2 3.13Å; E101-Y106 PolarHBondContact OE2-OH 2.96Å; S104-Y106 VanDerWaalsContact C-N 3.27Å; S104-Y106 PolarHBondContact O-N 3.11Å; Y106-L109 PolarHBondContact O-N 2.9Å; Y106-H110 PolarHBondContact O-ND1 3.18Å |
| 107 | S | 59.5 | Low | 57.1 | Low | 79 Ų | 79 | 107 Ų | 107 | 55% | 0.552 | 60% | 0.596 | S | S | * | * | H | α-helix | trans | -66.2 | -41.3 | 176.7 | -48.8 | 0 | 0 | 0 | 0 | 111 | S104 D105 H110 | S104-S107 WeakPolarHBondContact O-CB 3.27Å; S104-S107 PolarHBondContact O-N 2.76Å; S104-S107 PolarHBondContact O-OG 3.39Å; D105-S107 PolarHBondContact O-N 3.28Å; S107-H110 PolarHBondContact O-N 3.07Å |
| 108 | N | 57.3 | Low | 56.3 | Low | 118 Ų | 118 | 107.3 Ų | 107.3 | 63% | 0.631 | 61% | 0.605 | S | S | * | * | H | α-helix | trans | -76 | -26.9 | -179.6 | -58.6 | -59.3 | 0 | 0 | 0 | 112.2 | D105 H110 E111 | D105-N108 PolarHBondContact O-N 2.85Å; N108-H110 PolarHBondContact O-N 2.83Å; N108-E111 WeakPolarHBondContact O-CB 3.49Å; N108-E111 PolarHBondContact O-N 3.4Å |
| 109 | L | 56.3 | Low | 55.6 | Low | 122 Ų | 122 | 110.8 Ų | 110.8 | 64% | 0.639 | 63% | 0.628 | S | S | * | * | H | α-helix | trans | -68.6 | -16.4 | 174.2 | -91.5 | 148.4 | 0 | 0 | 0 | 114.1 | Y106 | Y106-L109 PolarHBondContact O-N 2.9Å |
| 110 | H | 54.8 | Low | 54.6 | Low | 159 Ų | 159 | 115.1 Ų | 115.1 | 74% | 0.736 | 64% | 0.636 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -86.4 | -6.8 | 172.7 | -72.9 | 89.7 | 0 | 0 | 0 | 113.5 | Y106 S107 N108 Q112 | Y106-H110 PolarHBondContact O-ND1 3.18Å; S107-H110 PolarHBondContact O-N 3.07Å; N108-H110 PolarHBondContact O-N 2.83Å; H110-Q112 PolarHBondContact O-N 2.97Å |
| 111 | E | 56 | Low | 54 | Low | 151 Ų | 151 | 114.6 Ų | 114.6 | 71% | 0.706 | 63% | 0.634 | S | S | * | * | S | Bend | trans | -64.8 | 110.9 | 164 | -67.7 | -145.2 | 149.7 | 0 | 0 | 108.9 | N108 T113 | N108-E111 WeakPolarHBondContact O-CB 3.49Å; N108-E111 PolarHBondContact O-N 3.4Å; E111-T113 PolarHBondContact O-N 3.33Å |
| 112 | Q | 51.7 | Low | 53.3 | Low | 171 Ų | 171 | 116.5 Ų | 116.5 | 80% | 0.799 | 66% | 0.657 | S | S | * | * | | | trans | -56 | 98.2 | -171.9 | 179.3 | 170.9 | 94 | 0 | 0 | 110.9 | H110 L114 | H110-Q112 PolarHBondContact O-N 2.97Å; Q112-L114 PolarHBondContact O-N 2.81Å |
| 113 | T | 50.9 | Low | 52.7 | Low | 119 Ų | 119 | 120.5 Ų | 120.5 | 73% | 0.73 | 68% | 0.68 | S | S | * | * | | | trans | -60.7 | 99.3 | -172.6 | -43.4 | 0 | 0 | 0 | 0 | 109.9 | E111 A115 | E111-T113 PolarHBondContact O-N 3.33Å; T113-A115 PolarHBondContact O-N 3.11Å |
| 114 | L | 49.3 | Very low | 52.2 | Low | 152 Ų | 152 | 125 Ų | 125 | 80% | 0.796 | 69% | 0.689 | S | S | * | * | | | trans | -58.8 | 117.8 | 179.6 | -68.4 | 178.1 | 0 | 0 | 0 | 108.1 | Q112 S116 | Q112-L114 PolarHBondContact O-N 2.81Å; L114-S116 PolarHBondContact O-N 3.32Å |
| 115 | A | 43.5 | Very low | 52 | Low | 92 Ų | 92 | 128.6 Ų | 128.6 | 76% | 0.76 | 70% | 0.702 | S | S | * | * | | | trans | -51.7 | 129.4 | -160.8 | 0 | 0 | 0 | 0 | 0 | 112.5 | T113 | T113-A115 PolarHBondContact O-N 3.11Š|
| 116 | S | 41.4 | Very low | 51.8 | Low | 106 Ų | 106 | 130.7 Ų | 130.7 | 74% | 0.741 | 72% | 0.719 | S | S | * | * | | | trans | -43.5 | 123.5 | -179.9 | -52.9 | 0 | 0 | 0 | 0 | 110.7 | L114 S118 | L114-S116 PolarHBondContact O-N 3.32Å; S116-S118 PolarHBondContact O-N 3.29Å; S116-S118 VanDerWaalsContact O-N 3.11Å |
| 117 | P | 45.6 | Very low | 51.5 | Low | 116 Ų | 116 | 134 Ų | 134 | 75% | 0.753 | 75% | 0.746 | S | S | * | * | | | trans | -59.3 | 121.6 | -170 | 22.1 | -33.1 | 0 | 0 | 0 | 110.1 | V119 | P117-V119 VanDerWaalsContact O-CG2 3.24Å; P117-V119 WeakPolarHBondContact O-CG2 3.2Å; P117-V119 PolarHBondContact O-N 3.4Å |
| 118 | S | 47.9 | Very low | 51.3 | Low | 94 Ų | 94 | 136 Ų | 136 | 66% | 0.657 | 76% | 0.757 | S | S | * | * | | | trans | -57.2 | 105.5 | -170.1 | -178.1 | 0 | 0 | 0 | 0 | 112 | S116 F120 | S116-S118 PolarHBondContact O-N 3.29Å; S116-S118 VanDerWaalsContact O-N 3.11Å; S118-F120 PolarHBondContact O-N 3.37Å |
| 119 | V | 48.8 | Very low | 51.8 | Low | 131 Ų | 131 | 133.7 Ų | 133.7 | 79% | 0.794 | 76% | 0.762 | S | S | * | * | | | trans | -75.3 | 8.7 | -175.1 | -159.9 | 0 | 0 | 0 | 0 | 112.1 | P117 K121 | P117-V119 VanDerWaalsContact O-CG2 3.24Å; P117-V119 WeakPolarHBondContact O-CG2 3.2Å; P117-V119 PolarHBondContact O-N 3.4Å; V119-K121 PolarHBondContact O-N 3.35Å |
| 120 | F | 47.8 | Very low | 52.3 | Low | 198 Ų | 198 | 136.6 Ų | 136.6 | 87% | 0.868 | 77% | 0.769 | S | S | * | * | | | trans | -76.5 | 43.9 | 176.5 | -64.2 | -68.4 | 0 | 0 | 0 | 113.6 | S118 | S118-F120 PolarHBondContact O-N 3.37Š|
| 121 | K | 52 | Low | 52.9 | Low | 179 Ų | 179 | 136 Ų | 136 | 78% | 0.778 | 76% | 0.764 | S | S | * | * | | | trans | -110.1 | 95.9 | 157.5 | -69.1 | -71.2 | -174.6 | 175.5 | 0 | 107 | V119 T123 | V119-K121 PolarHBondContact O-N 3.35Å; K121-T123 PolarHBondContact O-N 2.92Å |
| 122 | S | 49.8 | Very low | 53.8 | Low | 125 Ų | 125 | 137.8 Ų | 137.8 | 87% | 0.874 | 77% | 0.765 | S | S | * | * | | | trans | -73.6 | 71.2 | -177.5 | -165.5 | 0 | 0 | 0 | 0 | 112.2 | | |
| 123 | T | 47.7 | Very low | 55 | Low | 107 Ų | 107 | 137 Ų | 137 | 66% | 0.656 | 76% | 0.755 | S | S | * | * | | | trans | -72.6 | 125.4 | 163.6 | -61 | 0 | 0 | 0 | 0 | 107.9 | K121 L125 | K121-T123 PolarHBondContact O-N 2.92Å; T123-L125 PolarHBondContact O-N 3.38Å |
| 124 | K | 52.2 | Low | 56.5 | Low | 205 Ų | 205 | 133.2 Ų | 133.2 | 89% | 0.891 | 73% | 0.733 | S | S | * | * | | | trans | -71.7 | 76.6 | 174.4 | -68.8 | -177 | 179.1 | 179.6 | 0 | 110.7 | | |
| 125 | L | 56.6 | Low | 58.2 | Low | 141 Ų | 141 | 133 Ų | 133 | 74% | 0.738 | 73% | 0.731 | S | S | * | * | P | Polyproline II helix | trans | -60.4 | 146.8 | 162.7 | -70.4 | 170.7 | 0 | 0 | 0 | 109.1 | T123 T127 | T123-L125 PolarHBondContact O-N 3.38Å; L125-T127 PolarHBondContact O-N 3.16Å |
| 126 | P | 58.4 | Low | 60.3 | Low | 115 Ų | 115 | 134.3 Ų | 134.3 | 75% | 0.747 | 73% | 0.725 | S | S | * | * | P | Polyproline II helix | trans | -52.7 | 136.1 | 168.3 | -23.4 | 33.9 | 0 | 0 | 0 | 109.7 | | |
| 127 | T | 54.7 | Low | 62.3 | Low | 134 Ų | 134 | 133.8 Ų | 133.8 | 82% | 0.822 | 71% | 0.711 | S | S | * | * | P | Polyproline II helix | trans | -51 | 124.6 | -179.5 | -44.5 | 0 | 0 | 0 | 0 | 109.4 | L125 G129 | L125-T127 PolarHBondContact O-N 3.16Å; T127-G129 PolarHBondContact O-N 2.78Å |
| 128 | P | 55 | Low | 64.1 | Low | 121 Ų | 121 | 132.3 Ų | 132.3 | 79% | 0.786 | 70% | 0.696 | S | S | * | * | | | trans | -53.3 | 113.6 | -179.6 | -28.7 | 35.9 | 0 | 0 | 0 | 110 | K130 | P128-K130 PolarHBondContact O-N 3.47Š|
| 129 | G | 67.1 | Low | 65.6 | Low | 70 Ų | 70 | 131.8 Ų | 131.8 | 72% | 0.722 | 70% | 0.698 | S | S | * | * | | | trans | -56.2 | 127.5 | -176.8 | 0 | 0 | 0 | 0 | 0 | 109.2 | T127 F131 | T127-G129 PolarHBondContact O-N 2.78Å; G129-F131 PolarHBondContact O-N 2.92Å |
| 130 | K | 66.3 | Low | 67.4 | Low | 183 Ų | 183 | 131.1 Ų | 131.1 | 80% | 0.796 | 69% | 0.694 | S | S | * | * | | | trans | -28.8 | 105.5 | -169.9 | 179.2 | 179.7 | 179.5 | 174 | 0 | 111.5 | P128 R132 | P128-K130 PolarHBondContact O-N 3.47Å; K130-R132 HydrophobicContact CG-CG 4.41Å; K130-R132 WeakPolarHBondContact O-CG 3.43Å; K130-R132 PolarHBondContact O-N 2.87Å; K130-R132 VanDerWaalsContact O-N 3.07Å |
| 131 | F | 68.5 | Low | 69.2 | Low | 145 Ų | 145 | 126.2 Ų | 126.2 | 64% | 0.636 | 68% | 0.676 | S | S | * | * | | | trans | -55.2 | 119.1 | -176 | -178.4 | -98.8 | 0 | 0 | 0 | 109.6 | G129 W133 | G129-F131 PolarHBondContact O-N 2.92Å; F131-W133 AromaticContact CE1-CD2 3.92Å; F131-W133 HydrophobicContact CE1-CD2 3.92Å; F131-W133 AromaticContact CE1-CE2 3.63Å; F131-W133 HydrophobicContact CE1-CE3 4.48Å; F131-W133 HydrophobicContact CE1-CG 4.28Å; F131-W133 AromaticContact CE1-CZ2 4Å; F131-W133 HydrophobicContact CE1-CZ2 4Å; F131-W133 AromaticContact CE1-NE1 3.76Å; F131-W133 AromaticContact CZ-CD2 3.7Å; F131-W133 HydrophobicContact CZ-CD2 3.7Å; F131-W133 AromaticContact CZ-CE2 3.61Å; F131-W133 AromaticContact CZ-CE3 3.8Å; F131-W133 HydrophobicContact CZ-CE3 3.8Å; F131-W133 HydrophobicContact CZ-CG 4.44Å; F131-W133 AromaticContact CZ-CH2 3.81Å; F131-W133 HydrophobicContact CZ-CH2 3.81Å; F131-W133 AromaticContact CZ-CZ2 3.69Å; F131-W133 HydrophobicContact CZ-CZ2 3.69Å; F131-W133 AromaticContact CZ-CZ3 3.85Å; F131-W133 HydrophobicContact CZ-CZ3 3.85Å |
| 132 | R | 74.3 | Confident | 70.7 | Confident | 190 Ų | 190 | 124.2 Ų | 124.2 | 72% | 0.717 | 67% | 0.673 | S | S | * | * | | | trans | -142.2 | 113 | -179.7 | -75.3 | -179.7 | 69.1 | -167.3 | 0.3 | 105.8 | K130 S134 Q137 | K130-R132 HydrophobicContact CG-CG 4.41Å; K130-R132 WeakPolarHBondContact O-CG 3.43Å; K130-R132 PolarHBondContact O-N 2.87Å; K130-R132 VanDerWaalsContact O-N 3.07Å; R132-S134 PolarHBondContact O-N 2.95Å; R132-Q137 PolarHBondContact O-OE1 3.07Å |
| 133 | W | 76.4 | Confident | 72.4 | Confident | 155 Ų | 155 | 124.1 Ų | 124.1 | 59% | 0.587 | 67% | 0.67 | S | S | * | * | | | trans | -51.3 | 107.1 | 163.7 | -63.2 | 121.6 | 0 | 0 | 0 | 109 | F131 L138 I141 | F131-W133 AromaticContact CE1-CD2 3.92Å; F131-W133 HydrophobicContact CE1-CD2 3.92Å; F131-W133 AromaticContact CE1-CE2 3.63Å; F131-W133 HydrophobicContact CE1-CE3 4.48Å; F131-W133 HydrophobicContact CE1-CG 4.28Å; F131-W133 AromaticContact CE1-CZ2 4Å; F131-W133 HydrophobicContact CE1-CZ2 4Å; F131-W133 AromaticContact CE1-NE1 3.76Å; F131-W133 AromaticContact CZ-CD2 3.7Å; F131-W133 HydrophobicContact CZ-CD2 3.7Å; F131-W133 AromaticContact CZ-CE2 3.61Å; F131-W133 AromaticContact CZ-CE3 3.8Å; F131-W133 HydrophobicContact CZ-CE3 3.8Å; F131-W133 HydrophobicContact CZ-CG 4.44Å; F131-W133 AromaticContact CZ-CH2 3.81Å; F131-W133 HydrophobicContact CZ-CH2 3.81Å; F131-W133 AromaticContact CZ-CZ2 3.69Å; F131-W133 HydrophobicContact CZ-CZ2 3.69Å; F131-W133 AromaticContact CZ-CZ3 3.85Å; F131-W133 HydrophobicContact CZ-CZ3 3.85Å; W133-L138 HydrophobicContact CB-CD1 4.2Å; W133-L138 HydrophobicContact CB-CD2 4.11Å; W133-L138 HydrophobicContact CB-CG 4.08Å; W133-L138 HydrophobicContact CD2-CD2 3.77Å; W133-L138 HydrophobicContact CE3-CD2 3.65Å; W133-L138 HydrophobicContact CE3-CG 4.4Å; W133-L138 HydrophobicContact CG-CD2 4.02Å; W133-L138 HydrophobicContact CZ3-CD2 4.25Å; W133-I141 HydrophobicContact CE3-CD1 4.47Å; W133-I141 HydrophobicContact CH2-CD1 4Å; W133-I141 HydrophobicContact CZ3-CD1 3.74Å |
| 134 | S | 83.1 | Confident | 74.2 | Confident | 39 Ų | 39 | 125.1 Ų | 125.1 | 27% | 0.273 | 68% | 0.676 | S | S | . | * | | | trans | -80.7 | 158.3 | 161.4 | 81.2 | 0 | 0 | 0 | 0 | 109 | R132 D136 Q137 L138 | R132-S134 PolarHBondContact O-N 2.95Å; S134-D136 WeakPolarHBondContact CB-OD2 3.47Å; S134-D136 PolarHBondContact O-N 2.76Å; S134-D136 PolarHBondContact OG-N 3.24Å; S134-D136 PolarHBondContact OG-OD2 3.36Å; S134-Q137 PolarHBondContact O-N 2.95Å; S134-Q137 VanDerWaalsContact O-N 3.09Å; S134-Q137 WeakPolarHBondContact OG-CG 3.48Å; S134-Q137 PolarHBondContact OG-N 3.34Å; S134-Q137 VanDerWaalsContact OG-N 3.13Å; S134-L138 PolarHBondContact O-N 3.25Å |
| 135 | I | 84.8 | Confident | 75.7 | Confident | 147 Ų | 147 | 124.4 Ų | 124.4 | 75% | 0.754 | 68% | 0.676 | S | S | * | * | H | α-helix | trans | -58.9 | -38.1 | 175.9 | -62.4 | 172 | 0 | 0 | 0 | 109.4 | Q137 L138 A139 | I135-Q137 VanDerWaalsContact C-N 3.33Å; I135-Q137 PolarHBondContact O-N 2.99Å; I135-L138 PolarHBondContact O-N 3.24Å; I135-A139 WeakPolarHBondContact O-CB 3.39Å; I135-A139 PolarHBondContact O-N 3.25Å |
| 136 | D | 86.9 | Confident | 77.2 | Confident | 120 Ų | 120 | 122.9 Ų | 122.9 | 64% | 0.642 | 67% | 0.667 | S | S | * | * | H | α-helix | trans | -65.4 | -32.8 | 177.4 | -25 | -81.9 | 0 | 0 | 0 | 112.7 | S134 V140 | S134-D136 WeakPolarHBondContact CB-OD2 3.47Å; S134-D136 PolarHBondContact O-N 2.76Å; S134-D136 PolarHBondContact OG-N 3.24Å; S134-D136 PolarHBondContact OG-OD2 3.36Å; D136-V140 WeakPolarHBondContact O-CG2 3.38Å; D136-V140 PolarHBondContact O-N 3.29Å |
| 137 | Q | 83.4 | Confident | 78.7 | Confident | 94 Ų | 94 | 121.4 Ų | 121.4 | 44% | 0.439 | 65% | 0.653 | S | S | . | * | H | α-helix | trans | -74.6 | -37.8 | 174.7 | -74.6 | 173.1 | -11.1 | 0 | 0 | 112.2 | R132 S134 I135 A139 V140 | R132-Q137 PolarHBondContact O-OE1 3.07Å; S134-Q137 PolarHBondContact O-N 2.95Å; S134-Q137 VanDerWaalsContact O-N 3.09Å; S134-Q137 WeakPolarHBondContact OG-CG 3.48Å; S134-Q137 PolarHBondContact OG-N 3.34Å; S134-Q137 VanDerWaalsContact OG-N 3.13Å; I135-Q137 VanDerWaalsContact C-N 3.33Å; I135-Q137 PolarHBondContact O-N 2.99Å; Q137-A139 VanDerWaalsContact C-N 3.33Å; Q137-V140 PolarHBondContact O-N 3.44Å |
| 138 | L | 83.4 | Confident | 80.3 | Confident | 85 Ų | 85 | 118.3 Ų | 118.3 | 45% | 0.445 | 64% | 0.635 | S | S | . | * | H | α-helix | trans | -67.1 | -36.3 | 173.8 | -66.1 | 174.6 | 0 | 0 | 0 | 111.1 | W133 S134 I135 V140 I141 | W133-L138 HydrophobicContact CB-CD1 4.2Å; W133-L138 HydrophobicContact CB-CD2 4.11Å; W133-L138 HydrophobicContact CB-CG 4.08Å; W133-L138 HydrophobicContact CD2-CD2 3.77Å; W133-L138 HydrophobicContact CE3-CD2 3.65Å; W133-L138 HydrophobicContact CE3-CG 4.4Å; W133-L138 HydrophobicContact CG-CD2 4.02Å; W133-L138 HydrophobicContact CZ3-CD2 4.25Å; S134-L138 PolarHBondContact O-N 3.25Å; I135-L138 PolarHBondContact O-N 3.24Å; L138-V140 PolarHBondContact O-N 3Å; L138-I141 HydrophobicContact CD2-CD1 3.89Å; L138-I141 WeakPolarHBondContact O-CB 3.48Å; L138-I141 PolarHBondContact O-N 3.32Å |
| 139 | A | 81.2 | Confident | 81.9 | Confident | 83 Ų | 83 | 117.7 Ų | 117.7 | 69% | 0.686 | 62% | 0.622 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -68.6 | -8.7 | 174.8 | 0 | 0 | 0 | 0 | 0 | 114.6 | I135 Q137 | I135-A139 WeakPolarHBondContact O-CB 3.39Å; I135-A139 PolarHBondContact O-N 3.25Å; Q137-A139 VanDerWaalsContact C-N 3.33Å |
| 140 | V | 85 | Confident | 82.9 | Confident | 117 Ų | 117 | 116.9 Ų | 116.9 | 71% | 0.709 | 60% | 0.6 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -93.2 | -11.9 | 171.3 | 169.6 | 0 | 0 | 0 | 0 | 111.8 | D136 Q137 L138 N142 | D136-V140 WeakPolarHBondContact O-CG2 3.38Å; D136-V140 PolarHBondContact O-N 3.29Å; Q137-V140 PolarHBondContact O-N 3.44Å; L138-V140 PolarHBondContact O-N 3Å; V140-N142 PolarHBondContact O-N 3.15Å |
| 141 | I | 86.6 | Confident | 84 | Confident | 96 Ų | 96 | 112.5 Ų | 112.5 | 49% | 0.492 | 59% | 0.585 | S | S | . | * | S | Bend | trans | -80.5 | 108.9 | 173 | -52.9 | 176.5 | 0 | 0 | 0 | 108.1 | W133 L138 | W133-I141 HydrophobicContact CE3-CD1 4.47Å; W133-I141 HydrophobicContact CH2-CD1 4Å; W133-I141 HydrophobicContact CZ3-CD1 3.74Å; L138-I141 HydrophobicContact CD2-CD1 3.89Å; L138-I141 WeakPolarHBondContact O-CB 3.48Å; L138-I141 PolarHBondContact O-N 3.32Å |
| 142 | N | 83.3 | Confident | 85 | Confident | 136 Ų | 136 | 111 Ų | 111 | 73% | 0.727 | 58% | 0.58 | S | S | * | * | P | Polyproline II helix | trans | -61.6 | 145.3 | 167.4 | -67.9 | -17.6 | 0 | 0 | 0 | 109.7 | V140 | V140-N142 PolarHBondContact O-N 3.15Š|
| 143 | P | 84.8 | Confident | 85.7 | Confident | 123 Ų | 123 | 107.6 Ų | 107.6 | 80% | 0.799 | 57% | 0.567 | S | S | * | * | P | Polyproline II helix | trans | -50.6 | 143.8 | 164 | -24.4 | 34.5 | 0 | 0 | 0 | 110.8 | E145 | P143-E145 PolarHBondContact O-N 2.66Š|
| 144 | V | 85.6 | Confident | 86.3 | Confident | 129 Ų | 129 | 106.1 Ų | 106.1 | 78% | 0.782 | 57% | 0.566 | S | S | * | * | P | Polyproline II helix | trans | -66.3 | 126.9 | 171.2 | 178.6 | 0 | 0 | 0 | 0 | 107.8 | I146 | V144-I146 PolarHBondContact O-N 3Š|
| 145 | E | 84.9 | Confident | 86.3 | Confident | 190 Ų | 190 | 106.9 Ų | 106.9 | 89% | 0.888 | 58% | 0.575 | S | S | * | * | | | trans | -70.8 | 114.4 | 171.6 | -169.5 | 160.4 | -148.7 | 0 | 0 | 107.6 | P143 | P143-E145 PolarHBondContact O-N 2.66Š|
| 146 | I | 87.5 | Confident | 86.4 | Confident | 109 Ų | 109 | 104.5 Ų | 104.5 | 56% | 0.559 | 56% | 0.563 | S | S | * | * | | | trans | -98.3 | 123.6 | 177 | -58 | 175.5 | 0 | 0 | 0 | 106.7 | V144 D150 I151 | V144-I146 PolarHBondContact O-N 3Å; I146-D150 HydrophobicContact CG2-CB 4.41Å; I146-I151 HydrophobicContact CG2-CD1 4.18Å; I146-I151 HydrophobicContact CG2-CG1 3.85Å |
| 147 | D | 90.6 | Very high | 86.2 | Confident | 84 Ų | 84 | 107 Ų | 107 | 45% | 0.449 | 57% | 0.565 | S | S | . | * | | | trans | -63.4 | 131.7 | -179.6 | -148.4 | 33.3 | 0 | 0 | 0 | 109.6 | E149 D150 I151 | D147-E149 PolarHBondContact O-N 3.44Å; D147-D150 HydrophobicContact CB-CB 4.14Å; D147-D150 WeakPolarHBondContact O-CA 3.34Å; D147-D150 VanDerWaalsContact O-CB 3.3Å; D147-D150 WeakPolarHBondContact O-CB 3.28Å; D147-D150 PolarHBondContact O-N 2.93Å; D147-I151 PolarHBondContact O-N 2.97Å |
| 148 | P | 87.3 | Confident | 86 | Confident | 68 Ų | 68 | 108.5 Ų | 108.5 | 44% | 0.442 | 58% | 0.575 | S | S | . | * | H | α-helix | trans | -63.1 | -29.2 | 178.1 | 17.4 | -19.8 | 0 | 0 | 0 | 111.3 | D150 I151 H152 | P148-D150 VanDerWaalsContact C-N 3.31Å; P148-D150 PolarHBondContact O-N 3.28Å; P148-I151 WeakPolarHBondContact O-CB 3.44Å; P148-I151 PolarHBondContact O-N 3.07Å; P148-H152 VanDerWaalsContact O-CG 3.24Å; P148-H152 PolarHBondContact O-N 3.28Å; P148-H152 PolarHBondContact O-ND1 3.39Å; P148-H152 VanDerWaalsContact O-ND1 3.16Å |
| 149 | E | 89 | Confident | 85.6 | Confident | 109 Ų | 109 | 108.2 Ų | 108.2 | 51% | 0.509 | 58% | 0.58 | S | S | . | * | H | α-helix | trans | -63.2 | -29 | 169.4 | -75.2 | 62.6 | -148.4 | 0 | 0 | 113.4 | D147 R153 | D147-E149 PolarHBondContact O-N 3.44Å; E149-R153 WeakPolarHBondContact O-CB 3.24Å; E149-R153 PolarHBondContact O-N 2.94Å; E149-R153 PolarHBondContact O-NH1 3.04Å |
| 150 | D | 88.2 | Confident | 85 | Confident | 52 Ų | 52 | 111 Ų | 111 | 28% | 0.278 | 58% | 0.579 | S | S | . | * | H | α-helix | trans | -69.5 | -42.5 | 169.9 | -77.3 | 0.9 | 0 | 0 | 0 | 111.2 | I146 D147 P148 R153 Q154 | I146-D150 HydrophobicContact CG2-CB 4.41Å; D147-D150 HydrophobicContact CB-CB 4.14Å; D147-D150 WeakPolarHBondContact O-CA 3.34Å; D147-D150 VanDerWaalsContact O-CB 3.3Å; D147-D150 WeakPolarHBondContact O-CB 3.28Å; D147-D150 PolarHBondContact O-N 2.93Å; P148-D150 VanDerWaalsContact C-N 3.31Å; P148-D150 PolarHBondContact O-N 3.28Å; D150-R153 PolarHBondContact O-N 3.24Å; D150-R153 IonicContact OD1-CZ 3.9Å; D150-R153 IonicContact OD1-NH1 2.65Å; D150-R153 PolarHBondContact OD1-NH1 2.71Å; D150-R153 IonicContact OD1-NH2 3.64Å; D150-R153 PolarHBondContact OD1-NH2 2.93Å; D150-R153 IonicContact OD2-NH2 2.69Å; D150-Q154 WeakPolarHBondContact O-CB 3.37Å; D150-Q154 WeakPolarHBondContact O-CG 3.4Å; D150-Q154 PolarHBondContact O-N 2.62Å |
| 151 | I | 88.4 | Confident | 84.3 | Confident | 92 Ų | 92 | 108.5 Ų | 108.5 | 47% | 0.472 | 57% | 0.567 | S | S | . | * | H | α-helix | trans | -64.3 | -46 | 176.9 | -56.5 | 174.8 | 0 | 0 | 0 | 109.8 | I146 D147 P148 R153 Q154 A155 | I146-I151 HydrophobicContact CG2-CD1 4.18Å; I146-I151 HydrophobicContact CG2-CG1 3.85Å; D147-I151 PolarHBondContact O-N 2.97Å; P148-I151 WeakPolarHBondContact O-CB 3.44Å; P148-I151 PolarHBondContact O-N 3.07Å; I151-R153 PolarHBondContact O-N 2.82Å; I151-Q154 PolarHBondContact O-N 2.9Å; I151-A155 WeakPolarHBondContact O-CB 3.24Å; I151-A155 PolarHBondContact O-N 2.78Å |
| 152 | H | 90.1 | Very high | 83.4 | Confident | 114 Ų | 114 | 114.9 Ų | 114.9 | 53% | 0.528 | 59% | 0.585 | S | S | . | * | H | α-helix | trans | -62.1 | -40.6 | 174.7 | -64 | 144 | 0 | 0 | 0 | 112 | P148 A155 L156 | P148-H152 VanDerWaalsContact O-CG 3.24Å; P148-H152 PolarHBondContact O-N 3.28Å; P148-H152 PolarHBondContact O-ND1 3.39Å; P148-H152 VanDerWaalsContact O-ND1 3.16Å; H152-A155 PolarHBondContact O-N 3.32Å; H152-L156 WeakPolarHBondContact O-CB 3.49Å; H152-L156 VanDerWaalsContact O-CG 3.26Å; H152-L156 WeakPolarHBondContact O-CG 3.38Å; H152-L156 PolarHBondContact O-N 2.92Å |
| 153 | R | 89.8 | Confident | 82.7 | Confident | 117 Ų | 117 | 112.9 Ų | 112.9 | 44% | 0.442 | 57% | 0.573 | S | S | . | * | H | α-helix | trans | -66.4 | -37.3 | 176.7 | -173.3 | 169 | 71.3 | -97.7 | 6.2 | 112.5 | E149 D150 I151 Y157 | E149-R153 WeakPolarHBondContact O-CB 3.24Å; E149-R153 PolarHBondContact O-N 2.94Å; E149-R153 PolarHBondContact O-NH1 3.04Å; D150-R153 PolarHBondContact O-N 3.24Å; D150-R153 IonicContact OD1-CZ 3.9Å; D150-R153 IonicContact OD1-NH1 2.65Å; D150-R153 PolarHBondContact OD1-NH1 2.71Å; D150-R153 IonicContact OD1-NH2 3.64Å; D150-R153 PolarHBondContact OD1-NH2 2.93Å; D150-R153 IonicContact OD2-NH2 2.69Å; I151-R153 PolarHBondContact O-N 2.82Å; R153-Y157 WeakPolarHBondContact O-CB 3.34Å; R153-Y157 PolarHBondContact O-N 2.83Å |
| 154 | Q | 87.4 | Confident | 82.5 | Confident | 124 Ų | 124 | 111.4 Ų | 111.4 | 58% | 0.579 | 56% | 0.558 | S | S | * | * | H | α-helix | trans | -68.1 | -44.6 | 173 | -72.4 | 177 | 24.1 | 0 | 0 | 111.7 | D150 I151 L156 Y157 L158 | D150-Q154 WeakPolarHBondContact O-CB 3.37Å; D150-Q154 WeakPolarHBondContact O-CG 3.4Å; D150-Q154 PolarHBondContact O-N 2.62Å; I151-Q154 PolarHBondContact O-N 2.9Å; Q154-L156 VanDerWaalsContact C-N 3.33Å; Q154-L156 PolarHBondContact O-N 2.93Å; Q154-Y157 PolarHBondContact O-N 3.15Å; Q154-L158 WeakPolarHBondContact O-CB 3.48Å; Q154-L158 WeakPolarHBondContact O-CG 3.15Å; Q154-L158 PolarHBondContact O-N 3.34Å |
| 155 | A | 84.8 | Confident | 82.7 | Confident | 55 Ų | 55 | 112 Ų | 112 | 46% | 0.455 | 55% | 0.55 | S | S | . | * | H | α-helix | trans | -61.8 | -40.2 | 175.7 | 0 | 0 | 0 | 0 | 0 | 112.1 | I151 H152 L158 S159 | I151-A155 WeakPolarHBondContact O-CB 3.24Å; I151-A155 PolarHBondContact O-N 2.78Å; H152-A155 PolarHBondContact O-N 3.32Å; A155-L158 PolarHBondContact O-N 2.91Å; A155-S159 PolarHBondContact O-N 3.25Å; A155-S159 PolarHBondContact O-OG 2.91Å |
| 156 | L | 85.9 | Confident | 83 | Confident | 97 Ų | 97 | 108.8 Ų | 108.8 | 51% | 0.508 | 54% | 0.539 | S | S | . | . | H | α-helix | trans | -62.9 | -46.5 | 171.3 | -76.5 | 165.9 | 0 | 0 | 0 | 111.6 | H152 Q154 L158 S159 H160 | H152-L156 WeakPolarHBondContact O-CB 3.49Å; H152-L156 VanDerWaalsContact O-CG 3.26Å; H152-L156 WeakPolarHBondContact O-CG 3.38Å; H152-L156 PolarHBondContact O-N 2.92Å; Q154-L156 VanDerWaalsContact C-N 3.33Å; Q154-L156 PolarHBondContact O-N 2.93Å; L156-L158 VanDerWaalsContact C-N 3.29Å; L156-L158 PolarHBondContact O-N 3.11Å; L156-S159 PolarHBondContact O-N 2.99Å; L156-S159 PolarHBondContact O-OG 2.79Å; L156-S159 VanDerWaalsContact O-OG 3.05Å; L156-H160 WeakPolarHBondContact O-CB 3.38Å; L156-H160 PolarHBondContact O-N 3.04Å; L156-H160 PolarHBondContact O-ND1 3.17Å |
| 157 | Y | 82.4 | Confident | 83.2 | Confident | 172 Ų | 172 | 106.2 Ų | 106.2 | 68% | 0.675 | 53% | 0.529 | S | S | * | . | H | α-helix | trans | -61.2 | -39.2 | 177.9 | -172 | -92.7 | 0 | 0 | 0 | 112.1 | R153 Q154 H160 S161 | R153-Y157 WeakPolarHBondContact O-CB 3.34Å; R153-Y157 PolarHBondContact O-N 2.83Å; Q154-Y157 PolarHBondContact O-N 3.15Å; Y157-H160 PolarHBondContact O-N 3.36Å; Y157-S161 WeakPolarHBondContact O-CB 3.4Å; Y157-S161 PolarHBondContact O-N 2.92Å |
| 158 | L | 80.2 | Confident | 83.2 | Confident | 126 Ų | 126 | 105.7 Ų | 105.7 | 66% | 0.66 | 52% | 0.523 | S | S | * | . | H | α-helix | trans | -69.2 | -36.6 | 176.2 | -69.7 | 170 | 0 | 0 | 0 | 112.7 | Q154 A155 L156 S161 | Q154-L158 WeakPolarHBondContact O-CB 3.48Å; Q154-L158 WeakPolarHBondContact O-CG 3.15Å; Q154-L158 PolarHBondContact O-N 3.34Å; A155-L158 PolarHBondContact O-N 2.91Å; L156-L158 VanDerWaalsContact C-N 3.29Å; L156-L158 PolarHBondContact O-N 3.11Å; L158-S161 WeakPolarHBondContact O-CB 3.49Å; L158-S161 PolarHBondContact O-N 3.05Å |
| 159 | S | 75.3 | Confident | 83.5 | Confident | 79 Ų | 79 | 106.5 Ų | 106.5 | 55% | 0.552 | 52% | 0.524 | S | S | * | . | H | α-helix | trans | -76.6 | -27 | 174.7 | 67 | 0 | 0 | 0 | 0 | 113.6 | A155 L156 S161 | A155-S159 PolarHBondContact O-N 3.25Å; A155-S159 PolarHBondContact O-OG 2.91Å; L156-S159 PolarHBondContact O-N 2.99Å; L156-S159 PolarHBondContact O-OG 2.79Å; L156-S159 VanDerWaalsContact O-OG 3.05Å; S159-S161 VanDerWaalsContact C-N 3.34Å |
| 160 | H | 68.8 | Low | 83.8 | Confident | 142 Ų | 142 | 108.7 Ų | 108.7 | 66% | 0.657 | 53% | 0.532 | S | S | * | . | H | α-helix | trans | -78.7 | -20.7 | 170.7 | -72.6 | 64.7 | 0 | 0 | 0 | 112.3 | L156 Y157 R162 | L156-H160 WeakPolarHBondContact O-CB 3.38Å; L156-H160 PolarHBondContact O-N 3.04Å; L156-H160 PolarHBondContact O-ND1 3.17Å; Y157-H160 PolarHBondContact O-N 3.36Å; H160-R162 PolarHBondContact O-N 2.82Å |
| 161 | S | 70.3 | Confident | 84.1 | Confident | 64 Ų | 64 | 111.7 Ų | 111.7 | 45% | 0.448 | 54% | 0.54 | S | S | . | . | S | Bend | trans | -69.1 | 75.9 | 161 | -156.2 | 0 | 0 | 0 | 0 | 109 | Y157 L158 S159 I163 | Y157-S161 WeakPolarHBondContact O-CB 3.4Å; Y157-S161 PolarHBondContact O-N 2.92Å; L158-S161 WeakPolarHBondContact O-CB 3.49Å; L158-S161 PolarHBondContact O-N 3.05Å; S159-S161 VanDerWaalsContact C-N 3.34Å; S161-I163 PolarHBondContact O-N 3.39Å |
| 162 | R | 65.9 | Low | 84.4 | Confident | 230 Ų | 230 | 111.5 Ų | 111.5 | 87% | 0.868 | 54% | 0.536 | S | S | * | . | | | trans | -63.3 | 85.3 | 167.8 | -70.5 | -172.4 | 178.3 | -163.5 | -0.4 | 108.3 | H160 D164 | H160-R162 PolarHBondContact O-N 2.82Å; R162-D164 PolarHBondContact O-N 3.32Å; R162-D164 VanDerWaalsContact O-N 3.15Å |
| 163 | I | 69.8 | Low | 84.6 | Confident | 95 Ų | 95 | 112.5 Ų | 112.5 | 49% | 0.487 | 54% | 0.539 | S | S | . | . | | | trans | -50.8 | 120.2 | 153 | -117 | 67 | 0 | 0 | 0 | 105.3 | S161 K165 E168 | S161-I163 PolarHBondContact O-N 3.39Å; I163-K165 PolarHBondContact O-N 2.69Å; I163-K165 VanDerWaalsContact O-N 3.13Å; I163-E168 HydrophobicContact CG2-CB 3.82Å; I163-E168 HydrophobicContact CG2-CG 4.28Å |
| 164 | D | 81.1 | Confident | 84.7 | Confident | 92 Ų | 92 | 109.7 Ų | 109.7 | 49% | 0.492 | 54% | 0.541 | S | S | . | . | | | trans | -63.7 | 117.2 | 176.2 | -179.3 | -4.5 | 0 | 0 | 0 | 107.3 | R162 D166 V167 E168 | R162-D164 PolarHBondContact O-N 3.32Å; R162-D164 VanDerWaalsContact O-N 3.15Å; D164-D166 PolarHBondContact O-N 3.07Å; D164-D166 PolarHBondContact OD1-N 3.11Å; D164-V167 HydrophobicContact CB-CB 4.03Å; D164-V167 HydrophobicContact CB-CG2 3.78Å; D164-V167 WeakPolarHBondContact O-CA 3.19Å; D164-V167 WeakPolarHBondContact O-CB 3.49Å; D164-V167 PolarHBondContact O-N 2.75Å; D164-V167 WeakPolarHBondContact OD2-CG2 3.44Å; D164-E168 PolarHBondContact O-N 3.08Å |
| 165 | K | 88.8 | Confident | 84.9 | Confident | 140 Ų | 140 | 107.7 Ų | 107.7 | 61% | 0.609 | 53% | 0.533 | S | S | * | . | H | α-helix | trans | -59.5 | -38.9 | -174 | -174.8 | -178.3 | 173.6 | -175.4 | 0 | 110.6 | I163 V167 E168 D169 | I163-K165 PolarHBondContact O-N 2.69Å; I163-K165 VanDerWaalsContact O-N 3.13Å; K165-V167 PolarHBondContact O-N 2.88Å; K165-E168 PolarHBondContact O-N 3.42Å; K165-D169 VanDerWaalsContact CE-OD2 3.23Å; K165-D169 WeakPolarHBondContact CE-OD2 3.4Å; K165-D169 WeakPolarHBondContact O-CB 3.33Å; K165-D169 PolarHBondContact O-N 2.83Å |
| 166 | D | 91.3 | Very high | 85.2 | Confident | 123 Ų | 123 | 109.7 Ų | 109.7 | 66% | 0.658 | 53% | 0.533 | S | S | * | . | H | α-helix | trans | -66.6 | -24.5 | 178.8 | -67.5 | -6.5 | 0 | 0 | 0 | 111.7 | D164 K170 | D164-D166 PolarHBondContact O-N 3.07Å; D164-D166 PolarHBondContact OD1-N 3.11Å; D166-K170 WeakPolarHBondContact O-CB 3.33Å; D166-K170 PolarHBondContact O-N 3Å |
| 167 | V | 91.1 | Very high | 85.4 | Confident | 55 Ų | 55 | 109.6 Ų | 109.6 | 33% | 0.333 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -83.4 | -36.1 | 174.6 | -178.6 | 0 | 0 | 0 | 0 | 111.4 | D164 K165 K170 R171 | D164-V167 HydrophobicContact CB-CB 4.03Å; D164-V167 HydrophobicContact CB-CG2 3.78Å; D164-V167 WeakPolarHBondContact O-CA 3.19Å; D164-V167 WeakPolarHBondContact O-CB 3.49Å; D164-V167 PolarHBondContact O-N 2.75Å; D164-V167 WeakPolarHBondContact OD2-CG2 3.44Å; K165-V167 PolarHBondContact O-N 2.88Å; V167-K170 PolarHBondContact O-N 3.16Å; V167-R171 VanDerWaalsContact O-CG 3.31Å; V167-R171 WeakPolarHBondContact O-CG 3.45Å; V167-R171 PolarHBondContact O-N 2.95Å |
| 168 | E | 91.3 | Very high | 85.6 | Confident | 73 Ų | 73 | 107.1 Ų | 107.1 | 34% | 0.341 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -72.2 | -46.3 | 174.8 | -163.7 | 59.3 | -129.6 | 0 | 0 | 112 | I163 D164 K165 K170 R171 Q172 | I163-E168 HydrophobicContact CG2-CB 3.82Å; I163-E168 HydrophobicContact CG2-CG 4.28Å; D164-E168 PolarHBondContact O-N 3.08Å; K165-E168 PolarHBondContact O-N 3.42Å; E168-K170 PolarHBondContact O-N 3.18Å; E168-K170 VanDerWaalsContact O-N 3.17Å; E168-R171 WeakPolarHBondContact O-CA 3.31Å; E168-R171 WeakPolarHBondContact O-CB 3.38Å; E168-R171 PolarHBondContact O-N 2.93Å; E168-R171 WeakPolarHBondContact OE2-CD 3.42Å; E168-R171 IonicContact OE2-CZ 3.12Å; E168-R171 IonicContact OE2-NE 2.62Å; E168-R171 IonicContact OE2-NH1 2.67Å; E168-R171 PolarHBondContact OE2-NH1 2.87Å; E168-Q172 WeakPolarHBondContact O-CB 3.47Å; E168-Q172 PolarHBondContact O-N 2.98Å |
| 169 | D | 93.7 | Very high | 85.8 | Confident | 86 Ų | 86 | 107.6 Ų | 107.6 | 46% | 0.46 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -57.5 | -32.8 | 172.8 | -71.3 | -7.3 | 0 | 0 | 0 | 110.5 | K165 K173 | K165-D169 VanDerWaalsContact CE-OD2 3.23Å; K165-D169 WeakPolarHBondContact CE-OD2 3.4Å; K165-D169 WeakPolarHBondContact O-CB 3.33Å; K165-D169 PolarHBondContact O-N 2.83Å; D169-K173 WeakPolarHBondContact O-CB 3.5Å; D169-K173 PolarHBondContact O-N 3.33Å |
| 170 | K | 95.1 | Very high | 86.3 | Confident | 155 Ų | 155 | 109.1 Ų | 109.1 | 67% | 0.674 | 53% | 0.527 | S | S | * | . | H | α-helix | trans | -73.5 | -34 | 172.4 | -177.5 | 177.4 | -179.5 | -179.6 | 0 | 113.9 | D166 V167 E168 A174 | D166-K170 WeakPolarHBondContact O-CB 3.33Å; D166-K170 PolarHBondContact O-N 3Å; V167-K170 PolarHBondContact O-N 3.16Å; E168-K170 PolarHBondContact O-N 3.18Å; E168-K170 VanDerWaalsContact O-N 3.17Å; K170-A174 WeakPolarHBondContact O-CB 3.13Å; K170-A174 PolarHBondContact O-N 3.05Å |
| 171 | R | 94.2 | Very high | 86.5 | Confident | 115 Ų | 115 | 107.4 Ų | 107.4 | 43% | 0.434 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -66 | -51.3 | 171.4 | -72.4 | 163.5 | -172.6 | 146.5 | 4.3 | 110 | V167 E168 K173 A174 I175 | V167-R171 VanDerWaalsContact O-CG 3.31Å; V167-R171 WeakPolarHBondContact O-CG 3.45Å; V167-R171 PolarHBondContact O-N 2.95Å; E168-R171 WeakPolarHBondContact O-CA 3.31Å; E168-R171 WeakPolarHBondContact O-CB 3.38Å; E168-R171 PolarHBondContact O-N 2.93Å; E168-R171 WeakPolarHBondContact OE2-CD 3.42Å; E168-R171 IonicContact OE2-CZ 3.12Å; E168-R171 IonicContact OE2-NE 2.62Å; E168-R171 IonicContact OE2-NH1 2.67Å; E168-R171 PolarHBondContact OE2-NH1 2.87Å; R171-K173 PolarHBondContact O-N 2.86Å; R171-A174 WeakPolarHBondContact O-CB 3.49Å; R171-A174 PolarHBondContact O-N 2.94Å; R171-A174 VanDerWaalsContact O-N 3.07Å; R171-I175 WeakPolarHBondContact O-CG1 3.12Å; R171-I175 PolarHBondContact O-N 3.31Å |
| 172 | Q | 95.4 | Very high | 86.1 | Confident | 87 Ų | 87 | 112.2 Ų | 112.2 | 41% | 0.407 | 54% | 0.538 | S | S | . | . | H | α-helix | trans | -58.7 | -46.1 | 178.1 | 179.3 | 55.5 | 26.4 | 0 | 0 | 111.3 | E168 A174 I175 E176 | E168-Q172 WeakPolarHBondContact O-CB 3.47Å; E168-Q172 PolarHBondContact O-N 2.98Å; Q172-A174 VanDerWaalsContact C-N 3.33Å; Q172-A174 PolarHBondContact O-N 2.88Å; Q172-I175 WeakPolarHBondContact O-CB 3.43Å; Q172-I175 PolarHBondContact O-N 3.13Å; Q172-E176 WeakPolarHBondContact CG-OE1 3.38Å; Q172-E176 PolarHBondContact NE2-OE1 2.8Å; Q172-E176 WeakPolarHBondContact O-CG 3.46Å; Q172-E176 PolarHBondContact O-N 3.28Å |
| 173 | K | 94.4 | Very high | 85.9 | Confident | 136 Ų | 136 | 106.9 Ų | 106.9 | 59% | 0.591 | 53% | 0.531 | S | S | * | . | H | α-helix | trans | -61 | -37.8 | 173.2 | -178.9 | 175.1 | 177.9 | 177.1 | 0 | 113.2 | D169 R171 I175 E176 E177 | D169-K173 WeakPolarHBondContact O-CB 3.5Å; D169-K173 PolarHBondContact O-N 3.33Å; R171-K173 PolarHBondContact O-N 2.86Å; K173-I175 VanDerWaalsContact C-N 3.34Å; K173-E176 PolarHBondContact O-N 3.09Å; K173-E177 WeakPolarHBondContact O-CB 3.37Å; K173-E177 PolarHBondContact O-N 2.85Å |
| 174 | A | 92.3 | Very high | 85.6 | Confident | 57 Ų | 57 | 105.3 Ų | 105.3 | 47% | 0.471 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -69.5 | -33.1 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112.3 | K170 R171 Q172 F178 | K170-A174 WeakPolarHBondContact O-CB 3.13Å; K170-A174 PolarHBondContact O-N 3.05Å; R171-A174 WeakPolarHBondContact O-CB 3.49Å; R171-A174 PolarHBondContact O-N 2.94Å; R171-A174 VanDerWaalsContact O-N 3.07Å; Q172-A174 VanDerWaalsContact C-N 3.33Å; Q172-A174 PolarHBondContact O-N 2.88Å; A174-F178 WeakPolarHBondContact O-CB 3.42Å; A174-F178 PolarHBondContact O-N 3.46Å |
| 175 | I | 91.3 | Very high | 84.4 | Confident | 82 Ų | 82 | 106.6 Ų | 106.6 | 42% | 0.421 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -65.3 | -52 | 170.6 | -68.3 | 164.2 | 0 | 0 | 0 | 109.5 | R171 Q172 K173 E177 F178 F179 | R171-I175 WeakPolarHBondContact O-CG1 3.12Å; R171-I175 PolarHBondContact O-N 3.31Å; Q172-I175 WeakPolarHBondContact O-CB 3.43Å; Q172-I175 PolarHBondContact O-N 3.13Å; K173-I175 VanDerWaalsContact C-N 3.34Å; I175-E177 VanDerWaalsContact C-N 3.32Å; I175-E177 PolarHBondContact O-N 3.5Å; I175-F178 WeakPolarHBondContact O-CA 3.43Å; I175-F178 WeakPolarHBondContact O-CB 3.47Å; I175-F178 PolarHBondContact O-N 3.05Å; I175-F179 HydrophobicContact CG2-CD2 3.77Å; I175-F179 HydrophobicContact CG2-CE2 3.93Å; I175-F179 WeakPolarHBondContact O-CD2 3.33Å; I175-F179 PolarHBondContact O-N 3.39Å |
| 176 | E | 91.5 | Very high | 83.1 | Confident | 98 Ų | 98 | 103.8 Ų | 103.8 | 46% | 0.458 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -58 | -42.1 | 176.5 | -72.5 | 168.3 | -169.4 | 0 | 0 | 112.3 | Q172 K173 F178 F179 T180 | Q172-E176 WeakPolarHBondContact CG-OE1 3.38Å; Q172-E176 PolarHBondContact NE2-OE1 2.8Å; Q172-E176 WeakPolarHBondContact O-CG 3.46Å; Q172-E176 PolarHBondContact O-N 3.28Å; K173-E176 PolarHBondContact O-N 3.09Å; E176-F178 VanDerWaalsContact C-N 3.27Å; E176-F178 PolarHBondContact O-N 3.45Å; E176-F179 PolarHBondContact O-N 2.65Å; E176-T180 WeakPolarHBondContact O-CB 3.47Å; E176-T180 PolarHBondContact O-N 2.93Å; E176-T180 PolarHBondContact O-OG1 3.43Å |
| 177 | E | 90.4 | Very high | 81.4 | Confident | 95 Ų | 95 | 101.3 Ų | 101.3 | 44% | 0.444 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -66.1 | -28.7 | 176.3 | -174.1 | 175.1 | 163.2 | 0 | 0 | 112.4 | K173 I175 K181 | K173-E177 WeakPolarHBondContact O-CB 3.37Å; K173-E177 PolarHBondContact O-N 2.85Å; I175-E177 VanDerWaalsContact C-N 3.32Å; I175-E177 PolarHBondContact O-N 3.5Å; E177-K181 HydrophobicContact CG-CD 4.37Å; E177-K181 VanDerWaalsContact CG-CE 3.49Å; E177-K181 VanDerWaalsContact CG-NZ 3.34Å; E177-K181 VanDerWaalsContact O-CD 3.28Å; E177-K181 WeakPolarHBondContact O-CD 3.32Å; E177-K181 VanDerWaalsContact O-CG 3.24Å; E177-K181 WeakPolarHBondContact O-CG 3.17Å; E177-K181 IonicContact OE1-NZ 3.36Å; E177-K181 PolarHBondContact OE1-NZ 2.95Å |
| 178 | F | 85.1 | Confident | 79.9 | Confident | 119 Ų | 119 | 104.4 Ų | 104.4 | 52% | 0.522 | 54% | 0.543 | S | S | . | . | H | α-helix | trans | -76.2 | -41.5 | 173.2 | 179.6 | -96.7 | 0 | 0 | 0 | 112.4 | A174 I175 E176 K181 I184 | A174-F178 WeakPolarHBondContact O-CB 3.42Å; A174-F178 PolarHBondContact O-N 3.46Å; I175-F178 WeakPolarHBondContact O-CA 3.43Å; I175-F178 WeakPolarHBondContact O-CB 3.47Å; I175-F178 PolarHBondContact O-N 3.05Å; E176-F178 VanDerWaalsContact C-N 3.27Å; E176-F178 PolarHBondContact O-N 3.45Å; F178-K181 VanDerWaalsContact O-O 3.13Å; F178-I184 HydrophobicContact CD1-CD1 3.93Å; F178-I184 HydrophobicContact CD1-CG1 4.06Å; F178-I184 HydrophobicContact CE1-CD1 3.71Å; F178-I184 HydrophobicContact CE1-CG1 3.62Å; F178-I184 HydrophobicContact CZ-CG1 3.99Å |
| 179 | F | 84.8 | Confident | 78.1 | Confident | 136 Ų | 136 | 111.1 Ų | 111.1 | 60% | 0.596 | 57% | 0.565 | S | S | * | * | H | α-helix | trans | -80.2 | -25.2 | 179 | -79.1 | -84.3 | 0 | 0 | 0 | 114.2 | I175 E176 I184 | I175-F179 HydrophobicContact CG2-CD2 3.77Å; I175-F179 HydrophobicContact CG2-CE2 3.93Å; I175-F179 WeakPolarHBondContact O-CD2 3.33Å; I175-F179 PolarHBondContact O-N 3.39Å; E176-F179 PolarHBondContact O-N 2.65Å; F179-I184 HydrophobicContact CB-CD1 4.3Å; F179-I184 HydrophobicContact CD1-CD1 3.19Å; F179-I184 HydrophobicContact CE1-CD1 3.48Å; F179-I184 VanDerWaalsContact CE1-CD1 3.48Å; F179-I184 HydrophobicContact CG-CD1 3.78Å; F179-I184 HydrophobicContact CZ-CD1 4.27Å |
| 180 | T | 85 | Confident | 76.4 | Confident | 112 Ų | 112 | 109.9 Ų | 109.9 | 69% | 0.687 | 56% | 0.561 | S | S | * | * | S | Bend | trans | -82.3 | -18 | 177.2 | -53.6 | 0 | 0 | 0 | 0 | 112.4 | E176 | E176-T180 WeakPolarHBondContact O-CB 3.47Å; E176-T180 PolarHBondContact O-N 2.93Å; E176-T180 PolarHBondContact O-OG1 3.43Å |
| 181 | K | 74.3 | Confident | 74.1 | Confident | 105 Ų | 105 | 110.2 Ų | 110.2 | 46% | 0.457 | 57% | 0.57 | S | S | . | * | S | Bend | trans | -88.8 | 121.4 | 168.2 | -69.2 | 171.8 | -169 | 169.9 | 0 | 108 | E177 F178 V183 | E177-K181 HydrophobicContact CG-CD 4.37Å; E177-K181 VanDerWaalsContact CG-CE 3.49Å; E177-K181 VanDerWaalsContact CG-NZ 3.34Å; E177-K181 VanDerWaalsContact O-CD 3.28Å; E177-K181 WeakPolarHBondContact O-CD 3.32Å; E177-K181 VanDerWaalsContact O-CG 3.24Å; E177-K181 WeakPolarHBondContact O-CG 3.17Å; E177-K181 IonicContact OE1-NZ 3.36Å; E177-K181 PolarHBondContact OE1-NZ 2.95Å; F178-K181 VanDerWaalsContact O-O 3.13Å; K181-V183 HydrophobicContact CB-CG2 4.3Å; K181-V183 PolarHBondContact O-N 3.17Å |
| 182 | D | 62.2 | Low | 72.1 | Confident | 165 Ų | 165 | 111.6 Ų | 111.6 | 88% | 0.882 | 58% | 0.581 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -68.6 | 36.3 | 173.8 | -59.5 | -59.4 | 0 | 0 | 0 | 113.6 | | |
| 183 | V | 62.1 | Low | 69.8 | Low | 119 Ų | 119 | 116.5 Ų | 116.5 | 72% | 0.721 | 60% | 0.604 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -102.2 | 2.2 | 174.3 | -171.4 | 0 | 0 | 0 | 0 | 110.3 | K181 V185 | K181-V183 HydrophobicContact CB-CG2 4.3Å; K181-V183 PolarHBondContact O-N 3.17Å; V183-V185 VanDerWaalsContact C-N 3.33Å; V183-V185 PolarHBondContact O-N 2.83Å |
| 184 | I | 62.6 | Low | 67.5 | Low | 61 Ų | 61 | 113.2 Ų | 113.2 | 31% | 0.313 | 61% | 0.609 | S | S | . | * | S | Bend | trans | -61.4 | 101.9 | 155.5 | -62.1 | -173.7 | 0 | 0 | 0 | 107.2 | F178 F179 P186 | F178-I184 HydrophobicContact CD1-CD1 3.93Å; F178-I184 HydrophobicContact CD1-CG1 4.06Å; F178-I184 HydrophobicContact CE1-CD1 3.71Å; F178-I184 HydrophobicContact CE1-CG1 3.62Å; F178-I184 HydrophobicContact CZ-CG1 3.99Å; F179-I184 HydrophobicContact CB-CD1 4.3Å; F179-I184 HydrophobicContact CD1-CD1 3.19Å; F179-I184 HydrophobicContact CE1-CD1 3.48Å; F179-I184 VanDerWaalsContact CE1-CD1 3.48Å; F179-I184 HydrophobicContact CG-CD1 3.78Å; F179-I184 HydrophobicContact CZ-CD1 4.27Å; I184-P186 WeakPolarHBondContact O-CD 3.41Å; I184-P186 VanDerWaalsContact O-N 3.14Å |
| 185 | V | 55 | Low | 65.7 | Low | 120 Ų | 120 | 120.2 Ų | 120.2 | 73% | 0.727 | 63% | 0.629 | S | S | * | * | P | Polyproline II helix | trans | -52.3 | 119.9 | 166.1 | 179.5 | 0 | 0 | 0 | 0 | 106.6 | V183 S187 | V183-V185 VanDerWaalsContact C-N 3.33Å; V183-V185 PolarHBondContact O-N 2.83Å; V185-S187 PolarHBondContact O-N 3.07Å |
| 186 | P | 61.4 | Low | 63 | Low | 80 Ų | 80 | 124.5 Ų | 124.5 | 52% | 0.519 | 65% | 0.647 | S | S | . | * | P | Polyproline II helix | trans | -52.2 | 142.3 | 178.8 | -27.5 | 35.3 | 0 | 0 | 0 | 110 | I184 | I184-P186 WeakPolarHBondContact O-CD 3.41Å; I184-P186 VanDerWaalsContact O-N 3.14Å |
| 187 | S | 56.2 | Low | 61 | Low | 71 Ų | 71 | 128.6 Ų | 128.6 | 50% | 0.497 | 67% | 0.671 | S | S | . | * | P | Polyproline II helix | trans | -49.4 | 130.4 | 176 | -175.5 | 0 | 0 | 0 | 0 | 108.4 | V185 W189 T190 | V185-S187 PolarHBondContact O-N 3.07Å; S187-W189 PolarHBondContact O-N 3.45Å; S187-T190 PolarHBondContact O-N 2.89Å; S187-T190 PolarHBondContact O-OG1 3.03Å |
| 188 | P | 59.1 | Low | 58.7 | Low | 120 Ų | 120 | 127.5 Ų | 127.5 | 78% | 0.779 | 67% | 0.674 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -61.9 | 11.1 | -172.6 | -27.6 | 36.3 | 0 | 0 | 0 | 116.8 | | |
| 189 | W | 53.1 | Low | 57 | Low | 214 Ų | 214 | 129.7 Ų | 129.7 | 81% | 0.811 | 69% | 0.686 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -119 | 3 | -177.1 | -55.9 | 98.4 | 0 | 0 | 0 | 112.8 | S187 | S187-W189 PolarHBondContact O-N 3.45Š|
| 190 | T | 58 | Low | 54.3 | Low | 60 Ų | 60 | 128 Ų | 128 | 37% | 0.368 | 69% | 0.69 | S | S | . | * | | | trans | -107.1 | 95.2 | 176 | 55.3 | 0 | 0 | 0 | 0 | 111.3 | S187 H192 | S187-T190 PolarHBondContact O-N 2.89Å; S187-T190 PolarHBondContact O-OG1 3.03Å; T190-H192 PolarHBondContact O-N 2.82Å; T190-H192 VanDerWaalsContact O-N 3.15Å |
| 191 | D | 48.1 | Very low | 52.4 | Low | 162 Ų | 162 | 129.6 Ų | 129.6 | 87% | 0.866 | 69% | 0.689 | S | S | * | * | | | trans | -61.1 | 113.2 | 163.6 | -74.8 | -46.5 | 0 | 0 | 0 | 109 | | |
| 192 | H | 52.3 | Low | 50.4 | Low | 145 Ų | 145 | 129.7 Ų | 129.7 | 67% | 0.671 | 70% | 0.703 | S | S | * | * | | | trans | -123.8 | 82.6 | -177.3 | -78.2 | -5.3 | 0 | 0 | 0 | 110.5 | T190 G194 | T190-H192 PolarHBondContact O-N 2.82Å; T190-H192 VanDerWaalsContact O-N 3.15Å; H192-G194 PolarHBondContact O-N 2.81Å |
| 193 | E | 46.3 | Very low | 49.5 | Very low | 189 Ų | 189 | 127.6 Ų | 127.6 | 88% | 0.883 | 70% | 0.701 | S | S | * | * | | | trans | -46 | 124.1 | 165.6 | -60.1 | -72.9 | -169.2 | 0 | 0 | 110.1 | | |
| 194 | G | 47.1 | Very low | 48.4 | Very low | 67 Ų | 67 | 130.1 Ų | 130.1 | 69% | 0.691 | 70% | 0.703 | S | S | * | * | | | trans | -74.1 | 134.3 | -161.2 | 0 | 0 | 0 | 0 | 0 | 115.7 | H192 | H192-G194 PolarHBondContact O-N 2.81Š|
| 195 | K | 53.4 | Low | 46.9 | Very low | 204 Ų | 204 | 133.6 Ų | 133.6 | 89% | 0.887 | 73% | 0.731 | S | S | * | * | | | trans | 74.1 | 99.8 | 157.5 | -49.2 | 169.3 | -175.9 | 174.7 | 0 | 117.7 | | |
| 196 | Q | 35.5 | Very low | 46 | Very low | 173 Ų | 173 | 132.9 Ų | 132.9 | 81% | 0.808 | 73% | 0.727 | S | S | * | * | | | | -164.8 | 157.4 | 100.5 | -118.9 | -169.8 | 14.6 | 0 | 0 | 113.4 | S198 | Q196-S198 PolarHBondContact O-N 2.56Š|
| 197 | L | 49.4 | Very low | 45 | Very low | 183 Ų | 183 | 135.5 Ų | 135.5 | 96% | 0.958 | 74% | 0.737 | S | S | * | * | | | trans | -72.5 | 75.6 | 157.1 | -83.3 | 164.5 | 0 | 0 | 0 | 109.4 | | |
| 198 | S | 42.2 | Very low | 44.2 | Very low | 73 Ų | 73 | 139.6 Ų | 139.6 | 51% | 0.51 | 75% | 0.751 | S | S | . | * | | | trans | -100.6 | 107.8 | 168.2 | 56.4 | 0 | 0 | 0 | 0 | 109.4 | Q196 C200 | Q196-S198 PolarHBondContact O-N 2.56Å; S198-C200 PolarHBondContact O-N 3.37Å; S198-C200 PolarHBondContact OG-SG 3Å |
| 199 | Q | 48.7 | Very low | 43 | Very low | 165 Ų | 165 | 140.2 Ų | 140.2 | 77% | 0.771 | 75% | 0.748 | S | S | * | * | | | trans | -70.6 | 75.1 | 175 | -170.2 | -175.2 | 8.2 | 0 | 0 | 110.1 | H201 | Q199-H201 VanDerWaalsContact C-N 3.32Å; Q199-H201 PolarHBondContact NE2-NE2 2.95Å; Q199-H201 PolarHBondContact O-CD2 3.17Å; Q199-H201 PolarHBondContact O-N 2.99Å |
| 200 | C | 28.3 | Very low | 42.6 | Very low | 101 Ų | 101 | 135.2 Ų | 135.2 | 68% | 0.682 | 75% | 0.745 | S | S | * | * | | | trans | -76.7 | 78.6 | -173.2 | -74.8 | 0 | 0 | 0 | 0 | 112.5 | S198 S202 | S198-C200 PolarHBondContact O-N 3.37Å; S198-C200 PolarHBondContact OG-SG 3Å; C200-S202 PolarHBondContact O-N 3.47Å |
| 201 | H | 45.3 | Very low | 41.6 | Very low | 144 Ų | 144 | 139.9 Ų | 139.9 | 67% | 0.667 | 77% | 0.768 | S | S | * | * | | | trans | -56.7 | 97.7 | 156.8 | -65.6 | -79.6 | 0 | 0 | 0 | 109.3 | Q199 | Q199-H201 VanDerWaalsContact C-N 3.32Å; Q199-H201 PolarHBondContact NE2-NE2 2.95Å; Q199-H201 PolarHBondContact O-CD2 3.17Å; Q199-H201 PolarHBondContact O-N 2.99Å |
| 202 | S | 33 | Very low | 41 | Very low | 108 Ų | 108 | 138 Ų | 138 | 76% | 0.755 | 77% | 0.768 | S | S | * | * | | | trans | -106.9 | 45.6 | -179.5 | -158 | 0 | 0 | 0 | 0 | 112.2 | C200 K204 | C200-S202 PolarHBondContact O-N 3.47Å; S202-K204 PolarHBondContact O-N 3.25Å |
| 203 | S | 43.3 | Very low | 40.4 | Very low | 120 Ų | 120 | 136.6 Ų | 136.6 | 84% | 0.839 | 77% | 0.771 | S | S | * | * | | | trans | -74.9 | 58.7 | 170.7 | 44.6 | 0 | 0 | 0 | 0 | 111.5 | | |
| 204 | K | 38.5 | Very low | 40.4 | Very low | 173 Ų | 173 | 134.9 Ų | 134.9 | 75% | 0.752 | 77% | 0.774 | S | S | * | * | | | trans | -130.8 | 52 | 174.9 | -156.4 | 177.7 | -178.5 | 176.8 | 0 | 113.1 | S202 T206 | S202-K204 PolarHBondContact O-N 3.25Å; K204-T206 PolarHBondContact O-N 2.95Å |
| 205 | C | 31.7 | Very low | 40.4 | Very low | 133 Ų | 133 | 135 Ų | 135 | 90% | 0.899 | 78% | 0.775 | S | S | * | * | | | trans | -67.7 | 114.1 | 150.9 | -151.5 | 0 | 0 | 0 | 0 | 107 | N207 | C205-N207 PolarHBondContact O-N 3.31Š|
| 206 | T | 35.8 | Very low | 39.7 | Very low | 105 Ų | 105 | 134.7 Ų | 134.7 | 64% | 0.644 | 77% | 0.774 | S | S | * | * | | | trans | -69.1 | 121.1 | -175.9 | 39.3 | 0 | 0 | 0 | 0 | 111 | K204 I208 | K204-T206 PolarHBondContact O-N 2.95Å; T206-I208 PolarHBondContact O-N 2.8Å |
| 207 | N | 40 | Very low | 40.2 | Very low | 136 Ų | 136 | 135.2 Ų | 135.2 | 73% | 0.727 | 77% | 0.773 | S | S | * | * | | | trans | -50.2 | 122.1 | 169.8 | 177.5 | -23.5 | 0 | 0 | 0 | 110.5 | C205 N209 | C205-N207 PolarHBondContact O-N 3.31Å; N207-N209 PolarHBondContact OD1-N 3.27Å |
| 208 | I | 38.8 | Very low | 39.9 | Very low | 157 Ų | 157 | 133.5 Ų | 133.5 | 81% | 0.805 | 76% | 0.764 | S | S | * | * | | | trans | -124.1 | 125.7 | 152.5 | -56 | 179.8 | 0 | 0 | 0 | 105.6 | T206 | T206-I208 PolarHBondContact O-N 2.8Š|
| 209 | N | 34.5 | Very low | 39.8 | Very low | 132 Ų | 132 | 133.6 Ų | 133.6 | 71% | 0.706 | 76% | 0.762 | S | S | * | * | | | trans | -43.1 | 151.6 | -165.1 | -64 | -55.6 | 0 | 0 | 0 | 116.9 | N207 D211 | N207-N209 PolarHBondContact OD1-N 3.27Å; N209-D211 PolarHBondContact O-N 2.84Å |
| 210 | S | 45.3 | Very low | 39.8 | Very low | 109 Ų | 109 | 132.8 Ų | 132.8 | 76% | 0.762 | 76% | 0.761 | S | S | * | * | | | trans | -42.5 | 122.3 | 160.7 | 52.1 | 0 | 0 | 0 | 0 | 113.6 | | |
| 211 | D | 35.8 | Very low | 40.8 | Very low | 158 Ų | 158 | 135.6 Ų | 135.6 | 85% | 0.845 | 76% | 0.764 | S | S | * | * | | | | -158.2 | 132 | 129.3 | -103.7 | -30.2 | 0 | 0 | 0 | 110.1 | N209 P213 | N209-D211 PolarHBondContact O-N 2.84Å; D211-P213 WeakPolarHBondContact O-CD 3.36Å |
| 212 | S | 35.7 | Very low | 41 | Very low | 123 Ų | 123 | 133.5 Ų | 133.5 | 86% | 0.86 | 77% | 0.766 | S | S | * | * | P | Polyproline II helix | trans | -101.8 | 118.9 | -178.8 | -77.1 | 0 | 0 | 0 | 0 | 112.2 | | |
| 213 | P | 40.7 | Very low | 42.2 | Very low | 115 Ų | 115 | 137 Ų | 137 | 75% | 0.747 | 77% | 0.77 | S | S | * | * | P | Polyproline II helix | trans | -95.8 | 122.7 | 151.8 | 32.5 | -27.9 | 0 | 0 | 0 | 110.4 | D211 | D211-P213 WeakPolarHBondContact O-CD 3.36Š|
| 214 | V | 45.8 | Very low | 43.5 | Very low | 153 Ų | 153 | 140.3 Ų | 140.3 | 93% | 0.927 | 77% | 0.769 | S | S | * | * | S | Bend | trans | -52.3 | 142.6 | 176.9 | 169.9 | 0 | 0 | 0 | 0 | 112.5 | | |
| 215 | G | 46.1 | Very low | 44.8 | Very low | 70 Ų | 70 | 137.5 Ų | 137.5 | 72% | 0.722 | 77% | 0.771 | S | S | * | * | | | trans | 98 | 56 | 151.6 | 0 | 0 | 0 | 0 | 0 | 117.6 | | |
| 216 | K | 39.9 | Very low | 46.5 | Very low | 197 Ų | 197 | 138.1 Ų | 138.1 | 86% | 0.857 | 77% | 0.766 | S | S | * | * | | | trans | -126 | 113.6 | 161.1 | -67.4 | -177.4 | -176.5 | 174.7 | 0 | 110.5 | L218 | K216-L218 PolarHBondContact O-N 3.14Š|
| 217 | K | 45.8 | Very low | 47.9 | Very low | 184 Ų | 184 | 137.5 Ų | 137.5 | 80% | 0.8 | 77% | 0.772 | S | S | * | * | | | trans | -63.2 | 104.7 | 177.2 | 176.9 | -174 | 173.5 | -178 | 0 | 109.3 | T219 | K217-T219 VanDerWaalsContact C-N 3.3Å; K217-T219 PolarHBondContact O-N 2.88Å; K217-T219 PolarHBondContact O-OG1 2.93Å |
| 218 | L | 42.5 | Very low | 49.1 | Very low | 147 Ų | 147 | 134.8 Ų | 134.8 | 77% | 0.77 | 77% | 0.768 | S | S | * | * | | | trans | -68.2 | 91.2 | 176.8 | -159.3 | 159.3 | 0 | 0 | 0 | 108.6 | K216 I220 | K216-L218 PolarHBondContact O-N 3.14Å; L218-I220 HydrophobicContact CD2-CG1 3.62Å; L218-I220 PolarHBondContact O-N 3.3Å; L218-I220 VanDerWaalsContact O-N 3.14Å |
| 219 | T | 41.2 | Very low | 50.4 | Low | 75 Ų | 75 | 132.1 Ų | 132.1 | 46% | 0.46 | 76% | 0.762 | S | S | . | * | | | trans | -81.9 | 95.9 | -179.5 | -56.8 | 0 | 0 | 0 | 0 | 107.1 | K217 H221 | K217-T219 VanDerWaalsContact C-N 3.3Å; K217-T219 PolarHBondContact O-N 2.88Å; K217-T219 PolarHBondContact O-OG1 2.93Å; T219-H221 VanDerWaalsContact C-N 3.26Å; T219-H221 PolarHBondContact O-CD2 2.89Å; T219-H221 PolarHBondContact O-N 3.49Å |
| 220 | I | 48.2 | Very low | 52.3 | Low | 148 Ų | 148 | 134.7 Ų | 134.7 | 76% | 0.759 | 77% | 0.77 | S | S | * | * | | | trans | -64.5 | 93.5 | 170.6 | -57 | 174.9 | 0 | 0 | 0 | 106.8 | L218 S222 | L218-I220 HydrophobicContact CD2-CG1 3.62Å; L218-I220 PolarHBondContact O-N 3.3Å; L218-I220 VanDerWaalsContact O-N 3.14Å; I220-S222 PolarHBondContact O-N 3.28Å |
| 221 | H | 48 | Very low | 53.9 | Low | 160 Ų | 160 | 134.9 Ų | 134.9 | 74% | 0.741 | 77% | 0.767 | S | S | * | * | | | trans | -69.3 | 102.1 | 168.7 | -80.4 | -91.1 | 0 | 0 | 0 | 107.1 | T219 E223 | T219-H221 VanDerWaalsContact C-N 3.26Å; T219-H221 PolarHBondContact O-CD2 2.89Å; T219-H221 PolarHBondContact O-N 3.49Å; H221-E223 VanDerWaalsContact C-N 3.3Å; H221-E223 PolarHBondContact O-N 3.45Å |
| 222 | S | 49.8 | Very low | 56.2 | Low | 100 Ų | 100 | 134.5 Ų | 134.5 | 70% | 0.699 | 76% | 0.764 | S | S | * | * | | | trans | -60.9 | 99 | 163.2 | 173.4 | 0 | 0 | 0 | 0 | 107.4 | I220 K224 | I220-S222 PolarHBondContact O-N 3.28Å; S222-K224 PolarHBondContact O-N 3.21Å |
| 223 | E | 59.4 | Low | 58.3 | Low | 181 Ų | 181 | 135.7 Ų | 135.7 | 85% | 0.846 | 76% | 0.76 | S | S | * | * | | | trans | -67.5 | 114.7 | 175.4 | -174.6 | 167.4 | -170.8 | 0 | 0 | 108.2 | H221 S225 | H221-E223 VanDerWaalsContact C-N 3.3Å; H221-E223 PolarHBondContact O-N 3.45Å; E223-S225 PolarHBondContact O-N 3.26Å |
| 224 | K | 69.7 | Low | 60.3 | Low | 191 Ų | 191 | 135.1 Ų | 135.1 | 83% | 0.83 | 76% | 0.758 | S | S | * | * | | | trans | -85.2 | 97.4 | 178.6 | -64.3 | -176.4 | 180 | -175.5 | 0 | 108 | S222 D226 | S222-K224 PolarHBondContact O-N 3.21Å; K224-D226 PolarHBondContact O-N 2.89Å |
| 225 | S | 67.2 | Low | 62.3 | Low | 113 Ų | 113 | 132.2 Ų | 132.2 | 79% | 0.79 | 74% | 0.737 | S | S | * | * | | | trans | -61.8 | 119.4 | 168.2 | 41.8 | 0 | 0 | 0 | 0 | 109.7 | E223 A227 | E223-S225 PolarHBondContact O-N 3.26Å; S225-A227 PolarHBondContact O-N 3.43Å |
| 226 | D | 66.7 | Low | 64.2 | Low | 146 Ų | 146 | 132.5 Ų | 132.5 | 78% | 0.781 | 73% | 0.726 | S | S | * | * | | | trans | -82.8 | 109.9 | 174.7 | -172.7 | 9.3 | 0 | 0 | 0 | 109.4 | K224 A228 | K224-D226 PolarHBondContact O-N 2.89Å; D226-A228 PolarHBondContact O-N 3.03Å |
| 227 | A | 64.4 | Low | 66.3 | Low | 93 Ų | 93 | 130.8 Ų | 130.8 | 77% | 0.769 | 73% | 0.732 | S | S | * | * | | | trans | -84.8 | 45.5 | -177.6 | 0 | 0 | 0 | 0 | 0 | 112.3 | S225 C229 | S225-A227 PolarHBondContact O-N 3.43Å; A227-C229 PolarHBondContact O-N 3.33Å |
| 228 | A | 66.5 | Low | 68.2 | Low | 79 Ų | 79 | 128.7 Ų | 128.7 | 65% | 0.653 | 73% | 0.729 | S | S | * | * | | | trans | -73.4 | 84.6 | -178.4 | 0 | 0 | 0 | 0 | 0 | 112 | D226 | D226-A228 PolarHBondContact O-N 3.03Š|
| 229 | C | 64.6 | Low | 70.3 | Confident | 100 Ų | 100 | 125.7 Ų | 125.7 | 68% | 0.676 | 71% | 0.71 | S | S | * | * | | | trans | -83.2 | 114.3 | 177.2 | 56.2 | 0 | 0 | 0 | 0 | 112.4 | A227 | A227-C229 PolarHBondContact O-N 3.33Š|
| 230 | Q | 76.1 | Confident | 72.4 | Confident | 186 Ų | 186 | 126.5 Ų | 126.5 | 87% | 0.869 | 71% | 0.712 | S | S | * | * | | | trans | -87.8 | 107.8 | 171.3 | -175.8 | 177.9 | 0.1 | 0 | 0 | 110.3 | L232 | Q230-L232 PolarHBondContact O-N 2.77Š|
| 231 | T | 77 | Confident | 74.1 | Confident | 114 Ų | 114 | 123.5 Ų | 123.5 | 70% | 0.699 | 70% | 0.697 | S | S | * | * | | | trans | -78.3 | 109.2 | 173.7 | 42.9 | 0 | 0 | 0 | 0 | 111.1 | L233 | T231-L233 PolarHBondContact O-N 2.81Š|
| 232 | L | 84.3 | Confident | 75.9 | Confident | 149 Ų | 149 | 122 Ų | 122 | 78% | 0.78 | 69% | 0.69 | S | S | * | * | | | trans | -82.4 | 106.1 | 172.7 | -170.4 | 150.3 | 0 | 0 | 0 | 109.6 | Q230 | Q230-L232 PolarHBondContact O-N 2.77Š|
| 233 | L | 80.1 | Confident | 77.5 | Confident | 149 Ų | 149 | 123.3 Ų | 123.3 | 78% | 0.78 | 69% | 0.689 | S | S | * | * | | | trans | -92.2 | 103.9 | 175.9 | -63.5 | 176.8 | 0 | 0 | 0 | 110.2 | T231 | T231-L233 PolarHBondContact O-N 2.81Š|
| 234 | S | 83.9 | Confident | 78.8 | Confident | 103 Ų | 103 | 118.5 Ų | 118.5 | 72% | 0.72 | 67% | 0.669 | S | S | * | * | | | trans | -86.3 | 110.8 | 169.7 | 56.9 | 0 | 0 | 0 | 0 | 110.4 | | |
| 235 | L | 86.2 | Confident | 79.5 | Confident | 91 Ų | 91 | 113 Ų | 113 | 48% | 0.476 | 65% | 0.648 | S | S | . | * | | | trans | -84.5 | 150 | 171.8 | -59.9 | 172.7 | 0 | 0 | 0 | 110.2 | F239 L241 | L235-F239 HydrophobicContact CB-CB 4.17Å; L235-F239 HydrophobicContact CB-CD1 4.1Å; L235-F239 HydrophobicContact CB-CG 4.32Å; L235-F239 HydrophobicContact CD1-CD1 3.9Å; L235-F239 HydrophobicContact CD1-CE1 4.24Å; L235-F239 HydrophobicContact CD2-CD1 3.94Å; L235-F239 HydrophobicContact CD2-CE1 3.95Å; L235-F239 HydrophobicContact CG-CD1 4.19Å; L235-L241 HydrophobicContact CD1-CD1 3.68Å; L235-L241 HydrophobicContact CD1-CD2 4.43Å; L235-L241 HydrophobicContact CD1-CG 4.05Å |
| 236 | P | 87.6 | Confident | 80.3 | Confident | 77 Ų | 77 | 108 Ų | 108 | 50% | 0.5 | 62% | 0.615 | S | S | . | * | | | trans | -54.8 | 150.6 | 170.3 | -24 | 31.8 | 0 | 0 | 0 | 112.5 | D238 F239 | P236-D238 VanDerWaalsContact CB-OD1 3.26Å; P236-D238 WeakPolarHBondContact CB-OD1 3.47Å; P236-D238 PolarHBondContact O-N 3.06Å; P236-F239 HydrophobicContact CB-CB 4.01Å; P236-F239 HydrophobicContact CG-CB 4.21Å; P236-F239 HydrophobicContact CG-CD2 4.47Å; P236-F239 WeakPolarHBondContact O-CB 3.35Å; P236-F239 PolarHBondContact O-N 3.17Å |
| 237 | V | 83.9 | Confident | 81 | Confident | 160 Ų | 160 | 106.8 Ų | 106.8 | 97% | 0.97 | 61% | 0.608 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -63.8 | -25.4 | -174.5 | 178.9 | 0 | 0 | 0 | 0 | 112.5 | | |
| 238 | D | 85.3 | Confident | 81.6 | Confident | 140 Ų | 140 | 111.7 Ų | 111.7 | 75% | 0.749 | 61% | 0.608 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -98 | 2.3 | 177.6 | 58.2 | -30.2 | 0 | 0 | 0 | 113.7 | P236 N240 | P236-D238 VanDerWaalsContact CB-OD1 3.26Å; P236-D238 WeakPolarHBondContact CB-OD1 3.47Å; P236-D238 PolarHBondContact O-N 3.06Å; D238-N240 PolarHBondContact O-N 3.33Å |
| 239 | F | 85.5 | Confident | 81.8 | Confident | 85 Ų | 85 | 115.7 Ų | 115.7 | 37% | 0.373 | 61% | 0.611 | S | S | . | * | | | trans | -74.8 | 89.3 | -176.1 | -169 | -93 | 0 | 0 | 0 | 112.2 | L235 P236 L241 I244 | L235-F239 HydrophobicContact CB-CB 4.17Å; L235-F239 HydrophobicContact CB-CD1 4.1Å; L235-F239 HydrophobicContact CB-CG 4.32Å; L235-F239 HydrophobicContact CD1-CD1 3.9Å; L235-F239 HydrophobicContact CD1-CE1 4.24Å; L235-F239 HydrophobicContact CD2-CD1 3.94Å; L235-F239 HydrophobicContact CD2-CE1 3.95Å; L235-F239 HydrophobicContact CG-CD1 4.19Å; P236-F239 HydrophobicContact CB-CB 4.01Å; P236-F239 HydrophobicContact CG-CB 4.21Å; P236-F239 HydrophobicContact CG-CD2 4.47Å; P236-F239 WeakPolarHBondContact O-CB 3.35Å; P236-F239 PolarHBondContact O-N 3.17Å; F239-L241 HydrophobicContact CD1-CD2 4.38Å; F239-L241 HydrophobicContact CD1-CG 4.05Å; F239-L241 HydrophobicContact CE1-CD2 3.75Å; F239-L241 HydrophobicContact CE1-CG 3.93Å; F239-L241 PolarHBondContact O-N 3.3Å; F239-I244 HydrophobicContact CD1-CD1 4.5Å; F239-I244 HydrophobicContact CD2-CD1 4.19Å; F239-I244 HydrophobicContact CE1-CD1 3.95Å; F239-I244 HydrophobicContact CE2-CD1 3.58Å; F239-I244 HydrophobicContact CZ-CD1 3.45Å; F239-I244 VanDerWaalsContact CZ-CD1 3.45Å |
| 240 | N | 85.3 | Confident | 82.3 | Confident | 91 Ų | 91 | 118.1 Ų | 118.1 | 49% | 0.487 | 61% | 0.606 | S | S | . | * | | | trans | -76.1 | 91.5 | 178.9 | -170.6 | -18.1 | 0 | 0 | 0 | 111.8 | D238 E242 N243 I244 | D238-N240 PolarHBondContact O-N 3.33Å; N240-E242 PolarHBondContact O-N 3.26Å; N240-E242 WeakPolarHBondContact OD1-CA 3.41Å; N240-E242 WeakPolarHBondContact OD1-CB 3.3Å; N240-E242 PolarHBondContact OD1-N 3.23Å; N240-N243 HydrophobicContact CB-CB 3.95Å; N240-N243 PolarHBondContact O-N 2.96Å; N240-N243 PolarHBondContact OD1-N 3.48Å; N240-I244 WeakPolarHBondContact O-CG1 3.23Å; N240-I244 PolarHBondContact O-N 2.62Å |
| 241 | L | 85.4 | Confident | 81.5 | Confident | 86 Ų | 86 | 113.7 Ų | 113.7 | 45% | 0.45 | 60% | 0.601 | S | S | . | * | H | α-helix | trans | -51.9 | -38.3 | 172 | -85.9 | 166.6 | 0 | 0 | 0 | 113.3 | L235 F239 I244 L245 | L235-L241 HydrophobicContact CD1-CD1 3.68Å; L235-L241 HydrophobicContact CD1-CD2 4.43Å; L235-L241 HydrophobicContact CD1-CG 4.05Å; F239-L241 HydrophobicContact CD1-CD2 4.38Å; F239-L241 HydrophobicContact CD1-CG 4.05Å; F239-L241 HydrophobicContact CE1-CD2 3.75Å; F239-L241 HydrophobicContact CE1-CG 3.93Å; F239-L241 PolarHBondContact O-N 3.3Å; L241-I244 PolarHBondContact O-N 2.79Å; L241-L245 HydrophobicContact CD2-CD1 3.9Å; L241-L245 WeakPolarHBondContact O-CB 3.33Å; L241-L245 PolarHBondContact O-N 3.32Å |
| 242 | E | 85.2 | Confident | 80.4 | Confident | 127 Ų | 127 | 113.4 Ų | 113.4 | 59% | 0.593 | 60% | 0.596 | S | S | * | * | H | α-helix | trans | -70.8 | -34.7 | -178.9 | -168.1 | -178.2 | 167.9 | 0 | 0 | 111.7 | N240 I244 G246 R250 | N240-E242 PolarHBondContact O-N 3.26Å; N240-E242 WeakPolarHBondContact OD1-CA 3.41Å; N240-E242 WeakPolarHBondContact OD1-CB 3.3Å; N240-E242 PolarHBondContact OD1-N 3.23Å; E242-I244 VanDerWaalsContact C-N 3.26Å; E242-I244 PolarHBondContact O-N 2.96Å; E242-G246 WeakPolarHBondContact O-CA 3.16Å; E242-G246 PolarHBondContact O-N 3.01Å; E242-R250 IonicContact OE1-NH1 3.91Å |
| 243 | N | 83.9 | Confident | 79.1 | Confident | 128 Ų | 128 | 114.8 Ų | 114.8 | 68% | 0.684 | 60% | 0.598 | S | S | * | * | H | α-helix | trans | -70.1 | -22.9 | 174.1 | -171.4 | 82.4 | 0 | 0 | 0 | 113.1 | N240 | N240-N243 HydrophobicContact CB-CB 3.95Å; N240-N243 PolarHBondContact O-N 2.96Å; N240-N243 PolarHBondContact OD1-N 3.48Å |
| 244 | I | 85.5 | Confident | 77.8 | Confident | 80 Ų | 80 | 116.9 Ų | 116.9 | 41% | 0.41 | 60% | 0.601 | S | S | . | * | H | α-helix | trans | -93.5 | -37.2 | -179.1 | -62.9 | 167.2 | 0 | 0 | 0 | 111.5 | F239 N240 L241 E242 | F239-I244 HydrophobicContact CD1-CD1 4.5Å; F239-I244 HydrophobicContact CD2-CD1 4.19Å; F239-I244 HydrophobicContact CE1-CD1 3.95Å; F239-I244 HydrophobicContact CE2-CD1 3.58Å; F239-I244 HydrophobicContact CZ-CD1 3.45Å; F239-I244 VanDerWaalsContact CZ-CD1 3.45Å; N240-I244 WeakPolarHBondContact O-CG1 3.23Å; N240-I244 PolarHBondContact O-N 2.62Å; L241-I244 PolarHBondContact O-N 2.79Å; E242-I244 VanDerWaalsContact C-N 3.26Å; E242-I244 PolarHBondContact O-N 2.96Å |
| 245 | L | 84.8 | Confident | 76.2 | Confident | 75 Ų | 75 | 115.7 Ų | 115.7 | 39% | 0.393 | 60% | 0.597 | S | S | . | * | H | α-helix | trans | -114.9 | -21.3 | -172.3 | -61.2 | 178.8 | 0 | 0 | 0 | 113.9 | L241 D247 Y248 F249 | L241-L245 HydrophobicContact CD2-CD1 3.9Å; L241-L245 WeakPolarHBondContact O-CB 3.33Å; L241-L245 PolarHBondContact O-N 3.32Å; L245-D247 VanDerWaalsContact C-N 3.27Å; L245-D247 PolarHBondContact O-N 3.06Å; L245-Y248 CarbonylContact O-C 3.58Å; L245-Y248 WeakPolarHBondContact O-CA 3.49Å; L245-Y248 WeakPolarHBondContact O-CB 3.41Å; L245-Y248 PolarHBondContact O-N 2.82Å; L245-F249 HydrophobicContact CB-CD2 4.07Å; L245-F249 HydrophobicContact CB-CE2 4.47Å; L245-F249 WeakPolarHBondContact O-CD2 3.4Å; L245-F249 PolarHBondContact O-N 2.75Å |
| 246 | G | 84.8 | Confident | 74.5 | Confident | 10 Ų | 10 | 118 Ų | 118 | 10% | 0.103 | 61% | 0.61 | C | S | . | * | T | Hydrogen-bonded Turn | trans | -60.2 | -33 | -171.5 | 0 | 0 | 0 | 0 | 0 | 113.9 | E242 Y248 F249 R250 | E242-G246 WeakPolarHBondContact O-CA 3.16Å; E242-G246 PolarHBondContact O-N 3.01Å; G246-Y248 VanDerWaalsContact C-N 3.35Å; G246-F249 CarbonylContact O-C 3.4Å; G246-F249 PolarHBondContact O-N 2.75Å; G246-R250 VanDerWaalsContact O-CD 3.24Å; G246-R250 WeakPolarHBondContact O-CD 3.34Å; G246-R250 VanDerWaalsContact O-CG 3.31Å; G246-R250 WeakPolarHBondContact O-CG 3.49Å; G246-R250 PolarHBondContact O-N 2.87Å; G246-R250 PolarHBondContact O-NE 3.15Å |
| 247 | D | 81.8 | Confident | 72.7 | Confident | 120 Ų | 120 | 123.1 Ų | 123.1 | 64% | 0.642 | 63% | 0.627 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -73.9 | -25.8 | 176.4 | -68.1 | -12 | 0 | 0 | 0 | 113 | L245 R250 | L245-D247 VanDerWaalsContact C-N 3.27Å; L245-D247 PolarHBondContact O-N 3.06Å; D247-R250 IonicContact OD1-CZ 3.81Å; D247-R250 IonicContact OD1-NE 2.9Å; D247-R250 PolarHBondContact OD1-NE 3.13Å; D247-R250 IonicContact OD1-NH2 3.57Å; D247-R250 PolarHBondContact OD1-NH2 3.3Å |
| 248 | Y | 76.7 | Confident | 70.6 | Confident | 196 Ų | 196 | 120.3 Ų | 120.3 | 77% | 0.769 | 62% | 0.615 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -83.8 | -17.8 | 171.1 | -57.7 | -81.3 | 0 | 0 | 0 | 113 | L245 G246 | L245-Y248 CarbonylContact O-C 3.58Å; L245-Y248 WeakPolarHBondContact O-CA 3.49Å; L245-Y248 WeakPolarHBondContact O-CB 3.41Å; L245-Y248 PolarHBondContact O-N 2.82Å; G246-Y248 VanDerWaalsContact C-N 3.35Å |
| 249 | F | 70.6 | Confident | 68.8 | Low | 163 Ų | 163 | 120.6 Ų | 120.6 | 72% | 0.715 | 62% | 0.624 | S | S | * | * | S | Bend | trans | -111.6 | 17.8 | -179.4 | -80.8 | -87.7 | 0 | 0 | 0 | 113.4 | L245 G246 A251 | L245-F249 HydrophobicContact CB-CD2 4.07Å; L245-F249 HydrophobicContact CB-CE2 4.47Å; L245-F249 WeakPolarHBondContact O-CD2 3.4Å; L245-F249 PolarHBondContact O-N 2.75Å; G246-F249 CarbonylContact O-C 3.4Å; G246-F249 PolarHBondContact O-N 2.75Å; F249-A251 PolarHBondContact O-N 3.4Å; F249-A251 VanDerWaalsContact O-N 3.11Å |
| 250 | R | 74 | Confident | 67.1 | Low | 150 Ų | 150 | 118.9 Ų | 118.9 | 57% | 0.566 | 63% | 0.631 | S | S | * | * | | | trans | -62.6 | 114.7 | 165.4 | -58.9 | -56.1 | 175.5 | -161.2 | -10.1 | 108.5 | E242 G246 D247 D252 | E242-R250 IonicContact OE1-NH1 3.91Å; G246-R250 VanDerWaalsContact O-CD 3.24Å; G246-R250 WeakPolarHBondContact O-CD 3.34Å; G246-R250 VanDerWaalsContact O-CG 3.31Å; G246-R250 WeakPolarHBondContact O-CG 3.49Å; G246-R250 PolarHBondContact O-N 2.87Å; G246-R250 PolarHBondContact O-NE 3.15Å; D247-R250 IonicContact OD1-CZ 3.81Å; D247-R250 IonicContact OD1-NE 2.9Å; D247-R250 PolarHBondContact OD1-NE 3.13Å; D247-R250 IonicContact OD1-NH2 3.57Å; D247-R250 PolarHBondContact OD1-NH2 3.3Å; R250-D252 PolarHBondContact O-N 3.2Å |
| 251 | A | 59.3 | Low | 65.2 | Low | 93 Ų | 93 | 121.8 Ų | 121.8 | 77% | 0.769 | 65% | 0.647 | S | S | * | * | | | trans | -65.1 | 114.8 | 162.8 | 0 | 0 | 0 | 0 | 0 | 107.4 | F249 E253 | F249-A251 PolarHBondContact O-N 3.4Å; F249-A251 VanDerWaalsContact O-N 3.11Å; A251-E253 PolarHBondContact O-N 3.41Å |
| 252 | D | 54.9 | Low | 63.3 | Low | 108 Ų | 108 | 126.6 Ų | 126.6 | 58% | 0.578 | 67% | 0.672 | S | S | * | * | | | trans | -67.9 | 101.8 | 173.6 | -177.5 | 15 | 0 | 0 | 0 | 108.7 | R250 F254 A255 | R250-D252 PolarHBondContact O-N 3.2Å; D252-F254 PolarHBondContact O-N 3.05Å; D252-F254 WeakPolarHBondContact OD1-CD2 3.48Å; D252-A255 VanDerWaalsContact O-CB 3.27Å; D252-A255 WeakPolarHBondContact O-CB 3.4Å; D252-A255 PolarHBondContact O-N 3.24Å |
| 253 | E | 56.8 | Low | 61.4 | Low | 179 Ų | 179 | 124 Ų | 124 | 84% | 0.836 | 67% | 0.668 | S | S | * | * | G | 310 helix | trans | -67.2 | -7.9 | -170.3 | -154.7 | 166.5 | -158.5 | 0 | 0 | 112.6 | A251 A255 | A251-E253 PolarHBondContact O-N 3.41Å; E253-A255 VanDerWaalsContact C-N 3.32Å |
| 254 | F | 51.9 | Low | 59.5 | Low | 193 Ų | 193 | 124.1 Ų | 124.1 | 85% | 0.846 | 68% | 0.679 | S | S | * | * | G | 310 helix | trans | -79.8 | -6.3 | 170.1 | -60.4 | -65 | 0 | 0 | 0 | 114.4 | D252 D256 | D252-F254 PolarHBondContact O-N 3.05Å; D252-F254 WeakPolarHBondContact OD1-CD2 3.48Å; F254-D256 VanDerWaalsContact C-N 3.25Å; F254-D256 PolarHBondContact O-N 3.3Å |
| 255 | A | 51.2 | Low | 57.6 | Low | 77 Ų | 77 | 124.9 Ų | 124.9 | 64% | 0.636 | 69% | 0.691 | S | S | * | * | G | 310 helix | trans | -75.6 | -4.8 | -180 | 0 | 0 | 0 | 0 | 0 | 114.9 | D252 E253 Q257 | D252-A255 VanDerWaalsContact O-CB 3.27Å; D252-A255 WeakPolarHBondContact O-CB 3.4Å; D252-A255 PolarHBondContact O-N 3.24Å; E253-A255 VanDerWaalsContact C-N 3.32Å; A255-Q257 PolarHBondContact O-N 3.42Å |
| 256 | D | 50.6 | Low | 56 | Low | 140 Ų | 140 | 125.5 Ų | 125.5 | 75% | 0.749 | 70% | 0.702 | S | S | * | * | | | trans | -80.5 | 48.1 | -166.6 | -159.3 | 35.3 | 0 | 0 | 0 | 115 | F254 | F254-D256 VanDerWaalsContact C-N 3.25Å; F254-D256 PolarHBondContact O-N 3.3Å |
| 257 | Q | 50.3 | Low | 54.3 | Low | 184 Ų | 184 | 133.4 Ų | 133.4 | 86% | 0.86 | 74% | 0.741 | S | S | * | * | S | Bend | trans | -142.3 | 39.6 | 173.5 | -72.2 | -58.6 | -51.3 | 0 | 0 | 113.8 | A255 | A255-Q257 PolarHBondContact O-N 3.42Š|
| 258 | S | 39.6 | Very low | 53.2 | Low | 102 Ų | 102 | 139 Ų | 139 | 71% | 0.713 | 75% | 0.753 | S | S | * | * | | | trans | -153.6 | 95.1 | 166.2 | -168.3 | 0 | 0 | 0 | 0 | 114.4 | G260 | S258-G260 VanDerWaalsContact C-N 3.33Å; S258-G260 PolarHBondContact O-N 3.36Å |
| 259 | P | 47.7 | Very low | 52.5 | Low | 145 Ų | 145 | 140.6 Ų | 140.6 | 94% | 0.942 | 76% | 0.757 | S | S | * | * | | | trans | -81.4 | 73.3 | 178.5 | 33.9 | -35.3 | 0 | 0 | 0 | 112 | | |
| 260 | G | 48.9 | Very low | 51.9 | Low | 50 Ų | 50 | 141.9 Ų | 141.9 | 52% | 0.515 | 76% | 0.763 | S | S | . | * | | | trans | 153.9 | 98.4 | 161.3 | 0 | 0 | 0 | 0 | 0 | 117.1 | S258 | S258-G260 VanDerWaalsContact C-N 3.33Å; S258-G260 PolarHBondContact O-N 3.36Å |
| 261 | N | 44.8 | Very low | 51.1 | Low | 152 Ų | 152 | 142 Ų | 142 | 81% | 0.813 | 77% | 0.774 | S | S | * | * | | | trans | -175 | 51.6 | 130.9 | -99.9 | -51 | 0 | 0 | 0 | 113.5 | S263 | N261-S263 PolarHBondContact O-N 3.18Š|
| 262 | L | 45.7 | Very low | 50.8 | Low | 186 Ų | 186 | 146.4 Ų | 146.4 | 97% | 0.974 | 78% | 0.776 | S | S | * | * | | | trans | -77.5 | 48.1 | 163.6 | -63 | -176.3 | 0 | 0 | 0 | 111.6 | S264 | L262-S264 PolarHBondContact O-N 3.31Š|
| 263 | S | 45.4 | Very low | 50.6 | Low | 74 Ų | 74 | 149.3 Ų | 149.3 | 52% | 0.517 | 79% | 0.791 | S | S | . | * | | | trans | -78.4 | 110.3 | 171.4 | -179.9 | 0 | 0 | 0 | 0 | 108.5 | N261 S265 | N261-S263 PolarHBondContact O-N 3.18Å; S263-S265 VanDerWaalsContact C-N 3.28Å; S263-S265 PolarHBondContact O-N 3.25Å; S263-S265 PolarHBondContact O-OG 2.67Å |
| 264 | S | 44.7 | Very low | 50.1 | Low | 130 Ų | 130 | 147.9 Ų | 147.9 | 91% | 0.909 | 79% | 0.789 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -69.6 | 72.6 | -170.6 | 58.2 | 0 | 0 | 0 | 0 | 113.5 | L262 | L262-S264 PolarHBondContact O-N 3.31Š|
| 265 | S | 46.1 | Very low | 49.9 | Very low | 95 Ų | 95 | 142.4 Ų | 142.4 | 66% | 0.664 | 79% | 0.787 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -152.1 | -2.1 | -177 | 58.4 | 0 | 0 | 0 | 0 | 115.8 | S263 | S263-S265 VanDerWaalsContact C-N 3.28Å; S263-S265 PolarHBondContact O-N 3.25Å; S263-S265 PolarHBondContact O-OG 2.67Å |
| 266 | S | 50.5 | Low | 49.4 | Very low | 88 Ų | 88 | 145.2 Ų | 145.2 | 62% | 0.615 | 79% | 0.791 | S | S | * | * | G | 310 helix | trans | -88 | 1.3 | -169.5 | 59.3 | 0 | 0 | 0 | 0 | 116.2 | R268 R269 | S266-R268 PolarHBondContact O-N 2.69Å; S266-R269 PolarHBondContact O-N 3.39Å |
| 267 | L | 49.9 | Very low | 49 | Very low | 177 Ų | 177 | 141.9 Ų | 141.9 | 93% | 0.927 | 79% | 0.789 | S | S | * | * | G | 310 helix | trans | -57.4 | -18.1 | -177 | -160.8 | 71 | 0 | 0 | 0 | 114.1 | | |
| 268 | R | 57.8 | Low | 48.4 | Very low | 238 Ų | 238 | 138 Ų | 138 | 90% | 0.898 | 78% | 0.782 | S | S | * | * | G | 310 helix | trans | -93.8 | 9.2 | 175 | -63.6 | -172.2 | 177.9 | -167.5 | -0.9 | 114.9 | S266 | S266-R268 PolarHBondContact O-N 2.69Š|
| 269 | R | 61.3 | Low | 48.4 | Very low | 229 Ų | 229 | 140.3 Ų | 140.3 | 86% | 0.864 | 79% | 0.786 | S | S | * | * | S | Bend | trans | -136.7 | 47.4 | -175.3 | -64.7 | -169.2 | -174.5 | 168.1 | 2.5 | 114.2 | S266 | S266-R269 PolarHBondContact O-N 3.39Š|
| 270 | K | 59.6 | Low | 47.8 | Very low | 189 Ų | 189 | 138 Ų | 138 | 82% | 0.822 | 77% | 0.773 | S | S | * | * | | | trans | -147.4 | 47.9 | 162.1 | -153.7 | 179.3 | -180 | -177.1 | 0 | 112.5 | | |
| 271 | L | 57.3 | Low | 47.2 | Very low | 154 Ų | 154 | 143.2 Ų | 143.2 | 81% | 0.806 | 79% | 0.789 | S | S | * | * | S | Bend | trans | -99.7 | 4.3 | 170.2 | -67.9 | 178.7 | 0 | 0 | 0 | 113 | | |
| 272 | F | 52.4 | Low | 46.6 | Very low | 184 Ų | 184 | 141.6 Ų | 141.6 | 81% | 0.807 | 79% | 0.789 | S | S | * | * | S | Bend | trans | -122.1 | 138 | 170.2 | -55.9 | -68 | 0 | 0 | 0 | 108.3 | | |
| 273 | L | 49.6 | Very low | 46 | Very low | 170 Ų | 170 | 140.4 Ų | 140.4 | 89% | 0.89 | 78% | 0.783 | S | S | * | * | | | trans | -75.3 | 124.4 | 162.2 | -67.1 | 164.3 | 0 | 0 | 0 | 106.7 | G275 | L273-G275 PolarHBondContact O-N 3.32Å; L273-G275 VanDerWaalsContact O-N 3.11Å |
| 274 | D | 47.4 | Very low | 46 | Very low | 149 Ų | 149 | 143 Ų | 143 | 80% | 0.797 | 80% | 0.798 | S | S | * | * | | | trans | -64.3 | 114.9 | 170.8 | -87.9 | -38.6 | 0 | 0 | 0 | 108.6 | N276 | D274-N276 PolarHBondContact O-N 2.88Š|
| 275 | G | 48.1 | Very low | 45.2 | Very low | 78 Ų | 78 | 142.4 Ų | 142.4 | 80% | 0.804 | 79% | 0.794 | S | S | * | * | | | trans | -73.2 | 40.2 | -172.9 | 0 | 0 | 0 | 0 | 0 | 114.4 | L273 G277 | L273-G275 PolarHBondContact O-N 3.32Å; L273-G275 VanDerWaalsContact O-N 3.11Å; G275-G277 VanDerWaalsContact C-N 3.28Å; G275-G277 PolarHBondContact O-N 3.48Å |
| 276 | N | 40.8 | Very low | 44.4 | Very low | 136 Ų | 136 | 142.3 Ų | 142.3 | 73% | 0.727 | 80% | 0.799 | S | S | * | * | | | trans | -95.1 | 43.4 | -178.2 | -73.5 | 90 | 0 | 0 | 0 | 112.4 | D274 S278 | D274-N276 PolarHBondContact O-N 2.88Å; N276-S278 PolarHBondContact O-N 2.91Å |
| 277 | G | 41.9 | Very low | 43.4 | Very low | 69 Ų | 69 | 143.4 Ų | 143.4 | 71% | 0.711 | 81% | 0.807 | S | S | * | * | | | trans | -69.2 | 69.3 | 166.6 | 0 | 0 | 0 | 0 | 0 | 111.4 | G275 I279 | G275-G277 VanDerWaalsContact C-N 3.28Å; G275-G277 PolarHBondContact O-N 3.48Å; G277-I279 VanDerWaalsContact C-N 3.26Å; G277-I279 PolarHBondContact O-N 2.89Å |
| 278 | S | 36.3 | Very low | 43.4 | Very low | 102 Ų | 102 | 140.7 Ų | 140.7 | 71% | 0.713 | 80% | 0.8 | S | S | * | * | | | trans | -73.5 | 79.6 | 176.1 | -173.5 | 0 | 0 | 0 | 0 | 110.2 | N276 S280 | N276-S278 PolarHBondContact O-N 2.91Å; S278-S280 PolarHBondContact O-N 3.31Å |
| 279 | I | 40.9 | Very low | 42 | Very low | 152 Ų | 152 | 133.1 Ų | 133.1 | 78% | 0.779 | 80% | 0.796 | S | S | * | * | | | trans | -54 | 133.7 | 166.1 | 54.7 | 173.2 | 0 | 0 | 0 | 109.6 | G277 | G277-I279 VanDerWaalsContact C-N 3.26Å; G277-I279 PolarHBondContact O-N 2.89Å |
| 280 | S | 34.7 | Very low | 40.6 | Very low | 97 Ų | 97 | 128 Ų | 128 | 68% | 0.678 | 80% | 0.795 | S | S | * | * | | | trans | -151.5 | 98.8 | 176.8 | -73.7 | 0 | 0 | 0 | 0 | 108.3 | S278 S282 | S278-S280 PolarHBondContact O-N 3.31Å; S280-S282 PolarHBondContact O-N 3.46Å |
| 281 | D | 35.6 | Very low | 39.9 | Very low | 159 Ų | 159 | 123.5 Ų | 123.5 | 85% | 0.85 | 79% | 0.785 | S | S | * | * | | | trans | -63 | 122.8 | -175.2 | -61.2 | -78.7 | 0 | 0 | 0 | 112.1 | | |
| 282 | S | 32.7 | Very low | 38.7 | Very low | 117 Ų | 117 | 124.9 Ų | 124.9 | 82% | 0.818 | 79% | 0.787 | S | S | * | * | | | trans | -141.3 | 110.8 | 160 | 50.4 | 0 | 0 | 0 | 0 | 109.1 | S280 | S280-S282 PolarHBondContact O-N 3.46Š|
| 283 | L | 33.1 | Very low | 37.6 | Very low | 161 Ų | 161 | 121.5 Ų | 121.5 | 84% | 0.843 | 79% | 0.786 | S | S | * | * | | | trans | -71.8 | 150.2 | -175.1 | -71.3 | 169.3 | 0 | 0 | 0 | 111.7 | | |
| 284 | P | 44.9 | Very low | 36.6 | Very low | 129 Ų | 129 | 116.4 Ų | 116.4 | 84% | 0.838 | 78% | 0.775 | S | S | * | * | | | trans | -70.2 | 144.6 | -178 | 29.6 | -35.8 | 0 | 0 | 0 | 112 | | |
| 285 | S | 29.1 | Very low | 35.8 | Very low | 118 Ų | 118 | 115.8 Ų | 115.8 | 83% | 0.825 | 78% | 0.776 | S | S | * | * | | | trans | -128.7 | 140.7 | 174.9 | -166.4 | 0 | 0 | 0 | 0 | 112.7 | | |
| 286 | A | 28.7 | Very low | 35.2 | Very low | 93 Ų | 93 | 120 Ų | 120 | 77% | 0.769 | 78% | 0.775 | S | S | * | * | | | trans | -35.6 | 157.2 | 173.3 | 0 | 0 | 0 | 0 | 0 | 118.1 | | |
| 287 | S | 30.4 | Very low | 34.6 | Very low | 110 Ų | 110 | 119.3 Ų | 119.3 | 77% | 0.769 | 78% | 0.775 | S | S | * | * | | | cis | -161.7 | -129.6 | -12.8 | -172.9 | 0 | 0 | 0 | 0 | 110.8 | | |
| 288 | P | 48.6 | Very low | 34.3 | Very low | 121 Ų | 121 | 121.2 Ų | 121.2 | 79% | 0.786 | 78% | 0.778 | S | S | * | * | | | trans | -127.3 | 172 | -130.7 | 42.1 | -23.6 | 0 | 0 | 0 | 117.7 | | |
| 289 | G | 28.2 | Very low | 34.3 | Very low | 79 Ų | 79 | 123.9 Ų | 123.9 | 81% | 0.814 | 78% | 0.784 | S | S | * | * | | | trans | 102.3 | 160.3 | 169.4 | 0 | 0 | 0 | 0 | 0 | 114.2 | | |
| 290 | S | 32.3 | Very low | 33.8 | Very low | 121 Ų | 121 | 123.7 Ų | 123.7 | 85% | 0.846 | 78% | 0.779 | S | S | * | * | | | cis | -152.8 | 179 | 6 | 86.7 | 0 | 0 | 0 | 0 | 110.1 | | |
| 291 | P | 46 | Very low | 33.8 | Very low | 94 Ų | 94 | 127.9 Ų | 127.9 | 61% | 0.61 | 79% | 0.79 | S | S | * | * | | | trans | -119.1 | -173.1 | -147.7 | 34.4 | -17.8 | 0 | 0 | 0 | 118 | | |
| 292 | H | 30.5 | Very low | 33.7 | Very low | 183 Ų | 183 | 126.7 Ų | 126.7 | 85% | 0.847 | 78% | 0.778 | S | S | * | * | | | trans | 74.1 | 156.8 | 178.5 | -41.3 | -73.6 | 0 | 0 | 0 | 114.2 | | |
| 293 | S | 29.6 | Very low | 33.6 | Very low | 113 Ų | 113 | 132.3 Ų | 132.3 | 79% | 0.79 | 78% | 0.783 | S | S | * | * | | | cis | -143.5 | 159.1 | -1.1 | -175 | 0 | 0 | 0 | 0 | 106.1 | | |
| 294 | G | 28.5 | Very low | 33.6 | Very low | 63 Ų | 63 | 129.3 Ų | 129.3 | 65% | 0.649 | 78% | 0.776 | S | S | * | * | | | cis | 98.9 | 122.3 | 27.9 | 0 | 0 | 0 | 0 | 0 | 111.1 | | |
| 295 | V | 31.8 | Very low | 33.5 | Very low | 136 Ų | 136 | 130.7 Ų | 130.7 | 82% | 0.824 | 77% | 0.774 | S | S | * | * | | | trans | 91.2 | 96.6 | 171.3 | -168.8 | 0 | 0 | 0 | 0 | 119.5 | | |
| 296 | Q | 34.2 | Very low | 33.6 | Very low | 167 Ų | 167 | 132.2 Ų | 132.2 | 78% | 0.78 | 77% | 0.773 | S | S | * | * | | | | 43.9 | 139.6 | 128 | -60.8 | -170.5 | -5.9 | 0 | 0 | 125.8 | | |
| 297 | T | 29.6 | Very low | 34 | Very low | 121 Ų | 121 | 134.7 Ų | 134.7 | 74% | 0.742 | 77% | 0.773 | S | S | * | * | | | trans | 88.4 | 136.9 | 134.4 | 41.2 | 0 | 0 | 0 | 0 | 124.9 | | |
| 298 | S | 35.4 | Very low | 34.2 | Very low | 110 Ų | 110 | 134.6 Ų | 134.6 | 77% | 0.769 | 77% | 0.772 | S | S | * | * | | | trans | 61.6 | 104.1 | 147 | 61.7 | 0 | 0 | 0 | 0 | 121.9 | | |
| 299 | L | 36.2 | Very low | 34 | Very low | 158 Ų | 158 | 134.4 Ų | 134.4 | 83% | 0.827 | 77% | 0.771 | S | S | * | * | | | | -168.4 | 95.2 | 114.9 | -164.3 | 72.4 | 0 | 0 | 0 | 107.8 | | |
| 300 | E | 30.7 | Very low | 34.3 | Very low | 148 Ų | 148 | 136.7 Ų | 136.7 | 69% | 0.692 | 77% | 0.769 | S | S | * | * | | | | 53.2 | 87.7 | 87.9 | -162.6 | 176.3 | -177.2 | 0 | 0 | 114.9 | F302 | E300-F302 HydrophobicContact CG-CD2 4.06Å; E300-F302 HydrophobicContact CG-CE2 3.9Å |
| 301 | M | 33.3 | Very low | 34.1 | Very low | 184 Ų | 184 | 140.3 Ų | 140.3 | 91% | 0.906 | 77% | 0.769 | S | S | * | * | | | trans | -141.1 | 104.7 | 146.9 | -177.3 | 161.7 | -75.6 | 0 | 0 | 109.2 | | |
| 302 | F | 33 | Very low | 33.2 | Very low | 135 Ų | 135 | 142.1 Ų | 142.1 | 59% | 0.592 | 78% | 0.783 | S | S | * | * | | | trans | -60.1 | 152.5 | 163.7 | -68.1 | -85.5 | 0 | 0 | 0 | 109 | E300 | E300-F302 HydrophobicContact CG-CD2 4.06Å; E300-F302 HydrophobicContact CG-CE2 3.9Å |
| 303 | Y | 31.2 | Very low | 33.1 | Very low | 234 Ų | 234 | 144.9 Ų | 144.9 | 92% | 0.918 | 79% | 0.786 | S | S | * | * | | | | -141.2 | 156.7 | 59.8 | -76.3 | -84.6 | 0 | 0 | 0 | 115.3 | | |
| 304 | S | 33 | Very low | 33 | Very low | 99 Ų | 99 | 144.6 Ų | 144.6 | 69% | 0.692 | 78% | 0.784 | S | S | * | * | | | trans | -79.2 | 153.8 | -170.3 | -44.3 | 0 | 0 | 0 | 0 | 114.8 | | |
| 305 | I | 43.8 | Very low | 33.5 | Very low | 157 Ų | 157 | 147 Ų | 147 | 81% | 0.805 | 79% | 0.788 | S | S | * | * | | | trans | -66.1 | 141.6 | 148.7 | -59.7 | 160.3 | 0 | 0 | 0 | 108 | L307 | I305-L307 HydrophobicContact CG2-CD1 4.49Š|
| 306 | D | 30.3 | Very low | 33.4 | Very low | 150 Ų | 150 | 147.8 Ų | 147.8 | 80% | 0.802 | 79% | 0.787 | S | S | * | * | | | trans | -152.4 | 165.4 | 151.9 | -139.6 | -29.2 | 0 | 0 | 0 | 112.4 | | |
| 307 | L | 37.2 | Very low | 33.2 | Very low | 145 Ų | 145 | 148.3 Ų | 148.3 | 76% | 0.759 | 79% | 0.789 | S | S | * | * | | | trans | -101 | 168.7 | -159.1 | -77 | 78 | 0 | 0 | 0 | 115.6 | I305 | I305-L307 HydrophobicContact CG2-CD1 4.49Š|
| 308 | S | 35.2 | Very low | 33.4 | Very low | 109 Ų | 109 | 148.5 Ų | 148.5 | 76% | 0.762 | 79% | 0.791 | S | S | * | * | | | trans | -57.5 | 151.8 | 175.8 | -180 | 0 | 0 | 0 | 0 | 114.4 | V310 | S308-V310 PolarHBondContact OG-N 2.89Š|
| 309 | P | 43.2 | Very low | 33.7 | Very low | 116 Ų | 116 | 148.9 Ų | 148.9 | 75% | 0.753 | 79% | 0.79 | S | S | * | * | | | | -138.4 | 122.4 | 122.6 | 35.3 | -23.1 | 0 | 0 | 0 | 116.3 | | |
| 310 | V | 35.1 | Very low | 33.5 | Very low | 128 Ų | 128 | 146.8 Ų | 146.8 | 78% | 0.776 | 79% | 0.789 | S | S | * | * | | | trans | 19.3 | 126.5 | 140.5 | -151 | 0 | 0 | 0 | 0 | 119.6 | S308 | S308-V310 PolarHBondContact OG-N 2.89Š|
| 311 | K | 29.4 | Very low | 33.7 | Very low | 196 Ų | 196 | 145.8 Ų | 145.8 | 85% | 0.852 | 80% | 0.798 | S | S | * | * | | | | 139 | 110.4 | 115.1 | -162 | 171 | -166.7 | 170.8 | 0 | 115.3 | | |
| 312 | C | 26.6 | Very low | 33.9 | Very low | 133 Ų | 133 | 139.9 Ų | 139.9 | 90% | 0.899 | 78% | 0.784 | S | S | * | * | | | trans | -156.7 | 164 | 144.1 | -136.4 | 0 | 0 | 0 | 0 | 113.3 | | |
| 313 | R | 27.5 | Very low | 34.2 | Very low | 240 Ų | 240 | 142.5 Ų | 142.5 | 91% | 0.906 | 80% | 0.798 | S | S | * | * | | | trans | -67.7 | 150.1 | -170.8 | -84.4 | 176.5 | 167.3 | 152.9 | -7.1 | 114.8 | | |
| 314 | S | 28 | Very low | 34.1 | Very low | 108 Ų | 108 | 141.4 Ų | 141.4 | 76% | 0.755 | 80% | 0.799 | S | S | * | * | | | trans | -78.6 | 159.5 | 150.7 | 60.5 | 0 | 0 | 0 | 0 | 110.5 | | |
| 315 | P | 38.2 | Very low | 34.4 | Very low | 113 Ų | 113 | 142.3 Ų | 142.3 | 73% | 0.734 | 81% | 0.805 | S | S | * | * | | | | -146.2 | 161.8 | 88.1 | 39 | -23.3 | 0 | 0 | 0 | 116.4 | | |
| 316 | L | 30.2 | Very low | 33.8 | Very low | 153 Ų | 153 | 140 Ų | 140 | 80% | 0.801 | 80% | 0.803 | S | S | * | * | | | trans | 71.4 | 124.7 | 154.3 | -103.1 | 69.2 | 0 | 0 | 0 | 122 | | |
| 317 | Q | 30.8 | Very low | 34 | Very low | 177 Ų | 177 | 137.8 Ų | 137.8 | 83% | 0.827 | 80% | 0.799 | S | S | * | * | | | trans | 84.9 | 101.2 | 134.1 | -138.4 | 154.3 | 22.3 | 0 | 0 | 120.6 | | |
| 318 | T | 34 | Very low | 34.1 | Very low | 126 Ų | 126 | 137.2 Ų | 137.2 | 77% | 0.773 | 80% | 0.804 | S | S | * | * | | | trans | -76 | 179.4 | 153.2 | 51.3 | 0 | 0 | 0 | 0 | 110.2 | | |
| 319 | P | 41.3 | Very low | 34.1 | Very low | 118 Ų | 118 | 139.6 Ų | 139.6 | 77% | 0.766 | 81% | 0.807 | S | S | * | * | | | cis | -139.1 | 167.9 | 7.7 | 42.8 | -25.6 | 0 | 0 | 0 | 117.7 | | |
| 320 | S | 32.5 | Very low | 34 | Very low | 113 Ų | 113 | 142.9 Ų | 142.9 | 79% | 0.79 | 81% | 0.812 | S | S | * | * | | | trans | -174.6 | 123.3 | 132.2 | 28.3 | 0 | 0 | 0 | 0 | 108.4 | | |
| 321 | S | 34.8 | Very low | 34.1 | Very low | 127 Ų | 127 | 141.6 Ų | 141.6 | 89% | 0.888 | 82% | 0.815 | S | S | * | * | | | | 66.3 | 110.5 | 89.6 | -160.4 | 0 | 0 | 0 | 0 | 113 | | |
| 322 | G | 36.7 | Very low | 34.5 | Very low | 60 Ų | 60 | 138 Ų | 138 | 62% | 0.619 | 82% | 0.815 | S | S | * | * | | | trans | -102.4 | 153.9 | -169.7 | 0 | 0 | 0 | 0 | 0 | 114.8 | | |
| 323 | Q | 38.2 | Very low | 35.1 | Very low | 190 Ų | 190 | 136.1 Ų | 136.1 | 89% | 0.888 | 81% | 0.808 | S | S | * | * | | | trans | -135.1 | 76.7 | 161.4 | -76.1 | -167.9 | -23.2 | 0 | 0 | 109.8 | S325 | Q323-S325 PolarHBondContact O-N 3.38Å; Q323-S325 VanDerWaalsContact O-N 3.16Å |
| 324 | F | 31.1 | Very low | 35.7 | Very low | 212 Ų | 212 | 134.7 Ų | 134.7 | 93% | 0.93 | 81% | 0.809 | S | S | * | * | | | trans | -81 | 85.3 | 171.1 | -74.2 | -70.1 | 0 | 0 | 0 | 110.8 | | |
| 325 | S | 37.7 | Very low | 36.7 | Very low | 117 Ų | 117 | 138.6 Ų | 138.6 | 82% | 0.818 | 81% | 0.812 | S | S | * | * | | | trans | -87.3 | 100.6 | 158.5 | 46.3 | 0 | 0 | 0 | 0 | 109.2 | Q323 S327 | Q323-S325 PolarHBondContact O-N 3.38Å; Q323-S325 VanDerWaalsContact O-N 3.16Å; S325-S327 PolarHBondContact O-N 3.45Å |
| 326 | S | 32.7 | Very low | 36.5 | Very low | 110 Ų | 110 | 145 Ų | 145 | 77% | 0.769 | 82% | 0.823 | S | S | * | * | | | trans | -80 | 110.5 | -174.8 | 40.8 | 0 | 0 | 0 | 0 | 112.8 | | |
| 327 | S | 32.8 | Very low | 36.9 | Very low | 103 Ų | 103 | 143.1 Ų | 143.1 | 72% | 0.72 | 82% | 0.823 | S | S | * | * | | | trans | -168.8 | 111.8 | 155.1 | -84.4 | 0 | 0 | 0 | 0 | 111.8 | S325 I329 | S325-S327 PolarHBondContact O-N 3.45Å; S327-I329 PolarHBondContact O-N 2.85Å |
| 328 | P | 39.1 | Very low | 37.2 | Very low | 132 Ų | 132 | 143.3 Ų | 143.3 | 86% | 0.857 | 83% | 0.828 | S | S | * | * | | | trans | -75 | 108.8 | 170 | -11.5 | 27.9 | 0 | 0 | 0 | 110.4 | Q330 | P328-Q330 PolarHBondContact O-N 3.27Š|
| 329 | I | 36.3 | Very low | 37.2 | Very low | 159 Ų | 159 | 141 Ų | 141 | 82% | 0.815 | 83% | 0.829 | S | S | * | * | | | trans | -78.9 | 115.2 | 173.5 | -61.2 | 177.6 | 0 | 0 | 0 | 108.9 | S327 A331 | S327-I329 PolarHBondContact O-N 2.85Å; I329-A331 PolarHBondContact O-N 2.95Å |
| 330 | Q | 41.9 | Very low | 36.8 | Very low | 186 Ų | 186 | 141 Ų | 141 | 87% | 0.869 | 83% | 0.832 | S | S | * | * | | | trans | -66 | 113.7 | 173.5 | -70.7 | -174.5 | -5.5 | 0 | 0 | 110.6 | P328 S332 | P328-Q330 PolarHBondContact O-N 3.27Å; Q330-S332 PolarHBondContact O-N 3.4Å; Q330-S332 VanDerWaalsContact O-N 3.07Å |
| 331 | A | 36 | Very low | 36.8 | Very low | 101 Ų | 101 | 143.1 Ų | 143.1 | 84% | 0.835 | 83% | 0.833 | S | S | * | * | | | trans | -75.3 | 95.7 | 179.6 | 0 | 0 | 0 | 0 | 0 | 111.3 | I329 | I329-A331 PolarHBondContact O-N 2.95Š|
| 332 | S | 39 | Very low | 36.7 | Very low | 121 Ų | 121 | 143.4 Ų | 143.4 | 85% | 0.846 | 83% | 0.83 | S | S | * | * | | | trans | -75.2 | 124.8 | 170.9 | 65.9 | 0 | 0 | 0 | 0 | 110.9 | Q330 | Q330-S332 PolarHBondContact O-N 3.4Å; Q330-S332 VanDerWaalsContact O-N 3.07Å |
| 333 | A | 38.8 | Very low | 36.7 | Very low | 92 Ų | 92 | 145.8 Ų | 145.8 | 76% | 0.76 | 84% | 0.837 | S | S | * | * | | | trans | -82.4 | 127.3 | -170.8 | 0 | 0 | 0 | 0 | 0 | 113.3 | | |
| 334 | K | 38.8 | Very low | 37.1 | Very low | 211 Ų | 211 | 142.3 Ų | 142.3 | 92% | 0.917 | 83% | 0.831 | S | S | * | * | | | trans | -151.8 | 147.6 | 147.1 | -101.2 | 126.3 | -170.3 | 176.5 | 0 | 111.1 | | |
| 335 | K | 48.9 | Very low | 37.4 | Very low | 190 Ų | 190 | 137.4 Ų | 137.4 | 83% | 0.826 | 82% | 0.823 | S | S | * | * | | | trans | -92.4 | 138.9 | -172.6 | -51.9 | 166.9 | -176.3 | 175.7 | 0 | 109.7 | | |
| 336 | Y | 35 | Very low | 37.5 | Very low | 246 Ų | 246 | 137.3 Ų | 137.3 | 97% | 0.965 | 82% | 0.819 | S | S | * | * | | | | -153.1 | 153.6 | 129.1 | -80.2 | -58.6 | 0 | 0 | 0 | 109 | | |
| 337 | S | 38.4 | Very low | 37.6 | Very low | 114 Ų | 114 | 139 Ų | 139 | 80% | 0.797 | 82% | 0.819 | S | S | * | * | | | trans | -146.5 | 136.5 | -175.8 | 177.4 | 0 | 0 | 0 | 0 | 109.1 | | |
| 338 | L | 37.6 | Very low | 37.7 | Very low | 181 Ų | 181 | 139.4 Ų | 139.4 | 95% | 0.948 | 82% | 0.821 | S | S | * | * | | | trans | 178.1 | 148.4 | 158.3 | -101.9 | 158.3 | 0 | 0 | 0 | 109.7 | | |
| 339 | G | 32.8 | Very low | 37.3 | Very low | 77 Ų | 77 | 138 Ų | 138 | 79% | 0.794 | 82% | 0.815 | S | S | * | * | | | trans | 107.5 | 66.3 | 161.5 | 0 | 0 | 0 | 0 | 0 | 117.9 | | |
| 340 | S | 33.5 | Very low | 37.3 | Very low | 118 Ų | 118 | 136.5 Ų | 136.5 | 83% | 0.825 | 82% | 0.815 | S | S | * | * | | | trans | -85.6 | 148.3 | 157.1 | -53.8 | 0 | 0 | 0 | 0 | 111 | | |
| 341 | I | 32.2 | Very low | 36.9 | Very low | 159 Ų | 159 | 134.1 Ų | 134.1 | 82% | 0.815 | 81% | 0.814 | S | S | * | * | | | trans | -158.7 | 147 | 136.4 | 29.2 | 172.7 | 0 | 0 | 0 | 112.3 | | |
| 342 | T | 33.4 | Very low | 37 | Very low | 132 Ų | 132 | 138.4 Ų | 138.4 | 81% | 0.81 | 81% | 0.814 | S | S | * | * | | | trans | 53.2 | 102.6 | 156.6 | 53.4 | 0 | 0 | 0 | 0 | 120.3 | | |
| 343 | S | 35.6 | Very low | 36.7 | Very low | 110 Ų | 110 | 138.1 Ų | 138.1 | 77% | 0.769 | 81% | 0.811 | S | S | * | * | | | trans | -83 | 179.8 | 142.1 | 73.6 | 0 | 0 | 0 | 0 | 109.2 | | |
| 344 | P | 46.3 | Very low | 36.7 | Very low | 117 Ų | 117 | 139.6 Ų | 139.6 | 76% | 0.76 | 81% | 0.813 | S | S | * | * | | | cis | -133.5 | 168.8 | 34.7 | 41.4 | -23.6 | 0 | 0 | 0 | 117.8 | | |
| 345 | S | 37.6 | Very low | 36.4 | Very low | 109 Ų | 109 | 137.6 Ų | 137.6 | 76% | 0.762 | 81% | 0.811 | S | S | * | * | | | trans | -72.5 | 173.9 | 168.7 | -24.1 | 0 | 0 | 0 | 0 | 112.1 | | |
| 346 | P | 41.4 | Very low | 35.5 | Very low | 115 Ų | 115 | 136.2 Ų | 136.2 | 75% | 0.747 | 81% | 0.807 | S | S | * | * | | | | -134.1 | -163.5 | 52.4 | 29.5 | -3.6 | 0 | 0 | 0 | 112.5 | | |
| 347 | I | 33.8 | Very low | 35.5 | Very low | 147 Ų | 147 | 133.9 Ų | 133.9 | 75% | 0.754 | 80% | 0.803 | S | S | * | * | | | cis | -154.2 | 158 | 19.2 | -7.9 | 177.9 | 0 | 0 | 0 | 112.2 | | |
| 348 | S | 34.1 | Very low | 35.4 | Very low | 110 Ų | 110 | 136.7 Ų | 136.7 | 77% | 0.769 | 80% | 0.803 | S | S | * | * | | | trans | 54.4 | 116.1 | 148.3 | -57.9 | 0 | 0 | 0 | 0 | 122.1 | | |
| 349 | S | 31.5 | Very low | 35.3 | Very low | 104 Ų | 104 | 136.2 Ų | 136.2 | 73% | 0.727 | 80% | 0.8 | S | S | * | * | P | Polyproline II helix | trans | -62 | 156.9 | 155.5 | -43.7 | 0 | 0 | 0 | 0 | 112.6 | | |
| 350 | P | 36.1 | Very low | 35.2 | Very low | 126 Ų | 126 | 135.5 Ų | 135.5 | 82% | 0.818 | 79% | 0.792 | S | S | * | * | P | Polyproline II helix | trans | -73.5 | 131.6 | 168.3 | 30.7 | -33.5 | 0 | 0 | 0 | 111.5 | | |
| 351 | T | 34.3 | Very low | 35.3 | Very low | 137 Ų | 137 | 138.8 Ų | 138.8 | 84% | 0.84 | 80% | 0.795 | S | S | * | * | P | Polyproline II helix | trans | -88.7 | 130.9 | 175.7 | -64.9 | 0 | 0 | 0 | 0 | 110.6 | | |
| 352 | F | 36.8 | Very low | 35.5 | Very low | 191 Ų | 191 | 137.7 Ų | 137.7 | 84% | 0.838 | 80% | 0.796 | S | S | * | * | P | Polyproline II helix | trans | -67.1 | 149.6 | 168 | -73.4 | -101.4 | 0 | 0 | 0 | 111.4 | | |
| 353 | S | 33 | Very low | 35.6 | Very low | 114 Ų | 114 | 137.1 Ų | 137.1 | 80% | 0.797 | 79% | 0.794 | S | S | * | * | | | | 175.4 | 173.5 | 125.5 | -80.3 | 0 | 0 | 0 | 0 | 110 | | |
| 354 | P | 38.8 | Very low | 35.3 | Very low | 123 Ų | 123 | 139.3 Ų | 139.3 | 80% | 0.799 | 80% | 0.796 | S | S | * | * | | | trans | -89.1 | 175.3 | -165.3 | 16.5 | -0.9 | 0 | 0 | 0 | 113.4 | | |
| 355 | I | 32.3 | Very low | 34.8 | Very low | 169 Ų | 169 | 138.5 Ų | 138.5 | 87% | 0.867 | 79% | 0.793 | S | S | * | * | | | trans | -109.4 | 118.4 | 165 | -66.5 | -178.7 | 0 | 0 | 0 | 109.6 | | |
| 356 | E | 31.1 | Very low | 34.5 | Very low | 161 Ų | 161 | 142.7 Ų | 142.7 | 75% | 0.752 | 80% | 0.801 | S | S | * | * | | | trans | -77.2 | 150.9 | 172.6 | -173.2 | -179.1 | 147 | 0 | 0 | 110.4 | | |
| 357 | F | 33.8 | Very low | 34.1 | Very low | 198 Ų | 198 | 145 Ų | 145 | 87% | 0.868 | 80% | 0.802 | S | S | * | * | | | trans | -77.2 | 126.5 | 178.8 | -82.4 | -95 | 0 | 0 | 0 | 111.7 | | |
| 358 | Q | 36.9 | Very low | 34 | Very low | 172 Ų | 172 | 148.4 Ų | 148.4 | 80% | 0.804 | 81% | 0.805 | S | S | * | * | | | trans | -135.3 | 149.4 | 157.8 | -65.7 | -166.7 | 14.9 | 0 | 0 | 111 | | |
| 359 | I | 36.2 | Very low | 34 | Very low | 171 Ų | 171 | 151.8 Ų | 151.8 | 88% | 0.877 | 81% | 0.806 | S | S | * | * | | | trans | -86.1 | 147.6 | -178.1 | -101.9 | 65.1 | 0 | 0 | 0 | 110.5 | | |
| 360 | G | 30.6 | Very low | 34.1 | Very low | 62 Ų | 62 | 156.2 Ų | 156.2 | 64% | 0.639 | 81% | 0.813 | S | S | * | * | | | trans | 173.1 | 115.5 | 165.5 | 0 | 0 | 0 | 0 | 0 | 115.7 | | |
| 361 | E | 35.6 | Very low | 33.8 | Very low | 187 Ų | 187 | 155.4 Ų | 155.4 | 87% | 0.874 | 81% | 0.806 | S | S | * | * | | | trans | 43.2 | 124.3 | 148.5 | -56.8 | -62.3 | 91.9 | 0 | 0 | 120.8 | | |
| 362 | T | 36.3 | Very low | 33.7 | Very low | 137 Ų | 137 | 154.8 Ų | 154.8 | 84% | 0.84 | 80% | 0.802 | S | S | * | * | | | trans | -104.9 | 146.5 | 166.9 | 54.4 | 0 | 0 | 0 | 0 | 112.6 | | |
| 363 | P | 35.6 | Very low | 33.5 | Very low | 120 Ų | 120 | 154.1 Ų | 154.1 | 78% | 0.779 | 80% | 0.8 | S | S | * | * | | | trans | -117.1 | 113.4 | 148.2 | 32.8 | -23 | 0 | 0 | 0 | 110 | | |
| 364 | L | 29.2 | Very low | 33.6 | Very low | 155 Ų | 155 | 153.7 Ų | 153.7 | 81% | 0.812 | 80% | 0.798 | S | S | * | * | | | | 71.7 | 100.2 | 91.2 | -103.1 | 167.7 | 0 | 0 | 0 | 115 | | |
| 365 | S | 34.9 | Very low | 34.2 | Very low | 100 Ų | 100 | 153.6 Ų | 153.6 | 70% | 0.699 | 80% | 0.797 | S | S | * | * | | | trans | 18.9 | 134.9 | 151.7 | 64 | 0 | 0 | 0 | 0 | 121.5 | | |
| 366 | E | 32.7 | Very low | 34.1 | Very low | 198 Ų | 198 | 153.3 Ų | 153.3 | 93% | 0.925 | 80% | 0.797 | S | S | * | * | | | | -147.7 | 177.9 | 124.4 | -126.5 | 176.5 | -133.7 | 0 | 0 | 112.3 | | |
| 367 | Q | 32.5 | Very low | 34.1 | Very low | 164 Ų | 164 | 149.7 Ų | 149.7 | 77% | 0.766 | 80% | 0.795 | S | S | * | * | | | trans | -111.5 | 158.2 | -155.1 | -54.7 | -178.8 | 4.4 | 0 | 0 | 115.8 | | |
| 368 | R | 31.2 | Very low | 34 | Very low | 217 Ų | 217 | 145.7 Ų | 145.7 | 82% | 0.819 | 79% | 0.791 | S | S | * | * | | | | 107.3 | 132.1 | 124.9 | -142.2 | 175.6 | -151.1 | 172.7 | 8.4 | 119.9 | | |
| 369 | K | 34 | Very low | 33.8 | Very low | 181 Ų | 181 | 143.3 Ų | 143.3 | 79% | 0.787 | 79% | 0.794 | S | S | * | * | | | trans | 70.5 | 110.1 | 152.7 | -101.4 | -171.3 | 173.4 | -167.2 | 0 | 120.1 | | |
| 370 | F | 34.5 | Very low | 33.4 | Very low | 197 Ų | 197 | 138.2 Ų | 138.2 | 86% | 0.864 | 78% | 0.783 | S | S | * | * | | | trans | -71.7 | 154 | 143.9 | -65.4 | -93 | 0 | 0 | 0 | 111.1 | | |
| 371 | T | 29.7 | Very low | 33.3 | Very low | 109 Ų | 109 | 141.5 Ų | 141.5 | 67% | 0.669 | 79% | 0.791 | S | S | * | * | | | trans | -140.3 | 136.6 | 153.1 | -59.5 | 0 | 0 | 0 | 0 | 107.4 | | |
| 372 | V | 32.5 | Very low | 33.1 | Very low | 125 Ų | 125 | 139.6 Ų | 139.6 | 76% | 0.758 | 79% | 0.787 | S | S | * | * | | | trans | -119.2 | 136 | -178.8 | -168.6 | 0 | 0 | 0 | 0 | 108.5 | | |
| 373 | H | 31.3 | Very low | 33 | Very low | 176 Ų | 176 | 136.9 Ų | 136.9 | 82% | 0.815 | 77% | 0.774 | S | S | * | * | | | trans | -141.4 | 130.1 | 168.1 | -81.7 | -68 | 0 | 0 | 0 | 111.8 | | |
| 374 | S | 35.7 | Very low | 32.9 | Very low | 106 Ų | 106 | 138.8 Ų | 138.8 | 74% | 0.741 | 78% | 0.777 | S | S | * | * | | | trans | -107.7 | 149.5 | 166.4 | -171.2 | 0 | 0 | 0 | 0 | 109 | | |
| 375 | P | 52.1 | Low | 32.9 | Very low | 121 Ų | 121 | 134.8 Ų | 134.8 | 79% | 0.786 | 77% | 0.773 | S | S | * | * | | | trans | -114.9 | 126.8 | 168.9 | 35.3 | -23.4 | 0 | 0 | 0 | 112.7 | | |
| 376 | D | 29.8 | Very low | 33 | Very low | 162 Ų | 162 | 137.6 Ų | 137.6 | 87% | 0.866 | 78% | 0.779 | S | S | * | * | | | trans | -98.9 | 157.3 | 169.5 | -102.2 | -54.3 | 0 | 0 | 0 | 112.8 | | |
| 377 | A | 30.9 | Very low | 33.2 | Very low | 85 Ų | 85 | 135 Ų | 135 | 70% | 0.702 | 78% | 0.776 | S | S | * | * | | | trans | -22.5 | 139 | -179 | 0 | 0 | 0 | 0 | 0 | 120.8 | | |
| 378 | S | 32.3 | Very low | 33.3 | Very low | 114 Ų | 114 | 134 Ų | 134 | 80% | 0.797 | 78% | 0.777 | S | S | * | * | | | | 156.4 | 159.7 | 92.2 | 60.6 | 0 | 0 | 0 | 0 | 116.4 | | |
| 379 | S | 32.2 | Very low | 33.9 | Very low | 123 Ų | 123 | 129.2 Ų | 129.2 | 86% | 0.86 | 77% | 0.774 | S | S | * | * | | | trans | 70 | 145.7 | 155.9 | -155.7 | 0 | 0 | 0 | 0 | 119.9 | | |
| 380 | G | 27.1 | Very low | 33.8 | Very low | 63 Ų | 63 | 126.8 Ų | 126.8 | 65% | 0.649 | 78% | 0.778 | S | S | * | * | | | trans | -175 | -57.4 | 167.9 | 0 | 0 | 0 | 0 | 0 | 122.3 | | |
| 381 | T | 29.4 | Very low | 33.9 | Very low | 132 Ų | 132 | 125.5 Ų | 125.5 | 81% | 0.81 | 78% | 0.778 | S | S | * | * | | | trans | 73.3 | 143.8 | -178.5 | -43.5 | 0 | 0 | 0 | 0 | 117.8 | | |
| 382 | N | 32.1 | Very low | 34.1 | Very low | 146 Ų | 146 | 131.9 Ų | 131.9 | 78% | 0.781 | 79% | 0.79 | S | S | * | * | | | trans | 75.4 | 158.4 | 166.7 | 93.7 | 68.9 | 0 | 0 | 0 | 119.2 | | |
| 383 | S | 33.4 | Very low | 34.2 | Very low | 80 Ų | 80 | 130.7 Ų | 130.7 | 56% | 0.559 | 79% | 0.788 | S | S | * | * | | | | -163.1 | 148.4 | -51.5 | 55.1 | 0 | 0 | 0 | 0 | 112.3 | | |
| 384 | N | 33.6 | Very low | 34.9 | Very low | 161 Ų | 161 | 127.7 Ų | 127.7 | 86% | 0.861 | 78% | 0.783 | S | S | * | * | | | trans | 69.3 | 138.3 | 164 | -48.3 | -36.6 | 0 | 0 | 0 | 117.8 | | |
| 385 | G | 30.1 | Very low | 34.8 | Very low | 70 Ų | 70 | 132 Ų | 132 | 72% | 0.722 | 79% | 0.785 | S | S | * | * | | | trans | 169.8 | 10.4 | 171.9 | 0 | 0 | 0 | 0 | 0 | 124.3 | | |
| 386 | I | 35.3 | Very low | 34.3 | Very low | 160 Ų | 160 | 133.8 Ų | 133.8 | 82% | 0.821 | 79% | 0.786 | S | S | * | * | | | trans | 64.3 | 115.7 | 171.7 | -52.3 | 170 | 0 | 0 | 0 | 116.4 | | |
| 387 | T | 36.8 | Very low | 35 | Very low | 142 Ų | 142 | 132.1 Ų | 132.1 | 87% | 0.871 | 78% | 0.777 | S | S | * | * | | | trans | -130.8 | 138.2 | 160.9 | -38.1 | 0 | 0 | 0 | 0 | 109.5 | | |
| 388 | N | 35.1 | Very low | 35.7 | Very low | 145 Ų | 145 | 131 Ų | 131 | 78% | 0.775 | 77% | 0.774 | S | S | * | * | | | trans | -79.6 | 151.6 | -174.7 | -86.5 | -66.1 | 0 | 0 | 0 | 113.6 | | |
| 389 | P | 43.6 | Very low | 35.8 | Very low | 116 Ų | 116 | 131.6 Ų | 131.6 | 75% | 0.753 | 78% | 0.777 | S | S | * | * | | | trans | -91.1 | 127.7 | -173.3 | 34.3 | -33 | 0 | 0 | 0 | 112.9 | | |
| 390 | C | 32.7 | Very low | 36 | Very low | 129 Ų | 129 | 131.1 Ų | 131.1 | 87% | 0.872 | 77% | 0.774 | S | S | * | * | | | trans | -155.8 | 33 | 171.2 | -141.7 | 0 | 0 | 0 | 0 | 117.1 | | |
| 391 | I | 36.7 | Very low | 36.5 | Very low | 171 Ų | 171 | 133.7 Ų | 133.7 | 88% | 0.877 | 78% | 0.779 | S | S | * | * | | | trans | -128.9 | 101.3 | 163.3 | -53.2 | 179.6 | 0 | 0 | 0 | 108.9 | | |
| 392 | R | 33.1 | Very low | 36.8 | Very low | 242 Ų | 242 | 134.6 Ų | 134.6 | 91% | 0.913 | 78% | 0.777 | S | S | * | * | | | trans | -139.2 | 86.1 | 173.2 | -175 | 176.4 | -179.4 | 151.7 | 1.5 | 109.8 | | |
| 393 | S | 34.8 | Very low | 37 | Very low | 101 Ų | 101 | 136 Ų | 136 | 71% | 0.706 | 78% | 0.776 | S | S | * | * | P | Polyproline II helix | trans | -68.3 | 143.1 | 160 | 42.2 | 0 | 0 | 0 | 0 | 109.6 | | |
| 394 | P | 47 | Very low | 37 | Very low | 112 Ų | 112 | 139.1 Ų | 139.1 | 73% | 0.727 | 79% | 0.786 | S | S | * | * | P | Polyproline II helix | trans | -74.4 | 130.2 | 172.1 | 29.9 | -32.3 | 0 | 0 | 0 | 110.2 | I396 | P394-I396 PolarHBondContact O-N 3.19Š|
| 395 | Y | 33 | Very low | 36.8 | Very low | 198 Ų | 198 | 142.2 Ų | 142.2 | 78% | 0.776 | 79% | 0.786 | S | S | * | * | P | Polyproline II helix | trans | -65.1 | 126.3 | 168.1 | -174.2 | -95.5 | 0 | 0 | 0 | 109.1 | D397 | Y395-D397 HydrophobicContact CD1-CB 4.22Å; Y395-D397 HydrophobicContact CE1-CB 3.8Å |
| 396 | I | 42 | Very low | 36.8 | Very low | 158 Ų | 158 | 144 Ų | 144 | 81% | 0.81 | 79% | 0.788 | S | S | * | * | | | trans | -108 | 120.7 | 164.4 | -64.3 | -178.1 | 0 | 0 | 0 | 106.5 | P394 | P394-I396 PolarHBondContact O-N 3.19Š|
| 397 | D | 42.9 | Very low | 36.7 | Very low | 126 Ų | 126 | 142.5 Ų | 142.5 | 67% | 0.674 | 79% | 0.788 | S | S | * | * | | | trans | -80.8 | 158 | -178 | -166.1 | 7.5 | 0 | 0 | 0 | 111.3 | Y395 | Y395-D397 HydrophobicContact CD1-CB 4.22Å; Y395-D397 HydrophobicContact CE1-CB 3.8Å |
| 398 | G | 46 | Very low | 36.3 | Very low | 62 Ų | 62 | 144.6 Ų | 144.6 | 64% | 0.639 | 79% | 0.79 | S | S | * | * | | | trans | 87.6 | 57.8 | 168.3 | 0 | 0 | 0 | 0 | 0 | 116.9 | | |
| 399 | C | 34.6 | Very low | 36.2 | Very low | 127 Ų | 127 | 148.6 Ų | 148.6 | 86% | 0.858 | 80% | 0.795 | S | S | * | * | | | trans | -140.6 | 109.5 | 156.5 | -87.1 | 0 | 0 | 0 | 0 | 109.8 | P401 | C399-P401 WeakPolarHBondContact O-CD 3.47Š|
| 400 | S | 37.5 | Very low | 35.7 | Very low | 113 Ų | 113 | 150.8 Ų | 150.8 | 79% | 0.79 | 80% | 0.799 | S | S | * | * | | | trans | -97.7 | 111.5 | -179.4 | -60.1 | 0 | 0 | 0 | 0 | 111.6 | I402 | S400-I402 PolarHBondContact O-N 2.77Š|
| 401 | P | 37.7 | Very low | 35.5 | Very low | 117 Ų | 117 | 152.6 Ų | 152.6 | 76% | 0.76 | 80% | 0.795 | S | S | * | * | | | trans | -78.1 | 113 | 163.4 | 1.4 | 17.5 | 0 | 0 | 0 | 107.9 | C399 K403 | C399-P401 WeakPolarHBondContact O-CD 3.47Å; P401-K403 VanDerWaalsContact C-N 3.33Å; P401-K403 PolarHBondContact O-N 3.48Å |
| 402 | I | 35.6 | Very low | 35.2 | Very low | 150 Ų | 150 | 152.3 Ų | 152.3 | 77% | 0.769 | 79% | 0.792 | S | S | * | * | | | trans | -73.5 | 88.3 | 178.9 | -55.1 | 176.2 | 0 | 0 | 0 | 108.8 | S400 | S400-I402 PolarHBondContact O-N 2.77Š|
| 403 | K | 35 | Very low | 35.2 | Very low | 177 Ų | 177 | 151.4 Ų | 151.4 | 77% | 0.77 | 79% | 0.79 | S | S | * | * | | | trans | -103.4 | 76.1 | 178.7 | -167 | 170.4 | -176.7 | 172.2 | 0 | 111.2 | P401 W405 | P401-K403 VanDerWaalsContact C-N 3.33Å; P401-K403 PolarHBondContact O-N 3.48Å; K403-W405 VanDerWaalsContact C-N 3.27Å; K403-W405 PolarHBondContact O-N 2.85Å |
| 404 | N | 32.9 | Very low | 35.1 | Very low | 144 Ų | 144 | 153 Ų | 153 | 77% | 0.77 | 80% | 0.801 | S | S | * | * | | | trans | -75 | 75.6 | 174.7 | -76.7 | -5.1 | 0 | 0 | 0 | 111.6 | | |
| 405 | W | 30.3 | Very low | 34.2 | Very low | 227 Ų | 227 | 151.3 Ų | 151.3 | 86% | 0.86 | 80% | 0.804 | S | S | * | * | | | trans | -137.6 | 94.7 | 167.5 | -76.8 | 103 | 0 | 0 | 0 | 110.1 | K403 | K403-W405 VanDerWaalsContact C-N 3.27Å; K403-W405 PolarHBondContact O-N 2.85Å |
| 406 | S | 31.1 | Very low | 34.1 | Very low | 108 Ų | 108 | 145.6 Ų | 145.6 | 76% | 0.755 | 81% | 0.806 | S | S | * | * | | | trans | -101.7 | 112.3 | 178.2 | 55.6 | 0 | 0 | 0 | 0 | 111.4 | M408 | S406-M408 PolarHBondContact O-N 3.05Å; S406-M408 VanDerWaalsContact O-N 3.11Å |
| 407 | P | 32.8 | Very low | 33.7 | Very low | 127 Ų | 127 | 144.6 Ų | 144.6 | 83% | 0.825 | 81% | 0.807 | S | S | * | * | | | trans | -77.8 | 96.4 | 175.3 | 30.7 | -32.9 | 0 | 0 | 0 | 110.3 | R409 | P407-R409 PolarHBondContact O-N 3.25Š|
| 408 | M | 27.9 | Very low | 33.3 | Very low | 186 Ų | 186 | 147.3 Ų | 147.3 | 92% | 0.916 | 82% | 0.816 | S | S | * | * | | | trans | -75.2 | 96.2 | -179.9 | -164.3 | 65.7 | 176.8 | 0 | 0 | 111 | S406 | S406-M408 PolarHBondContact O-N 3.05Å; S406-M408 VanDerWaalsContact O-N 3.11Å |
| 409 | R | 33.2 | Very low | 32.6 | Very low | 230 Ų | 230 | 155.2 Ų | 155.2 | 87% | 0.868 | 83% | 0.828 | S | S | * | * | | | trans | -75 | 139.5 | 179.4 | 176.8 | 173.1 | 164.5 | 171.3 | -5 | 111.6 | P407 Q411 | P407-R409 PolarHBondContact O-N 3.25Å; R409-Q411 PolarHBondContact O-N 3.34Å |
| 410 | L | 32.8 | Very low | 32.4 | Very low | 161 Ų | 161 | 159.8 Ų | 159.8 | 84% | 0.843 | 83% | 0.827 | S | S | * | * | | | trans | -56.1 | 127.3 | -179.5 | -161.3 | 84.1 | 0 | 0 | 0 | 113.1 | | |
| 411 | Q | 28.6 | Very low | 32 | Very low | 168 Ų | 168 | 161.3 Ų | 161.3 | 79% | 0.785 | 83% | 0.831 | S | S | * | * | | | trans | -145.6 | 140.1 | 159 | -172.4 | 164.4 | 2.7 | 0 | 0 | 110.2 | R409 | R409-Q411 PolarHBondContact O-N 3.34Š|
| 412 | M | 31.3 | Very low | 31.7 | Very low | 165 Ų | 165 | 159.7 Ų | 159.7 | 81% | 0.813 | 82% | 0.823 | S | S | * | * | | | trans | -88.3 | 142.6 | -172.7 | -49 | -153.8 | 86.9 | 0 | 0 | 112.7 | | |
| 413 | Y | 31.6 | Very low | 31.5 | Very low | 223 Ų | 223 | 159.2 Ų | 159.2 | 88% | 0.875 | 83% | 0.827 | S | S | * | * | | | trans | -131.9 | 144.5 | 154.8 | -88.8 | -83.2 | 0 | 0 | 0 | 109.9 | | |
| 414 | S | 32.5 | Very low | 31.3 | Very low | 133 Ų | 133 | 157.9 Ų | 157.9 | 93% | 0.93 | 83% | 0.826 | S | S | * | * | | | trans | -98 | 140.6 | -179.4 | -174 | 0 | 0 | 0 | 0 | 110.8 | | |
| 415 | G | 29.4 | Very low | 31 | Very low | 78 Ų | 78 | 159.4 Ų | 159.4 | 80% | 0.804 | 83% | 0.829 | S | S | * | * | | | trans | 149.6 | 104.7 | -178.5 | 0 | 0 | 0 | 0 | 0 | 109.5 | | |
| 416 | G | 30.8 | Very low | 31.1 | Very low | 78 Ų | 78 | 155.2 Ų | 155.2 | 80% | 0.804 | 82% | 0.822 | S | S | * | * | | | trans | -120.2 | 162.9 | -169 | 0 | 0 | 0 | 0 | 0 | 114.6 | | |
| 417 | T | 33 | Very low | 31.1 | Very low | 136 Ų | 136 | 155.4 Ų | 155.4 | 83% | 0.834 | 82% | 0.821 | S | S | * | * | | | trans | -142.7 | 149.3 | 157.5 | 25.2 | 0 | 0 | 0 | 0 | 108.4 | | |
| 418 | Q | 34.4 | Very low | 30.8 | Very low | 184 Ų | 184 | 158.6 Ų | 158.6 | 86% | 0.86 | 82% | 0.822 | S | S | * | * | | | trans | -93.6 | 126.6 | -173.9 | -61 | 175.8 | 8.7 | 0 | 0 | 111 | | |
| 419 | Y | 31.4 | Very low | 30.8 | Very low | 227 Ų | 227 | 156.6 Ų | 156.6 | 89% | 0.89 | 82% | 0.821 | S | S | * | * | | | trans | -131.2 | 145.4 | 153.2 | -75.5 | -74.3 | 0 | 0 | 0 | 109.9 | | |
| 420 | R | 30.3 | Very low | 30.8 | Very low | 224 Ų | 224 | 151.3 Ų | 151.3 | 85% | 0.845 | 81% | 0.809 | S | S | * | * | | | trans | -132.7 | 113.9 | -157.8 | 175 | -165.2 | -177.4 | -156 | 4.1 | 109.2 | | |
| 421 | T | 28.8 | Very low | 30.6 | Very low | 144 Ų | 144 | 147.8 Ų | 147.8 | 88% | 0.883 | 79% | 0.788 | S | S | * | * | | | trans | -125.7 | 122.5 | 171.6 | -44.5 | 0 | 0 | 0 | 0 | 107.9 | | |
| 422 | S | 32 | Very low | 30.6 | Very low | 84 Ų | 84 | 145 Ų | 145 | 59% | 0.587 | 78% | 0.783 | S | S | * | * | | | trans | -83.6 | 138.5 | -173.3 | -57.3 | 0 | 0 | 0 | 0 | 111.7 | | |
| 423 | V | 30.8 | Very low | 30.4 | Very low | 140 Ų | 140 | 146.6 Ų | 146.6 | 85% | 0.848 | 79% | 0.788 | S | S | * | * | | | trans | -68.1 | 136.2 | 159.3 | 177.4 | 0 | 0 | 0 | 0 | 108.3 | | |
| 424 | I | 31.5 | Very low | 30.1 | Very low | 148 Ų | 148 | 139.6 Ų | 139.6 | 76% | 0.759 | 78% | 0.783 | S | S | * | * | | | trans | -120.6 | 131.7 | 164.7 | -65.2 | -179.4 | 0 | 0 | 0 | 107.4 | | |
| 425 | Q | 27.2 | Very low | 30 | Very low | 176 Ų | 176 | 142 Ų | 142 | 82% | 0.822 | 78% | 0.78 | S | S | * | * | | | trans | -109.2 | 133.5 | -175 | 179.1 | -179 | 3 | 0 | 0 | 108 | | |
| 426 | I | 31.3 | Very low | 30 | Very low | 140 Ų | 140 | 145.9 Ų | 145.9 | 72% | 0.718 | 78% | 0.783 | S | S | * | * | | | trans | -120.1 | 126 | 174.4 | -57.4 | -180 | 0 | 0 | 0 | 107.2 | | |
| 427 | P | 30.7 | Very low | 30.3 | Very low | 111 Ų | 111 | 150.6 Ų | 150.6 | 72% | 0.721 | 78% | 0.784 | S | S | * | * | | | trans | -81.3 | 161.4 | -178.7 | 34.3 | -35.5 | 0 | 0 | 0 | 112 | | |
| 428 | F | 27.2 | Very low | 30.5 | Very low | 194 Ų | 194 | 152.6 Ų | 152.6 | 85% | 0.851 | 78% | 0.783 | S | S | * | * | | | trans | -120.8 | 145.4 | 174.1 | 26.8 | -100.7 | 0 | 0 | 0 | 109.4 | | |
| 429 | T | 27.2 | Very low | 30.4 | Very low | 145 Ų | 145 | 150.2 Ų | 150.2 | 89% | 0.89 | 78% | 0.776 | S | S | * | * | | | trans | -132.4 | 155.6 | 173.4 | 46.5 | 0 | 0 | 0 | 0 | 109.5 | | |
| 430 | L | 33.7 | Very low | 30.6 | Very low | 118 Ų | 118 | 146.2 Ų | 146.2 | 62% | 0.618 | 76% | 0.764 | S | S | * | * | | | trans | -116 | 165 | -161.3 | -165.6 | 75.2 | 0 | 0 | 0 | 111.1 | | |
| 431 | E | 28.4 | Very low | 30.8 | Very low | 87 Ų | 87 | 142.1 Ų | 142.1 | 41% | 0.407 | 75% | 0.754 | S | S | . | * | | | trans | 143.9 | 179.2 | 134.1 | -67 | -119.2 | -159.8 | 0 | 0 | 114.6 | K524 E525 | E431-K524 WeakPolarHBondContact OE1-CA 3.2Å; E431-K524 PolarHBondContact OE1-N 2.93Å; E431-E525 HydrophobicContact CB-CB 4.37Å; E431-E525 HydrophobicContact CB-CG 3.6Å; E431-E525 VanDerWaalsContact CD-N 3.34Å; E431-E525 HydrophobicContact CG-CB 4.24Å; E431-E525 HydrophobicContact CG-CG 3.93Å; E431-E525 PolarHBondContact OE1-N 3.3Å |
| 432 | T | 28.3 | Very low | 30.8 | Very low | 111 Ų | 111 | 141 Ų | 141 | 68% | 0.681 | 74% | 0.743 | S | S | * | * | | | trans | -152.5 | 150.3 | -134.1 | -13.6 | 0 | 0 | 0 | 0 | 115.1 | | |
| 433 | Q | 27.1 | Very low | 30.7 | Very low | 198 Ų | 198 | 144 Ų | 144 | 93% | 0.925 | 75% | 0.751 | S | S | * | * | | | trans | 68.7 | 152.3 | 166 | -64.1 | -169.9 | -14 | 0 | 0 | 119.2 | | |
| 434 | G | 26.6 | Very low | 31.5 | Very low | 75 Ų | 75 | 142.3 Ų | 142.3 | 77% | 0.773 | 74% | 0.742 | S | S | * | * | | | trans | 160.2 | 69.6 | 176 | 0 | 0 | 0 | 0 | 0 | 117.4 | | |
| 435 | E | 29 | Very low | 31.4 | Very low | 184 Ų | 184 | 140 Ų | 140 | 86% | 0.86 | 74% | 0.74 | S | S | * | * | | | trans | 11.7 | 147.8 | 152.5 | -62.1 | 169.5 | 168.5 | 0 | 0 | 124.9 | | |
| 436 | D | 31.1 | Very low | 31.4 | Very low | 160 Ų | 160 | 137.6 Ų | 137.6 | 86% | 0.856 | 74% | 0.737 | S | S | * | * | | | trans | 79.3 | 172.8 | 144.6 | -76.4 | 17.8 | 0 | 0 | 0 | 124.8 | | |
| 437 | E | 36.1 | Very low | 31.2 | Very low | 177 Ų | 177 | 137.5 Ų | 137.5 | 83% | 0.827 | 74% | 0.738 | S | S | * | * | | | trans | -113.8 | 171.1 | -146.9 | -74.3 | -164.2 | 133.2 | 0 | 0 | 117.7 | | |
| 438 | E | 36.2 | Very low | 31.1 | Very low | 177 Ų | 177 | 137.8 Ų | 137.8 | 83% | 0.827 | 74% | 0.738 | S | S | * | * | | | trans | 65.2 | 111.6 | 150.6 | -79.3 | -165.9 | 164.7 | 0 | 0 | 123.7 | | |
| 439 | D | 33.4 | Very low | 31.1 | Very low | 134 Ų | 134 | 133.5 Ų | 133.5 | 72% | 0.717 | 73% | 0.732 | S | S | * | * | | | | 91 | 146.3 | 127.4 | -150.6 | 27.1 | 0 | 0 | 0 | 123.4 | | |
| 440 | K | 35.7 | Very low | 31.1 | Very low | 144 Ų | 144 | 131.6 Ų | 131.6 | 63% | 0.626 | 72% | 0.724 | S | S | * | * | | | trans | 69.8 | 108.3 | 153.4 | -93.9 | 168.6 | -174.8 | -70.8 | 0 | 125.7 | | |
| 441 | E | 34.2 | Very low | 31.7 | Very low | 138 Ų | 138 | 131.8 Ų | 131.8 | 65% | 0.645 | 73% | 0.733 | S | S | * | * | | | | 70.6 | 127.8 | 120.4 | -90.5 | -172.2 | 96.5 | 0 | 0 | 124.7 | | |
| 442 | N | 28.8 | Very low | 31.7 | Very low | 120 Ų | 120 | 131.2 Ų | 131.2 | 64% | 0.642 | 74% | 0.743 | S | S | * | * | | | trans | 79.3 | 104.6 | 146.8 | -64.2 | -50.9 | 0 | 0 | 0 | 123.3 | | |
| 443 | I | 29.8 | Very low | 31.9 | Very low | 147 Ų | 147 | 134.7 Ų | 134.7 | 75% | 0.754 | 75% | 0.753 | S | S | * | * | | | trans | -4.5 | 160.2 | 132 | 48.9 | 164.8 | 0 | 0 | 0 | 120.7 | | |
| 444 | P | 48.3 | Very low | 31.9 | Very low | 104 Ų | 104 | 132.6 Ų | 132.6 | 68% | 0.675 | 75% | 0.749 | S | S | * | * | | | cis | -146.5 | -170.4 | -29.6 | 39.2 | -19.1 | 0 | 0 | 0 | 115.9 | | |
| 445 | S | 28.6 | Very low | 32.1 | Very low | 100 Ų | 100 | 132.9 Ų | 132.9 | 70% | 0.699 | 74% | 0.743 | S | S | * | * | | | trans | 99.1 | 133.8 | 138.3 | -72.6 | 0 | 0 | 0 | 0 | 124.3 | | |
| 446 | T | 28.1 | Very low | 32.2 | Very low | 126 Ų | 126 | 129.5 Ų | 129.5 | 77% | 0.773 | 75% | 0.747 | S | S | * | * | | | trans | 77.8 | 137.2 | 134.6 | -66.9 | 0 | 0 | 0 | 0 | 117.9 | | |
| 447 | D | 26.2 | Very low | 32 | Very low | 137 Ų | 137 | 125.6 Ų | 125.6 | 73% | 0.733 | 75% | 0.745 | S | S | * | * | | | cis | -158 | 176.9 | 11.1 | -143.6 | -15.2 | 0 | 0 | 0 | 114.4 | | |
| 448 | V | 29.1 | Very low | 31.9 | Very low | 118 Ų | 118 | 125 Ų | 125 | 72% | 0.715 | 75% | 0.746 | S | S | * | * | | | trans | 55 | 137.8 | 144.3 | 155.6 | 0 | 0 | 0 | 0 | 120.8 | | |
| 449 | S | 28 | Very low | 31.4 | Very low | 104 Ų | 104 | 125 Ų | 125 | 73% | 0.727 | 75% | 0.745 | S | S | * | * | | | cis | -167.4 | 156.3 | -12.9 | 59 | 0 | 0 | 0 | 0 | 112 | | |
| 450 | S | 25.8 | Very low | 31.2 | Very low | 105 Ų | 105 | 125 Ų | 125 | 73% | 0.734 | 75% | 0.745 | S | S | * | * | | | trans | -84.7 | -170.8 | 163 | 64 | 0 | 0 | 0 | 0 | 111.1 | | |
| 451 | P | 47.6 | Very low | 30.7 | Very low | 122 Ų | 122 | 129.2 Ų | 129.2 | 79% | 0.792 | 76% | 0.756 | S | S | * | * | | | cis | -126.7 | -152.1 | 2.6 | 34.3 | -8.8 | 0 | 0 | 0 | 111.5 | | |
| 452 | A | 28 | Very low | 30.6 | Very low | 74 Ų | 74 | 129.5 Ų | 129.5 | 61% | 0.612 | 76% | 0.758 | S | S | * | * | | | cis | -162.6 | 168.7 | 10.4 | 0 | 0 | 0 | 0 | 0 | 113 | | |
| 453 | M | 32 | Very low | 30.5 | Very low | 185 Ų | 185 | 131.8 Ų | 131.8 | 91% | 0.911 | 76% | 0.762 | S | S | * | * | | | trans | 39 | 147.1 | 135.7 | -67 | 174.9 | -165 | 0 | 0 | 122.2 | | |
| 454 | D | 27.2 | Very low | 30.4 | Very low | 154 Ų | 154 | 128.6 Ų | 128.6 | 82% | 0.824 | 75% | 0.753 | S | S | * | * | | | cis | -173.3 | 179.7 | -12.1 | -174.8 | 21.3 | 0 | 0 | 0 | 108.6 | | |
| 455 | A | 30.3 | Very low | 29.3 | Very low | 80 Ų | 80 | 129.5 Ų | 129.5 | 66% | 0.661 | 75% | 0.752 | S | S | * | * | | | trans | 80.5 | 100.4 | 157.5 | 0 | 0 | 0 | 0 | 0 | 121.2 | | |
| 456 | A | 30.8 | Very low | 29.4 | Very low | 113 Ų | 113 | 133.1 Ų | 133.1 | 93% | 0.934 | 76% | 0.758 | S | S | * | * | | | trans | 16 | 137.1 | 138.5 | 0 | 0 | 0 | 0 | 0 | 122.9 | | |
| 457 | G | 27.4 | Very low | 29.5 | Very low | 79 Ų | 79 | 131.5 Ų | 131.5 | 81% | 0.814 | 76% | 0.758 | S | S | * | * | | | trans | -165.9 | 130.7 | 161.3 | 0 | 0 | 0 | 0 | 0 | 114.1 | | |
| 458 | I | 33.4 | Very low | 29.6 | Very low | 165 Ų | 165 | 129.9 Ų | 129.9 | 85% | 0.846 | 76% | 0.757 | S | S | * | * | | | trans | -117.5 | 126.2 | -178.6 | -56.6 | 163.2 | 0 | 0 | 0 | 109.3 | | |
| 459 | H | 26.9 | Very low | 29.8 | Very low | 175 Ų | 175 | 129.2 Ų | 129.2 | 81% | 0.81 | 75% | 0.754 | S | S | * | * | | | | -170.2 | 145.2 | 126.8 | -134.5 | -94.2 | 0 | 0 | 0 | 117.9 | | |
| 460 | L | 29.3 | Very low | 29.9 | Very low | 135 Ų | 135 | 133.4 Ų | 133.4 | 71% | 0.707 | 76% | 0.761 | S | S | * | * | | | trans | -60.6 | 140.4 | 164.2 | 170.2 | 80.6 | 0 | 0 | 0 | 114.1 | | |
| 461 | R | 25.8 | Very low | 30 | Very low | 232 Ų | 232 | 132.4 Ų | 132.4 | 88% | 0.875 | 77% | 0.767 | S | S | * | * | | | trans | -151.9 | 150.6 | 139.3 | -146.2 | 169.7 | -172.1 | -98.6 | 1.6 | 113.7 | | |
| 462 | Q | 31.2 | Very low | 29.4 | Very low | 144 Ų | 144 | 133.3 Ų | 133.3 | 67% | 0.673 | 77% | 0.771 | S | S | * | * | | | trans | -115.5 | -176.3 | -175.8 | -178.4 | -179.8 | 0.7 | 0 | 0 | 110 | | |
| 463 | F | 26.6 | Very low | 29.5 | Very low | 168 Ų | 168 | 137.9 Ų | 137.9 | 74% | 0.737 | 78% | 0.779 | S | S | * | * | | | trans | 94.1 | 143.3 | 166 | -68 | -102.1 | 0 | 0 | 0 | 116.8 | | |
| 464 | S | 27.2 | Very low | 29.6 | Very low | 81 Ų | 81 | 135.1 Ų | 135.1 | 57% | 0.566 | 77% | 0.768 | S | S | * | * | | | cis | -176.3 | -176.8 | -19.2 | 58.5 | 0 | 0 | 0 | 0 | 112 | | |
| 465 | N | 26.5 | Very low | 29.7 | Very low | 122 Ų | 122 | 134.1 Ų | 134.1 | 65% | 0.652 | 77% | 0.767 | S | S | * | * | | | trans | 79.1 | 123.3 | 157.8 | -67 | 23.9 | 0 | 0 | 0 | 116.5 | | |
| 466 | E | 30.9 | Very low | 29.9 | Very low | 176 Ų | 176 | 136.2 Ų | 136.2 | 82% | 0.822 | 77% | 0.771 | S | S | * | * | | | | 71.3 | 140.2 | 74.6 | -69.9 | -177.3 | 138 | 0 | 0 | 113.7 | | |
| 467 | A | 29.4 | Very low | 29.7 | Very low | 93 Ų | 93 | 137.1 Ų | 137.1 | 77% | 0.769 | 77% | 0.765 | S | S | * | * | | | cis | -170.4 | -168.7 | -13.8 | 0 | 0 | 0 | 0 | 0 | 109.6 | | |
| 468 | S | 28.5 | Very low | 29.7 | Very low | 103 Ų | 103 | 137.3 Ų | 137.3 | 72% | 0.72 | 76% | 0.759 | S | S | * | * | | | trans | 97.3 | 97 | 152.7 | -137.8 | 0 | 0 | 0 | 0 | 122.2 | | |
| 469 | T | 32.6 | Very low | 29.4 | Very low | 104 Ų | 104 | 138.8 Ų | 138.8 | 64% | 0.638 | 77% | 0.765 | S | S | * | * | | | | 60.7 | 123.7 | 123 | 60.2 | 0 | 0 | 0 | 0 | 125.3 | | |
| 470 | H | 31.2 | Very low | 29.4 | Very low | 192 Ų | 192 | 135.5 Ų | 135.5 | 89% | 0.889 | 76% | 0.761 | S | S | * | * | | | trans | 59.3 | 135.6 | 133.5 | -59.4 | -57.6 | 0 | 0 | 0 | 123.1 | | |
| 471 | G | 27.2 | Very low | 29.3 | Very low | 83 Ų | 83 | 135.1 Ų | 135.1 | 86% | 0.856 | 76% | 0.764 | S | S | * | * | | | trans | 167.4 | 98.1 | 161.1 | 0 | 0 | 0 | 0 | 0 | 117.6 | | |
| 472 | T | 34.3 | Very low | 29.6 | Very low | 142 Ų | 142 | 129.1 Ų | 129.1 | 87% | 0.871 | 75% | 0.753 | S | S | * | * | | | trans | -65.1 | 136.3 | -176.8 | 27.6 | 0 | 0 | 0 | 0 | 119.7 | | |
| 473 | H | 31.1 | Very low | 29.6 | Very low | 169 Ų | 169 | 129.8 Ų | 129.8 | 78% | 0.782 | 76% | 0.756 | S | S | * | * | | | | 83.2 | 126.5 | 122.5 | -154.1 | -126.2 | 0 | 0 | 0 | 124.1 | | |
| 474 | L | 34 | Very low | 29.7 | Very low | 128 Ų | 128 | 127.9 Ų | 127.9 | 67% | 0.67 | 75% | 0.754 | S | S | * | * | | | trans | 60.6 | 130.2 | 149.7 | -105.7 | -175.1 | 0 | 0 | 0 | 123.5 | | |
| 475 | V | 29.8 | Very low | 29.8 | Very low | 133 Ų | 133 | 132 Ų | 132 | 81% | 0.806 | 76% | 0.764 | S | S | * | * | | | | 169.6 | 155.6 | 117.3 | 155.4 | 0 | 0 | 0 | 0 | 111.7 | | |
| 476 | V | 33.1 | Very low | 29.9 | Very low | 123 Ų | 123 | 131 Ų | 131 | 75% | 0.745 | 77% | 0.767 | S | S | * | * | | | trans | -104.6 | 142.8 | -175.4 | 174.6 | 0 | 0 | 0 | 0 | 113 | | |
| 477 | T | 27.4 | Very low | 29.8 | Very low | 133 Ų | 133 | 127.8 Ų | 127.8 | 82% | 0.816 | 76% | 0.764 | S | S | * | * | | | trans | -168.7 | 115.7 | 155 | -73.8 | 0 | 0 | 0 | 0 | 106.5 | | |
| 478 | A | 27.3 | Very low | 29.7 | Very low | 83 Ų | 83 | 127.5 Ų | 127.5 | 69% | 0.686 | 76% | 0.761 | S | S | * | * | | | cis | 88.8 | 114.2 | 48 | 0 | 0 | 0 | 0 | 0 | 114.5 | | |
| 479 | M | 27 | Very low | 29.8 | Very low | 196 Ų | 196 | 127.4 Ų | 127.4 | 97% | 0.966 | 76% | 0.761 | S | S | * | * | | | trans | -143.1 | 164.9 | 161.6 | -75.5 | -156.5 | 74.6 | 0 | 0 | 109.3 | | |
| 480 | S | 27.6 | Very low | 29.6 | Very low | 105 Ų | 105 | 129.2 Ų | 129.2 | 73% | 0.734 | 76% | 0.762 | S | S | * | * | | | trans | -156.9 | -173.2 | -162.2 | 59.2 | 0 | 0 | 0 | 0 | 113.4 | | |
| 481 | V | 27.4 | Very low | 29.6 | Very low | 127 Ų | 127 | 128.6 Ų | 128.6 | 77% | 0.77 | 76% | 0.757 | S | S | * | * | | | trans | 77.9 | 129.4 | 169.2 | 171 | 0 | 0 | 0 | 0 | 114.9 | | |
| 482 | T | 31.6 | Very low | 29.5 | Very low | 106 Ų | 106 | 132.8 Ų | 132.8 | 65% | 0.65 | 75% | 0.754 | S | S | * | * | | | cis | -159.7 | 134 | -6.2 | 18.9 | 0 | 0 | 0 | 0 | 109.9 | | |
| 483 | Q | 32.2 | Very low | 29.2 | Very low | 158 Ų | 158 | 133.5 Ų | 133.5 | 74% | 0.738 | 75% | 0.752 | S | S | * | * | | | | 71.4 | 120.2 | 98.7 | -172.4 | -171.1 | -25.1 | 0 | 0 | 118.3 | | |
| 484 | N | 26.7 | Very low | 28.9 | Very low | 128 Ų | 128 | 129.7 Ų | 129.7 | 68% | 0.684 | 75% | 0.75 | S | S | * | * | | | trans | 154.9 | 128.8 | 141.1 | -86.6 | -42.7 | 0 | 0 | 0 | 110.7 | | |
| 485 | Q | 30.4 | Very low | 28.5 | Very low | 167 Ų | 167 | 131.3 Ų | 131.3 | 78% | 0.78 | 76% | 0.758 | S | S | * | * | | | cis | -144 | 171.2 | -14 | -73.1 | -167.5 | 2.4 | 0 | 0 | 111.7 | | |
| 486 | S | 29.3 | Very low | 28.5 | Very low | 103 Ų | 103 | 133 Ų | 133 | 72% | 0.72 | 76% | 0.762 | S | S | * | * | | | trans | -51.9 | 174.8 | -179.9 | 63.5 | 0 | 0 | 0 | 0 | 117.1 | | |
| 487 | S | 28.8 | Very low | 28.6 | Very low | 108 Ų | 108 | 136 Ų | 136 | 76% | 0.755 | 77% | 0.768 | S | S | * | * | | | cis | -169.6 | 172.1 | 21.9 | -4.3 | 0 | 0 | 0 | 0 | 110.2 | | |
| 488 | A | 27.2 | Very low | 28.6 | Very low | 86 Ų | 86 | 137 Ų | 137 | 71% | 0.711 | 77% | 0.768 | S | S | * | * | | | cis | 179.3 | 159.5 | -27.6 | 0 | 0 | 0 | 0 | 0 | 110 | | |
| 489 | S | 30.5 | Very low | 29 | Very low | 101 Ų | 101 | 138.2 Ų | 138.2 | 71% | 0.706 | 77% | 0.767 | S | S | * | * | | | trans | 64.2 | 164.7 | 165.6 | -73 | 0 | 0 | 0 | 0 | 119.2 | | |
| 490 | E | 27.2 | Very low | 29.4 | Very low | 143 Ų | 143 | 136.8 Ų | 136.8 | 67% | 0.668 | 76% | 0.757 | S | S | * | * | | | cis | -155.2 | 142 | -32.9 | -109.2 | 165 | 134.2 | 0 | 0 | 107.8 | | |
| 491 | K | 30.6 | Very low | 29.7 | Very low | 178 Ų | 178 | 143 Ų | 143 | 77% | 0.774 | 77% | 0.765 | S | S | * | * | | | | 46.2 | 134.7 | 97.3 | -54.9 | -177.3 | -165.3 | 160.3 | 0 | 117.7 | | |
| 492 | E | 25.6 | Very low | 30.1 | Very low | 172 Ų | 172 | 145 Ų | 145 | 80% | 0.804 | 77% | 0.766 | S | S | * | * | | | trans | 90.8 | 96.7 | 147.6 | -153.7 | 156.6 | 174.9 | 0 | 0 | 121.2 | | |
| 493 | L | 27.8 | Very low | 30.5 | Very low | 156 Ų | 156 | 147.5 Ų | 147.5 | 82% | 0.817 | 77% | 0.768 | S | S | * | * | | | trans | 54 | 126.4 | 135.1 | -64.2 | 175.5 | 0 | 0 | 0 | 124.1 | | |
| 494 | A | 25 | Very low | 30.8 | Very low | 90 Ų | 90 | 146.2 Ų | 146.2 | 74% | 0.744 | 77% | 0.766 | S | S | * | * | | | trans | 92.4 | 137.4 | 132.1 | 0 | 0 | 0 | 0 | 0 | 122 | | |
| 495 | L | 26.3 | Very low | 31.7 | Very low | 162 Ų | 162 | 144.8 Ų | 144.8 | 85% | 0.848 | 76% | 0.758 | S | S | * | * | | | trans | 51.4 | 113.9 | 163.7 | -97.6 | 64.9 | 0 | 0 | 0 | 117.3 | | |
| 496 | L | 30.1 | Very low | 32.2 | Very low | 167 Ų | 167 | 144 Ų | 144 | 87% | 0.874 | 76% | 0.759 | S | S | * | * | | | | -153.1 | 161 | 68.7 | -87.8 | 164.7 | 0 | 0 | 0 | 113.1 | | |
| 497 | Q | 33.8 | Very low | 32.6 | Very low | 187 Ų | 187 | 144 Ų | 144 | 87% | 0.874 | 76% | 0.756 | S | S | * | * | | | trans | -76.9 | 155.1 | 163.7 | -66.6 | 167 | -47.8 | 0 | 0 | 109.3 | | |
| 498 | D | 28.6 | Very low | 33.4 | Very low | 153 Ų | 153 | 144.4 Ų | 144.4 | 82% | 0.818 | 75% | 0.753 | S | S | * | * | | | | -179.4 | 176.9 | 83.1 | -165.5 | 11.1 | 0 | 0 | 0 | 111.7 | | |
| 499 | V | 35.1 | Very low | 33.9 | Very low | 109 Ų | 109 | 146 Ų | 146 | 66% | 0.661 | 75% | 0.75 | S | S | * | * | | | trans | 77.1 | 85.2 | 167.6 | -164.8 | 0 | 0 | 0 | 0 | 118.4 | | |
| 500 | E | 34.8 | Very low | 34.9 | Very low | 166 Ų | 166 | 148.8 Ų | 148.8 | 78% | 0.776 | 75% | 0.753 | S | S | * | * | | | | 30 | 120.6 | 128.8 | -58.6 | -179.2 | 140.8 | 0 | 0 | 121 | | |
| 501 | R | 35.4 | Very low | 35.6 | Very low | 236 Ų | 236 | 146.7 Ų | 146.7 | 89% | 0.891 | 75% | 0.75 | S | S | * | * | | | | -159.1 | 114.5 | 103 | -112 | 167.7 | -63.6 | 110.5 | 11.6 | 112.7 | | |
| 502 | E | 34.6 | Very low | 36.2 | Very low | 168 Ų | 168 | 145 Ų | 145 | 79% | 0.785 | 75% | 0.749 | S | S | * | * | | | trans | -70.2 | 141.4 | 173.1 | -162.5 | 157.4 | -131.1 | 0 | 0 | 110.2 | D504 | E502-D504 WeakPolarHBondContact CG-OD1 3.26Š|
| 503 | K | 41.2 | Very low | 37 | Very low | 159 Ų | 159 | 142.8 Ų | 142.8 | 69% | 0.691 | 75% | 0.75 | S | S | * | * | | | trans | -143.5 | 77.5 | 179.2 | -168.3 | -161.1 | -177.8 | -126.5 | 0 | 110 | N505 | K503-N505 WeakPolarHBondContact CE-OD1 3.33Å; K503-N505 PolarHBondContact NZ-OD1 3.09Å; K503-N505 PolarHBondContact O-N 3.22Å; K503-N505 PolarHBondContact O-ND2 2.89Å |
| 504 | D | 37.4 | Very low | 37.4 | Very low | 131 Ų | 131 | 142 Ų | 142 | 70% | 0.701 | 75% | 0.745 | S | S | * | * | | | trans | -73.8 | 86.9 | -174.9 | -58.6 | -31.4 | 0 | 0 | 0 | 112.2 | E502 N506 | E502-D504 WeakPolarHBondContact CG-OD1 3.26Å; D504-N506 PolarHBondContact O-N 3.45Å |
| 505 | N | 45.8 | Very low | 38.3 | Very low | 99 Ų | 99 | 146.8 Ų | 146.8 | 53% | 0.529 | 75% | 0.752 | S | S | . | * | | | trans | -82.3 | 65.9 | 173.4 | -42.7 | -78.7 | 0 | 0 | 0 | 109.6 | K503 T507 | K503-N505 WeakPolarHBondContact CE-OD1 3.33Å; K503-N505 PolarHBondContact NZ-OD1 3.09Å; K503-N505 PolarHBondContact O-N 3.22Å; K503-N505 PolarHBondContact O-ND2 2.89Å; N505-T507 PolarHBondContact O-N 3.16Å |
| 506 | N | 42.1 | Very low | 38.7 | Very low | 150 Ų | 150 | 145.2 Ų | 145.2 | 80% | 0.802 | 74% | 0.743 | S | S | * | * | | | trans | -76.7 | 56.3 | 165.5 | -171.3 | 52.5 | 0 | 0 | 0 | 110.6 | D504 | D504-N506 PolarHBondContact O-N 3.45Š|
| 507 | T | 36.6 | Very low | 39.4 | Very low | 104 Ų | 104 | 141.4 Ų | 141.4 | 64% | 0.638 | 74% | 0.736 | S | S | * | * | | | trans | -92.7 | 109.3 | 166.8 | -54.4 | 0 | 0 | 0 | 0 | 106.4 | N505 D509 | N505-T507 PolarHBondContact O-N 3.16Å; T507-D509 HydrophobicContact CG2-CB 4.25Å; T507-D509 PolarHBondContact O-N 2.92Å |
| 508 | V | 45.2 | Very low | 39.4 | Very low | 116 Ų | 116 | 138.9 Ų | 138.9 | 70% | 0.703 | 73% | 0.728 | S | S | * | * | | | trans | -73.5 | 88.9 | 158.7 | 178.3 | 0 | 0 | 0 | 0 | 105.6 | M510 | V508-M510 HydrophobicContact CG1-SD 4.25Å; V508-M510 PolarHBondContact O-N 2.85Å |
| 509 | D | 37.7 | Very low | 39.8 | Very low | 119 Ų | 119 | 139.9 Ų | 139.9 | 64% | 0.636 | 73% | 0.728 | S | S | * | * | | | trans | -70 | 110.3 | 175.9 | -164.6 | 6.5 | 0 | 0 | 0 | 107.7 | T507 V511 | T507-D509 HydrophobicContact CG2-CB 4.25Å; T507-D509 PolarHBondContact O-N 2.92Å; D509-V511 HydrophobicContact CB-CG2 4.05Å; D509-V511 PolarHBondContact O-N 2.9Å |
| 510 | M | 52 | Low | 39.6 | Very low | 160 Ų | 160 | 140.8 Ų | 140.8 | 79% | 0.788 | 73% | 0.734 | S | S | * | * | | | trans | -79.4 | 67.6 | 175.5 | -71.3 | -62.8 | -57.4 | 0 | 0 | 108.1 | V508 D512 | V508-M510 HydrophobicContact CG1-SD 4.25Å; V508-M510 PolarHBondContact O-N 2.85Å; M510-D512 PolarHBondContact O-N 3.26Å; M510-D512 VanDerWaalsContact O-N 3.09Å |
| 511 | V | 42.1 | Very low | 39.5 | Very low | 99 Ų | 99 | 138.5 Ų | 138.5 | 60% | 0.6 | 73% | 0.732 | S | S | * | * | | | trans | -60.6 | 110.5 | 175.7 | 177.8 | 0 | 0 | 0 | 0 | 108.1 | D509 | D509-V511 HydrophobicContact CB-CG2 4.05Å; D509-V511 PolarHBondContact O-N 2.9Å |
| 512 | D | 43.4 | Very low | 39 | Very low | 141 Ų | 141 | 138 Ų | 138 | 75% | 0.754 | 73% | 0.73 | S | S | * | * | | | trans | -52.8 | 135.3 | 166.4 | -74.8 | -50.6 | 0 | 0 | 0 | 108.9 | M510 I514 | M510-D512 PolarHBondContact O-N 3.26Å; M510-D512 VanDerWaalsContact O-N 3.09Å; D512-I514 PolarHBondContact O-N 2.9Å |
| 513 | P | 41.9 | Very low | 38.8 | Very low | 126 Ų | 126 | 134.1 Ų | 134.1 | 82% | 0.818 | 71% | 0.714 | S | S | * | * | | | trans | -57.8 | 103.1 | 179.8 | -25.7 | 35.1 | 0 | 0 | 0 | 111.1 | E515 | P513-E515 PolarHBondContact O-N 3.01Š|
| 514 | I | 36 | Very low | 38.3 | Very low | 140 Ų | 140 | 134.1 Ų | 134.1 | 72% | 0.718 | 71% | 0.713 | S | S | * | * | | | trans | -66 | 134.2 | -178.9 | -140.1 | 165.4 | 0 | 0 | 0 | 108.6 | D512 I516 | D512-I514 PolarHBondContact O-N 2.9Å; I514-I516 VanDerWaalsContact C-N 3.34Å; I514-I516 HydrophobicContact CG2-CG2 3.87Å; I514-I516 PolarHBondContact O-N 2.77Å |
| 515 | E | 45 | Very low | 37.7 | Very low | 191 Ų | 191 | 132.8 Ų | 132.8 | 89% | 0.893 | 70% | 0.703 | S | S | * | * | | | trans | -67.2 | 93.5 | 175.1 | -73.7 | -173.1 | 116.1 | 0 | 0 | 109.4 | P513 A517 | P513-E515 PolarHBondContact O-N 3.01Å; E515-A517 PolarHBondContact O-N 2.98Å |
| 516 | I | 34.9 | Very low | 37.3 | Very low | 129 Ų | 129 | 133.1 Ų | 133.1 | 66% | 0.662 | 71% | 0.711 | S | S | * | * | | | trans | -73.4 | 79.8 | 169.7 | 50.1 | 166.9 | 0 | 0 | 0 | 110 | I514 D518 | I514-I516 VanDerWaalsContact C-N 3.34Å; I514-I516 HydrophobicContact CG2-CG2 3.87Å; I514-I516 PolarHBondContact O-N 2.77Å; I516-D518 PolarHBondContact O-N 2.94Å |
| 517 | A | 44.7 | Very low | 36.8 | Very low | 86 Ų | 86 | 131.1 Ų | 131.1 | 71% | 0.711 | 70% | 0.703 | S | S | * | * | | | trans | -68.8 | 68.2 | 161.6 | 0 | 0 | 0 | 0 | 0 | 110.1 | E515 E519 | E515-A517 PolarHBondContact O-N 2.98Å; A517-E519 PolarHBondContact O-N 2.9Å; A517-E519 VanDerWaalsContact O-N 3.09Å |
| 518 | D | 32.8 | Very low | 36.3 | Very low | 134 Ų | 134 | 132.1 Ų | 132.1 | 72% | 0.717 | 71% | 0.705 | S | S | * | * | | | trans | -80.9 | 81.9 | 177.4 | -85.5 | -20.4 | 0 | 0 | 0 | 110.8 | I516 | I516-D518 PolarHBondContact O-N 2.94Š|
| 519 | E | 37.9 | Very low | 35.5 | Very low | 175 Ų | 175 | 133.4 Ų | 133.4 | 82% | 0.818 | 71% | 0.708 | S | S | * | * | | | trans | -89.1 | 100.6 | 168.1 | 51.8 | 178.3 | 169 | 0 | 0 | 111.7 | A517 | A517-E519 PolarHBondContact O-N 2.9Å; A517-E519 VanDerWaalsContact O-N 3.09Å |
| 520 | T | 30.6 | Very low | 35 | Very low | 128 Ų | 128 | 130.7 Ų | 130.7 | 79% | 0.785 | 71% | 0.708 | S | S | * | * | | | trans | -128.1 | 72.3 | 173.9 | 67.7 | 0 | 0 | 0 | 0 | 113.6 | | |
| 521 | T | 31.7 | Very low | 33.9 | Very low | 118 Ų | 118 | 129 Ų | 129 | 72% | 0.724 | 71% | 0.712 | S | S | * | * | | | trans | 21.3 | 125.9 | 136.3 | -50.9 | 0 | 0 | 0 | 0 | 120 | I523 | T521-I523 HydrophobicContact CG2-CG1 4.48Š|
| 522 | W | 26.2 | Very low | 33.5 | Very low | 225 Ų | 225 | 132.1 Ų | 132.1 | 85% | 0.852 | 73% | 0.725 | S | S | * | * | | | trans | -144.6 | 83.9 | 139.5 | -169.6 | -92.4 | 0 | 0 | 0 | 113.8 | | |
| 523 | I | 30.1 | Very low | 33.2 | Very low | 87 Ų | 87 | 130.6 Ų | 130.6 | 45% | 0.446 | 72% | 0.722 | S | S | . | * | | | trans | 52.7 | 115.7 | 136.5 | -50.2 | 176.7 | 0 | 0 | 0 | 118.5 | T521 | T521-I523 HydrophobicContact CG2-CG1 4.48Š|
| 524 | K | 30.8 | Very low | 32.4 | Very low | 158 Ų | 158 | 131.9 Ų | 131.9 | 69% | 0.687 | 72% | 0.719 | S | S | * | * | | | | 175.1 | 123.6 | 98.3 | -151.3 | 170.9 | -179.1 | 178.9 | 0 | 116.1 | E431 | E431-K524 WeakPolarHBondContact OE1-CA 3.2Å; E431-K524 PolarHBondContact OE1-N 2.93Å |
| 525 | E | 24.7 | Very low | 32 | Very low | 104 Ų | 104 | 130.1 Ų | 130.1 | 49% | 0.486 | 72% | 0.715 | S | S | . | * | | | trans | -57.5 | 170.8 | 165.4 | -106.9 | -147.7 | 111.5 | 0 | 0 | 115.8 | E431 V527 | E431-E525 HydrophobicContact CB-CB 4.37Å; E431-E525 HydrophobicContact CB-CG 3.6Å; E431-E525 VanDerWaalsContact CD-N 3.34Å; E431-E525 HydrophobicContact CG-CB 4.24Å; E431-E525 HydrophobicContact CG-CG 3.93Å; E431-E525 PolarHBondContact OE1-N 3.3Å; E525-V527 WeakPolarHBondContact OE1-CG2 3.48Å |
| 526 | P | 36.3 | Very low | 31 | Very low | 106 Ų | 106 | 126.7 Ų | 126.7 | 69% | 0.688 | 70% | 0.703 | S | S | * | * | | | cis | -137.1 | 154.9 | 22.4 | 37.1 | -17 | 0 | 0 | 0 | 119.7 | | |
| 527 | V | 31.8 | Very low | 30.8 | Very low | 107 Ų | 107 | 129.4 Ų | 129.4 | 65% | 0.648 | 71% | 0.71 | S | S | * | * | | | | 22.5 | 135.5 | 122.1 | 153.3 | 0 | 0 | 0 | 0 | 118.5 | E525 | E525-V527 WeakPolarHBondContact OE1-CG2 3.48Š|
| 528 | D | 27.3 | Very low | 30.5 | Very low | 126 Ų | 126 | 130.4 Ų | 130.4 | 67% | 0.674 | 71% | 0.707 | S | S | * | * | | | cis | -162 | 174.4 | 26.8 | -148.2 | -11.2 | 0 | 0 | 0 | 116.3 | | |
| 529 | N | 27.3 | Very low | 30.5 | Very low | 143 Ų | 143 | 129.8 Ų | 129.8 | 77% | 0.765 | 71% | 0.713 | S | S | * | * | | | trans | 71.7 | 129.3 | 147.6 | -82.1 | -59.4 | 0 | 0 | 0 | 123.2 | | |
| 530 | G | 27.4 | Very low | 30.3 | Very low | 62 Ų | 62 | 124.6 Ų | 124.6 | 64% | 0.639 | 71% | 0.707 | S | S | * | * | | | | 129.7 | 74 | 124.6 | 0 | 0 | 0 | 0 | 0 | 121.6 | | |
| 531 | S | 28.3 | Very low | 30.6 | Very low | 125 Ų | 125 | 126.6 Ų | 126.6 | 87% | 0.874 | 71% | 0.711 | S | S | * | * | | | trans | 57.9 | 137 | 146.2 | 57.8 | 0 | 0 | 0 | 0 | 123.2 | | |
| 532 | L | 33.8 | Very low | 30.5 | Very low | 164 Ų | 164 | 124.2 Ų | 124.2 | 86% | 0.859 | 70% | 0.703 | S | S | * | * | | | trans | -55.2 | 161.4 | 156.8 | -75.9 | 165.3 | 0 | 0 | 0 | 112.1 | | |
| 533 | P | 38.5 | Very low | 30.8 | Very low | 108 Ų | 108 | 122.6 Ų | 122.6 | 70% | 0.701 | 70% | 0.702 | S | S | * | * | | | cis | -152.1 | -168.1 | 37.3 | 38.1 | -13.5 | 0 | 0 | 0 | 118.1 | | |
| 534 | M | 24.4 | Very low | 30.7 | Very low | 154 Ų | 154 | 123.6 Ų | 123.6 | 76% | 0.759 | 72% | 0.717 | S | S | * | * | | | trans | 80 | 112.9 | 140.6 | -115.9 | 56.6 | -175.8 | 0 | 0 | 122.7 | | |
| 535 | T | 26.8 | Very low | 31.1 | Very low | 103 Ų | 103 | 124.2 Ų | 124.2 | 63% | 0.632 | 73% | 0.726 | S | S | * | * | | | | 71 | 142 | 129.5 | 47.4 | 0 | 0 | 0 | 0 | 124.4 | | |
| 536 | D | 25.2 | Very low | 31.7 | Very low | 118 Ų | 118 | 127.9 Ų | 127.9 | 63% | 0.631 | 74% | 0.743 | S | S | * | * | | | trans | 71.9 | 147.2 | 149.6 | -61.8 | -14.9 | 0 | 0 | 0 | 118.5 | | |
| 537 | F | 30.2 | Very low | 31.6 | Very low | 187 Ų | 187 | 128.8 Ų | 128.8 | 82% | 0.82 | 74% | 0.743 | S | S | * | * | | | cis | -129.8 | 125.3 | 29.1 | -92.6 | -101.9 | 0 | 0 | 0 | 117.4 | | |
| 538 | V | 38.1 | Very low | 31.7 | Very low | 107 Ų | 107 | 127.7 Ų | 127.7 | 65% | 0.648 | 74% | 0.74 | S | S | * | * | | | | 58 | 114.4 | 122.2 | 179.2 | 0 | 0 | 0 | 0 | 120.4 | | |
| 539 | S | 34.1 | Very low | 32 | Very low | 121 Ų | 121 | 129.7 Ų | 129.7 | 85% | 0.846 | 75% | 0.745 | S | S | * | * | | | trans | -91.7 | 139.6 | 140.5 | -65.9 | 0 | 0 | 0 | 0 | 110.7 | | |
| 540 | G | 32.1 | Very low | 32.5 | Very low | 66 Ų | 66 | 131 Ų | 131 | 68% | 0.68 | 75% | 0.748 | S | S | * | * | | | trans | -89.4 | 155.7 | 147.3 | 0 | 0 | 0 | 0 | 0 | 108.9 | | |
| 541 | I | 37 | Very low | 33 | Very low | 170 Ų | 170 | 134.3 Ų | 134.3 | 87% | 0.872 | 76% | 0.76 | S | S | * | * | | | cis | -142.3 | 153.1 | 35.8 | -33 | 177.2 | 0 | 0 | 0 | 110 | | |
| 542 | A | 30.6 | Very low | 33.4 | Very low | 68 Ų | 68 | 137.3 Ų | 137.3 | 56% | 0.562 | 76% | 0.763 | S | S | * | * | | | trans | -71.4 | 172.2 | 175.1 | 0 | 0 | 0 | 0 | 0 | 112.5 | | |
| 543 | F | 31.7 | Very low | 33.4 | Very low | 190 Ų | 190 | 135 Ų | 135 | 83% | 0.833 | 76% | 0.76 | S | S | * | * | | | cis | -157 | 167.7 | 34.3 | -64.2 | -90.6 | 0 | 0 | 0 | 109.6 | | |
| 544 | S | 29 | Very low | 33.4 | Very low | 108 Ų | 108 | 135.7 Ų | 135.7 | 76% | 0.755 | 77% | 0.765 | S | S | * | * | | | cis | -163.4 | 174.1 | -8 | -110.1 | 0 | 0 | 0 | 0 | 109.1 | | |
| 545 | I | 37.8 | Very low | 34 | Very low | 172 Ų | 172 | 137 Ų | 137 | 88% | 0.882 | 77% | 0.774 | S | S | * | * | | | trans | -136.8 | 135 | 178.1 | -68.9 | 176.9 | 0 | 0 | 0 | 112.3 | | |
| 546 | E | 38.7 | Very low | 34.4 | Very low | 180 Ų | 180 | 136.8 Ų | 136.8 | 84% | 0.841 | 78% | 0.783 | S | S | * | * | | | trans | -167 | 135.6 | 160.6 | -179.6 | 161.5 | -137 | 0 | 0 | 106.4 | | |
| 547 | N | 33.3 | Very low | 35 | Very low | 126 Ų | 126 | 140.6 Ų | 140.6 | 67% | 0.674 | 80% | 0.797 | S | S | * | * | | | cis | -153.1 | 147 | 6.1 | -159 | 1.2 | 0 | 0 | 0 | 111 | | |
| 548 | S | 34.6 | Very low | 35.1 | Very low | 84 Ų | 84 | 137.5 Ų | 137.5 | 59% | 0.587 | 80% | 0.798 | S | S | * | * | | | trans | 43.9 | 162.6 | 145.8 | -145.2 | 0 | 0 | 0 | 0 | 120.7 | | |
| 549 | H | 32.8 | Very low | 34.8 | Very low | 167 Ų | 167 | 137.1 Ų | 137.1 | 77% | 0.773 | 80% | 0.8 | S | S | * | * | | | cis | -144.5 | 176.8 | 21.9 | -35.5 | -81.3 | 0 | 0 | 0 | 113.4 | | |
| 550 | M | 38.4 | Very low | 34.8 | Very low | 170 Ų | 170 | 137.8 Ų | 137.8 | 84% | 0.837 | 80% | 0.799 | S | S | * | * | | | trans | -74.3 | 150.9 | -178.6 | -59.1 | 154.2 | -76.4 | 0 | 0 | 114.4 | | |
| 551 | C | 37.4 | Very low | 35.1 | Very low | 133 Ų | 133 | 140.9 Ų | 140.9 | 90% | 0.899 | 80% | 0.799 | S | S | * | * | | | trans | -143.1 | 119.6 | 151.7 | -82.3 | 0 | 0 | 0 | 0 | 109.7 | | |
| 552 | M | 37.8 | Very low | 34.9 | Very low | 187 Ų | 187 | 138.5 Ų | 138.5 | 92% | 0.921 | 79% | 0.794 | S | S | * | * | | | trans | -101.7 | 140.6 | 162.6 | -71.3 | -175.3 | 72 | 0 | 0 | 108.9 | | |
| 553 | S | 33.1 | Very low | 35 | Very low | 116 Ų | 116 | 140.9 Ų | 140.9 | 81% | 0.811 | 81% | 0.805 | S | S | * | * | | | trans | -111.3 | 127.9 | 170.9 | -63.3 | 0 | 0 | 0 | 0 | 109.5 | | |
| 554 | P | 37.9 | Very low | 35 | Very low | 122 Ų | 122 | 140.9 Ų | 140.9 | 79% | 0.792 | 81% | 0.808 | S | S | * | * | | | trans | -80.2 | 148.5 | -176.5 | 32 | -34.8 | 0 | 0 | 0 | 112.4 | | |
| 555 | L | 36.8 | Very low | 35.3 | Very low | 181 Ų | 181 | 141.5 Ų | 141.5 | 95% | 0.948 | 81% | 0.812 | S | S | * | * | | | trans | -71.5 | 134.3 | 163.3 | -68 | 166.9 | 0 | 0 | 0 | 109.6 | | |
| 556 | A | 36.1 | Very low | 35.2 | Very low | 99 Ų | 99 | 138.8 Ų | 138.8 | 82% | 0.818 | 81% | 0.809 | S | S | * | * | | | trans | -145.3 | 84.5 | 173.1 | 0 | 0 | 0 | 0 | 0 | 109.7 | | |
| 557 | E | 37.2 | Very low | 34.9 | Very low | 199 Ų | 199 | 136.6 Ų | 136.6 | 93% | 0.93 | 80% | 0.803 | S | S | * | * | | | trans | -82.6 | 119.7 | 176.8 | -175.5 | -174.2 | 160.3 | 0 | 0 | 110.4 | | |
| 558 | S | 33.3 | Very low | 35.3 | Very low | 122 Ų | 122 | 138 Ų | 138 | 85% | 0.853 | 81% | 0.809 | S | S | * | * | | | trans | -155.7 | 131 | 160 | -151.9 | 0 | 0 | 0 | 0 | 112.2 | | |
| 559 | S | 31.6 | Very low | 35.7 | Very low | 98 Ų | 98 | 142 Ų | 142 | 69% | 0.685 | 82% | 0.818 | S | S | * | * | | | trans | -70.4 | 151.3 | -176.6 | -178.2 | 0 | 0 | 0 | 0 | 113.5 | | |
| 560 | V | 32.8 | Very low | 36.3 | Very low | 136 Ų | 136 | 142.8 Ų | 142.8 | 82% | 0.824 | 82% | 0.824 | S | S | * | * | | | | -166.5 | 132 | 115.2 | 143.3 | 0 | 0 | 0 | 0 | 109.8 | | |
| 561 | I | 39.1 | Very low | 36.1 | Very low | 131 Ų | 131 | 141.2 Ų | 141.2 | 67% | 0.672 | 82% | 0.819 | S | S | * | * | | | trans | -98.8 | 152.2 | 173.6 | -27 | 177.3 | 0 | 0 | 0 | 109 | | |
| 562 | P | 32.4 | Very low | 36.6 | Very low | 119 Ų | 119 | 140.2 Ų | 140.2 | 77% | 0.773 | 81% | 0.814 | S | S | * | * | | | | -123.8 | 134.8 | 127.3 | 34.4 | -29.4 | 0 | 0 | 0 | 111.5 | | |
| 563 | C | 32.5 | Very low | 36.6 | Very low | 119 Ų | 119 | 134 Ų | 134 | 80% | 0.804 | 80% | 0.798 | S | S | * | * | | | trans | -75.1 | 139.3 | 177.1 | -51.9 | 0 | 0 | 0 | 0 | 110.7 | | |
| 564 | E | 32.9 | Very low | 36.8 | Very low | 189 Ų | 189 | 139.8 Ų | 139.8 | 88% | 0.883 | 80% | 0.803 | S | S | * | * | | | trans | -137.2 | 143 | 163.8 | -161.2 | 154.7 | -129.2 | 0 | 0 | 110.7 | S566 | E564-S566 PolarHBondContact O-N 2.83Š|
| 565 | S | 33.8 | Very low | 37 | Very low | 122 Ų | 122 | 140 Ų | 140 | 85% | 0.853 | 80% | 0.798 | S | S | * | * | | | trans | -87.9 | 97.9 | -155.9 | -56.7 | 0 | 0 | 0 | 0 | 113.6 | N567 | S565-N567 PolarHBondContact O-N 3.47Š|
| 566 | S | 36.3 | Very low | 37.1 | Very low | 115 Ų | 115 | 138.1 Ų | 138.1 | 80% | 0.804 | 79% | 0.794 | S | S | * | * | | | trans | -73.9 | 108.5 | 170.4 | -72.7 | 0 | 0 | 0 | 0 | 112.1 | E564 I568 | E564-S566 PolarHBondContact O-N 2.83Å; S566-I568 PolarHBondContact O-N 2.85Å |
| 567 | N | 33.6 | Very low | 37.2 | Very low | 134 Ų | 134 | 141 Ų | 141 | 72% | 0.717 | 79% | 0.791 | S | S | * | * | | | trans | -68.3 | 107.8 | 171.4 | -178.9 | 2.5 | 0 | 0 | 0 | 110.4 | S565 Q569 | S565-N567 PolarHBondContact O-N 3.47Å; N567-Q569 VanDerWaalsContact C-N 3.32Å; N567-Q569 PolarHBondContact O-N 3.11Å |
| 568 | I | 41.8 | Very low | 37 | Very low | 155 Ų | 155 | 139 Ų | 139 | 80% | 0.795 | 79% | 0.786 | S | S | * | * | | | trans | -76.2 | 76.7 | 178.5 | 47.6 | 163.7 | 0 | 0 | 0 | 112.2 | S566 M570 | S566-I568 PolarHBondContact O-N 2.85Å; I568-M570 PolarHBondContact O-N 2.86Å |
| 569 | Q | 43 | Very low | 37.2 | Very low | 169 Ų | 169 | 138.5 Ų | 138.5 | 79% | 0.79 | 78% | 0.782 | S | S | * | * | | | trans | -72.5 | 114.4 | 159.1 | -66.2 | -169.7 | -103.2 | 0 | 0 | 109 | N567 D571 | N567-Q569 VanDerWaalsContact C-N 3.32Å; N567-Q569 PolarHBondContact O-N 3.11Å; Q569-D571 PolarHBondContact O-N 3.04Å |
| 570 | M | 44.4 | Very low | 37.2 | Very low | 183 Ų | 183 | 137.3 Ų | 137.3 | 90% | 0.901 | 78% | 0.784 | S | S | * | * | | | trans | -71.3 | 108.3 | 163.8 | -70.7 | -176.8 | 178.6 | 0 | 0 | 108.9 | I568 | I568-M570 PolarHBondContact O-N 2.86Š|
| 571 | D | 34.8 | Very low | 37.1 | Very low | 136 Ų | 136 | 136.6 Ų | 136.6 | 73% | 0.727 | 79% | 0.785 | S | S | * | * | | | trans | -94.4 | 156.2 | 142.3 | 96.9 | 57.7 | 0 | 0 | 0 | 109 | Q569 G573 | Q569-D571 PolarHBondContact O-N 3.04Å; D571-G573 WeakPolarHBondContact OD1-CA 3.19Å; D571-G573 PolarHBondContact OD1-N 2.9Å |
| 572 | S | 47.8 | Very low | 36.6 | Very low | 113 Ų | 113 | 137.6 Ų | 137.6 | 79% | 0.79 | 79% | 0.792 | S | S | * | * | | | trans | -128.7 | 48.7 | 175 | -65.1 | 0 | 0 | 0 | 0 | 109.9 | Y574 | S572-Y574 PolarHBondContact O-N 2.88Š|
| 573 | G | 38.2 | Very low | 36.7 | Very low | 56 Ų | 56 | 140 Ų | 140 | 58% | 0.577 | 80% | 0.797 | S | S | * | * | | | trans | -84.9 | 86.5 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112.3 | D571 N575 | D571-G573 WeakPolarHBondContact OD1-CA 3.19Å; D571-G573 PolarHBondContact OD1-N 2.9Å; G573-N575 PolarHBondContact O-N 3.45Å |
| 574 | Y | 35.9 | Very low | 37.1 | Very low | 237 Ų | 237 | 142.6 Ų | 142.6 | 93% | 0.929 | 80% | 0.799 | S | S | * | * | | | trans | -61.4 | 104.3 | 163.8 | -85.3 | -87.5 | 0 | 0 | 0 | 110.2 | S572 | S572-Y574 PolarHBondContact O-N 2.88Š|
| 575 | N | 41.8 | Very low | 37.1 | Very low | 128 Ų | 128 | 140.6 Ų | 140.6 | 68% | 0.684 | 80% | 0.795 | S | S | * | * | | | trans | -131.5 | 108.9 | 170.5 | -177.6 | 12.7 | 0 | 0 | 0 | 111.2 | G573 | G573-N575 PolarHBondContact O-N 3.45Š|
| 576 | T | 39 | Very low | 36.9 | Very low | 141 Ų | 141 | 140 Ų | 140 | 87% | 0.865 | 79% | 0.786 | S | S | * | * | | | trans | -104.4 | 76.1 | 177 | 45.3 | 0 | 0 | 0 | 0 | 111.6 | | |
| 577 | Q | 39.1 | Very low | 36.6 | Very low | 159 Ų | 159 | 141 Ų | 141 | 74% | 0.743 | 79% | 0.787 | S | S | * | * | | | trans | -102.7 | 98.1 | 166.7 | -81.8 | -164.4 | -9.8 | 0 | 0 | 112.3 | C579 | Q577-C579 PolarHBondContact O-N 3.09Š|
| 578 | N | 33.3 | Very low | 36.4 | Very low | 157 Ų | 157 | 138.3 Ų | 138.3 | 84% | 0.84 | 79% | 0.791 | S | S | * | * | | | trans | -80.8 | 93.7 | 168.1 | 176.4 | 83.3 | 0 | 0 | 0 | 110.2 | | |
| 579 | C | 36.6 | Very low | 35.9 | Very low | 112 Ų | 112 | 135.5 Ų | 135.5 | 76% | 0.757 | 79% | 0.79 | S | S | * | * | | | trans | -125.4 | 84.4 | 170.3 | -75.9 | 0 | 0 | 0 | 0 | 109.7 | Q577 | Q577-C579 PolarHBondContact O-N 3.09Š|
| 580 | G | 32 | Very low | 35.6 | Very low | 72 Ų | 72 | 136.2 Ų | 136.2 | 74% | 0.742 | 79% | 0.794 | S | S | * | * | | | trans | -76.4 | 123.8 | 176.8 | 0 | 0 | 0 | 0 | 0 | 112.1 | | |
| 581 | S | 31 | Very low | 34.9 | Very low | 121 Ų | 121 | 133.4 Ų | 133.4 | 85% | 0.846 | 79% | 0.792 | S | S | * | * | | | trans | -141.2 | 105 | 165.5 | -79.1 | 0 | 0 | 0 | 0 | 109.3 | | |
| 582 | N | 29.4 | Very low | 34.8 | Very low | 152 Ų | 152 | 137.3 Ų | 137.3 | 81% | 0.813 | 80% | 0.798 | S | S | * | * | | | trans | -82.5 | 113.6 | 174.8 | 172.2 | 15.7 | 0 | 0 | 0 | 109.9 | | |
| 583 | I | 33.3 | Very low | 33.9 | Very low | 169 Ų | 169 | 137.2 Ų | 137.2 | 87% | 0.867 | 80% | 0.797 | S | S | * | * | | | trans | -133.8 | 138.3 | 149.6 | 54.7 | 172.6 | 0 | 0 | 0 | 109.7 | | |
| 584 | M | 41 | Very low | 33.7 | Very low | 175 Ų | 175 | 141.7 Ų | 141.7 | 86% | 0.862 | 80% | 0.8 | S | S | * | * | | | trans | -117.7 | 106.8 | 176.1 | 173.8 | -172.2 | 72.3 | 0 | 0 | 107.6 | | |
| 585 | D | 32.8 | Very low | 33.3 | Very low | 147 Ų | 147 | 136.7 Ų | 136.7 | 79% | 0.786 | 79% | 0.785 | S | S | * | * | | | trans | -154.8 | -173.1 | 161.1 | -143.9 | -32.4 | 0 | 0 | 0 | 111 | | |
| 586 | T | 29.6 | Very low | 32.9 | Very low | 108 Ų | 108 | 134.7 Ų | 134.7 | 66% | 0.663 | 78% | 0.781 | S | S | * | * | | | trans | -123.3 | 178.5 | -146.2 | 54.3 | 0 | 0 | 0 | 0 | 114.4 | | |
| 587 | V | 31.1 | Very low | 32.4 | Very low | 138 Ų | 138 | 135.7 Ų | 135.7 | 84% | 0.836 | 78% | 0.781 | S | S | * | * | | | trans | 57.8 | 96.4 | 161.8 | -66.9 | 0 | 0 | 0 | 0 | 120.7 | | |
| 588 | G | 28.6 | Very low | 32.1 | Very low | 77 Ų | 77 | 132.5 Ų | 132.5 | 79% | 0.794 | 78% | 0.782 | S | S | * | * | | | | 82.4 | -170.6 | 106.8 | 0 | 0 | 0 | 0 | 0 | 120.4 | | |
| 589 | A | 32.3 | Very low | 32 | Very low | 95 Ų | 95 | 133.3 Ų | 133.3 | 79% | 0.785 | 78% | 0.781 | S | S | * | * | | | trans | 67.9 | 102.2 | -178.9 | 0 | 0 | 0 | 0 | 0 | 117.2 | | |
| 590 | E | 35.3 | Very low | 31.8 | Very low | 184 Ų | 184 | 133.7 Ų | 133.7 | 86% | 0.86 | 78% | 0.779 | S | S | * | * | | | trans | -58.2 | 156.8 | 160.4 | 57.9 | -100.9 | 99.6 | 0 | 0 | 113.8 | | |
| 591 | S | 30.1 | Very low | 31.7 | Very low | 124 Ų | 124 | 135.1 Ų | 135.1 | 87% | 0.867 | 78% | 0.777 | S | S | * | * | | | trans | -151.6 | 122.8 | 159.4 | -175.1 | 0 | 0 | 0 | 0 | 110.4 | | |
| 592 | Y | 33.8 | Very low | 31.7 | Very low | 218 Ų | 218 | 137.2 Ų | 137.2 | 86% | 0.855 | 77% | 0.773 | S | S | * | * | | | trans | -144.9 | 123.4 | -173.9 | -155.1 | -77.7 | 0 | 0 | 0 | 110.2 | | |
| 593 | C | 28.3 | Very low | 31.8 | Very low | 112 Ų | 112 | 136 Ų | 136 | 76% | 0.757 | 77% | 0.771 | S | S | * | * | | | trans | -143.2 | 122.1 | 168 | -80.1 | 0 | 0 | 0 | 0 | 106.9 | | |
| 594 | K | 33.8 | Very low | 31.6 | Very low | 150 Ų | 150 | 134.2 Ų | 134.2 | 65% | 0.652 | 76% | 0.759 | S | S | * | * | | | | 69 | 146.2 | 69.5 | -74.4 | -175.4 | 142.6 | -124.9 | 0 | 112.3 | | |
| 595 | E | 27.8 | Very low | 31 | Very low | 132 Ų | 132 | 130.7 Ų | 130.7 | 62% | 0.617 | 75% | 0.752 | S | S | * | * | | | cis | -165.2 | 147.9 | 31.9 | -157.2 | 64.7 | -61.8 | 0 | 0 | 106.9 | | |
| 596 | S | 32.3 | Very low | 30.9 | Very low | 86 Ų | 86 | 131.6 Ų | 131.6 | 60% | 0.601 | 75% | 0.749 | S | S | * | * | | | cis | -172.6 | -155.6 | -18.9 | -104.7 | 0 | 0 | 0 | 0 | 109.5 | | |
| 597 | D | 28.1 | Very low | 31 | Very low | 162 Ų | 162 | 131.5 Ų | 131.5 | 87% | 0.866 | 75% | 0.753 | S | S | * | * | | | trans | 75.6 | 141.1 | 166.2 | -66.1 | -7.5 | 0 | 0 | 0 | 118.4 | | |
| 598 | A | 34.7 | Very low | 30.9 | Very low | 91 Ų | 91 | 134.3 Ų | 134.3 | 75% | 0.752 | 76% | 0.757 | S | S | * | * | | | cis | -153.4 | 174.8 | -15 | 0 | 0 | 0 | 0 | 0 | 107.7 | | |
| 599 | Q | 31.3 | Very low | 30.9 | Very low | 175 Ų | 175 | 134.5 Ų | 134.5 | 82% | 0.818 | 75% | 0.751 | S | S | * | * | | | cis | -176 | 135.7 | 44 | 173.4 | 167.3 | 8 | 0 | 0 | 112.2 | | |
| 600 | T | 32.1 | Very low | 30.8 | Very low | 119 Ų | 119 | 138.5 Ų | 138.5 | 73% | 0.73 | 75% | 0.751 | S | S | * | * | | | trans | 16.3 | 156.7 | 152.1 | 61.4 | 0 | 0 | 0 | 0 | 123.3 | | |
| 601 | C | 29.5 | Very low | 30.6 | Very low | 102 Ų | 102 | 135.5 Ų | 135.5 | 69% | 0.689 | 74% | 0.74 | S | S | * | * | | | cis | -175.2 | -178.4 | 6.1 | -111.5 | 0 | 0 | 0 | 0 | 108.8 | | |
| 602 | E | 30.4 | Very low | 30.5 | Very low | 165 Ų | 165 | 136.7 Ų | 136.7 | 77% | 0.771 | 73% | 0.734 | S | S | * | * | | | cis | -169.7 | -160.7 | -23.9 | -148.6 | -179.4 | 123.5 | 0 | 0 | 109.5 | | |
| 603 | V | 31.3 | Very low | 30.4 | Very low | 127 Ų | 127 | 135.4 Ų | 135.4 | 77% | 0.77 | 73% | 0.733 | S | S | * | * | | | trans | 68.6 | 143.2 | 158.6 | 163.6 | 0 | 0 | 0 | 0 | 119.2 | | |
| 604 | E | 29.2 | Very low | 30.6 | Very low | 131 Ų | 131 | 137 Ų | 137 | 61% | 0.612 | 73% | 0.729 | S | S | * | * | | | cis | -165.7 | 111.1 | -27.5 | 177.6 | -178.5 | 167.4 | 0 | 0 | 108.1 | K606 | E604-K606 IonicContact OE1-NZ 2.63Å; E604-K606 PolarHBondContact OE1-NZ 2.95Å |
| 605 | S | 29 | Very low | 30.3 | Very low | 102 Ų | 102 | 136.9 Ų | 136.9 | 71% | 0.713 | 74% | 0.736 | S | S | * | * | | | | 86.7 | 154.6 | 90.7 | -49.9 | 0 | 0 | 0 | 0 | 119.7 | | |
| 606 | K | 30.1 | Very low | 30.8 | Very low | 166 Ų | 166 | 136.5 Ų | 136.5 | 72% | 0.722 | 73% | 0.734 | S | S | * | * | | | trans | 81.3 | 149 | 165.6 | -59.6 | 146.4 | -178.6 | 157.7 | 0 | 117.7 | E604 | E604-K606 IonicContact OE1-NZ 2.63Å; E604-K606 PolarHBondContact OE1-NZ 2.95Å |
| 607 | S | 32.7 | Very low | 30.9 | Very low | 106 Ų | 106 | 138.3 Ų | 138.3 | 74% | 0.741 | 74% | 0.741 | S | S | * | * | | | cis | -173.2 | 164.9 | -21.1 | -96.3 | 0 | 0 | 0 | 0 | 112.1 | | |
| 608 | Q | 28.3 | Very low | 31.2 | Very low | 196 Ų | 196 | 136.1 Ų | 136.1 | 92% | 0.916 | 73% | 0.734 | S | S | * | * | | | trans | 78.7 | 158.1 | 152.2 | -156.2 | 170.8 | 6.8 | 0 | 0 | 119.4 | | |
| 609 | A | 28.9 | Very low | 31.2 | Very low | 81 Ų | 81 | 139.2 Ų | 139.2 | 67% | 0.669 | 73% | 0.733 | S | S | * | * | | | | -166.6 | 179.8 | -80.1 | 0 | 0 | 0 | 0 | 0 | 112.5 | | |
| 610 | F | 30 | Very low | 31.2 | Very low | 180 Ų | 180 | 142 Ų | 142 | 79% | 0.789 | 74% | 0.736 | S | S | * | * | | | trans | 84.4 | 113.5 | 160.7 | -95.7 | -110.2 | 0 | 0 | 0 | 122 | | |
| 611 | N | 30 | Very low | 31.3 | Very low | 120 Ų | 120 | 141.2 Ų | 141.2 | 64% | 0.642 | 73% | 0.734 | S | S | * | * | | | trans | 61.9 | 165.2 | 131 | -75.5 | 7.9 | 0 | 0 | 0 | 122.2 | | |
| 612 | M | 29.8 | Very low | 31.4 | Very low | 150 Ų | 150 | 148.4 Ų | 148.4 | 74% | 0.739 | 75% | 0.747 | S | S | * | * | | | cis | 176.9 | 129.1 | -34.2 | 169.8 | 166.1 | 61.3 | 0 | 0 | 107.9 | | |
| 613 | K | 30.8 | Very low | 31.6 | Very low | 191 Ų | 191 | 149.1 Ų | 149.1 | 83% | 0.83 | 75% | 0.753 | S | S | * | * | | | trans | 176.4 | 169.8 | 130.9 | -102.4 | -163.1 | 173.5 | -158.6 | 0 | 114.1 | | |
| 614 | Q | 31.9 | Very low | 31.6 | Very low | 144 Ų | 144 | 151.8 Ų | 151.8 | 67% | 0.673 | 75% | 0.754 | S | S | * | * | | | trans | -138.6 | 147.8 | -172.2 | 148.1 | -169.1 | 57.2 | 0 | 0 | 106.9 | H616 | Q614-H616 VanDerWaalsContact CD-NE2 3.34Å; Q614-H616 WeakPolarHBondContact CG-NE2 2.97Å; Q614-H616 PolarHBondContact NE2-CE1 2.86Å; Q614-H616 VanDerWaalsContact NE2-CE1 3.32Å |
| 615 | D | 28.4 | Very low | 32 | Very low | 149 Ų | 149 | 151.6 Ų | 151.6 | 80% | 0.797 | 76% | 0.762 | S | S | * | * | | | trans | -157.9 | 167.8 | 158.5 | -112.6 | -47.3 | 0 | 0 | 0 | 112 | | |
| 616 | H | 38.3 | Very low | 32.1 | Very low | 123 Ų | 123 | 151.8 Ų | 151.8 | 57% | 0.569 | 77% | 0.769 | S | S | * | * | | | trans | -132.4 | 175.6 | -149.4 | -58.8 | -98.5 | 0 | 0 | 0 | 117.3 | Q614 | Q614-H616 VanDerWaalsContact CD-NE2 3.34Å; Q614-H616 WeakPolarHBondContact CG-NE2 2.97Å; Q614-H616 PolarHBondContact NE2-CE1 2.86Å; Q614-H616 VanDerWaalsContact NE2-CE1 3.32Å |
| 617 | T | 33.5 | Very low | 32.2 | Very low | 124 Ų | 124 | 149.3 Ų | 149.3 | 76% | 0.761 | 77% | 0.773 | S | S | * | * | | | trans | 85.3 | 142 | 154.1 | -7.8 | 0 | 0 | 0 | 0 | 115.1 | | |
| 618 | T | 34.7 | Very low | 32.9 | Very low | 117 Ų | 117 | 148.8 Ų | 148.8 | 72% | 0.718 | 77% | 0.767 | S | S | * | * | | | cis | -159.7 | 125.1 | 37.5 | -54.7 | 0 | 0 | 0 | 0 | 116.4 | | |
| 619 | Q | 34.1 | Very low | 33.2 | Very low | 156 Ų | 156 | 147.5 Ų | 147.5 | 73% | 0.729 | 76% | 0.759 | S | S | * | * | | | trans | 17.2 | 119.8 | 138 | -174.3 | -159.8 | 76.7 | 0 | 0 | 121.7 | | |
| 620 | R | 32.4 | Very low | 33.6 | Very low | 233 Ų | 233 | 151.8 Ų | 151.8 | 88% | 0.879 | 77% | 0.765 | S | S | * | * | | | | -169.1 | 159.7 | 115.3 | -121.1 | 173.3 | -86.9 | -166.6 | -5.2 | 113.7 | | |
| 621 | C | 33.4 | Very low | 33.7 | Very low | 102 Ų | 102 | 148.4 Ų | 148.4 | 69% | 0.689 | 76% | 0.762 | S | S | * | * | | | trans | -133 | 151 | -179.4 | 179.5 | 0 | 0 | 0 | 0 | 109.9 | | |
| 622 | W | 30.9 | Very low | 33.9 | Very low | 254 Ų | 254 | 148.3 Ų | 148.3 | 96% | 0.962 | 77% | 0.771 | S | S | * | * | | | trans | -179.1 | 171.6 | 136.7 | -89.5 | 118.6 | 0 | 0 | 0 | 109.5 | | |
| 623 | M | 34.7 | Very low | 34 | Very low | 179 Ų | 179 | 146.4 Ų | 146.4 | 88% | 0.882 | 77% | 0.772 | S | S | * | * | | | trans | -133.9 | 161.6 | -160.2 | -151 | -176.4 | -165.6 | 0 | 0 | 112.9 | | |
| 624 | K | 32.2 | Very low | 35.1 | Very low | 184 Ų | 184 | 146.9 Ų | 146.9 | 80% | 0.8 | 80% | 0.795 | S | S | * | * | | | trans | 91.4 | 92.8 | 151.2 | -161.5 | 165 | -177 | 175.2 | 0 | 120.9 | | |
| 625 | T | 38.7 | Very low | 35.3 | Very low | 127 Ų | 127 | 147 Ų | 147 | 78% | 0.779 | 80% | 0.801 | S | S | * | * | | | trans | 45.6 | 125.2 | 135.6 | 63.8 | 0 | 0 | 0 | 0 | 123 | | |
| 626 | A | 29.3 | Very low | 35.6 | Very low | 105 Ų | 105 | 146.9 Ų | 146.9 | 87% | 0.868 | 80% | 0.801 | S | S | * | * | | | trans | -152.7 | 148.4 | 134.7 | 0 | 0 | 0 | 0 | 0 | 111.1 | | |
| 627 | S | 32.9 | Very low | 35.5 | Very low | 114 Ų | 114 | 148.2 Ų | 148.2 | 80% | 0.797 | 81% | 0.814 | S | S | * | * | | | trans | -97.9 | -178.1 | 166.4 | 56.9 | 0 | 0 | 0 | 0 | 109.6 | | |
| 628 | P | 48.1 | Very low | 35.6 | Very low | 95 Ų | 95 | 149.6 Ų | 149.6 | 62% | 0.617 | 82% | 0.817 | S | S | * | * | | | cis | -136.2 | -172.5 | 5.4 | 43.2 | -25.1 | 0 | 0 | 0 | 114.8 | | |
| 629 | F | 34.8 | Very low | 35.7 | Very low | 169 Ų | 169 | 151.7 Ų | 151.7 | 74% | 0.741 | 82% | 0.824 | S | S | * | * | | | | 158.2 | 140.5 | 125.6 | -92 | -66.7 | 0 | 0 | 0 | 113.1 | | |
| 630 | Q | 35.8 | Very low | 35.8 | Very low | 172 Ų | 172 | 151.4 Ų | 151.4 | 80% | 0.804 | 83% | 0.83 | S | S | * | * | | | trans | 53.1 | 162.3 | 147.7 | -72.6 | 169.2 | -2 | 0 | 0 | 120.8 | | |
| 631 | C | 31.8 | Very low | 36 | Very low | 109 Ų | 109 | 145.6 Ų | 145.6 | 74% | 0.736 | 83% | 0.826 | S | S | * | * | | | cis | -177.1 | 159.1 | -44.7 | -111.4 | 0 | 0 | 0 | 0 | 108.1 | | |
| 632 | S | 34.6 | Very low | 36.2 | Very low | 117 Ų | 117 | 148.9 Ų | 148.9 | 82% | 0.818 | 84% | 0.837 | S | S | * | * | | | trans | 56.4 | 120.1 | 158.8 | 48.6 | 0 | 0 | 0 | 0 | 120 | | |
| 633 | S | 32.7 | Very low | 36.7 | Very low | 110 Ų | 110 | 140.2 Ų | 140.2 | 77% | 0.769 | 83% | 0.826 | S | S | * | * | | | trans | -73.1 | 170.5 | 163.2 | -29.5 | 0 | 0 | 0 | 0 | 112.9 | | |
| 634 | P | 54.3 | Low | 36.8 | Very low | 201 Ų | 201 | 136.6 Ų | 136.6 | 100% | 1.305 | 82% | 0.821 | S | S | * | * | | | | -84.9 | 0 | 129 | -8.6 | 27.6 | 0 | 0 | 0 | 111.3 | | |