| 1 | M | 45.4 | Very low | 44.2 | Very low | 236 Ų | 236 | 124 Ų | 124 | 100% | 1.163 | 80% | 0.804 | S | S | * | * | | | | 0 | 138.1 | 0 | 169.6 | 167.2 | 169.3 | 0 | 0 | 108.1 | | |
| 2 | A | 38.2 | Very low | 43.9 | Very low | 77 Ų | 77 | 120.6 Ų | 120.6 | 64% | 0.636 | 81% | 0.808 | S | S | * | * | | | trans | 27.5 | 147.4 | 146.1 | 0 | 0 | 0 | 0 | 0 | 121.7 | | |
| 3 | P | 46.5 | Very low | 43.6 | Very low | 122 Ų | 122 | 117.6 Ų | 117.6 | 79% | 0.792 | 81% | 0.811 | S | S | * | * | | | | -128.8 | -94.6 | -66.5 | 24.1 | -2.4 | 0 | 0 | 0 | 118 | | |
| 4 | P | 50.7 | Low | 43.5 | Very low | 94 Ų | 94 | 116.4 Ų | 116.4 | 61% | 0.61 | 81% | 0.813 | S | S | * | * | | | | -145.4 | -159.3 | -124.3 | 46.1 | -24.5 | 0 | 0 | 0 | 117 | | |
| 5 | L | 43.6 | Very low | 43.3 | Very low | 155 Ų | 155 | 115.4 Ų | 115.4 | 81% | 0.812 | 81% | 0.814 | S | S | * | * | | | trans | 67.1 | 129.9 | 156.6 | -64.7 | 166.6 | 0 | 0 | 0 | 116.4 | | |
| 6 | A | 45.1 | Very low | 43.1 | Very low | 91 Ų | 91 | 114.1 Ų | 114.1 | 75% | 0.752 | 80% | 0.804 | S | S | * | * | | | cis | 83.9 | 97.6 | 27.7 | 0 | 0 | 0 | 0 | 0 | 117 | | |
| 7 | G | 43.5 | Very low | 42.8 | Very low | 90 Ų | 90 | 118.4 Ų | 118.4 | 93% | 0.928 | 81% | 0.809 | S | S | * | * | | | | 86.1 | 154.2 | 125.1 | 0 | 0 | 0 | 0 | 0 | 120.7 | | |
| 8 | G | 44.7 | Very low | 42.6 | Very low | 86 Ų | 86 | 116.1 Ų | 116.1 | 89% | 0.887 | 80% | 0.799 | S | S | * | * | | | trans | 153.6 | 126 | 158.2 | 0 | 0 | 0 | 0 | 0 | 118.2 | | |
| 9 | G | 44.4 | Very low | 42.2 | Very low | 69 Ų | 69 | 122.4 Ų | 122.4 | 71% | 0.711 | 80% | 0.804 | S | S | * | * | | | trans | 113.5 | 117.4 | 160.7 | 0 | 0 | 0 | 0 | 0 | 114.9 | | |
| 10 | Q | 41.2 | Very low | 42 | Very low | 163 Ų | 163 | 122.1 Ų | 122.1 | 76% | 0.762 | 80% | 0.799 | S | S | * | * | | | | 75.4 | 140.6 | 53.5 | -63.6 | -174 | 31.8 | 0 | 0 | 113.5 | | |
| 11 | K | 42.4 | Very low | 42 | Very low | 181 Ų | 181 | 121.5 Ų | 121.5 | 79% | 0.787 | 80% | 0.795 | S | S | * | * | | | cis | -169.2 | 156.9 | 11.6 | -129.5 | 168.7 | -173.8 | 151.3 | 0 | 113.4 | | |
| 12 | G | 40.9 | Very low | 41.7 | Very low | 83 Ų | 83 | 116 Ų | 116 | 86% | 0.856 | 78% | 0.78 | S | S | * | * | | | trans | 81.5 | 156.9 | 158.3 | 0 | 0 | 0 | 0 | 0 | 116.9 | | |
| 13 | G | 40.9 | Very low | 41.6 | Very low | 82 Ų | 82 | 119.6 Ų | 119.6 | 85% | 0.845 | 79% | 0.787 | S | S | * | * | | | cis | 122.7 | 146.7 | 1 | 0 | 0 | 0 | 0 | 0 | 112.8 | | |
| 14 | A | 41 | Very low | 41.1 | Very low | 101 Ų | 101 | 123.8 Ų | 123.8 | 84% | 0.835 | 79% | 0.793 | S | S | * | * | | | cis | -169.9 | 166.9 | -8.6 | 0 | 0 | 0 | 0 | 0 | 111.5 | | |
| 15 | A | 40.8 | Very low | 40.6 | Very low | 101 Ų | 101 | 124.5 Ų | 124.5 | 84% | 0.835 | 80% | 0.796 | S | S | * | * | | | trans | 67.2 | 168.6 | 166.7 | 0 | 0 | 0 | 0 | 0 | 117.7 | | |
| 16 | S | 40.6 | Very low | 40.3 | Very low | 94 Ų | 94 | 120.4 Ų | 120.4 | 66% | 0.657 | 79% | 0.791 | S | S | * | * | | | cis | -159.6 | 149.3 | 8.8 | 51.5 | 0 | 0 | 0 | 0 | 114 | | |
| 17 | E | 37.7 | Very low | 40.2 | Very low | 188 Ų | 188 | 122.4 Ų | 122.4 | 88% | 0.879 | 79% | 0.794 | S | S | * | * | | | trans | 63.8 | 161.3 | 148.9 | -68.5 | -179.9 | 136.3 | 0 | 0 | 121.7 | | |
| 18 | A | 39 | Very low | 39.9 | Very low | 76 Ų | 76 | 123.2 Ų | 123.2 | 63% | 0.628 | 79% | 0.785 | S | S | * | * | | | cis | -171.7 | 150.4 | -29.6 | 0 | 0 | 0 | 0 | 0 | 113.1 | | |
| 19 | W | 35.2 | Very low | 39.5 | Very low | 236 Ų | 236 | 122 Ų | 122 | 89% | 0.894 | 77% | 0.772 | S | S | * | * | | | trans | 68.9 | 138.8 | 161.1 | -73.8 | 38.4 | 0 | 0 | 0 | 119.3 | | |
| 20 | V | 38.5 | Very low | 39.1 | Very low | 117 Ų | 117 | 123.6 Ų | 123.6 | 71% | 0.709 | 77% | 0.773 | S | S | * | * | | | cis | 104.3 | 138.5 | 24.6 | 160.5 | 0 | 0 | 0 | 0 | 112.7 | | |
| 21 | P | 41.7 | Very low | 38.7 | Very low | 109 Ų | 109 | 121.4 Ų | 121.4 | 71% | 0.708 | 77% | 0.771 | S | S | * | * | | | cis | -135.8 | 179.6 | -26.2 | 38 | -19.6 | 0 | 0 | 0 | 115 | | |
| 22 | S | 39.3 | Very low | 38.1 | Very low | 122 Ų | 122 | 117.9 Ų | 117.9 | 85% | 0.853 | 77% | 0.768 | S | S | * | * | | | | 173.7 | 143.1 | 127.3 | -81.1 | 0 | 0 | 0 | 0 | 116.5 | | |
| 23 | L | 35.1 | Very low | 37.7 | Very low | 152 Ų | 152 | 120.1 Ų | 120.1 | 80% | 0.796 | 77% | 0.765 | S | S | * | * | | | trans | -61.4 | 147.3 | -175.8 | -62.5 | 150.7 | 0 | 0 | 0 | 117.4 | V25 | L23-V25 HydrophobicContact CD2-CG2 4.45Š|
| 24 | F | 35.9 | Very low | 37.4 | Very low | 209 Ų | 209 | 119.4 Ų | 119.4 | 92% | 0.917 | 75% | 0.751 | S | S | * | * | | | | -153.3 | 165.3 | 114.3 | -134 | -99.1 | 0 | 0 | 0 | 111.8 | | |
| 25 | V | 41.3 | Very low | 36.9 | Very low | 109 Ų | 109 | 119.7 Ų | 119.7 | 66% | 0.661 | 75% | 0.754 | S | S | * | * | | | trans | -133.7 | 144.8 | -155.7 | 171.3 | 0 | 0 | 0 | 0 | 114.3 | L23 V27 | L23-V25 HydrophobicContact CD2-CG2 4.45Å; V25-V27 HydrophobicContact CG1-CG2 3.68Å |
| 26 | G | 37.7 | Very low | 36.6 | Very low | 70 Ų | 70 | 123.9 Ų | 123.9 | 72% | 0.722 | 75% | 0.753 | S | S | * | * | | | trans | 173.6 | 89.2 | 164.8 | 0 | 0 | 0 | 0 | 0 | 111.2 | | |
| 27 | V | 42.3 | Very low | 36.1 | Very low | 133 Ų | 133 | 125.1 Ų | 125.1 | 81% | 0.806 | 76% | 0.762 | S | S | * | * | | | | 67.3 | 126.8 | 70.4 | 176.9 | 0 | 0 | 0 | 0 | 111.6 | V25 | V25-V27 HydrophobicContact CG1-CG2 3.68Š|
| 28 | S | 36.9 | Very low | 36 | Very low | 106 Ų | 106 | 124.1 Ų | 124.1 | 74% | 0.741 | 76% | 0.762 | S | S | * | * | | | cis | -170.2 | 159.6 | -11.7 | -176.3 | 0 | 0 | 0 | 0 | 106.6 | | |
| 29 | G | 37.8 | Very low | 35.9 | Very low | 60 Ų | 60 | 126.6 Ų | 126.6 | 62% | 0.619 | 77% | 0.769 | S | S | * | * | | | cis | -150.1 | 174.2 | 7.1 | 0 | 0 | 0 | 0 | 0 | 111.4 | | |
| 30 | S | 35.4 | Very low | 36 | Very low | 103 Ų | 103 | 120.9 Ų | 120.9 | 72% | 0.72 | 76% | 0.762 | S | S | * | * | | | | 82.6 | 128.2 | 56.3 | -56.4 | 0 | 0 | 0 | 0 | 112.6 | | |
| 31 | T | 32.5 | Very low | 35.8 | Very low | 117 Ų | 117 | 123 Ų | 123 | 72% | 0.718 | 77% | 0.768 | S | S | * | * | | | cis | -170.9 | 150.5 | 1 | 12.6 | 0 | 0 | 0 | 0 | 111.2 | | |
| 32 | C | 29.1 | Very low | 35.5 | Very low | 108 Ų | 108 | 123.8 Ų | 123.8 | 73% | 0.73 | 77% | 0.772 | S | S | * | * | | | trans | 68 | 158.4 | 142.8 | -66 | 0 | 0 | 0 | 0 | 118.5 | | |
| 33 | T | 32.2 | Very low | 35.5 | Very low | 129 Ų | 129 | 123 Ų | 123 | 79% | 0.791 | 77% | 0.774 | S | S | * | * | | | cis | -162 | 173.4 | -5.2 | 10.7 | 0 | 0 | 0 | 0 | 111.8 | | |
| 34 | A | 35.8 | Very low | 35.5 | Very low | 67 Ų | 67 | 127.8 Ų | 127.8 | 55% | 0.554 | 78% | 0.781 | S | S | * | * | | | trans | 83.5 | 86.7 | 143.8 | 0 | 0 | 0 | 0 | 0 | 119.6 | K36 | A34-K36 HydrophobicContact CB-CG 4.24Š|
| 35 | A | 30.5 | Very low | 35.6 | Very low | 108 Ų | 108 | 123.2 Ų | 123.2 | 89% | 0.893 | 78% | 0.775 | S | S | * | * | | | trans | -62.6 | 141.4 | 132.9 | 0 | 0 | 0 | 0 | 0 | 109.6 | | |
| 36 | K | 34.8 | Very low | 35.4 | Very low | 188 Ų | 188 | 122.1 Ų | 122.1 | 82% | 0.817 | 77% | 0.773 | S | S | * | * | | | trans | -139.6 | 90.6 | 175.3 | -80.8 | -176.5 | 179.6 | 178.3 | 0 | 112.3 | A34 | A34-K36 HydrophobicContact CB-CG 4.24Š|
| 37 | S | 30.2 | Very low | 35.4 | Very low | 121 Ų | 121 | 129.2 Ų | 129.2 | 85% | 0.846 | 78% | 0.778 | S | S | * | * | | | trans | -90.5 | 110.9 | 141.1 | 178.2 | 0 | 0 | 0 | 0 | 107 | | |
| 38 | L | 34.3 | Very low | 35.2 | Very low | 167 Ų | 167 | 130.3 Ų | 130.3 | 87% | 0.874 | 78% | 0.778 | S | S | * | * | | | trans | -155.8 | 134.3 | 159.6 | -146.1 | 72 | 0 | 0 | 0 | 114.1 | | |
| 39 | V | 38 | Very low | 35.1 | Very low | 128 Ų | 128 | 130.8 Ų | 130.8 | 78% | 0.776 | 78% | 0.781 | S | S | * | * | | | trans | -61.5 | 155.2 | 173.5 | 164.8 | 0 | 0 | 0 | 0 | 111.8 | | |
| 40 | P | 37.7 | Very low | 34.8 | Very low | 116 Ų | 116 | 133 Ų | 133 | 75% | 0.753 | 79% | 0.794 | S | S | * | * | | | trans | -92.4 | 164.7 | -156.1 | 36.5 | -37.2 | 0 | 0 | 0 | 115.6 | | |
| 41 | I | 33.4 | Very low | 35.1 | Very low | 162 Ų | 162 | 132.9 Ų | 132.9 | 83% | 0.831 | 80% | 0.799 | S | S | * | * | | | trans | -136.5 | 128.6 | 168.8 | -59.5 | -178.9 | 0 | 0 | 0 | 109.9 | | |
| 42 | P | 36.5 | Very low | 35.3 | Very low | 124 Ų | 124 | 137.2 Ų | 137.2 | 81% | 0.805 | 80% | 0.802 | S | S | * | * | | | trans | -89.7 | 155.3 | 174.8 | 35.5 | -34.3 | 0 | 0 | 0 | 113 | | |
| 43 | A | 37.9 | Very low | 35.7 | Very low | 107 Ų | 107 | 137.4 Ų | 137.4 | 88% | 0.884 | 80% | 0.796 | S | S | * | * | | | trans | -128.8 | 153 | 174 | 0 | 0 | 0 | 0 | 0 | 112 | | |
| 44 | R | 34.8 | Very low | 36 | Very low | 251 Ų | 251 | 138.6 Ų | 138.6 | 95% | 0.947 | 79% | 0.793 | S | S | * | * | | | trans | -149.4 | 121 | -155.9 | 178.7 | -165.7 | -172.7 | -155.5 | 7.3 | 113.4 | | |
| 45 | S | 38.9 | Very low | 36.1 | Very low | 113 Ų | 113 | 141 Ų | 141 | 79% | 0.79 | 80% | 0.801 | S | S | * | * | | | trans | -171.7 | 139.7 | 163.4 | -176 | 0 | 0 | 0 | 0 | 109.1 | | |
| 46 | S | 37.5 | Very low | 36.4 | Very low | 87 Ų | 87 | 143 Ų | 143 | 61% | 0.608 | 80% | 0.796 | S | S | * | * | | | cis | -157 | 153.8 | -12.6 | 46.8 | 0 | 0 | 0 | 0 | 108 | | |
| 47 | R | 37.2 | Very low | 36.3 | Very low | 219 Ų | 219 | 143.8 Ų | 143.8 | 83% | 0.826 | 80% | 0.799 | S | S | * | * | | | | -169.9 | 149.1 | 84.6 | -99 | 173.5 | -92.3 | -138.9 | -3.8 | 113.9 | | |
| 48 | L | 37.8 | Very low | 36.7 | Very low | 156 Ų | 156 | 142.7 Ų | 142.7 | 82% | 0.817 | 80% | 0.797 | S | S | * | * | | | trans | 58.1 | 110 | 154.7 | -86.5 | 68.1 | 0 | 0 | 0 | 121.1 | | |
| 49 | S | 34.6 | Very low | 36.9 | Very low | 116 Ų | 116 | 142.6 Ų | 142.6 | 81% | 0.811 | 80% | 0.797 | S | S | * | * | | | | 71.1 | 85.5 | 118.4 | -167.8 | 0 | 0 | 0 | 0 | 119.8 | | |
| 50 | A | 31.4 | Very low | 37 | Very low | 107 Ų | 107 | 142.1 Ų | 142.1 | 88% | 0.884 | 80% | 0.796 | S | S | * | * | | | trans | -124.3 | 132.3 | 149 | 0 | 0 | 0 | 0 | 0 | 109.8 | | |
| 51 | A | 41.7 | Very low | 37.1 | Very low | 99 Ų | 99 | 141.1 Ų | 141.1 | 82% | 0.818 | 80% | 0.798 | S | S | * | * | | | trans | -161.9 | 142.2 | -179.6 | 0 | 0 | 0 | 0 | 0 | 108.8 | | |
| 52 | R | 37.1 | Very low | 37.4 | Very low | 208 Ų | 208 | 138 Ų | 138 | 79% | 0.785 | 80% | 0.797 | S | S | * | * | | | cis | -168.2 | 156.6 | -14.1 | -162.9 | -161 | 156.9 | 118.7 | -0.3 | 106.8 | | |
| 53 | N | 37.9 | Very low | 37.6 | Very low | 112 Ų | 112 | 137.4 Ų | 137.4 | 60% | 0.599 | 80% | 0.795 | S | S | * | * | | | trans | 69.7 | 159 | 171.7 | -41.1 | -33.2 | 0 | 0 | 0 | 113.7 | | |
| 54 | E | 38.1 | Very low | 38 | Very low | 155 Ų | 155 | 141.1 Ų | 141.1 | 72% | 0.724 | 79% | 0.794 | S | S | * | * | | | cis | -166.6 | 172 | -33.4 | -112.8 | 157.9 | 172.6 | 0 | 0 | 108.7 | | |
| 55 | T | 38.8 | Very low | 38.5 | Very low | 118 Ų | 118 | 133.7 Ų | 133.7 | 72% | 0.724 | 78% | 0.779 | S | S | * | * | | | trans | 60.3 | 121.6 | 155.2 | 47.8 | 0 | 0 | 0 | 0 | 122 | | |
| 56 | L | 35.7 | Very low | 38.9 | Very low | 150 Ų | 150 | 134.8 Ų | 134.8 | 79% | 0.785 | 78% | 0.78 | S | S | * | * | | | trans | 76.5 | 121.9 | 131.2 | -65.6 | 168.8 | 0 | 0 | 0 | 122 | | |
| 57 | F | 32.8 | Very low | 39.3 | Very low | 203 Ų | 203 | 138 Ų | 138 | 89% | 0.89 | 79% | 0.789 | S | S | * | * | | | trans | -3.7 | 120.2 | 136.4 | -69.2 | -99.3 | 0 | 0 | 0 | 117.9 | | |
| 58 | A | 38.1 | Very low | 39.5 | Very low | 98 Ų | 98 | 133 Ų | 133 | 81% | 0.81 | 79% | 0.785 | S | S | * | * | | | | -177.7 | 139.4 | 126.5 | 0 | 0 | 0 | 0 | 0 | 113.1 | | |
| 59 | L | 39.7 | Very low | 39.3 | Very low | 166 Ų | 166 | 130.7 Ų | 130.7 | 87% | 0.869 | 78% | 0.782 | S | S | * | * | | | trans | -79.6 | 155 | 149.9 | -64.6 | 172.6 | 0 | 0 | 0 | 107.3 | | |
| 60 | P | 40 | Very low | 39.3 | Very low | 117 Ų | 117 | 130.5 Ų | 130.5 | 76% | 0.76 | 78% | 0.78 | S | S | * | * | | | | -161.8 | 169.5 | 55.2 | 44.5 | -22.7 | 0 | 0 | 0 | 120.8 | | |
| 61 | A | 38.4 | Very low | 39.8 | Very low | 96 Ų | 96 | 130 Ų | 130 | 79% | 0.793 | 78% | 0.776 | S | S | * | * | | | trans | 60.5 | 169.3 | 135.4 | 0 | 0 | 0 | 0 | 0 | 124.5 | | |
| 62 | A | 40.2 | Very low | 39.6 | Very low | 97 Ų | 97 | 132.2 Ų | 132.2 | 80% | 0.802 | 77% | 0.77 | S | S | * | * | | | trans | 77 | 131.3 | 170.4 | 0 | 0 | 0 | 0 | 0 | 116.9 | | |
| 63 | S | 41.2 | Very low | 39.8 | Very low | 111 Ų | 111 | 130.5 Ų | 130.5 | 78% | 0.776 | 77% | 0.768 | S | S | * | * | | | cis | -148.1 | 136.3 | -5 | -47.1 | 0 | 0 | 0 | 0 | 108.2 | | |
| 64 | E | 45.8 | Very low | 39.9 | Very low | 184 Ų | 184 | 131.3 Ų | 131.3 | 86% | 0.86 | 77% | 0.771 | S | S | * | * | | | | 80.3 | 163.4 | 78.6 | -117.4 | -149.2 | 118.9 | 0 | 0 | 114.7 | | |
| 65 | P | 45.2 | Very low | 40.4 | Very low | 95 Ų | 95 | 131.5 Ų | 131.5 | 62% | 0.617 | 77% | 0.774 | S | S | * | * | | | | -130.7 | -167.3 | -111.9 | 42.9 | -25.1 | 0 | 0 | 0 | 115 | | |
| 66 | V | 46.8 | Very low | 40.4 | Very low | 137 Ų | 137 | 132.4 Ų | 132.4 | 83% | 0.83 | 77% | 0.774 | S | S | * | * | | | trans | 175.1 | 151.9 | 135.4 | 147.8 | 0 | 0 | 0 | 0 | 112.3 | | |
| 67 | I | 46.2 | Very low | 40.5 | Very low | 154 Ų | 154 | 132.4 Ų | 132.4 | 79% | 0.79 | 77% | 0.774 | S | S | * | * | | | trans | -143.9 | 131.7 | -168.8 | -64 | 164.9 | 0 | 0 | 0 | 106.9 | | |
| 68 | P | 41.8 | Very low | 40.6 | Very low | 114 Ų | 114 | 130.9 Ų | 130.9 | 74% | 0.74 | 77% | 0.767 | S | S | * | * | | | | -161.2 | 146.2 | 84.3 | 40.8 | -18.4 | 0 | 0 | 0 | 121.2 | | |
| 69 | S | 32.9 | Very low | 40.7 | Very low | 107 Ų | 107 | 133.6 Ų | 133.6 | 75% | 0.748 | 76% | 0.763 | S | S | * | * | | | | 55.6 | 137.2 | 124.9 | -144.2 | 0 | 0 | 0 | 0 | 125.5 | | |
| 70 | S | 36.2 | Very low | 40.6 | Very low | 112 Ų | 112 | 134.3 Ų | 134.3 | 78% | 0.783 | 76% | 0.762 | S | S | * | * | | | trans | 86.7 | 155.6 | 138.2 | -68.4 | 0 | 0 | 0 | 0 | 123.4 | | |
| 71 | A | 40.9 | Very low | 40.5 | Very low | 97 Ų | 97 | 134 Ų | 134 | 80% | 0.802 | 76% | 0.76 | S | S | * | * | | | trans | 77.4 | 147.8 | 167.9 | 0 | 0 | 0 | 0 | 0 | 118.6 | | |
| 72 | E | 38.8 | Very low | 40.4 | Very low | 145 Ų | 145 | 132.2 Ų | 132.2 | 68% | 0.678 | 75% | 0.751 | S | S | * | * | | | cis | 178 | 139.3 | -32.3 | 163.7 | 173 | 153.1 | 0 | 0 | 107.9 | | |
| 73 | K | 39.6 | Very low | 39.9 | Very low | 172 Ų | 172 | 134.5 Ų | 134.5 | 75% | 0.748 | 75% | 0.749 | S | S | * | * | | | trans | 59.4 | 171 | 169.7 | -78 | 175 | 179.2 | 121.9 | 0 | 115.6 | | |
| 74 | I | 41 | Very low | 39.6 | Very low | 129 Ų | 129 | 135 Ų | 135 | 66% | 0.662 | 75% | 0.748 | S | S | * | * | | | cis | -136.1 | 160.4 | -13.5 | 7.8 | 157.1 | 0 | 0 | 0 | 105 | | |
| 75 | M | 47.9 | Very low | 38.9 | Very low | 160 Ų | 160 | 132.7 Ų | 132.7 | 79% | 0.788 | 75% | 0.746 | S | S | * | * | | | cis | -128.8 | 172.6 | 17.1 | -57.1 | 176.7 | -167.8 | 0 | 0 | 108.3 | | |
| 76 | D | 38.8 | Very low | 38.3 | Very low | 136 Ų | 136 | 132.9 Ų | 132.9 | 73% | 0.727 | 75% | 0.75 | S | S | * | * | | | cis | 61.2 | 133.8 | 40.4 | -80.5 | -55.1 | 0 | 0 | 0 | 115.2 | | |
| 77 | L | 38.7 | Very low | 37.7 | Very low | 150 Ų | 150 | 131.7 Ų | 131.7 | 79% | 0.785 | 75% | 0.748 | S | S | * | * | | | cis | 172.8 | 167.2 | -30.4 | -124.4 | 169.4 | 0 | 0 | 0 | 105.2 | | |
| 78 | K | 35.5 | Very low | 37 | Very low | 171 Ų | 171 | 127.5 Ų | 127.5 | 74% | 0.743 | 74% | 0.742 | S | S | * | * | | | trans | 68.2 | 154.8 | 173.8 | -75.2 | -179.6 | 148.7 | -148 | 0 | 116.4 | | |
| 79 | E | 39.5 | Very low | 36.5 | Very low | 156 Ų | 156 | 130.1 Ų | 130.1 | 73% | 0.729 | 75% | 0.745 | S | S | * | * | | | cis | -130.5 | -173.3 | 8.8 | -144.8 | 144.2 | -139.3 | 0 | 0 | 113.6 | | |
| 80 | Q | 36.7 | Very low | 36.4 | Very low | 181 Ų | 181 | 133 Ų | 133 | 85% | 0.846 | 75% | 0.746 | S | S | * | * | | | trans | -112.8 | -147.6 | -158.4 | -153.8 | -156.1 | 6.3 | 0 | 0 | 112.8 | | |
| 81 | P | 38.7 | Very low | 36.5 | Very low | 111 Ų | 111 | 133.7 Ų | 133.7 | 72% | 0.721 | 74% | 0.741 | S | S | * | * | | | | -114.2 | 164.4 | -127.2 | 40.4 | -24.4 | 0 | 0 | 0 | 116.9 | | |
| 82 | G | 36.1 | Very low | 36 | Very low | 57 Ų | 57 | 137.9 Ų | 137.9 | 59% | 0.588 | 74% | 0.742 | S | S | * | * | | | trans | 179.1 | 118.6 | 165.2 | 0 | 0 | 0 | 0 | 0 | 108.3 | | |
| 83 | N | 29.6 | Very low | 36 | Very low | 145 Ų | 145 | 136 Ų | 136 | 78% | 0.775 | 74% | 0.742 | S | S | * | * | | | | 81 | 141.4 | 62.5 | 90.5 | -37.9 | 0 | 0 | 0 | 114.3 | | |
| 84 | T | 34.4 | Very low | 35.6 | Very low | 122 Ų | 122 | 132.9 Ų | 132.9 | 75% | 0.748 | 74% | 0.742 | S | S | * | * | | | trans | 60.9 | 126.7 | 179.1 | 55.5 | 0 | 0 | 0 | 0 | 116.8 | | |
| 85 | V | 32.6 | Very low | 35.5 | Very low | 136 Ų | 136 | 133.1 Ų | 133.1 | 82% | 0.824 | 75% | 0.749 | S | S | * | * | | | cis | 109.8 | 134.8 | 25.5 | 163.1 | 0 | 0 | 0 | 0 | 112.2 | | |
| 86 | S | 32.6 | Very low | 34.8 | Very low | 99 Ų | 99 | 132.3 Ų | 132.3 | 69% | 0.692 | 75% | 0.747 | S | S | * | * | | | trans | 84.4 | 135.6 | 163.7 | -165.9 | 0 | 0 | 0 | 0 | 119.5 | | |
| 87 | S | 33.6 | Very low | 34.4 | Very low | 112 Ų | 112 | 135.2 Ų | 135.2 | 78% | 0.783 | 75% | 0.754 | S | S | * | * | | | trans | 55.8 | 134.8 | 148.1 | 51.9 | 0 | 0 | 0 | 0 | 119.6 | | |
| 88 | G | 31.1 | Very low | 34.2 | Very low | 66 Ų | 66 | 136.9 Ų | 136.9 | 68% | 0.68 | 76% | 0.758 | S | S | * | * | | | cis | 138.6 | 172 | 10.6 | 0 | 0 | 0 | 0 | 0 | 110.2 | | |
| 89 | Q | 30.7 | Very low | 34.2 | Very low | 169 Ų | 169 | 134.3 Ų | 134.3 | 79% | 0.79 | 76% | 0.756 | S | S | * | * | | | trans | 62.1 | 120.8 | -165.9 | -87.7 | 176.4 | -101.2 | 0 | 0 | 112.5 | | |
| 90 | E | 31.6 | Very low | 34.2 | Very low | 167 Ų | 167 | 131.7 Ų | 131.7 | 78% | 0.78 | 76% | 0.761 | S | S | * | * | | | | 58.8 | 96.5 | 54.3 | -52.9 | -178.1 | 129.3 | 0 | 0 | 112.2 | | |
| 91 | D | 37.9 | Very low | 34.5 | Very low | 126 Ų | 126 | 127.4 Ų | 127.4 | 67% | 0.674 | 76% | 0.757 | S | S | * | * | | | | -176.8 | 117.2 | 116.4 | -94.7 | -20.8 | 0 | 0 | 0 | 113.8 | | |
| 92 | F | 31.3 | Very low | 34.4 | Very low | 186 Ų | 186 | 127.7 Ų | 127.7 | 82% | 0.816 | 76% | 0.761 | S | S | * | * | | | trans | 63 | 160.6 | 142.7 | -70.5 | -63.8 | 0 | 0 | 0 | 120.8 | | |
| 93 | P | 38.6 | Very low | 34.5 | Very low | 106 Ų | 106 | 132.6 Ų | 132.6 | 69% | 0.688 | 77% | 0.773 | S | S | * | * | | | trans | -132.7 | -158.4 | -132.9 | 45.6 | -28.9 | 0 | 0 | 0 | 114 | | |
| 94 | S | 31.2 | Very low | 34.8 | Very low | 106 Ų | 106 | 131.1 Ų | 131.1 | 74% | 0.741 | 77% | 0.771 | S | S | * | * | | | trans | 100.2 | 123.3 | 166.7 | -40.4 | 0 | 0 | 0 | 0 | 115.1 | | |
| 95 | V | 38 | Very low | 34.8 | Very low | 134 Ų | 134 | 130 Ų | 130 | 81% | 0.812 | 77% | 0.769 | S | S | * | * | | | | -178.7 | 153.9 | 104.7 | 151.7 | 0 | 0 | 0 | 0 | 109.6 | | |
| 96 | L | 34.2 | Very low | 34.9 | Very low | 143 Ų | 143 | 130.7 Ų | 130.7 | 75% | 0.749 | 77% | 0.767 | S | S | * | * | | | trans | -26.1 | 138.7 | -177 | -75.6 | 81.6 | 0 | 0 | 0 | 118.3 | | |
| 97 | F | 30.6 | Very low | 34.9 | Very low | 197 Ų | 197 | 131.1 Ų | 131.1 | 86% | 0.864 | 77% | 0.77 | S | S | * | * | | | | 61.5 | 111.3 | 68.3 | -95.5 | -82.8 | 0 | 0 | 0 | 114.9 | | |
| 98 | E | 34.3 | Very low | 35.1 | Very low | 185 Ų | 185 | 131.1 Ų | 131.1 | 86% | 0.864 | 77% | 0.767 | S | S | * | * | | | | -164 | 167.6 | 122.6 | -128.2 | -171.3 | 105.2 | 0 | 0 | 113.9 | | |
| 99 | T | 34.5 | Very low | 35.2 | Very low | 117 Ų | 117 | 135.3 Ų | 135.3 | 72% | 0.718 | 77% | 0.773 | S | S | * | * | | | trans | 74.8 | 76.8 | 159.7 | -37.3 | 0 | 0 | 0 | 0 | 121.4 | | |
| 100 | A | 41 | Very low | 35.1 | Very low | 100 Ų | 100 | 132 Ų | 132 | 83% | 0.826 | 77% | 0.769 | S | S | * | * | | | | 80.3 | 155.9 | 123.5 | 0 | 0 | 0 | 0 | 0 | 124.5 | | |
| 101 | A | 42.7 | Very low | 35.1 | Very low | 92 Ų | 92 | 129.8 Ų | 129.8 | 76% | 0.76 | 77% | 0.767 | S | S | * | * | | | trans | 92.7 | 60.3 | 159.1 | 0 | 0 | 0 | 0 | 0 | 122.2 | | |
| 102 | S | 36.3 | Very low | 34.8 | Very low | 116 Ų | 116 | 130.1 Ų | 130.1 | 81% | 0.811 | 77% | 0.773 | S | S | * | * | | | | 64.3 | 78.5 | 125.6 | -50 | 0 | 0 | 0 | 0 | 122.8 | | |
| 103 | L | 37.6 | Very low | 34.8 | Very low | 161 Ų | 161 | 126.6 Ų | 126.6 | 84% | 0.843 | 77% | 0.771 | S | S | * | * | | | | 18.5 | 159.2 | 108.4 | -67.3 | 176.8 | 0 | 0 | 0 | 121.5 | | |
| 104 | P | 37 | Very low | 34.5 | Very low | 113 Ų | 113 | 131.1 Ų | 131.1 | 73% | 0.734 | 78% | 0.781 | S | S | * | * | | | cis | -139.2 | 168.7 | -7.2 | 33.7 | -11.7 | 0 | 0 | 0 | 118.6 | | |
| 105 | S | 34 | Very low | 34.7 | Very low | 99 Ų | 99 | 136.4 Ų | 136.4 | 69% | 0.692 | 79% | 0.79 | S | S | * | * | | | trans | -69 | 177 | 156.9 | 46.1 | 0 | 0 | 0 | 0 | 114.6 | | |
| 106 | L | 34.6 | Very low | 34.6 | Very low | 151 Ų | 151 | 136.7 Ų | 136.7 | 79% | 0.791 | 78% | 0.783 | S | S | * | * | | | cis | -172.4 | 138 | -10.9 | -105.3 | 164.4 | 0 | 0 | 0 | 108.7 | | |
| 107 | S | 31.7 | Very low | 34.6 | Very low | 108 Ų | 108 | 135.3 Ų | 135.3 | 76% | 0.755 | 77% | 0.772 | S | S | * | * | | | trans | 46.9 | -169.8 | 151.2 | -46.1 | 0 | 0 | 0 | 0 | 120 | | |
| 108 | P | 39.4 | Very low | 34.9 | Very low | 111 Ų | 111 | 128.1 Ų | 128.1 | 72% | 0.721 | 75% | 0.754 | S | S | * | * | | | cis | -127.9 | -178 | -28.2 | 40.9 | -24.8 | 0 | 0 | 0 | 115.5 | | |
| 109 | L | 31.9 | Very low | 35.1 | Very low | 154 Ų | 154 | 127.3 Ų | 127.3 | 81% | 0.806 | 74% | 0.744 | S | S | * | * | | | trans | 63.8 | 104 | 146.8 | -81.2 | 163.3 | 0 | 0 | 0 | 124.4 | | |
| 110 | S | 28.7 | Very low | 35.2 | Very low | 100 Ų | 100 | 129 Ų | 129 | 70% | 0.699 | 75% | 0.748 | S | S | * | * | | | | 75.8 | 149.9 | 126.9 | 83.7 | 0 | 0 | 0 | 0 | 124.2 | | |
| 111 | T | 32.5 | Very low | 35.1 | Very low | 120 Ų | 120 | 126.7 Ų | 126.7 | 74% | 0.736 | 73% | 0.734 | S | S | * | * | | | trans | 86.5 | 95.4 | 147.2 | -46.1 | 0 | 0 | 0 | 0 | 120.8 | | |
| 112 | V | 31.1 | Very low | 34.8 | Very low | 133 Ų | 133 | 129.1 Ų | 129.1 | 81% | 0.806 | 73% | 0.734 | S | S | * | * | | | trans | 38 | 114.7 | 132.1 | -171.4 | 0 | 0 | 0 | 0 | 119.6 | | |
| 113 | S | 31.4 | Very low | 34.8 | Very low | 112 Ų | 112 | 130.8 Ų | 130.8 | 78% | 0.783 | 73% | 0.733 | S | S | * | * | | | | -179.5 | 168.8 | 97.5 | -155.2 | 0 | 0 | 0 | 0 | 114.3 | | |
| 114 | F | 31.6 | Very low | 34.4 | Very low | 202 Ų | 202 | 128.5 Ų | 128.5 | 89% | 0.886 | 73% | 0.731 | S | S | * | * | | | trans | -74.5 | 144.3 | 176.8 | -74.2 | -119.6 | 0 | 0 | 0 | 113.3 | | |
| 115 | K | 36.5 | Very low | 34.2 | Very low | 216 Ų | 216 | 126.7 Ų | 126.7 | 94% | 0.939 | 73% | 0.725 | S | S | * | * | | | | -162.9 | 169.6 | 119.4 | -145.4 | 160.6 | -178.6 | 175.9 | 0 | 112.6 | | |
| 116 | E | 35.3 | Very low | 34.2 | Very low | 140 Ų | 140 | 128.5 Ų | 128.5 | 65% | 0.654 | 73% | 0.732 | S | S | * | * | | | trans | -125.5 | 175.6 | -167.7 | -149 | -162.7 | 130.9 | 0 | 0 | 112 | | |
| 117 | H | 34.7 | Very low | 34.1 | Very low | 114 Ų | 114 | 125.8 Ų | 125.8 | 53% | 0.528 | 73% | 0.731 | S | S | . | * | | | trans | 98.9 | 137.3 | 157.4 | -66.2 | 5.6 | 0 | 0 | 0 | 122.9 | A339 | H117-A339 CarbonylContact C-O 3.37Å; H117-A339 VanDerWaalsContact CA-N 3.34Å; H117-A339 HydrophobicContact CB-CB 4.29Å; H117-A339 VanDerWaalsContact CE1-CB 3.43Å; H117-A339 WeakPolarHBondContact CE1-CB 3.48Å; H117-A339 VanDerWaalsContact ND1-CB 3.3Å; H117-A339 WeakPolarHBondContact ND1-CB 3.25Å |
| 118 | G | 35.8 | Very low | 33.9 | Very low | 47 Ų | 47 | 125.2 Ų | 125.2 | 49% | 0.485 | 73% | 0.727 | S | S | . | * | | | trans | 160.9 | 35.8 | 168.8 | 0 | 0 | 0 | 0 | 0 | 122.5 | T338 A339 | G118-T338 CarbonylContact C-O 3.48Å; G118-A339 CarbonylContact C-O 3.58Å; G118-A339 VanDerWaalsContact C-O 3.22Å; G118-A339 WeakPolarHBondContact CA-O 3.31Å; G118-A339 PolarHBondContact N-O 2.63Å |
| 119 | Y | 38.6 | Very low | 33.7 | Very low | 168 Ų | 168 | 125.7 Ų | 125.7 | 66% | 0.659 | 73% | 0.728 | S | S | * | * | | | trans | -60.7 | 146.6 | -170 | -127.6 | -98 | 0 | 0 | 0 | 116.9 | T338 A339 | Y119-T338 WeakPolarHBondContact CA-O 3.46Å; Y119-T338 VanDerWaalsContact CB-O 3.27Å; Y119-T338 WeakPolarHBondContact CB-O 3.35Å; Y119-T338 WeakPolarHBondContact CD2-O 3.42Å; Y119-T338 VanDerWaalsContact N-C 3.3Å; Y119-T338 PolarHBondContact N-O 2.82Å; Y119-A339 HydrophobicContact CD2-CB 4.32Å; Y119-A339 PolarHBondContact N-O 3.32Å |
| 120 | L | 36.4 | Very low | 33.5 | Very low | 153 Ų | 153 | 126.9 Ų | 126.9 | 80% | 0.801 | 73% | 0.73 | S | S | * | * | | | trans | 172.1 | 149.6 | 135 | -127.1 | 125.9 | 0 | 0 | 0 | 111.5 | | |
| 121 | G | 39.7 | Very low | 33.8 | Very low | 51 Ų | 51 | 125.1 Ų | 125.1 | 53% | 0.526 | 73% | 0.727 | S | S | . | * | | | cis | 159.4 | 163.4 | -10.8 | 0 | 0 | 0 | 0 | 0 | 112.9 | | |
| 122 | N | 37.4 | Very low | 33.7 | Very low | 143 Ų | 143 | 125.8 Ų | 125.8 | 77% | 0.765 | 73% | 0.732 | S | S | * | * | | | trans | 71.6 | 153.5 | 165.9 | -60.4 | -22.8 | 0 | 0 | 0 | 120.6 | | |
| 123 | L | 34.5 | Very low | 34.1 | Very low | 150 Ų | 150 | 126 Ų | 126 | 79% | 0.785 | 73% | 0.726 | S | S | * | * | | | cis | -175.9 | 149.5 | -40.9 | -119.8 | 176.4 | 0 | 0 | 0 | 111.1 | | |
| 124 | S | 30.1 | Very low | 34.2 | Very low | 114 Ų | 114 | 128.1 Ų | 128.1 | 80% | 0.797 | 72% | 0.724 | S | S | * | * | | | trans | 69.9 | 162.4 | 158.1 | -123.6 | 0 | 0 | 0 | 0 | 117.6 | | |
| 125 | A | 32.4 | Very low | 34.2 | Very low | 75 Ų | 75 | 126.5 Ų | 126.5 | 62% | 0.62 | 72% | 0.719 | S | S | * | * | | | cis | -160.1 | 165.9 | 4.3 | 0 | 0 | 0 | 0 | 0 | 114.3 | | |
| 126 | V | 33.4 | Very low | 33.9 | Very low | 136 Ų | 136 | 121.8 Ų | 121.8 | 82% | 0.824 | 71% | 0.709 | S | S | * | * | | | trans | 73.4 | 110.4 | 139.6 | 169.5 | 0 | 0 | 0 | 0 | 121.6 | | |
| 127 | A | 32.7 | Very low | 34.1 | Very low | 94 Ų | 94 | 122.3 Ų | 122.3 | 78% | 0.777 | 72% | 0.715 | S | S | * | * | | | trans | 60 | 162.8 | 130.5 | 0 | 0 | 0 | 0 | 0 | 122.4 | | |
| 128 | S | 28.2 | Very low | 34.1 | Very low | 97 Ų | 97 | 122.7 Ų | 122.7 | 68% | 0.678 | 72% | 0.721 | S | S | * | * | | | cis | -177.8 | -176.8 | -30.3 | -169 | 0 | 0 | 0 | 0 | 107.9 | | |
| 129 | T | 34.4 | Very low | 33.8 | Very low | 120 Ų | 120 | 129.4 Ų | 129.4 | 74% | 0.736 | 74% | 0.74 | S | S | * | * | | | trans | 64.5 | 157.9 | 161 | 53.5 | 0 | 0 | 0 | 0 | 118.6 | | |
| 130 | E | 29.3 | Very low | 33.7 | Very low | 180 Ų | 180 | 125.8 Ų | 125.8 | 84% | 0.841 | 74% | 0.744 | S | S | * | * | | | cis | -173.7 | 162.3 | -27.3 | -175.8 | 169.2 | 144.5 | 0 | 0 | 108.2 | | |
| 131 | G | 34 | Very low | 33.5 | Very low | 63 Ų | 63 | 123.6 Ų | 123.6 | 65% | 0.649 | 74% | 0.742 | S | S | * | * | | | trans | 106.7 | 112.6 | 170.8 | 0 | 0 | 0 | 0 | 0 | 113.4 | | |
| 132 | T | 30 | Very low | 33 | Very low | 134 Ų | 134 | 131.7 Ų | 131.7 | 82% | 0.822 | 76% | 0.757 | S | S | * | * | | | cis | 85.9 | 158.1 | 42.7 | -52.3 | 0 | 0 | 0 | 0 | 112.5 | | |
| 133 | I | 39.2 | Very low | 32.7 | Very low | 136 Ų | 136 | 131.3 Ų | 131.3 | 70% | 0.697 | 75% | 0.751 | S | S | * | * | | | trans | 90.1 | 93.8 | -177.6 | -58.9 | 175 | 0 | 0 | 0 | 111.4 | | |
| 134 | E | 33.7 | Very low | 32.5 | Very low | 158 Ų | 158 | 131.8 Ų | 131.8 | 74% | 0.738 | 75% | 0.753 | S | S | * | * | | | | 88.4 | 148.7 | 84.8 | -82.4 | 166.5 | -158 | 0 | 0 | 112 | | |
| 135 | E | 32.9 | Very low | 32.9 | Very low | 168 Ų | 168 | 131.6 Ų | 131.6 | 79% | 0.785 | 75% | 0.749 | S | S | * | * | | | cis | -153.3 | 165.8 | -14.3 | -135.8 | 176.8 | 178.6 | 0 | 0 | 112 | | |
| 136 | T | 28.6 | Very low | 32.9 | Very low | 116 Ų | 116 | 135.5 Ų | 135.5 | 71% | 0.712 | 76% | 0.755 | S | S | * | * | | | trans | -48.5 | 136 | 166.4 | -53.4 | 0 | 0 | 0 | 0 | 114.1 | | |
| 137 | L | 39.2 | Very low | 32.8 | Very low | 152 Ų | 152 | 138.9 Ų | 138.9 | 80% | 0.796 | 75% | 0.752 | S | S | * | * | | | trans | -155.6 | 110.3 | 146.2 | -106 | -177.7 | 0 | 0 | 0 | 113.2 | | |
| 138 | N | 35.5 | Very low | 33.1 | Very low | 122 Ų | 122 | 139 Ų | 139 | 65% | 0.652 | 75% | 0.753 | S | S | * | * | | | trans | 33.2 | 121.4 | 139.9 | -54.5 | 8.1 | 0 | 0 | 0 | 119 | | |
| 139 | E | 29.6 | Very low | 33.5 | Very low | 188 Ų | 188 | 139.9 Ų | 139.9 | 88% | 0.879 | 76% | 0.755 | S | S | * | * | | | | 68.2 | 92.9 | 68 | -169 | 175.2 | -175.3 | 0 | 0 | 114.6 | | |
| 140 | A | 35.8 | Very low | 33.7 | Very low | 91 Ų | 91 | 141.5 Ų | 141.5 | 75% | 0.752 | 76% | 0.759 | S | S | * | * | | | trans | -161 | 102.5 | 154.5 | 0 | 0 | 0 | 0 | 0 | 107.7 | | |
| 141 | S | 32.4 | Very low | 34.1 | Very low | 108 Ų | 108 | 137.7 Ų | 137.7 | 76% | 0.755 | 75% | 0.75 | S | S | * | * | | | | 82.2 | 80.3 | 71.4 | 70.7 | 0 | 0 | 0 | 0 | 116.1 | | |
| 142 | R | 29.1 | Very low | 33.9 | Very low | 221 Ų | 221 | 144.7 Ų | 144.7 | 83% | 0.834 | 76% | 0.763 | S | S | * | * | | | | 68.4 | 152.4 | 129.6 | -134.5 | -175.9 | -157.9 | -108.4 | 8.6 | 121.1 | | |
| 143 | E | 31.4 | Very low | 34.4 | Very low | 135 Ų | 135 | 144.5 Ų | 144.5 | 63% | 0.631 | 76% | 0.761 | S | S | * | * | | | trans | 88.9 | 135.3 | 161.2 | -54.1 | -66.8 | 130.3 | 0 | 0 | 120.7 | | |
| 144 | L | 30 | Very low | 34.1 | Very low | 159 Ų | 159 | 145.8 Ų | 145.8 | 83% | 0.832 | 77% | 0.769 | S | S | * | * | | | trans | 85.6 | 124.5 | 148.1 | -131.2 | 132.4 | 0 | 0 | 0 | 121.5 | | |
| 145 | P | 38.2 | Very low | 34 | Very low | 111 Ų | 111 | 149.5 Ų | 149.5 | 72% | 0.721 | 78% | 0.777 | S | S | * | * | | | trans | -116.3 | 152.5 | 178.3 | 40.2 | -30.9 | 0 | 0 | 0 | 115.3 | | |
| 146 | E | 34 | Very low | 34.1 | Very low | 157 Ų | 157 | 151.1 Ų | 151.1 | 73% | 0.734 | 78% | 0.784 | S | S | * | * | | | trans | -167.8 | 139.9 | 142.2 | -119.2 | -159.7 | 104 | 0 | 0 | 115 | | |
| 147 | R | 30.5 | Very low | 34.1 | Very low | 206 Ų | 206 | 150.9 Ų | 150.9 | 78% | 0.777 | 79% | 0.787 | S | S | * | * | | | trans | 61.9 | 93.9 | 130.1 | -162.2 | -162.6 | -153.4 | 117.8 | -5.6 | 122.7 | | |
| 148 | A | 38.9 | Very low | 33.9 | Very low | 96 Ų | 96 | 147.7 Ų | 147.7 | 79% | 0.793 | 78% | 0.783 | S | S | * | * | | | trans | -179 | 109.2 | 132.8 | 0 | 0 | 0 | 0 | 0 | 108.8 | | |
| 149 | T | 36.7 | Very low | 33.8 | Very low | 117 Ų | 117 | 149.7 Ų | 149.7 | 72% | 0.718 | 79% | 0.789 | S | S | * | * | | | | 67.1 | 90 | 57.6 | -48.4 | 0 | 0 | 0 | 0 | 115 | | |
| 150 | N | 38.7 | Very low | 34.1 | Very low | 154 Ų | 154 | 150.7 Ų | 150.7 | 82% | 0.824 | 79% | 0.79 | S | S | * | * | | | | -163.5 | 155.7 | 117.2 | -97.3 | -36.4 | 0 | 0 | 0 | 111.3 | | |
| 151 | P | 38.6 | Very low | 34.1 | Very low | 100 Ų | 100 | 150.3 Ų | 150.3 | 65% | 0.649 | 78% | 0.782 | S | S | * | * | | | trans | -124.9 | 147 | -156.8 | 38.9 | -23.8 | 0 | 0 | 0 | 116.2 | | |
| 152 | F | 29.6 | Very low | 34 | Very low | 209 Ų | 209 | 151 Ų | 151 | 92% | 0.917 | 78% | 0.782 | S | S | * | * | | | trans | -139.8 | 168.5 | 153.6 | -84.4 | -87.2 | 0 | 0 | 0 | 108.5 | | |
| 153 | V | 38.8 | Very low | 34.3 | Very low | 130 Ų | 130 | 148.4 Ų | 148.4 | 79% | 0.788 | 78% | 0.783 | S | S | * | * | | | trans | 68.5 | 76.7 | -177.2 | -164.9 | 0 | 0 | 0 | 0 | 115 | | |
| 154 | N | 33.9 | Very low | 34.4 | Very low | 163 Ų | 163 | 147.9 Ų | 147.9 | 87% | 0.872 | 78% | 0.781 | S | S | * | * | | | trans | 175.2 | 103.2 | 130.7 | -103.7 | -69.1 | 0 | 0 | 0 | 111.5 | | |
| 155 | R | 31.7 | Very low | 34.8 | Very low | 236 Ų | 236 | 151.6 Ų | 151.6 | 89% | 0.891 | 79% | 0.786 | S | S | * | * | | | trans | 180 | 93.3 | 149.4 | -176.4 | 176.3 | -174.9 | 175.8 | 0.5 | 110.6 | | |
| 156 | E | 35.4 | Very low | 34.5 | Very low | 203 Ų | 203 | 150.1 Ų | 150.1 | 95% | 0.949 | 78% | 0.778 | S | S | * | * | | | trans | -153 | 82.6 | 154.9 | -131.7 | 163 | -120 | 0 | 0 | 111.4 | | |
| 157 | S | 28.8 | Very low | 34.7 | Very low | 110 Ų | 110 | 150.6 Ų | 150.6 | 77% | 0.769 | 78% | 0.78 | S | S | * | * | | | trans | -149.5 | 155.1 | 156 | 51.8 | 0 | 0 | 0 | 0 | 107.3 | | |
| 158 | A | 33.6 | Very low | 34.9 | Very low | 86 Ų | 86 | 148.8 Ų | 148.8 | 71% | 0.711 | 78% | 0.782 | S | S | * | * | S | Bend | trans | 78.7 | 123.1 | -166.3 | 0 | 0 | 0 | 0 | 0 | 116.4 | | |
| 159 | E | 34.9 | Very low | 34.6 | Very low | 164 Ų | 164 | 147.4 Ų | 147.4 | 77% | 0.766 | 78% | 0.778 | S | S | * | * | | | trans | 67.4 | 86.2 | 140.6 | -62 | 170.4 | 145 | 0 | 0 | 119.9 | | |
| 160 | F | 34.5 | Very low | 34.5 | Very low | 209 Ų | 209 | 146.7 Ų | 146.7 | 92% | 0.917 | 78% | 0.778 | S | S | * | * | | | | -118.9 | 118.4 | 103.6 | -85.6 | -97.8 | 0 | 0 | 0 | 107.3 | | |
| 161 | S | 36.1 | Very low | 34 | Very low | 82 Ų | 82 | 144.4 Ų | 144.4 | 57% | 0.573 | 77% | 0.773 | S | S | * | * | | | | 71.2 | 85.6 | 58.5 | -55.6 | 0 | 0 | 0 | 0 | 110.4 | | |
| 162 | V | 31.4 | Very low | 33.6 | Very low | 124 Ų | 124 | 148.1 Ų | 148.1 | 75% | 0.752 | 78% | 0.78 | S | S | * | * | | | | 76.8 | 102.8 | 80.6 | 172.5 | 0 | 0 | 0 | 0 | 111.7 | E164 | V162-E164 HydrophobicContact CG1-CB 4.29Š|
| 163 | L | 34 | Very low | 33.9 | Very low | 166 Ų | 166 | 144.8 Ų | 144.8 | 87% | 0.869 | 77% | 0.772 | S | S | * | * | | | trans | -164 | 66.7 | 156.8 | -128.1 | 169.6 | 0 | 0 | 0 | 105.3 | | |
| 164 | E | 33.1 | Very low | 33.8 | Very low | 123 Ų | 123 | 141.5 Ų | 141.5 | 58% | 0.575 | 76% | 0.764 | S | S | * | * | | | | 59 | 86.7 | 81.4 | -166.4 | 171.4 | -161.9 | 0 | 0 | 111.9 | V162 S166 | V162-E164 HydrophobicContact CG1-CB 4.29Å; E164-S166 WeakPolarHBondContact CG-OG 3.3Å; E164-S166 VanDerWaalsContact OE1-CB 3.3Å; E164-S166 WeakPolarHBondContact OE1-CB 3.44Å; E164-S166 PolarHBondContact OE1-OG 2.67Å |
| 165 | Y | 38.2 | Very low | 33.8 | Very low | 238 Ų | 238 | 138.9 Ų | 138.9 | 93% | 0.933 | 76% | 0.759 | S | S | * | * | | | trans | -103.6 | 79 | 136.8 | -99 | -89.4 | 0 | 0 | 0 | 107.7 | | |
| 166 | S | 33.1 | Very low | 34.2 | Very low | 80 Ų | 80 | 134 Ų | 134 | 56% | 0.559 | 76% | 0.757 | S | S | * | * | | | trans | -65.9 | 127 | 152.5 | -69.9 | 0 | 0 | 0 | 0 | 107.5 | E164 | E164-S166 WeakPolarHBondContact CG-OG 3.3Å; E164-S166 VanDerWaalsContact OE1-CB 3.3Å; E164-S166 WeakPolarHBondContact OE1-CB 3.44Å; E164-S166 PolarHBondContact OE1-OG 2.67Å |
| 167 | E | 38.6 | Very low | 34 | Very low | 167 Ų | 167 | 133.6 Ų | 133.6 | 78% | 0.78 | 75% | 0.752 | S | S | * | * | | | | -147.5 | 161.5 | 120.2 | -157.8 | 150.9 | -166 | 0 | 0 | 111.4 | | |
| 168 | M | 33.8 | Very low | 34.3 | Very low | 167 Ų | 167 | 131.7 Ų | 131.7 | 82% | 0.823 | 75% | 0.75 | S | S | * | * | | | trans | -58.4 | 155.9 | -170.2 | -55.6 | 163.1 | -139.4 | 0 | 0 | 112.8 | | |
| 169 | G | 33.6 | Very low | 34.1 | Very low | 68 Ų | 68 | 136.7 Ų | 136.7 | 70% | 0.701 | 76% | 0.759 | S | S | * | * | | | cis | 126.9 | -166.5 | 10.2 | 0 | 0 | 0 | 0 | 0 | 110.8 | | |
| 170 | S | 33 | Very low | 34.1 | Very low | 102 Ų | 102 | 134.6 Ų | 134.6 | 71% | 0.713 | 76% | 0.762 | S | S | * | * | | | trans | 65.8 | 120.6 | -168 | -154.4 | 0 | 0 | 0 | 0 | 113.1 | | |
| 171 | S | 29.1 | Very low | 34.1 | Very low | 105 Ų | 105 | 129.2 Ų | 129.2 | 73% | 0.734 | 76% | 0.756 | S | S | * | * | | | cis | 69.1 | 156.6 | 38.1 | -49 | 0 | 0 | 0 | 0 | 114.8 | | |
| 172 | F | 30.2 | Very low | 33.8 | Very low | 178 Ų | 178 | 133.9 Ų | 133.9 | 78% | 0.781 | 77% | 0.771 | S | S | * | * | | | trans | 75.7 | 132.8 | -166.6 | -74 | -126.1 | 0 | 0 | 0 | 113.1 | | |
| 173 | N | 35.2 | Very low | 34 | Very low | 140 Ų | 140 | 134.5 Ų | 134.5 | 75% | 0.749 | 77% | 0.769 | S | S | * | * | | | cis | -149.5 | 148.7 | -12.6 | -113.3 | -8.1 | 0 | 0 | 0 | 107.1 | | |
| 174 | G | 38.5 | Very low | 34.1 | Very low | 61 Ų | 61 | 132.1 Ų | 132.1 | 63% | 0.629 | 76% | 0.761 | S | S | * | * | | | | 119.7 | 113.8 | 64.3 | 0 | 0 | 0 | 0 | 0 | 106.8 | | |
| 175 | S | 33 | Very low | 34.3 | Very low | 108 Ų | 108 | 133.8 Ų | 133.8 | 76% | 0.755 | 77% | 0.769 | S | S | * | * | | | | 59.5 | 122.6 | 100.3 | -155.2 | 0 | 0 | 0 | 0 | 113.5 | K177 | S175-K177 PolarHBondContact OG-N 2.64Š|
| 176 | P | 39.9 | Very low | 34.1 | Very low | 132 Ų | 132 | 128.3 Ų | 128.3 | 86% | 0.857 | 76% | 0.756 | S | S | * | * | | | | -124.1 | 121.5 | 78.7 | 8.3 | 12.3 | 0 | 0 | 0 | 113.8 | | |
| 177 | K | 30.9 | Very low | 34.3 | Very low | 196 Ų | 196 | 129.7 Ų | 129.7 | 85% | 0.852 | 76% | 0.761 | S | S | * | * | | | trans | -87 | 129.9 | 166.3 | 172.3 | -175.1 | 177.3 | -179.5 | 0 | 110.5 | S175 | S175-K177 PolarHBondContact OG-N 2.64Š|
| 178 | G | 36.6 | Very low | 34.1 | Very low | 70 Ų | 70 | 129.1 Ų | 129.1 | 72% | 0.722 | 76% | 0.756 | S | S | * | * | | | trans | 89.9 | 133 | 148.6 | 0 | 0 | 0 | 0 | 0 | 117.4 | | |
| 179 | E | 29.1 | Very low | 34.3 | Very low | 191 Ų | 191 | 128.3 Ų | 128.3 | 89% | 0.893 | 75% | 0.75 | S | S | * | * | | | trans | -61.2 | 137.9 | 153.6 | -57.1 | 162.1 | 97.4 | 0 | 0 | 109.8 | | |
| 180 | S | 34.1 | Very low | 34.2 | Very low | 120 Ų | 120 | 132 Ų | 132 | 84% | 0.839 | 75% | 0.75 | S | S | * | * | | | trans | -173.3 | 112.3 | 133.8 | -84.8 | 0 | 0 | 0 | 0 | 112.5 | | |
| 181 | A | 34.1 | Very low | 34.5 | Very low | 95 Ų | 95 | 134 Ų | 134 | 79% | 0.785 | 76% | 0.757 | S | S | * | * | | | trans | 19.1 | 109.7 | 145.2 | 0 | 0 | 0 | 0 | 0 | 120.4 | | |
| 182 | M | 30.9 | Very low | 34.9 | Very low | 180 Ų | 180 | 135 Ų | 135 | 89% | 0.887 | 75% | 0.753 | S | S | * | * | | | | 84 | 145 | 116.8 | -149.3 | 178.1 | -165 | 0 | 0 | 120.4 | | |
| 183 | L | 34.8 | Very low | 35.4 | Very low | 138 Ų | 138 | 131.1 Ų | 131.1 | 72% | 0.723 | 74% | 0.743 | S | S | * | * | | | trans | 88.6 | 79.5 | 151.3 | -140.3 | 143.8 | 0 | 0 | 0 | 119.8 | | |
| 184 | V | 37.3 | Very low | 35.4 | Very low | 115 Ų | 115 | 134 Ų | 134 | 70% | 0.697 | 74% | 0.744 | S | S | * | * | | | | 65.6 | 115.6 | 112.1 | 170.6 | 0 | 0 | 0 | 0 | 119.6 | | |
| 185 | E | 35.8 | Very low | 35.4 | Very low | 158 Ų | 158 | 135.8 Ų | 135.8 | 74% | 0.738 | 75% | 0.747 | S | S | * | * | | | trans | 97 | 119.1 | 134.2 | -170.6 | 169.7 | 171.9 | 0 | 0 | 122.3 | | |
| 186 | N | 34.8 | Very low | 35.8 | Very low | 123 Ų | 123 | 138.3 Ų | 138.3 | 66% | 0.658 | 74% | 0.744 | S | S | * | * | | | trans | 69.2 | 154.1 | 151.8 | -81.9 | -33.7 | 0 | 0 | 0 | 119.9 | | |
| 187 | T | 36.6 | Very low | 35.8 | Very low | 109 Ų | 109 | 136.3 Ų | 136.3 | 67% | 0.669 | 73% | 0.726 | S | S | * | * | | | cis | -155 | 154.8 | 8.4 | -2.9 | 0 | 0 | 0 | 0 | 112.3 | | |
| 188 | K | 35.2 | Very low | 36.2 | Very low | 156 Ų | 156 | 133.8 Ų | 133.8 | 68% | 0.678 | 72% | 0.715 | S | S | * | * | | | trans | 67.5 | 125.7 | 146 | -69.3 | -170.1 | 103 | 164.1 | 0 | 119.5 | | |
| 189 | E | 36.9 | Very low | 36.5 | Very low | 149 Ų | 149 | 138 Ų | 138 | 70% | 0.696 | 72% | 0.716 | S | S | * | * | | | | 71.7 | 143.9 | 79.7 | -66.1 | 167.8 | -143.5 | 0 | 0 | 112.9 | | |
| 190 | E | 33.3 | Very low | 36.9 | Very low | 147 Ų | 147 | 135.4 Ų | 135.4 | 69% | 0.687 | 71% | 0.708 | S | S | * | * | | | cis | -148.1 | 164.5 | 17.3 | -153.9 | -178.9 | 151.1 | 0 | 0 | 112.1 | | |
| 191 | V | 38.8 | Very low | 37.2 | Very low | 143 Ų | 143 | 136.5 Ų | 136.5 | 87% | 0.867 | 70% | 0.704 | S | S | * | * | | | trans | -128.9 | 132 | 174 | 172.4 | 0 | 0 | 0 | 0 | 110.9 | | |
| 192 | I | 37.1 | Very low | 37.3 | Very low | 127 Ų | 127 | 138.1 Ų | 138.1 | 65% | 0.651 | 70% | 0.704 | S | S | * | * | | | trans | -143.5 | 136.1 | -173.6 | -79.5 | 178.6 | 0 | 0 | 0 | 109 | | |
| 193 | V | 41 | Very low | 37.2 | Very low | 95 Ų | 95 | 134.3 Ų | 134.3 | 58% | 0.576 | 69% | 0.694 | S | S | * | * | | | cis | -169.4 | 153.6 | -12.4 | 69.3 | 0 | 0 | 0 | 0 | 111.8 | | |
| 194 | R | 34.4 | Very low | 37 | Very low | 202 Ų | 202 | 133.1 Ų | 133.1 | 76% | 0.762 | 70% | 0.697 | S | S | * | * | | | trans | 69.4 | 152.3 | 156.3 | -123.2 | 160.7 | -79.7 | 161.3 | -2 | 116.8 | | |
| 195 | S | 39.4 | Very low | 36.9 | Very low | 98 Ų | 98 | 132.2 Ų | 132.2 | 69% | 0.685 | 70% | 0.701 | S | S | * | * | | | cis | -145.6 | 140.9 | 18.2 | -44.2 | 0 | 0 | 0 | 0 | 110.7 | | |
| 196 | K | 40.2 | Very low | 36.8 | Very low | 160 Ų | 160 | 129 Ų | 129 | 70% | 0.696 | 70% | 0.701 | S | S | * | * | | | | 59.5 | 141.4 | 95.1 | -59.1 | -159.6 | 118.3 | -131.2 | 0 | 115.8 | | |
| 197 | D | 40.3 | Very low | 36.6 | Very low | 91 Ų | 91 | 130.5 Ų | 130.5 | 49% | 0.487 | 71% | 0.709 | S | S | . | * | | | cis | -158.3 | 125.2 | 4.1 | -118.6 | 10.6 | 0 | 0 | 0 | 110.8 | | |
| 198 | K | 40.7 | Very low | 36.6 | Very low | 143 Ų | 143 | 132.9 Ų | 132.9 | 62% | 0.622 | 71% | 0.712 | S | S | * | * | | | trans | 56.3 | -168.6 | 143.7 | -37.6 | 167.2 | -176.5 | 176.7 | 0 | 119.4 | | |
| 199 | E | 41 | Very low | 36.4 | Very low | 159 Ų | 159 | 131.8 Ų | 131.8 | 74% | 0.743 | 71% | 0.714 | S | S | * | * | | | cis | -125.9 | 132.6 | -12.3 | -79.3 | -175.9 | 179.4 | 0 | 0 | 107.4 | | |
| 200 | D | 39.3 | Very low | 36.5 | Very low | 136 Ų | 136 | 129.8 Ų | 129.8 | 73% | 0.727 | 71% | 0.714 | S | S | * | * | | | cis | -146.7 | -121.5 | -8.5 | -151.1 | 56 | 0 | 0 | 0 | 110.5 | | |
| 201 | L | 40 | Very low | 36.3 | Very low | 143 Ų | 143 | 130.3 Ų | 130.3 | 75% | 0.749 | 72% | 0.716 | S | S | * | * | | | cis | -157.3 | -147.3 | -2.1 | -140.4 | 175.8 | 0 | 0 | 0 | 109.4 | | |
| 202 | V | 36.5 | Very low | 36.1 | Very low | 129 Ų | 129 | 130.6 Ų | 130.6 | 78% | 0.782 | 71% | 0.708 | S | S | * | * | | | trans | -56.6 | 128.3 | -178.2 | 161.4 | 0 | 0 | 0 | 0 | 114.2 | | |
| 203 | C | 28.2 | Very low | 35.9 | Very low | 100 Ų | 100 | 129.5 Ų | 129.5 | 68% | 0.676 | 71% | 0.711 | S | S | * | * | | | cis | 89.1 | 104 | 3.7 | -137.2 | 0 | 0 | 0 | 0 | 119.7 | | |
| 204 | S | 31.2 | Very low | 35.8 | Very low | 113 Ų | 113 | 130.1 Ų | 130.1 | 79% | 0.79 | 72% | 0.718 | S | S | * | * | | | trans | 58.3 | 123.6 | 140.6 | 68.2 | 0 | 0 | 0 | 0 | 124.1 | | |
| 205 | A | 35.3 | Very low | 35.7 | Very low | 95 Ų | 95 | 125 Ų | 125 | 79% | 0.785 | 72% | 0.719 | S | S | * | * | | | trans | -152.1 | 129 | 136.8 | 0 | 0 | 0 | 0 | 0 | 107.2 | | |
| 206 | A | 32.1 | Very low | 35.2 | Very low | 90 Ų | 90 | 126 Ų | 126 | 74% | 0.744 | 72% | 0.72 | S | S | * | * | | | | 71.2 | 132.3 | 56.4 | 0 | 0 | 0 | 0 | 0 | 112.8 | | |
| 207 | L | 31.4 | Very low | 34.7 | Very low | 155 Ų | 155 | 124.8 Ų | 124.8 | 81% | 0.812 | 72% | 0.721 | S | S | * | * | | | cis | -165.4 | 174.4 | 0.1 | -114.7 | 172.6 | 0 | 0 | 0 | 110 | | |
| 208 | H | 36.3 | Very low | 34.2 | Very low | 159 Ų | 159 | 126 Ų | 126 | 74% | 0.736 | 73% | 0.732 | S | S | * | * | | | trans | 70.7 | 127.3 | 165.2 | -93.6 | -134 | 0 | 0 | 0 | 118.3 | | |
| 209 | N | 30.4 | Very low | 33.7 | Very low | 134 Ų | 134 | 127.3 Ų | 127.3 | 72% | 0.717 | 74% | 0.737 | S | S | * | * | | | | 94.2 | 154 | 64.7 | -123.7 | 17.9 | 0 | 0 | 0 | 111.2 | | |
| 210 | P | 39.5 | Very low | 33.2 | Very low | 107 Ų | 107 | 125.7 Ų | 125.7 | 70% | 0.695 | 74% | 0.738 | S | S | * | * | | | trans | -125.1 | -154.9 | -132.2 | 39.4 | -19.4 | 0 | 0 | 0 | 112.9 | | |
| 211 | Q | 30.2 | Very low | 32.9 | Very low | 157 Ų | 157 | 124.9 Ų | 124.9 | 73% | 0.734 | 74% | 0.738 | S | S | * | * | | | trans | 88.3 | 138.5 | 163.9 | -164.9 | 171.6 | -9.7 | 0 | 0 | 117.2 | | |
| 212 | E | 33.7 | Very low | 32.9 | Very low | 150 Ų | 150 | 125.4 Ų | 125.4 | 70% | 0.701 | 73% | 0.734 | S | S | * | * | | | trans | 62 | 86.9 | 156.6 | -81.3 | 162.7 | -151.4 | 0 | 0 | 122.3 | | |
| 213 | S | 33 | Very low | 32.7 | Very low | 103 Ų | 103 | 125.8 Ų | 125.8 | 72% | 0.72 | 73% | 0.727 | S | S | * | * | | | | 72.7 | -178 | 110 | 75.6 | 0 | 0 | 0 | 0 | 118.4 | | |
| 214 | P | 39.6 | Very low | 33 | Very low | 109 Ų | 109 | 128.7 Ų | 128.7 | 71% | 0.708 | 74% | 0.736 | S | S | * | * | | | | -130.8 | 174.6 | -76.8 | 39.7 | -24.1 | 0 | 0 | 0 | 113.5 | | |
| 215 | A | 30.9 | Very low | 33.4 | Very low | 95 Ų | 95 | 126.1 Ų | 126.1 | 79% | 0.785 | 73% | 0.728 | S | S | * | * | | | trans | 63.8 | 170.9 | 175 | 0 | 0 | 0 | 0 | 0 | 113.3 | | |
| 216 | T | 28.7 | Very low | 33.5 | Very low | 118 Ų | 118 | 128.6 Ų | 128.6 | 72% | 0.724 | 73% | 0.733 | S | S | * | * | | | cis | -140.7 | 121 | 7.6 | -31.9 | 0 | 0 | 0 | 0 | 106.3 | | |
| 217 | L | 30.5 | Very low | 33.8 | Very low | 135 Ų | 135 | 132.1 Ų | 132.1 | 71% | 0.707 | 74% | 0.736 | S | S | * | * | | | | 30.6 | 105 | 99.1 | -159.6 | -167.5 | 0 | 0 | 0 | 113.5 | K219 | L217-K219 HydrophobicContact CD2-CG 4.18Š|
| 218 | T | 30.2 | Very low | 33.9 | Very low | 116 Ų | 116 | 128.9 Ų | 128.9 | 71% | 0.712 | 73% | 0.726 | S | S | * | * | | | trans | -171.9 | 110.9 | 153.3 | -87.4 | 0 | 0 | 0 | 0 | 106.5 | | |
| 219 | K | 30.5 | Very low | 34.1 | Very low | 170 Ų | 170 | 127.1 Ų | 127.1 | 74% | 0.739 | 73% | 0.729 | S | S | * | * | | | | 71.8 | 148.3 | 76.5 | -73.7 | 176.7 | -178.7 | 178.6 | 0 | 111.3 | L217 | L217-K219 HydrophobicContact CD2-CG 4.18Š|
| 220 | V | 30.8 | Very low | 34.3 | Very low | 125 Ų | 125 | 128 Ų | 128 | 76% | 0.758 | 73% | 0.729 | S | S | * | * | | | cis | -163.5 | -158.8 | -2.6 | 124 | 0 | 0 | 0 | 0 | 106.1 | | |
| 221 | V | 32 | Very low | 34.2 | Very low | 119 Ų | 119 | 130.5 Ų | 130.5 | 72% | 0.721 | 73% | 0.729 | S | S | * | * | | | trans | 90.4 | 120.8 | 164.9 | -176.7 | 0 | 0 | 0 | 0 | 113.5 | | |
| 222 | K | 39.3 | Very low | 34.6 | Very low | 155 Ų | 155 | 128.6 Ų | 128.6 | 67% | 0.674 | 73% | 0.728 | S | S | * | * | | | cis | -155.9 | 154.2 | -4.7 | -110.4 | -177.3 | -174.5 | -107.1 | 0 | 109.2 | | |
| 223 | E | 32.1 | Very low | 35 | Very low | 136 Ų | 136 | 128.3 Ų | 128.3 | 64% | 0.636 | 73% | 0.728 | S | S | * | * | | | | 46.4 | 122.6 | 85.9 | -52.3 | 174.8 | 165.8 | 0 | 0 | 112.1 | | |
| 224 | D | 36.5 | Very low | 35.3 | Very low | 161 Ų | 161 | 128.2 Ų | 128.2 | 86% | 0.861 | 72% | 0.72 | S | S | * | * | | | cis | -146.2 | 168.2 | 9.7 | -75 | -55 | 0 | 0 | 0 | 109.4 | | |
| 225 | G | 38.9 | Very low | 35.3 | Very low | 60 Ų | 60 | 130.6 Ų | 130.6 | 62% | 0.619 | 73% | 0.725 | S | S | * | * | | | cis | 158 | 175.1 | -0.5 | 0 | 0 | 0 | 0 | 0 | 110.6 | | |
| 226 | V | 36.6 | Very low | 35.6 | Very low | 147 Ų | 147 | 133.5 Ų | 133.5 | 89% | 0.891 | 72% | 0.72 | S | S | * | * | | | trans | 69.5 | 134.7 | 170.3 | -176 | 0 | 0 | 0 | 0 | 114.8 | | |
| 227 | M | 39.4 | Very low | 36 | Very low | 164 Ų | 164 | 133.8 Ų | 133.8 | 81% | 0.808 | 72% | 0.717 | S | S | * | * | | | cis | -135.1 | 163.6 | 14.4 | -166.1 | 53.1 | 171 | 0 | 0 | 113.2 | | |
| 228 | S | 32.4 | Very low | 36.3 | Very low | 87 Ų | 87 | 135.3 Ų | 135.3 | 61% | 0.608 | 72% | 0.72 | S | S | * | * | | | trans | -72.5 | 172.8 | 178.6 | 55.8 | 0 | 0 | 0 | 0 | 115.3 | | |
| 229 | P | 41.2 | Very low | 36.6 | Very low | 121 Ų | 121 | 138.3 Ų | 138.3 | 79% | 0.786 | 73% | 0.729 | S | S | * | * | | | trans | -94.1 | -177.1 | -167 | 40.4 | -37 | 0 | 0 | 0 | 113.7 | | |
| 230 | E | 34.9 | Very low | 36.7 | Very low | 153 Ų | 153 | 139.2 Ų | 139.2 | 72% | 0.715 | 73% | 0.732 | S | S | * | * | | | trans | 177.1 | 146.1 | 132.2 | -171.9 | 165.4 | 129 | 0 | 0 | 114 | | |
| 231 | K | 36.2 | Very low | 36.9 | Very low | 160 Ų | 160 | 141.6 Ų | 141.6 | 70% | 0.696 | 74% | 0.738 | S | S | * | * | | | trans | 74.5 | 116.9 | 153.3 | -93.4 | 168.3 | -172.4 | 146.4 | 0 | 125.4 | | |
| 232 | T | 38.9 | Very low | 37 | Very low | 116 Ų | 116 | 140.6 Ų | 140.6 | 71% | 0.712 | 74% | 0.736 | S | S | * | * | | | | 48.3 | 144.5 | 121.1 | 57 | 0 | 0 | 0 | 0 | 122.4 | | |
| 233 | M | 42.3 | Very low | 36.8 | Very low | 145 Ų | 145 | 139.6 Ų | 139.6 | 71% | 0.714 | 74% | 0.742 | S | S | * | * | | | cis | -158.7 | 176.4 | -4.3 | -137.2 | 167.6 | 158 | 0 | 0 | 112.4 | | |
| 234 | D | 39.2 | Very low | 36.9 | Very low | 101 Ų | 101 | 139.5 Ų | 139.5 | 54% | 0.54 | 75% | 0.751 | S | S | . | * | | | trans | -37.7 | 162.4 | 173.1 | -51.5 | -50.5 | 0 | 0 | 0 | 116.9 | F236 | D234-F236 HydrophobicContact CB-CD2 4.36Š|
| 235 | I | 39 | Very low | 36.8 | Very low | 159 Ų | 159 | 136.4 Ų | 136.4 | 82% | 0.815 | 75% | 0.748 | S | S | * | * | | | | -150.3 | 118.5 | 56.8 | -73.6 | 153.9 | 0 | 0 | 0 | 108.1 | | |
| 236 | F | 38.8 | Very low | 36.9 | Very low | 156 Ų | 156 | 139.3 Ų | 139.3 | 68% | 0.684 | 76% | 0.756 | S | S | * | * | | | | 53 | 136.9 | 88.7 | -80.7 | -111.9 | 0 | 0 | 0 | 113.9 | D234 | D234-F236 HydrophobicContact CB-CD2 4.36Š|
| 237 | N | 36.8 | Very low | 37 | Very low | 124 Ų | 124 | 139.2 Ų | 139.2 | 66% | 0.663 | 76% | 0.755 | S | S | * | * | | | cis | -154.1 | 163.3 | 28.4 | -148.5 | -2.2 | 0 | 0 | 0 | 113.3 | | |
| 238 | E | 35.9 | Very low | 36.8 | Very low | 166 Ų | 166 | 141.4 Ų | 141.4 | 78% | 0.776 | 75% | 0.754 | S | S | * | * | | | trans | 58.6 | 128 | 141.6 | -154.4 | 156.4 | -154.9 | 0 | 0 | 120.9 | | |
| 239 | M | 36.5 | Very low | 37.2 | Very low | 180 Ų | 180 | 144.3 Ų | 144.3 | 89% | 0.887 | 76% | 0.758 | S | S | * | * | | | cis | -135.6 | 153.2 | 0.1 | -166.3 | 178.5 | -174.6 | 0 | 0 | 110.2 | | |
| 240 | K | 33.1 | Very low | 37.2 | Very low | 188 Ų | 188 | 147.9 Ų | 147.9 | 82% | 0.817 | 76% | 0.764 | S | S | * | * | | | trans | -150.2 | 169 | -169.7 | -163.1 | 174.9 | -178.3 | 179.3 | 0 | 110.9 | | |
| 241 | M | 34.4 | Very low | 37.5 | Very low | 176 Ų | 176 | 150.9 Ų | 150.9 | 87% | 0.867 | 77% | 0.77 | S | S | * | * | | | trans | 79.4 | 146.2 | -178.6 | -56.3 | 151.6 | 54.7 | 0 | 0 | 113.6 | | |
| 242 | S | 34.7 | Very low | 38.1 | Very low | 98 Ų | 98 | 148 Ų | 148 | 69% | 0.685 | 78% | 0.777 | S | S | * | * | | | cis | -155.9 | 136.5 | -10.5 | 37.8 | 0 | 0 | 0 | 0 | 107.5 | | |
| 243 | V | 34.2 | Very low | 38.5 | Very low | 134 Ų | 134 | 148 Ų | 148 | 81% | 0.812 | 77% | 0.772 | S | S | * | * | | | | 70.7 | 118 | 60.4 | 177.1 | 0 | 0 | 0 | 0 | 113.4 | | |
| 244 | V | 35.7 | Very low | 38.2 | Very low | 134 Ų | 134 | 150.8 Ų | 150.8 | 81% | 0.812 | 78% | 0.781 | S | S | * | * | | | trans | 87.4 | 105.3 | 163.7 | 170 | 0 | 0 | 0 | 0 | 120.8 | | |
| 245 | A | 34.5 | Very low | 38.6 | Very low | 96 Ų | 96 | 154.7 Ų | 154.7 | 79% | 0.793 | 79% | 0.793 | S | S | * | * | | | trans | 71.8 | 152.8 | 134.8 | 0 | 0 | 0 | 0 | 0 | 123.9 | | |
| 246 | P | 39.4 | Very low | 38.5 | Very low | 121 Ų | 121 | 152.6 Ų | 152.6 | 79% | 0.786 | 79% | 0.79 | S | S | * | * | | | trans | -124.2 | 148.1 | -172 | 40.6 | -24.9 | 0 | 0 | 0 | 116.3 | | |
| 247 | V | 39.1 | Very low | 38.4 | Very low | 144 Ų | 144 | 155.1 Ų | 155.1 | 87% | 0.873 | 80% | 0.801 | S | S | * | * | | | trans | -145.5 | 130.8 | 167.1 | -179.5 | 0 | 0 | 0 | 0 | 113.1 | | |
| 248 | R | 35.7 | Very low | 38.5 | Very low | 211 Ų | 211 | 157.2 Ų | 157.2 | 80% | 0.796 | 81% | 0.806 | S | S | * | * | | | trans | 9.4 | 155.3 | 149.3 | -157.9 | 174.7 | -71.7 | -75.9 | 7.3 | 122.8 | | |
| 249 | E | 40.5 | Very low | 38.7 | Very low | 148 Ų | 148 | 156.7 Ų | 156.7 | 69% | 0.692 | 80% | 0.804 | S | S | * | * | | | trans | -65.8 | 159.9 | 171.7 | -39.3 | 99.3 | 118 | 0 | 0 | 115.7 | | |
| 250 | E | 41.4 | Very low | 38.8 | Very low | 195 Ų | 195 | 152.1 Ų | 152.1 | 91% | 0.911 | 80% | 0.795 | S | S | * | * | | | trans | -141 | 144.5 | 145.9 | -170.7 | 165.3 | -156.5 | 0 | 0 | 110 | | |
| 251 | Y | 41.6 | Very low | 39.2 | Very low | 216 Ų | 216 | 152.2 Ų | 152.2 | 85% | 0.847 | 79% | 0.791 | S | S | * | * | | | trans | -91.6 | 152 | -178.6 | -98.7 | -111.9 | 0 | 0 | 0 | 112.1 | | |
| 252 | A | 47.8 | Very low | 39.2 | Very low | 100 Ų | 100 | 153.3 Ų | 153.3 | 83% | 0.826 | 79% | 0.794 | S | S | * | * | | | trans | -138.5 | 122.4 | 160.1 | 0 | 0 | 0 | 0 | 0 | 110.6 | | |
| 253 | D | 47.5 | Very low | 39.2 | Very low | 115 Ų | 115 | 153.6 Ų | 153.6 | 62% | 0.615 | 79% | 0.791 | S | S | * | * | | | trans | -104.4 | 129.4 | -172.9 | 166.6 | 37.1 | 0 | 0 | 0 | 111.8 | | |
| 254 | F | 37.1 | Very low | 39.4 | Very low | 205 Ų | 205 | 156.8 Ų | 156.8 | 90% | 0.899 | 79% | 0.794 | S | S | * | * | | | trans | -145.9 | 145.2 | 162.5 | -78.7 | -67.4 | 0 | 0 | 0 | 112.7 | | |
| 255 | K | 47.1 | Very low | 39.3 | Very low | 182 Ų | 182 | 157 Ų | 157 | 79% | 0.791 | 79% | 0.79 | S | S | * | * | | | trans | -94.7 | 160.6 | -159.9 | -81.5 | 179.1 | 177.2 | 175.1 | 0 | 116.3 | | |
| 256 | P | 37.5 | Very low | 39.5 | Very low | 115 Ų | 115 | 159.2 Ų | 159.2 | 75% | 0.747 | 79% | 0.794 | S | S | * | * | | | trans | -89.4 | 168.1 | -176.8 | 37.4 | -38.2 | 0 | 0 | 0 | 114.5 | | |
| 257 | F | 36.2 | Very low | 39.2 | Very low | 209 Ų | 209 | 163.5 Ų | 163.5 | 92% | 0.917 | 80% | 0.796 | S | S | * | * | | | trans | -155.9 | 162.1 | 160.1 | -132.7 | -88.4 | 0 | 0 | 0 | 112.9 | | |
| 258 | E | 39.4 | Very low | 38.9 | Very low | 168 Ų | 168 | 165.8 Ų | 165.8 | 79% | 0.785 | 80% | 0.797 | S | S | * | * | | | trans | -110.2 | 153.4 | -162.7 | -62.5 | 176.5 | 110.9 | 0 | 0 | 116.9 | | |
| 259 | Q | 38.2 | Very low | 38.8 | Very low | 155 Ų | 155 | 159.2 Ų | 159.2 | 72% | 0.724 | 80% | 0.795 | S | S | * | * | | | trans | 40.4 | 125.4 | 136.9 | -166.2 | 177.8 | 56.7 | 0 | 0 | 122.5 | | |
| 260 | A | 40.6 | Very low | 38.6 | Very low | 85 Ų | 85 | 157.5 Ų | 157.5 | 70% | 0.702 | 80% | 0.8 | S | S | * | * | | | trans | -154.5 | 145.4 | 138.9 | 0 | 0 | 0 | 0 | 0 | 110.2 | | |
| 261 | W | 39.5 | Very low | 38.3 | Very low | 190 Ų | 190 | 159.1 Ų | 159.1 | 72% | 0.72 | 80% | 0.798 | S | S | * | * | | | trans | -139.1 | 131.7 | -176.4 | -161.7 | -68.5 | 0 | 0 | 0 | 109.6 | | |
| 262 | E | 35.5 | Very low | 37.8 | Very low | 199 Ų | 199 | 156 Ų | 156 | 93% | 0.93 | 80% | 0.795 | S | S | * | * | | | trans | -151.8 | 150.2 | 164.7 | -144 | 171.1 | -144 | 0 | 0 | 112.2 | | |
| 263 | V | 35.4 | Very low | 37.2 | Very low | 103 Ų | 103 | 157.4 Ų | 157.4 | 62% | 0.624 | 79% | 0.794 | S | S | * | * | | | trans | -104.2 | 143.5 | -165.4 | 170.9 | 0 | 0 | 0 | 0 | 111.4 | | |
| 264 | K | 38.3 | Very low | 36.6 | Very low | 202 Ų | 202 | 159 Ų | 159 | 88% | 0.878 | 80% | 0.801 | S | S | * | * | | | trans | -154.3 | 115.4 | 153.5 | -136.7 | 164 | -169.7 | 164.5 | 0 | 113.8 | | |
| 265 | D | 32.9 | Very low | 36.3 | Very low | 137 Ų | 137 | 154.4 Ų | 154.4 | 73% | 0.733 | 80% | 0.801 | S | S | * | * | | | trans | -64.9 | 147.5 | 169.8 | -50.8 | -89.7 | 0 | 0 | 0 | 111.7 | | |
| 266 | T | 38.1 | Very low | 35.8 | Very low | 144 Ų | 144 | 149.6 Ų | 149.6 | 88% | 0.883 | 80% | 0.795 | S | S | * | * | | | trans | -147.2 | 141.2 | 151.8 | -64 | 0 | 0 | 0 | 0 | 108.7 | | |
| 267 | Y | 32.8 | Very low | 35.6 | Very low | 211 Ų | 211 | 155.9 Ų | 155.9 | 83% | 0.827 | 80% | 0.804 | S | S | * | * | | | trans | -93.6 | 176.9 | -166.2 | -120.5 | -113.7 | 0 | 0 | 0 | 112.9 | | |
| 268 | E | 33.1 | Very low | 35.2 | Very low | 191 Ų | 191 | 150 Ų | 150 | 89% | 0.893 | 80% | 0.795 | S | S | * | * | | | trans | 71.6 | 151.9 | 162.1 | -67.9 | -174.8 | 134.6 | 0 | 0 | 120 | | |
| 269 | G | 34 | Very low | 34.8 | Very low | 73 Ų | 73 | 149.1 Ų | 149.1 | 75% | 0.753 | 80% | 0.795 | S | S | * | * | | | trans | 118.8 | 59.3 | 158.3 | 0 | 0 | 0 | 0 | 0 | 118.6 | | |
| 270 | S | 37.3 | Very low | 34.6 | Very low | 113 Ų | 113 | 150.4 Ų | 150.4 | 79% | 0.79 | 80% | 0.803 | S | S | * | * | | | trans | 148.4 | 84.7 | 139.2 | -81.6 | 0 | 0 | 0 | 0 | 114.8 | | |
| 271 | R | 34.9 | Very low | 34.2 | Very low | 229 Ų | 229 | 154.1 Ų | 154.1 | 86% | 0.864 | 81% | 0.806 | S | S | * | * | S | Bend | | -93.7 | 174.7 | 129.4 | -77 | -171.5 | 171.4 | 104.7 | 1.3 | 108.5 | | |
| 272 | D | 30.4 | Very low | 33.6 | Very low | 150 Ų | 150 | 149.6 Ų | 149.6 | 80% | 0.802 | 80% | 0.804 | S | S | * | * | | | trans | 70.8 | 44.9 | 163.3 | -51.8 | -22.8 | 0 | 0 | 0 | 119.2 | | |
| 273 | V | 36.3 | Very low | 33.5 | Very low | 130 Ų | 130 | 148.7 Ų | 148.7 | 79% | 0.788 | 80% | 0.797 | S | S | * | * | S | Bend | trans | -133.7 | 59.8 | 157.1 | -162 | 0 | 0 | 0 | 0 | 113.1 | | |
| 274 | L | 33.1 | Very low | 33.5 | Very low | 148 Ų | 148 | 148.3 Ų | 148.3 | 78% | 0.775 | 79% | 0.794 | S | S | * | * | | | trans | -164.4 | 28.2 | 144.5 | -113.6 | 168.6 | 0 | 0 | 0 | 115.9 | A276 | L274-A276 PolarHBondContact O-N 2.96Š|
| 275 | A | 31.4 | Very low | 33.4 | Very low | 109 Ų | 109 | 145.4 Ų | 145.4 | 90% | 0.901 | 79% | 0.788 | S | S | * | * | | | trans | -72.2 | 50.1 | 164.3 | 0 | 0 | 0 | 0 | 0 | 111.7 | | |
| 276 | A | 36.5 | Very low | 33.5 | Very low | 81 Ų | 81 | 146.4 Ų | 146.4 | 67% | 0.669 | 79% | 0.786 | S | S | * | * | | | trans | -146.4 | 27.3 | -162.6 | 0 | 0 | 0 | 0 | 0 | 115.1 | L274 | L274-A276 PolarHBondContact O-N 2.96Š|
| 277 | R | 32.8 | Very low | 33.3 | Very low | 246 Ų | 246 | 149.2 Ų | 149.2 | 93% | 0.928 | 79% | 0.786 | S | S | * | * | | | trans | -125.8 | 47.8 | 157.7 | -154.6 | -175 | 179.6 | -174.6 | -0.5 | 113 | | |
| 278 | A | 29.2 | Very low | 33.2 | Very low | 87 Ų | 87 | 144.3 Ų | 144.3 | 72% | 0.719 | 78% | 0.781 | S | S | * | * | | | trans | -74.4 | 164.1 | 155.3 | 0 | 0 | 0 | 0 | 0 | 110.6 | | |
| 279 | N | 30.5 | Very low | 32.9 | Very low | 148 Ų | 148 | 144 Ų | 144 | 79% | 0.791 | 78% | 0.777 | S | S | * | * | | | trans | 73.4 | 52.9 | 153.9 | -153.2 | 17.6 | 0 | 0 | 0 | 119.2 | | |
| 280 | M | 33 | Very low | 32.7 | Very low | 182 Ų | 182 | 148.6 Ų | 148.6 | 90% | 0.897 | 78% | 0.779 | S | S | * | * | | | trans | -147 | 133 | 138.6 | -97.9 | -176.6 | 171.8 | 0 | 0 | 107.9 | | |
| 281 | E | 33 | Very low | 32.3 | Very low | 163 Ų | 163 | 150.2 Ų | 150.2 | 76% | 0.762 | 78% | 0.779 | S | S | * | * | | | cis | -138 | 141.6 | -1.1 | -179.5 | 162.1 | 116.1 | 0 | 0 | 111.4 | | |
| 282 | S | 27.8 | Very low | 32.3 | Very low | 96 Ų | 96 | 143.8 Ų | 143.8 | 67% | 0.671 | 77% | 0.769 | S | S | * | * | | | trans | -104.5 | 103.9 | -179 | 61.1 | 0 | 0 | 0 | 0 | 112.6 | | |
| 283 | K | 32.7 | Very low | 32.2 | Very low | 179 Ų | 179 | 144 Ų | 144 | 78% | 0.778 | 77% | 0.77 | S | S | * | * | | | trans | -163.8 | 128.5 | 159.8 | -103.8 | 144.5 | -175.1 | 176.5 | 0 | 109 | | |
| 284 | V | 34.8 | Very low | 31.9 | Very low | 95 Ų | 95 | 144.4 Ų | 144.4 | 58% | 0.576 | 76% | 0.763 | S | S | * | * | | | | 65.9 | 124.3 | 85.8 | 174.5 | 0 | 0 | 0 | 0 | 110.5 | K286 | V284-K286 HydrophobicContact CG1-CD 4.44Š|
| 285 | D | 37.3 | Very low | 31.8 | Very low | 141 Ų | 141 | 144 Ų | 144 | 75% | 0.754 | 76% | 0.757 | S | S | * | * | | | cis | -107.3 | 153.6 | 15.8 | -77.3 | -70.4 | 0 | 0 | 0 | 113.4 | | |
| 286 | K | 33.5 | Very low | 31.8 | Very low | 159 Ų | 159 | 147.8 Ų | 147.8 | 69% | 0.691 | 75% | 0.753 | S | S | * | * | | | cis | 83.3 | 123.9 | 36.4 | -72 | 179.7 | 176.6 | 165.5 | 0 | 115.8 | V284 | V284-K286 HydrophobicContact CG1-CD 4.44Š|
| 287 | K | 35.1 | Very low | 31.8 | Very low | 202 Ų | 202 | 147.7 Ų | 147.7 | 88% | 0.878 | 76% | 0.761 | S | S | * | * | | | trans | 70.2 | 154.7 | 165.8 | -64.4 | -173.6 | 174.7 | -167.9 | 0 | 116.2 | | |
| 288 | C | 31.1 | Very low | 31.8 | Very low | 108 Ų | 108 | 145.1 Ų | 145.1 | 73% | 0.73 | 76% | 0.759 | S | S | * | * | | | cis | -127.7 | 137.1 | -0.2 | -142 | 0 | 0 | 0 | 0 | 112.3 | | |
| 289 | F | 26.8 | Very low | 32.2 | Very low | 184 Ų | 184 | 144.3 Ų | 144.3 | 81% | 0.807 | 76% | 0.758 | S | S | * | * | | | trans | -80 | 153.3 | 153.8 | -124.7 | -103.7 | 0 | 0 | 0 | 107.9 | | |
| 290 | E | 30.1 | Very low | 32.7 | Very low | 170 Ų | 170 | 145.5 Ų | 145.5 | 79% | 0.794 | 76% | 0.756 | S | S | * | * | | | trans | 67 | 162.8 | 156.8 | -108.3 | 160.5 | 132.7 | 0 | 0 | 120.6 | | |
| 291 | D | 28.2 | Very low | 33.1 | Very low | 148 Ų | 148 | 143.2 Ų | 143.2 | 79% | 0.791 | 75% | 0.748 | S | S | * | * | | | trans | 81.6 | 135.7 | 158.6 | -127.3 | -26.4 | 0 | 0 | 0 | 121.1 | | |
| 292 | S | 34.2 | Very low | 33.6 | Very low | 93 Ų | 93 | 139.8 Ų | 139.8 | 65% | 0.65 | 74% | 0.742 | S | S | * | * | | | trans | 62.9 | 132.8 | 165.6 | -64 | 0 | 0 | 0 | 0 | 119.9 | | |
| 293 | L | 28.2 | Very low | 34.2 | Very low | 155 Ų | 155 | 143.8 Ų | 143.8 | 81% | 0.812 | 75% | 0.75 | S | S | * | * | | | cis | 83.4 | 137.3 | 34.3 | -168.9 | 121.6 | 0 | 0 | 0 | 113.3 | | |
| 294 | E | 31.5 | Very low | 34.7 | Very low | 138 Ų | 138 | 140.2 Ų | 140.2 | 65% | 0.645 | 75% | 0.748 | S | S | * | * | | | trans | 72.3 | 113.6 | 174.3 | -68.6 | -75.8 | 79.9 | 0 | 0 | 119.7 | | |
| 295 | Q | 29.4 | Very low | 34.8 | Very low | 139 Ų | 139 | 145 Ų | 145 | 65% | 0.65 | 76% | 0.756 | S | S | * | * | | | | 28.3 | 137.8 | 129.6 | -51.2 | 175.3 | 40.9 | 0 | 0 | 120.1 | | |
| 296 | K | 32.9 | Very low | 34.9 | Very low | 189 Ų | 189 | 145.7 Ų | 145.7 | 82% | 0.822 | 76% | 0.759 | S | S | * | * | | | | 160.5 | 105.8 | 84 | -166.1 | 160.1 | -174.1 | 163.5 | 0 | 115.3 | | |
| 297 | G | 34.8 | Very low | 35.4 | Very low | 80 Ų | 80 | 143.9 Ų | 143.9 | 83% | 0.825 | 75% | 0.753 | S | S | * | * | | | trans | 80 | 158.9 | 162.3 | 0 | 0 | 0 | 0 | 0 | 115.8 | | |
| 298 | H | 33.5 | Very low | 35.5 | Very low | 192 Ų | 192 | 141.5 Ų | 141.5 | 89% | 0.889 | 75% | 0.75 | S | S | * | * | | | cis | -155.7 | 119.1 | 0.9 | -175.9 | -57.6 | 0 | 0 | 0 | 108.7 | | |
| 299 | G | 38.7 | Very low | 35.8 | Very low | 69 Ų | 69 | 140.5 Ų | 140.5 | 71% | 0.711 | 75% | 0.75 | S | S | * | * | | | trans | -157 | -24.4 | -166.2 | 0 | 0 | 0 | 0 | 0 | 121.2 | | |
| 300 | K | 39.7 | Very low | 36.3 | Very low | 173 Ų | 173 | 137.3 Ų | 137.3 | 75% | 0.752 | 75% | 0.75 | S | S | * | * | | | trans | 69.8 | 116.9 | -171.9 | -63.8 | -168.8 | 168.1 | -167.7 | 0 | 114.4 | | |
| 301 | D | 41.4 | Very low | 36.3 | Very low | 134 Ų | 134 | 138.4 Ų | 138.4 | 72% | 0.717 | 75% | 0.753 | S | S | * | * | | | | 105.6 | 121.6 | 74.6 | -70.5 | -13.7 | 0 | 0 | 0 | 106.8 | | |
| 302 | S | 43.7 | Very low | 36.9 | Very low | 92 Ų | 92 | 136.7 Ų | 136.7 | 64% | 0.643 | 75% | 0.749 | S | S | * | * | | | cis | -159.5 | 151.3 | -1.5 | -76.8 | 0 | 0 | 0 | 0 | 111.8 | | |
| 303 | E | 41.4 | Very low | 37 | Very low | 179 Ų | 179 | 144 Ų | 144 | 84% | 0.836 | 76% | 0.763 | S | S | * | * | | | trans | 59 | 164.6 | 150.9 | -67.5 | 168.2 | 87.2 | 0 | 0 | 120.2 | | |
| 304 | S | 42.3 | Very low | 37.3 | Very low | 104 Ų | 104 | 142.6 Ų | 142.6 | 73% | 0.727 | 76% | 0.761 | S | S | * | * | | | cis | -167.9 | 167 | -42.2 | 72 | 0 | 0 | 0 | 0 | 106.8 | | |
| 305 | R | 37.9 | Very low | 37.5 | Very low | 197 Ų | 197 | 141.3 Ų | 141.3 | 74% | 0.743 | 76% | 0.764 | S | S | * | * | | | cis | -152.9 | 163.3 | 5.6 | -168.9 | 176.5 | 178.7 | 133.2 | 4.7 | 109.3 | E307 | R305-E307 IonicContact CZ-OE1 3.35Å; R305-E307 IonicContact NE-OE1 2.86Å; R305-E307 PolarHBondContact NE-OE1 2.71Å; R305-E307 IonicContact NH2-OE1 2.92Å; R305-E307 PolarHBondContact NH2-OE1 3.38Å |
| 306 | N | 39.7 | Very low | 37.6 | Very low | 155 Ų | 155 | 143.7 Ų | 143.7 | 83% | 0.829 | 78% | 0.775 | S | S | * | * | | | trans | -91.2 | -126.4 | 179.5 | -50.7 | -13.7 | 0 | 0 | 0 | 111.8 | | |
| 307 | E | 42.5 | Very low | 37.7 | Very low | 121 Ų | 121 | 142.6 Ų | 142.6 | 57% | 0.565 | 78% | 0.778 | S | S | * | * | | | trans | 72.1 | 127 | -171.5 | -32.8 | -59.4 | 175.6 | 0 | 0 | 113.7 | R305 | R305-E307 IonicContact CZ-OE1 3.35Å; R305-E307 IonicContact NE-OE1 2.86Å; R305-E307 PolarHBondContact NE-OE1 2.71Å; R305-E307 IonicContact NH2-OE1 2.92Å; R305-E307 PolarHBondContact NH2-OE1 3.38Å |
| 308 | N | 38.1 | Very low | 37.8 | Very low | 151 Ų | 151 | 145.1 Ų | 145.1 | 81% | 0.807 | 78% | 0.777 | S | S | * | * | | | cis | -157.9 | -166.1 | -16.6 | -142.5 | -76 | 0 | 0 | 0 | 110.3 | | |
| 309 | A | 37.6 | Very low | 38.1 | Very low | 88 Ų | 88 | 145.1 Ų | 145.1 | 73% | 0.727 | 77% | 0.774 | S | S | * | * | | | trans | -125 | 170.4 | -165.9 | 0 | 0 | 0 | 0 | 0 | 116.6 | | |
| 310 | S | 36.9 | Very low | 37.9 | Very low | 116 Ų | 116 | 149 Ų | 149 | 81% | 0.811 | 78% | 0.779 | S | S | * | * | | | | 166.9 | 148.2 | 129.6 | -169.6 | 0 | 0 | 0 | 0 | 115.2 | | |
| 311 | F | 29.1 | Very low | 37.8 | Very low | 194 Ų | 194 | 143.8 Ų | 143.8 | 85% | 0.851 | 77% | 0.773 | S | S | * | * | | | trans | -92.7 | -165.8 | 165.7 | -71.8 | -103 | 0 | 0 | 0 | 110.8 | | |
| 312 | P | 41.7 | Very low | 37.5 | Very low | 111 Ų | 111 | 142.7 Ų | 142.7 | 72% | 0.721 | 78% | 0.776 | S | S | * | * | | | | -133.9 | 153.9 | -75 | 39.8 | -24.5 | 0 | 0 | 0 | 115 | | |
| 313 | R | 35.3 | Very low | 37.1 | Very low | 247 Ų | 247 | 148.2 Ų | 148.2 | 93% | 0.932 | 78% | 0.783 | S | S | * | * | | | trans | -173.9 | 150.7 | 147.1 | -113.8 | 167.2 | 177.3 | 167.2 | -1.4 | 115.1 | | |
| 314 | T | 35 | Very low | 36.9 | Very low | 125 Ų | 125 | 143.5 Ų | 143.5 | 77% | 0.767 | 78% | 0.775 | S | S | * | * | | | trans | -57.3 | 157.2 | 165 | 42.8 | 0 | 0 | 0 | 0 | 113.2 | | |
| 315 | P | 37.1 | Very low | 36.6 | Very low | 111 Ų | 111 | 147.6 Ų | 147.6 | 72% | 0.721 | 78% | 0.776 | S | S | * | * | | | cis | -143 | 165.1 | 40 | 42.1 | -23.9 | 0 | 0 | 0 | 119.6 | | |
| 316 | E | 31.3 | Very low | 36.7 | Very low | 189 Ų | 189 | 146.4 Ų | 146.4 | 88% | 0.883 | 78% | 0.782 | S | S | * | * | | | trans | 56.6 | 149.2 | 151.5 | -70.5 | -173.6 | 142.5 | 0 | 0 | 123.1 | | |
| 317 | L | 34 | Very low | 36.5 | Very low | 167 Ų | 167 | 145.2 Ų | 145.2 | 87% | 0.874 | 78% | 0.781 | S | S | * | * | | | trans | 86.3 | 149.3 | 165.2 | -150.9 | 66.5 | 0 | 0 | 0 | 118.5 | | |
| 318 | V | 36.5 | Very low | 36.1 | Very low | 132 Ų | 132 | 144.8 Ų | 144.8 | 80% | 0.8 | 79% | 0.79 | S | S | * | * | | | trans | 82.7 | 96.5 | 171.2 | -166.6 | 0 | 0 | 0 | 0 | 117.8 | | |
| 319 | K | 39.7 | Very low | 36 | Very low | 193 Ų | 193 | 144.5 Ų | 144.5 | 84% | 0.839 | 79% | 0.788 | S | S | * | * | | | trans | -59.1 | 163.9 | 154.4 | -83.5 | -174 | 174.5 | -171.7 | 0 | 112.4 | | |
| 320 | D | 34.6 | Very low | 35.8 | Very low | 151 Ų | 151 | 145 Ų | 145 | 81% | 0.807 | 79% | 0.787 | S | S | * | * | | | cis | -166.3 | 152.9 | -16.1 | -177.7 | -0.7 | 0 | 0 | 0 | 106.3 | | |
| 321 | G | 37.1 | Very low | 35.6 | Very low | 62 Ų | 62 | 148.3 Ų | 148.3 | 64% | 0.639 | 79% | 0.787 | S | S | * | * | | | trans | -132.8 | -2 | -150.9 | 0 | 0 | 0 | 0 | 0 | 119.5 | | |
| 322 | S | 36.2 | Very low | 35.8 | Very low | 111 Ų | 111 | 143.5 Ų | 143.5 | 78% | 0.776 | 78% | 0.777 | S | S | * | * | | | trans | 69.3 | 152.2 | 166.6 | 82.7 | 0 | 0 | 0 | 0 | 121.4 | | |
| 323 | R | 34.4 | Very low | 35.2 | Very low | 209 Ų | 209 | 143.6 Ų | 143.6 | 79% | 0.789 | 78% | 0.78 | S | S | * | * | | | trans | 73.1 | 97.7 | 153.8 | -171.2 | -177.3 | -76.4 | -163.4 | -4.4 | 120.1 | Y325 | R323-Y325 HydrophobicContact CG-CD1 4.39Å; R323-Y325 HydrophobicContact CG-CE1 3.78Å |
| 324 | A | 38.3 | Very low | 35.1 | Very low | 80 Ų | 80 | 135.9 Ų | 135.9 | 66% | 0.661 | 77% | 0.77 | S | S | * | * | | | trans | -161.2 | 76.7 | 143.2 | 0 | 0 | 0 | 0 | 0 | 113.2 | | |
| 325 | Y | 35.3 | Very low | 35.1 | Very low | 189 Ų | 189 | 135.8 Ų | 135.8 | 74% | 0.741 | 77% | 0.769 | S | S | * | * | | | trans | 5.6 | 117.6 | 153.5 | 20.8 | -103.3 | 0 | 0 | 0 | 120.7 | R323 | R323-Y325 HydrophobicContact CG-CD1 4.39Å; R323-Y325 HydrophobicContact CG-CE1 3.78Å |
| 326 | I | 39.7 | Very low | 34.9 | Very low | 173 Ų | 173 | 138.8 Ų | 138.8 | 89% | 0.887 | 77% | 0.774 | S | S | * | * | | | trans | -136.7 | 149.6 | 145.6 | -57.5 | -179.7 | 0 | 0 | 0 | 106.4 | | |
| 327 | T | 36 | Very low | 35 | Very low | 129 Ų | 129 | 134.2 Ų | 134.2 | 79% | 0.791 | 76% | 0.762 | S | S | * | * | | | trans | -147.3 | 120.8 | -176.8 | -58 | 0 | 0 | 0 | 0 | 112.3 | | |
| 328 | C | 33.4 | Very low | 34.9 | Very low | 113 Ų | 113 | 128.8 Ų | 128.8 | 76% | 0.764 | 74% | 0.736 | S | S | * | * | | | trans | -154.4 | 133.8 | 160.4 | -90.6 | 0 | 0 | 0 | 0 | 109.9 | | |
| 329 | D | 35.9 | Very low | 35 | Very low | 144 Ų | 144 | 123.6 Ų | 123.6 | 77% | 0.77 | 71% | 0.707 | S | S | * | * | | | trans | 58.7 | 130.3 | 140.5 | -56.6 | -10.6 | 0 | 0 | 0 | 124.6 | | |
| 330 | S | 33.7 | Very low | 34.9 | Very low | 99 Ų | 99 | 117.3 Ų | 117.3 | 69% | 0.692 | 69% | 0.691 | S | S | * | * | | | | 118.1 | 124.2 | 119.5 | -88.1 | 0 | 0 | 0 | 0 | 122.1 | | |
| 331 | F | 33.5 | Very low | 35.2 | Very low | 185 Ų | 185 | 116 Ų | 116 | 81% | 0.811 | 68% | 0.684 | S | S | * | * | | | trans | 67.3 | 112.3 | 142.5 | -76.9 | -69.3 | 0 | 0 | 0 | 124.3 | | |
| 332 | S | 32.3 | Very low | 35.3 | Very low | 93 Ų | 93 | 120 Ų | 120 | 65% | 0.65 | 69% | 0.69 | S | S | * | * | | | | 51.9 | 115.1 | 129.1 | 66.4 | 0 | 0 | 0 | 0 | 122.7 | | |
| 333 | S | 30.5 | Very low | 35.4 | Very low | 113 Ų | 113 | 122.4 Ų | 122.4 | 79% | 0.79 | 69% | 0.686 | S | S | * | * | | | trans | 53.7 | 120.4 | 133.1 | 66.9 | 0 | 0 | 0 | 0 | 121.4 | | |
| 334 | A | 33.8 | Very low | 35.7 | Very low | 86 Ų | 86 | 117.9 Ų | 117.9 | 71% | 0.711 | 68% | 0.684 | S | S | * | * | | | | 139.5 | 134.4 | 112.9 | 0 | 0 | 0 | 0 | 0 | 114.7 | | |
| 335 | T | 34 | Very low | 35.5 | Very low | 122 Ų | 122 | 119.3 Ų | 119.3 | 75% | 0.748 | 68% | 0.684 | S | S | * | * | | | trans | 64.8 | 119.5 | 157.2 | 20.4 | 0 | 0 | 0 | 0 | 120.6 | | |
| 336 | E | 32.5 | Very low | 35.5 | Very low | 175 Ų | 175 | 117 Ų | 117 | 82% | 0.818 | 68% | 0.684 | S | S | * | * | | | trans | 63 | 108.3 | 135.6 | -76.7 | -177.7 | 124.3 | 0 | 0 | 121.7 | | |
| 337 | S | 32.8 | Very low | 35.3 | Very low | 93 Ų | 93 | 115.8 Ų | 115.8 | 65% | 0.65 | 67% | 0.674 | S | S | * | * | | | | 88.6 | 104.3 | 112.7 | -145.1 | 0 | 0 | 0 | 0 | 118.6 | | |
| 338 | T | 33 | Very low | 35.2 | Very low | 52 Ų | 52 | 115.5 Ų | 115.5 | 32% | 0.319 | 67% | 0.668 | S | S | . | * | | | | 93.8 | 101.1 | 111.8 | -65.4 | 0 | 0 | 0 | 0 | 116.9 | G118 Y119 | G118-T338 CarbonylContact C-O 3.48Å; Y119-T338 WeakPolarHBondContact CA-O 3.46Å; Y119-T338 VanDerWaalsContact CB-O 3.27Å; Y119-T338 WeakPolarHBondContact CB-O 3.35Å; Y119-T338 WeakPolarHBondContact CD2-O 3.42Å; Y119-T338 VanDerWaalsContact N-C 3.3Å; Y119-T338 PolarHBondContact N-O 2.82Å |
| 339 | A | 37.5 | Very low | 35.4 | Very low | 23 Ų | 23 | 117.3 Ų | 117.3 | 19% | 0.19 | 67% | 0.665 | C | S | . | * | | | trans | -101.4 | -174.6 | -179.5 | 0 | 0 | 0 | 0 | 0 | 120.3 | H117 G118 Y119 | H117-A339 CarbonylContact C-O 3.37Å; H117-A339 VanDerWaalsContact CA-N 3.34Å; H117-A339 HydrophobicContact CB-CB 4.29Å; H117-A339 VanDerWaalsContact CE1-CB 3.43Å; H117-A339 WeakPolarHBondContact CE1-CB 3.48Å; H117-A339 VanDerWaalsContact ND1-CB 3.3Å; H117-A339 WeakPolarHBondContact ND1-CB 3.25Å; G118-A339 CarbonylContact C-O 3.58Å; G118-A339 VanDerWaalsContact C-O 3.22Å; G118-A339 WeakPolarHBondContact CA-O 3.31Å; G118-A339 PolarHBondContact N-O 2.63Å; Y119-A339 HydrophobicContact CD2-CB 4.32Å; Y119-A339 PolarHBondContact N-O 3.32Å |
| 340 | A | 39.4 | Very low | 35.3 | Very low | 61 Ų | 61 | 116.1 Ų | 116.1 | 50% | 0.504 | 66% | 0.663 | S | S | . | * | | | trans | -160.2 | 148.6 | 177.5 | 0 | 0 | 0 | 0 | 0 | 110.8 | | |
| 341 | N | 40.2 | Very low | 35.4 | Very low | 123 Ų | 123 | 115.6 Ų | 115.6 | 66% | 0.658 | 66% | 0.659 | S | S | * | * | | | cis | -165.8 | -161.8 | -9.9 | -131.7 | -40.9 | 0 | 0 | 0 | 108.9 | | |
| 342 | I | 39.8 | Very low | 35.3 | Very low | 148 Ų | 148 | 115.1 Ų | 115.1 | 76% | 0.759 | 66% | 0.66 | S | S | * | * | | | trans | 90.1 | 102.6 | 161.8 | -50.2 | 170.2 | 0 | 0 | 0 | 114.1 | | |
| 343 | F | 38.2 | Very low | 35.5 | Very low | 161 Ų | 161 | 116 Ų | 116 | 71% | 0.706 | 66% | 0.657 | S | S | * | * | | | | 74.9 | 148.2 | 55.1 | -71 | -69.1 | 0 | 0 | 0 | 113.7 | | |
| 344 | P | 39.9 | Very low | 35.9 | Very low | 114 Ų | 114 | 118.9 Ų | 118.9 | 74% | 0.74 | 66% | 0.655 | S | S | * | * | | | cis | -132.6 | 146.5 | 33.1 | 43.8 | -26.4 | 0 | 0 | 0 | 117.3 | | |
| 345 | V | 33.3 | Very low | 36.5 | Very low | 110 Ų | 110 | 119.7 Ų | 119.7 | 67% | 0.667 | 65% | 0.652 | S | S | * | * | | | | 71.2 | 120.9 | 101 | -178 | 0 | 0 | 0 | 0 | 113.5 | | |
| 346 | L | 36.8 | Very low | 37.1 | Very low | 139 Ų | 139 | 119.8 Ų | 119.8 | 73% | 0.728 | 65% | 0.647 | S | S | * | * | | | | 175.4 | 149.2 | 88.4 | -164.8 | 83.6 | 0 | 0 | 0 | 107.1 | | |
| 347 | E | 35.9 | Very low | 37.3 | Very low | 149 Ų | 149 | 121.4 Ų | 121.4 | 70% | 0.696 | 66% | 0.655 | S | S | * | * | | | cis | -150.8 | 153.5 | -23.4 | -98.9 | 165.4 | 171.2 | 0 | 0 | 105.5 | | |
| 348 | D | 32.3 | Very low | 37.9 | Very low | 123 Ų | 123 | 125.9 Ų | 125.9 | 66% | 0.658 | 66% | 0.663 | S | S | * | * | | | | 56.9 | 127.5 | 79.8 | -115.7 | -25.3 | 0 | 0 | 0 | 114 | | |
| 349 | H | 39.2 | Very low | 38.6 | Very low | 151 Ų | 151 | 131.1 Ų | 131.1 | 70% | 0.699 | 68% | 0.681 | S | S | * | * | | | cis | -151.1 | 164.5 | 42.6 | -83.7 | -50.3 | 0 | 0 | 0 | 117.5 | | |
| 350 | T | 33.8 | Very low | 38.9 | Very low | 118 Ų | 118 | 138.1 Ų | 138.1 | 72% | 0.724 | 71% | 0.714 | S | S | * | * | | | trans | -18.7 | 163.1 | 149.1 | 30.4 | 0 | 0 | 0 | 0 | 119.8 | | |
| 351 | S | 35.8 | Very low | 39.3 | Very low | 89 Ų | 89 | 143.5 Ų | 143.5 | 62% | 0.622 | 73% | 0.729 | S | S | * | * | | | cis | -169.4 | 174.1 | 3.4 | 40.3 | 0 | 0 | 0 | 0 | 111.5 | | |
| 352 | E | 31.5 | Very low | 39.6 | Very low | 174 Ų | 174 | 144 Ų | 144 | 81% | 0.813 | 73% | 0.727 | S | S | * | * | | | trans | 46.2 | 130.5 | 142.9 | -78.8 | -179.6 | 94.4 | 0 | 0 | 121.1 | | |
| 353 | N | 35.2 | Very low | 40 | Very low | 112 Ų | 112 | 148.3 Ų | 148.3 | 60% | 0.599 | 73% | 0.734 | S | S | * | * | | | cis | -169.6 | 179.2 | 25.3 | 61 | 116.3 | 0 | 0 | 0 | 111.4 | | |
| 354 | K | 39.3 | Very low | 40.1 | Very low | 173 Ų | 173 | 150.6 Ų | 150.6 | 75% | 0.752 | 74% | 0.743 | S | S | * | * | | | trans | 92.1 | 142.2 | 151.1 | -116.1 | -179.6 | -150.5 | 60.6 | 0 | 120.7 | | |
| 355 | T | 45.7 | Very low | 39.9 | Very low | 103 Ų | 103 | 148.5 Ų | 148.5 | 63% | 0.632 | 74% | 0.736 | S | S | * | * | | | trans | 87.2 | 96 | 144.3 | -62.4 | 0 | 0 | 0 | 0 | 117.5 | | |
| 356 | D | 46.5 | Very low | 40.2 | Very low | 124 Ų | 124 | 152.1 Ų | 152.1 | 66% | 0.663 | 75% | 0.745 | S | S | * | * | | | trans | 77.5 | 74.3 | 136.9 | -53.2 | 9.2 | 0 | 0 | 0 | 117.7 | K358 | D356-K358 PolarHBondContact O-N 3.49Š|
| 357 | E | 38.2 | Very low | 40.1 | Very low | 209 Ų | 209 | 151.5 Ų | 151.5 | 98% | 0.977 | 74% | 0.741 | S | S | * | * | | | | 24.3 | 37.4 | 95.9 | -151.6 | 176.7 | 175.8 | 0 | 0 | 118.3 | | |
| 358 | K | 45.1 | Very low | 40 | Very low | 188 Ų | 188 | 151.9 Ų | 151.9 | 82% | 0.817 | 75% | 0.747 | S | S | * | * | | | trans | -151.6 | 29.2 | 179.6 | -149.1 | -173 | 178.4 | -179.9 | 0 | 114.7 | D356 | D356-K358 PolarHBondContact O-N 3.49Š|
| 359 | K | 46.9 | Very low | 39.9 | Very low | 161 Ų | 161 | 151.4 Ų | 151.4 | 70% | 0.7 | 75% | 0.748 | S | S | * | * | S | Bend | trans | -147.1 | 13.5 | -177 | -135.8 | 171.4 | -175.2 | 167.3 | 0 | 117.7 | E362 | K359-E362 WeakPolarHBondContact CE-OE2 3.3Å; K359-E362 VanDerWaalsContact CG-OE2 3.23Å; K359-E362 WeakPolarHBondContact CG-OE2 3.35Å |
| 360 | I | 44.1 | Very low | 39.4 | Very low | 171 Ų | 171 | 151 Ų | 151 | 88% | 0.877 | 75% | 0.746 | S | S | * | * | S | Bend | trans | -105.7 | -16.8 | 178.6 | -69.5 | 176.5 | 0 | 0 | 0 | 112.2 | | |
| 361 | E | 48.6 | Very low | 39.2 | Very low | 174 Ų | 174 | 153.2 Ų | 153.2 | 81% | 0.813 | 75% | 0.746 | S | S | * | * | S | Bend | trans | -86 | -12.1 | 172.2 | -63.7 | -178.2 | 122.1 | 0 | 0 | 113.5 | R363 | E361-R363 VanDerWaalsContact C-N 3.31Å; E361-R363 PolarHBondContact O-N 2.9Å; E361-R363 VanDerWaalsContact O-N 3.16Å |
| 362 | E | 46.1 | Very low | 39.1 | Very low | 132 Ų | 132 | 155.1 Ų | 155.1 | 62% | 0.617 | 75% | 0.754 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -74.3 | -5.3 | -166.4 | -149.4 | -168.4 | 158.8 | 0 | 0 | 115.7 | K359 | K359-E362 WeakPolarHBondContact CE-OE2 3.3Å; K359-E362 VanDerWaalsContact CG-OE2 3.23Å; K359-E362 WeakPolarHBondContact CG-OE2 3.35Å |
| 363 | R | 48.2 | Very low | 38.9 | Very low | 240 Ų | 240 | 151.8 Ų | 151.8 | 91% | 0.906 | 75% | 0.75 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -139.9 | 8.9 | -174.7 | -77.1 | -161.4 | 174.4 | -157.3 | -3 | 117.6 | E361 | E361-R363 VanDerWaalsContact C-N 3.31Å; E361-R363 PolarHBondContact O-N 2.9Å; E361-R363 VanDerWaalsContact O-N 3.16Å |
| 364 | K | 39.3 | Very low | 38.7 | Very low | 208 Ų | 208 | 151.7 Ų | 151.7 | 90% | 0.904 | 76% | 0.756 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -136.4 | 0 | 175.4 | -72.7 | -167.2 | 175.1 | -175.7 | 0 | 115.8 | | |
| 365 | A | 35.2 | Very low | 38.1 | Very low | 71 Ų | 71 | 152.4 Ų | 152.4 | 59% | 0.587 | 76% | 0.759 | S | S | * | * | | | trans | -144.7 | 74.1 | -179.4 | 0 | 0 | 0 | 0 | 0 | 113.4 | | |
| 366 | Q | 40 | Very low | 37.3 | Very low | 185 Ų | 185 | 154.1 Ų | 154.1 | 86% | 0.864 | 77% | 0.769 | S | S | * | * | | | trans | -129.7 | 82.5 | 151.6 | -158.9 | 163.3 | 26.6 | 0 | 0 | 106.4 | | |
| 367 | I | 35.1 | Very low | 36.6 | Very low | 126 Ų | 126 | 152.9 Ų | 152.9 | 65% | 0.646 | 77% | 0.771 | S | S | * | * | | | | 70.5 | 94 | 94 | -66.8 | 163.7 | 0 | 0 | 0 | 107.7 | T369 | I367-T369 WeakPolarHBondContact CG2-O 3.41Š|
| 368 | I | 33.9 | Very low | 36.6 | Very low | 158 Ų | 158 | 150.7 Ų | 150.7 | 81% | 0.81 | 77% | 0.765 | S | S | * | * | | | | 49.1 | 91.8 | 59.3 | -54.3 | -179 | 0 | 0 | 0 | 111.1 | | |
| 369 | T | 30.2 | Very low | 36.2 | Very low | 113 Ų | 113 | 146.8 Ų | 146.8 | 69% | 0.693 | 76% | 0.759 | S | S | * | * | | | trans | 71.2 | 136.7 | 168.9 | -47.4 | 0 | 0 | 0 | 0 | 111.7 | I367 | I367-T369 WeakPolarHBondContact CG2-O 3.41Š|
| 370 | E | 29.4 | Very low | 35.5 | Very low | 141 Ų | 141 | 148.9 Ų | 148.9 | 66% | 0.659 | 77% | 0.769 | S | S | * | * | | | cis | -157.6 | 157.6 | 36.5 | -154.2 | 177.5 | 155.8 | 0 | 0 | 112.6 | | |
| 371 | K | 29.3 | Very low | 34.9 | Very low | 166 Ų | 166 | 147.2 Ų | 147.2 | 72% | 0.722 | 76% | 0.761 | S | S | * | * | | | trans | 45.4 | 123.7 | 149.5 | -84.1 | 169.8 | -165.1 | 153.8 | 0 | 122.8 | | |
| 372 | T | 32.4 | Very low | 34.1 | Very low | 128 Ų | 128 | 145.2 Ų | 145.2 | 79% | 0.785 | 76% | 0.76 | S | S | * | * | | | | 87.1 | 122.4 | 126.7 | -54.4 | 0 | 0 | 0 | 0 | 120.5 | | |
| 373 | S | 27.7 | Very low | 33.6 | Very low | 104 Ų | 104 | 142.4 Ų | 142.4 | 73% | 0.727 | 76% | 0.759 | S | S | * | * | | | trans | -39.9 | 158.3 | 162.1 | -128 | 0 | 0 | 0 | 0 | 114.8 | | |
| 374 | P | 31.8 | Very low | 33.1 | Very low | 111 Ų | 111 | 138 Ų | 138 | 72% | 0.721 | 75% | 0.752 | S | S | * | * | | | cis | -147.5 | 177.8 | 31.9 | 42.9 | -22.7 | 0 | 0 | 0 | 118.7 | | |
| 375 | K | 26.4 | Very low | 32.9 | Very low | 188 Ų | 188 | 135.6 Ų | 135.6 | 82% | 0.817 | 74% | 0.744 | S | S | * | * | | | trans | 23.5 | 135.4 | 150.1 | -75.9 | -178.4 | 171.1 | 177.2 | 0 | 120.8 | | |
| 376 | T | 28.6 | Very low | 32.9 | Very low | 138 Ų | 138 | 138 Ų | 138 | 85% | 0.847 | 75% | 0.747 | S | S | * | * | | | trans | 67.2 | 152 | 156.4 | 29.5 | 0 | 0 | 0 | 0 | 116.6 | | |
| 377 | S | 32.6 | Very low | 32.8 | Very low | 99 Ų | 99 | 133.7 Ų | 133.7 | 69% | 0.692 | 74% | 0.738 | S | S | * | * | | | cis | -156.7 | 162.8 | -0.4 | 40.7 | 0 | 0 | 0 | 0 | 111.7 | | |
| 378 | N | 38.4 | Very low | 32.8 | Very low | 162 Ų | 162 | 136.4 Ų | 136.4 | 87% | 0.866 | 75% | 0.747 | S | S | * | * | | | trans | -57.3 | 141.9 | 174.2 | -56.3 | -22.5 | 0 | 0 | 0 | 113.4 | | |
| 379 | P | 36 | Very low | 32.8 | Very low | 107 Ų | 107 | 132.2 Ų | 132.2 | 70% | 0.695 | 74% | 0.736 | S | S | * | * | | | trans | -128.8 | 85.6 | 172.2 | 37.9 | -23 | 0 | 0 | 0 | 115.2 | | |
| 380 | F | 32.5 | Very low | 33 | Very low | 205 Ų | 205 | 133.6 Ų | 133.6 | 90% | 0.899 | 74% | 0.74 | S | S | * | * | | | trans | -173.1 | 101.7 | 150.9 | -125.3 | -98 | 0 | 0 | 0 | 105.8 | | |
| 381 | L | 31.9 | Very low | 33.1 | Very low | 136 Ų | 136 | 136 Ų | 136 | 71% | 0.712 | 74% | 0.744 | S | S | * | * | | | cis | 61.8 | 132.6 | 43.9 | -48 | 178.6 | 0 | 0 | 0 | 111.6 | | |
| 382 | V | 32.2 | Very low | 33.4 | Very low | 132 Ų | 132 | 133.2 Ų | 133.2 | 80% | 0.8 | 74% | 0.741 | S | S | * | * | | | cis | -159.2 | 150.8 | -2.1 | 111.4 | 0 | 0 | 0 | 0 | 105.6 | | |
| 383 | A | 34.6 | Very low | 33.5 | Very low | 72 Ų | 72 | 131.7 Ų | 131.7 | 60% | 0.595 | 73% | 0.732 | S | S | * | * | | | | -175.8 | 172.6 | 63.1 | 0 | 0 | 0 | 0 | 0 | 112.5 | | |
| 384 | I | 37.6 | Very low | 34 | Very low | 148 Ų | 148 | 132.3 Ų | 132.3 | 76% | 0.759 | 73% | 0.731 | S | S | * | * | | | trans | 69 | 98.5 | 152.7 | -67.9 | 165.2 | 0 | 0 | 0 | 114.8 | | |
| 385 | H | 34.6 | Very low | 34.4 | Very low | 157 Ų | 157 | 132.6 Ų | 132.6 | 73% | 0.727 | 73% | 0.727 | S | S | * | * | | | | 76.7 | 138 | 89.3 | -90.5 | -115.6 | 0 | 0 | 0 | 112.7 | | |
| 386 | D | 36 | Very low | 34.9 | Very low | 121 Ų | 121 | 129.7 Ų | 129.7 | 65% | 0.647 | 72% | 0.72 | S | S | * | * | | | cis | -157.3 | 165.1 | 7.9 | -143.8 | -13.5 | 0 | 0 | 0 | 113 | | |
| 387 | S | 36.9 | Very low | 35.3 | Very low | 96 Ų | 96 | 130.1 Ų | 130.1 | 67% | 0.671 | 72% | 0.716 | S | S | * | * | | | trans | 56.8 | 166.2 | 150.3 | 67.8 | 0 | 0 | 0 | 0 | 120.4 | | |
| 388 | E | 35.5 | Very low | 35.2 | Very low | 182 Ų | 182 | 130.1 Ų | 130.1 | 85% | 0.85 | 72% | 0.716 | S | S | * | * | | | cis | 175.7 | 140.9 | -32.2 | -179.2 | -179.4 | 166 | 0 | 0 | 105.1 | | |
| 389 | A | 34.3 | Very low | 34.9 | Very low | 70 Ų | 70 | 131.3 Ų | 131.3 | 58% | 0.579 | 71% | 0.713 | S | S | * | * | | | cis | -160.5 | -161.1 | -27.5 | 0 | 0 | 0 | 0 | 0 | 105.7 | | |
| 390 | D | 34.2 | Very low | 34.7 | Very low | 143 Ų | 143 | 132 Ų | 132 | 77% | 0.765 | 72% | 0.715 | S | S | * | * | | | trans | 60.3 | 136.7 | 139.2 | -81.1 | 22.7 | 0 | 0 | 0 | 121.8 | | |
| 391 | Y | 31.7 | Very low | 34.6 | Very low | 190 Ų | 190 | 126.7 Ų | 126.7 | 75% | 0.745 | 70% | 0.7 | S | S | * | * | | | cis | -167.8 | 173.1 | -11.5 | -162.4 | -158.1 | 0 | 0 | 0 | 109.9 | | |
| 392 | V | 35.1 | Very low | 34.5 | Very low | 108 Ų | 108 | 129 Ų | 129 | 66% | 0.655 | 71% | 0.708 | S | S | * | * | | | trans | 73.1 | 145.4 | 147.3 | 139.3 | 0 | 0 | 0 | 0 | 118.2 | | |
| 393 | T | 34.1 | Very low | 34.4 | Very low | 97 Ų | 97 | 126.5 Ų | 126.5 | 60% | 0.595 | 70% | 0.7 | S | S | * | * | | | cis | 178.5 | -170.1 | -28 | -96.8 | 0 | 0 | 0 | 0 | 104.9 | | |
| 394 | T | 38.2 | Very low | 34.2 | Very low | 116 Ų | 116 | 129.6 Ų | 129.6 | 71% | 0.712 | 71% | 0.711 | S | S | * | * | | | trans | 86.5 | 130.9 | 168.5 | 73.9 | 0 | 0 | 0 | 0 | 114.3 | | |
| 395 | D | 41.7 | Very low | 34.1 | Very low | 118 Ų | 118 | 128.8 Ų | 128.8 | 63% | 0.631 | 71% | 0.713 | S | S | * | * | | | cis | -161.7 | 150.8 | 1.9 | -125.4 | 15.1 | 0 | 0 | 0 | 115.6 | | |
| 396 | N | 37.1 | Very low | 34.1 | Very low | 127 Ų | 127 | 124.9 Ų | 124.9 | 68% | 0.679 | 71% | 0.708 | S | S | * | * | | | trans | 64.6 | 151.5 | 150.7 | -58.1 | -37.8 | 0 | 0 | 0 | 119.1 | | |
| 397 | L | 37.1 | Very low | 33.8 | Very low | 147 Ų | 147 | 125.6 Ų | 125.6 | 77% | 0.77 | 72% | 0.717 | S | S | * | * | | | cis | -156.9 | 129.2 | -4.5 | -150 | 65.2 | 0 | 0 | 0 | 105.8 | | |
| 398 | S | 28.9 | Very low | 34 | Very low | 98 Ų | 98 | 129.6 Ų | 129.6 | 69% | 0.685 | 73% | 0.727 | S | S | * | * | | | cis | 73.3 | 96.7 | 49.2 | -168 | 0 | 0 | 0 | 0 | 116.3 | | |
| 399 | K | 32.3 | Very low | 34.1 | Very low | 187 Ų | 187 | 125.7 Ų | 125.7 | 81% | 0.813 | 72% | 0.718 | S | S | * | * | | | | 162.3 | 141.1 | 129.3 | -96.7 | -170.1 | 169.8 | -175.5 | 0 | 116.6 | | |
| 400 | V | 33.1 | Very low | 34.1 | Very low | 121 Ų | 121 | 131.5 Ų | 131.5 | 73% | 0.733 | 73% | 0.733 | S | S | * | * | | | trans | 68.8 | 144.7 | 134.8 | 168.2 | 0 | 0 | 0 | 0 | 119.4 | | |
| 401 | T | 29.2 | Very low | 33.9 | Very low | 95 Ų | 95 | 128.2 Ų | 128.2 | 58% | 0.583 | 73% | 0.732 | S | S | * | * | | | cis | -176.9 | 147.1 | -20 | -82.9 | 0 | 0 | 0 | 0 | 108.1 | | |
| 402 | E | 29.9 | Very low | 34.2 | Very low | 185 Ų | 185 | 127.4 Ų | 127.4 | 86% | 0.864 | 74% | 0.74 | S | S | * | * | | | trans | 61.7 | 161.7 | 164.3 | -75.3 | 166.3 | 144.1 | 0 | 0 | 118 | | |
| 403 | A | 30.4 | Very low | 35 | Very low | 78 Ų | 78 | 128.5 Ų | 128.5 | 65% | 0.645 | 75% | 0.747 | S | S | * | * | | | cis | -169.8 | 156 | -29.7 | 0 | 0 | 0 | 0 | 0 | 112.2 | | |
| 404 | V | 31.1 | Very low | 35.5 | Very low | 137 Ų | 137 | 129.7 Ų | 129.7 | 83% | 0.83 | 76% | 0.757 | S | S | * | * | | | trans | 71.4 | 148.5 | 148.3 | 164.4 | 0 | 0 | 0 | 0 | 118.9 | | |
| 405 | V | 35.8 | Very low | 35.4 | Very low | 131 Ų | 131 | 131.4 Ų | 131.4 | 79% | 0.794 | 76% | 0.761 | S | S | * | * | | | trans | 67 | 133.3 | -174.2 | -157.9 | 0 | 0 | 0 | 0 | 115 | | |
| 406 | A | 34.6 | Very low | 35.3 | Very low | 75 Ų | 75 | 132.7 Ų | 132.7 | 62% | 0.62 | 77% | 0.768 | S | S | * | * | | | cis | 139.9 | 129 | -25.3 | 0 | 0 | 0 | 0 | 0 | 112 | | |
| 407 | T | 29.3 | Very low | 35.8 | Very low | 136 Ų | 136 | 133.1 Ų | 133.1 | 83% | 0.834 | 77% | 0.774 | S | S | * | * | | | trans | 67.1 | 148.6 | 155.8 | 53.3 | 0 | 0 | 0 | 0 | 122.6 | | |
| 408 | M | 39.9 | Very low | 35.9 | Very low | 180 Ų | 180 | 133.2 Ų | 133.2 | 89% | 0.887 | 77% | 0.771 | S | S | * | * | | | trans | 89.4 | 149.6 | 158.2 | -88.6 | -153.6 | 137.6 | 0 | 0 | 119.9 | | |
| 409 | P | 39.2 | Very low | 36.8 | Very low | 101 Ų | 101 | 136.3 Ų | 136.3 | 66% | 0.656 | 77% | 0.774 | S | S | * | * | | | | -142.6 | -150 | -116 | 45 | -23.4 | 0 | 0 | 0 | 114.6 | | |
| 410 | E | 33.3 | Very low | 37.4 | Very low | 192 Ų | 192 | 131.6 Ų | 131.6 | 90% | 0.897 | 77% | 0.77 | S | S | * | * | | | trans | -53.4 | 149.4 | 172 | -63 | 149.7 | 103.4 | 0 | 0 | 114.4 | | |
| 411 | G | 31.1 | Very low | 37.5 | Very low | 73 Ų | 73 | 131 Ų | 131 | 75% | 0.753 | 77% | 0.771 | S | S | * | * | | | trans | -171.3 | 138.7 | 169.7 | 0 | 0 | 0 | 0 | 0 | 111.2 | | |
| 412 | L | 37.1 | Very low | 38.2 | Very low | 173 Ų | 173 | 134.6 Ų | 134.6 | 91% | 0.906 | 78% | 0.781 | S | S | * | * | | | trans | -75.4 | 156.1 | 179.4 | -87.3 | 71.7 | 0 | 0 | 0 | 112 | | |
| 413 | T | 51.3 | Low | 38.4 | Very low | 132 Ų | 132 | 131.9 Ų | 131.9 | 81% | 0.81 | 78% | 0.782 | S | S | * | * | S | Bend | trans | -68.1 | 158.5 | 158.6 | 46.9 | 0 | 0 | 0 | 0 | 111.4 | | |
| 414 | P | 44.9 | Very low | 38.7 | Very low | 121 Ų | 121 | 135.4 Ų | 135.4 | 79% | 0.786 | 79% | 0.786 | S | S | * | * | | | cis | -132.4 | 161.2 | -46.9 | 37.3 | -23.4 | 0 | 0 | 0 | 111.8 | | |
| 415 | D | 37.4 | Very low | 39.1 | Very low | 152 Ų | 152 | 137.2 Ų | 137.2 | 81% | 0.813 | 79% | 0.789 | S | S | * | * | | | trans | -148.1 | 159.5 | 172.4 | -169.2 | 27.5 | 0 | 0 | 0 | 113.7 | | |
| 416 | L | 39 | Very low | 39.2 | Very low | 146 Ų | 146 | 135.9 Ų | 135.9 | 76% | 0.764 | 78% | 0.778 | S | S | * | * | | | trans | 80.1 | 65.4 | 154.2 | -148.1 | 76 | 0 | 0 | 0 | 120.8 | | |
| 417 | V | 46.1 | Very low | 39.2 | Very low | 135 Ų | 135 | 141.4 Ų | 141.4 | 82% | 0.818 | 79% | 0.791 | S | S | * | * | | | | -162.3 | 136.8 | 129.3 | -99.1 | 0 | 0 | 0 | 0 | 108.8 | | |
| 418 | Q | 40.9 | Very low | 39.6 | Very low | 150 Ų | 150 | 138.9 Ų | 138.9 | 70% | 0.701 | 78% | 0.784 | S | S | * | * | S | Bend | cis | -158.9 | 152.4 | 2.2 | 176.7 | 168.7 | -47.5 | 0 | 0 | 110.6 | | |
| 419 | E | 46.6 | Very low | 39.5 | Very low | 162 Ų | 162 | 137 Ų | 137 | 76% | 0.757 | 78% | 0.783 | S | S | * | * | | | trans | 56 | 108.3 | 169.6 | -75.7 | 165.1 | 116 | 0 | 0 | 117.2 | | |
| 420 | A | 46.1 | Very low | 39.2 | Very low | 88 Ų | 88 | 135.3 Ų | 135.3 | 73% | 0.727 | 78% | 0.783 | S | S | * | * | | | | 89.9 | 145.7 | 56.4 | 0 | 0 | 0 | 0 | 0 | 113.7 | | |
| 421 | C | 34.7 | Very low | 39.3 | Very low | 109 Ų | 109 | 132.3 Ų | 132.3 | 74% | 0.736 | 78% | 0.779 | S | S | * | * | | | trans | 66.7 | 131 | -172.3 | -57.9 | 0 | 0 | 0 | 0 | 114.8 | | |
| 422 | E | 43.3 | Very low | 39.6 | Very low | 170 Ų | 170 | 137.4 Ų | 137.4 | 79% | 0.794 | 78% | 0.78 | S | S | * | * | | | cis | -159.6 | 131.6 | -10.2 | -132.2 | 150.6 | -124.4 | 0 | 0 | 110 | | |
| 423 | S | 35.2 | Very low | 39.6 | Very low | 129 Ų | 129 | 136.3 Ų | 136.3 | 90% | 0.902 | 77% | 0.773 | S | S | * | * | | | trans | -137.6 | 62.6 | 173.8 | 68.6 | 0 | 0 | 0 | 0 | 110.1 | | |
| 424 | E | 36.4 | Very low | 39 | Very low | 152 Ų | 152 | 134.1 Ų | 134.1 | 71% | 0.71 | 77% | 0.769 | S | S | * | * | | | trans | -110.2 | 139.2 | 177.5 | -143.3 | 168.7 | 120.7 | 0 | 0 | 111.2 | N426 | E424-N426 WeakPolarHBondContact CG-OD1 3.31Å; E424-N426 PolarHBondContact OE1-ND2 3.1Å |
| 425 | L | 38.8 | Very low | 38.5 | Very low | 174 Ų | 174 | 138.1 Ų | 138.1 | 91% | 0.911 | 77% | 0.769 | S | S | * | * | | | trans | -122.9 | 78.6 | -170.6 | -165.1 | 174.7 | 0 | 0 | 0 | 108.3 | | |
| 426 | N | 38.2 | Very low | 38.6 | Very low | 104 Ų | 104 | 137.7 Ų | 137.7 | 56% | 0.556 | 76% | 0.763 | S | S | * | * | | | trans | -154.9 | 92.1 | -176.6 | 47.3 | -5.7 | 0 | 0 | 0 | 113.1 | E424 | E424-N426 WeakPolarHBondContact CG-OD1 3.31Å; E424-N426 PolarHBondContact OE1-ND2 3.1Å |
| 427 | E | 34.4 | Very low | 38.4 | Very low | 191 Ų | 191 | 136.1 Ų | 136.1 | 89% | 0.893 | 76% | 0.759 | S | S | * | * | | | | 12 | 135.2 | 128.5 | -165.6 | 171.2 | -173.5 | 0 | 0 | 120 | | |
| 428 | A | 37.2 | Very low | 38.2 | Very low | 83 Ų | 83 | 136.7 Ų | 136.7 | 69% | 0.686 | 75% | 0.751 | S | S | * | * | | | trans | 87.9 | 126.6 | 160.8 | 0 | 0 | 0 | 0 | 0 | 120.3 | | |
| 429 | T | 37.5 | Very low | 38 | Very low | 140 Ų | 140 | 134.5 Ų | 134.5 | 86% | 0.859 | 75% | 0.747 | S | S | * | * | | | trans | 61 | 97.3 | 158.1 | -36.5 | 0 | 0 | 0 | 0 | 116.2 | | |
| 430 | G | 33.1 | Very low | 37.7 | Very low | 65 Ų | 65 | 133 Ų | 133 | 67% | 0.67 | 74% | 0.744 | S | S | * | * | | | cis | 91.7 | 107.8 | 22.6 | 0 | 0 | 0 | 0 | 0 | 112.5 | | |
| 431 | T | 36.7 | Very low | 37.1 | Very low | 130 Ų | 130 | 135.1 Ų | 135.1 | 80% | 0.798 | 74% | 0.743 | S | S | * | * | | | trans | 177.8 | 134.4 | 157.4 | -79.4 | 0 | 0 | 0 | 0 | 111.5 | | |
| 432 | K | 36.7 | Very low | 37.4 | Very low | 180 Ų | 180 | 135.7 Ų | 135.7 | 78% | 0.783 | 74% | 0.743 | S | S | * | * | | | trans | 61.7 | 125.7 | 170 | -75.5 | 178 | 170.8 | -176.4 | 0 | 117.7 | | |
| 433 | I | 37.6 | Very low | 37 | Very low | 150 Ų | 150 | 135.7 Ų | 135.7 | 77% | 0.769 | 74% | 0.743 | S | S | * | * | | | cis | 97.9 | 142.4 | 38.9 | -70.6 | 163.3 | 0 | 0 | 0 | 112.5 | | |
| 434 | A | 39.1 | Very low | 37.2 | Very low | 86 Ų | 86 | 135.7 Ų | 135.7 | 71% | 0.711 | 74% | 0.737 | S | S | * | * | | | trans | 84 | 112.2 | -169.3 | 0 | 0 | 0 | 0 | 0 | 112.1 | | |
| 435 | Y | 33.3 | Very low | 37.2 | Very low | 204 Ų | 204 | 133.2 Ų | 133.2 | 80% | 0.8 | 74% | 0.737 | S | S | * | * | | | cis | 63.1 | 94 | 21.4 | -56.3 | -77.4 | 0 | 0 | 0 | 116.5 | | |
| 436 | E | 40.7 | Very low | 37.1 | Very low | 144 Ų | 144 | 132.8 Ų | 132.8 | 67% | 0.673 | 73% | 0.73 | S | S | * | * | | | trans | -151.3 | 130.6 | 133.3 | -76 | -166.7 | 150.5 | 0 | 0 | 105.5 | K438 | E436-K438 WeakPolarHBondContact OE1-CE 3.26Å; E436-K438 IonicContact OE1-NZ 2.67Å; E436-K438 PolarHBondContact OE1-NZ 2.93Å; E436-K438 IonicContact OE2-NZ 2.63Å; E436-K438 PolarHBondContact OE2-NZ 3.49Å |
| 437 | T | 33.5 | Very low | 37 | Very low | 112 Ų | 112 | 132.2 Ų | 132.2 | 69% | 0.687 | 74% | 0.74 | S | S | * | * | | | cis | 60 | 76.3 | 9 | -45.5 | 0 | 0 | 0 | 0 | 113.9 | V439 | T437-V439 HydrophobicContact CG2-CG2 4.26Š|
| 438 | K | 41.8 | Very low | 37 | Very low | 148 Ų | 148 | 129.5 Ų | 129.5 | 64% | 0.643 | 73% | 0.73 | S | S | * | * | | | trans | -120 | 74 | 155.4 | -78.9 | -160.9 | 162.7 | 93.6 | 0 | 110.4 | E436 | E436-K438 WeakPolarHBondContact OE1-CE 3.26Å; E436-K438 IonicContact OE1-NZ 2.67Å; E436-K438 PolarHBondContact OE1-NZ 2.93Å; E436-K438 IonicContact OE2-NZ 2.63Å; E436-K438 PolarHBondContact OE2-NZ 3.49Å |
| 439 | V | 37.5 | Very low | 36.8 | Very low | 103 Ų | 103 | 132.2 Ų | 132.2 | 62% | 0.624 | 73% | 0.728 | S | S | * | * | | | trans | -80.8 | 113.5 | 148.6 | -80.9 | 0 | 0 | 0 | 0 | 106.8 | T437 | T437-V439 HydrophobicContact CG2-CG2 4.26Š|
| 440 | D | 39.6 | Very low | 36.5 | Very low | 130 Ų | 130 | 132.9 Ų | 132.9 | 70% | 0.695 | 72% | 0.722 | S | S | * | * | | | trans | -148.9 | 89.4 | -177.6 | -165.3 | 13 | 0 | 0 | 0 | 105.7 | | |
| 441 | L | 34.3 | Very low | 36.5 | Very low | 134 Ų | 134 | 134.8 Ų | 134.8 | 70% | 0.702 | 73% | 0.725 | S | S | * | * | | | cis | 77.5 | 33.4 | 45.8 | -151.7 | 70.3 | 0 | 0 | 0 | 114.8 | | |
| 442 | V | 41.2 | Very low | 36.3 | Very low | 120 Ų | 120 | 135.6 Ų | 135.6 | 73% | 0.727 | 72% | 0.723 | S | S | * | * | | | trans | -128.2 | 100.7 | 155.8 | -174.3 | 0 | 0 | 0 | 0 | 107 | | |
| 443 | Q | 34.1 | Very low | 36 | Very low | 171 Ų | 171 | 137.2 Ų | 137.2 | 80% | 0.799 | 73% | 0.725 | S | S | * | * | | | | 79.3 | 76.5 | 63.1 | -167.3 | -167.6 | -3.6 | 0 | 0 | 114.3 | | |
| 444 | T | 39.5 | Very low | 36 | Very low | 129 Ų | 129 | 134.7 Ų | 134.7 | 79% | 0.791 | 72% | 0.719 | S | S | * | * | | | trans | -161.6 | 111.6 | 140.7 | 35.9 | 0 | 0 | 0 | 0 | 106.4 | | |
| 445 | S | 35.6 | Very low | 35.6 | Very low | 99 Ų | 99 | 136.8 Ų | 136.8 | 69% | 0.692 | 72% | 0.723 | S | S | * | * | | | cis | 78.1 | 138.3 | 47.7 | 80.6 | 0 | 0 | 0 | 0 | 114.4 | | |
| 446 | E | 38.6 | Very low | 35.6 | Very low | 166 Ų | 166 | 131 Ų | 131 | 78% | 0.776 | 72% | 0.717 | S | S | * | * | | | trans | 73.1 | 106.2 | 176.7 | -142.7 | 158.8 | -166.7 | 0 | 0 | 113.5 | | |
| 447 | A | 34.4 | Very low | 35.4 | Very low | 91 Ų | 91 | 132.2 Ų | 132.2 | 75% | 0.752 | 72% | 0.723 | S | S | * | * | | | cis | 80.5 | 165.3 | 31.4 | 0 | 0 | 0 | 0 | 0 | 115 | | |
| 448 | I | 35.2 | Very low | 35.5 | Very low | 134 Ų | 134 | 133.7 Ų | 133.7 | 69% | 0.687 | 73% | 0.726 | S | S | * | * | | | trans | 75.3 | 116 | 179.4 | -56.7 | 169 | 0 | 0 | 0 | 112.5 | | |
| 449 | Q | 33.3 | Very low | 34.9 | Very low | 140 Ų | 140 | 132 Ų | 132 | 65% | 0.654 | 73% | 0.731 | S | S | * | * | | | cis | 92.3 | 132.9 | 38.2 | -177.4 | -176.6 | -5.6 | 0 | 0 | 113.2 | | |
| 450 | E | 31.4 | Very low | 35 | Very low | 155 Ų | 155 | 132.4 Ų | 132.4 | 72% | 0.724 | 74% | 0.736 | S | S | * | * | | | trans | 67 | 165.6 | 160.2 | -81.8 | 163.8 | -149.4 | 0 | 0 | 121.7 | | |
| 451 | S | 32.4 | Very low | 34.4 | Very low | 105 Ų | 105 | 131.3 Ų | 131.3 | 73% | 0.734 | 74% | 0.739 | S | S | * | * | | | trans | 68 | 124.7 | 176.3 | 66.7 | 0 | 0 | 0 | 0 | 116.8 | | |
| 452 | I | 32.8 | Very low | 34.3 | Very low | 146 Ų | 146 | 133.3 Ų | 133.3 | 75% | 0.749 | 74% | 0.742 | S | S | * | * | | | cis | 78.8 | 94.3 | 39.3 | -56.1 | 171.7 | 0 | 0 | 0 | 112.3 | | |
| 453 | Y | 30.2 | Very low | 33.9 | Very low | 214 Ų | 214 | 134.3 Ų | 134.3 | 84% | 0.839 | 74% | 0.739 | S | S | * | * | | | trans | 67.7 | 169 | 158.6 | -77.9 | -116.1 | 0 | 0 | 0 | 116.1 | | |
| 454 | P | 37.3 | Very low | 33.7 | Very low | 98 Ų | 98 | 134.6 Ų | 134.6 | 64% | 0.636 | 74% | 0.74 | S | S | * | * | | | | -142.7 | -172.4 | -54.5 | 42.4 | -26.3 | 0 | 0 | 0 | 113.9 | | |
| 455 | T | 31.1 | Very low | 33.3 | Very low | 129 Ų | 129 | 132.5 Ų | 132.5 | 79% | 0.791 | 74% | 0.736 | S | S | * | * | | | trans | 77.1 | 130.9 | 144.2 | -63.5 | 0 | 0 | 0 | 0 | 120.1 | | |
| 456 | A | 34.2 | Very low | 33.2 | Very low | 83 Ų | 83 | 137 Ų | 137 | 69% | 0.686 | 75% | 0.746 | S | S | * | * | | | trans | 68.8 | 143.2 | 160.2 | 0 | 0 | 0 | 0 | 0 | 117.4 | | |
| 457 | Q | 35.9 | Very low | 33.2 | Very low | 169 Ų | 169 | 133.3 Ų | 133.3 | 79% | 0.79 | 74% | 0.744 | S | S | * | * | | | cis | -153.6 | 149.9 | -9.4 | -123.6 | 178.2 | -14.2 | 0 | 0 | 110.6 | | |
| 458 | L | 35.7 | Very low | 33.7 | Very low | 144 Ų | 144 | 134.4 Ų | 134.4 | 75% | 0.754 | 74% | 0.742 | S | S | * | * | | | trans | 48.4 | 100.8 | 146.6 | -69.1 | 164.3 | 0 | 0 | 0 | 119.3 | | |
| 459 | C | 28.9 | Very low | 34.3 | Very low | 112 Ų | 112 | 134.3 Ų | 134.3 | 76% | 0.757 | 75% | 0.749 | S | S | * | * | | | | -24.7 | 155.8 | 123.8 | -57 | 0 | 0 | 0 | 0 | 114.1 | | |
| 460 | P | 38.6 | Very low | 34.4 | Very low | 111 Ų | 111 | 132.1 Ų | 132.1 | 72% | 0.721 | 75% | 0.75 | S | S | * | * | | | cis | -155.7 | 170.2 | 45.4 | 45.1 | -25.2 | 0 | 0 | 0 | 119.7 | | |
| 461 | S | 28.4 | Very low | 35.1 | Very low | 108 Ų | 108 | 130.7 Ų | 130.7 | 76% | 0.755 | 75% | 0.754 | S | S | * | * | | | trans | 58.6 | 159.5 | 135.5 | -67.7 | 0 | 0 | 0 | 0 | 123.1 | | |
| 462 | F | 32.6 | Very low | 35.7 | Very low | 175 Ų | 175 | 132.1 Ų | 132.1 | 77% | 0.768 | 76% | 0.758 | S | S | * | * | | | trans | 69.8 | 130.1 | 173.7 | -86.7 | -128.9 | 0 | 0 | 0 | 113.9 | | |
| 463 | E | 31.9 | Very low | 36.4 | Very low | 142 Ų | 142 | 132 Ų | 132 | 66% | 0.664 | 76% | 0.758 | S | S | * | * | | | cis | 96.7 | 131.4 | 42.2 | -171.8 | 170.9 | 136.3 | 0 | 0 | 110.7 | | |
| 464 | E | 29.6 | Very low | 37.4 | Very low | 176 Ų | 176 | 127.4 Ų | 127.4 | 82% | 0.822 | 75% | 0.754 | S | S | * | * | | | trans | 63.3 | 129.1 | 177.1 | -77 | -165.4 | 102.5 | 0 | 0 | 122.2 | | |
| 465 | A | 32 | Very low | 37.7 | Very low | 85 Ų | 85 | 128.1 Ų | 128.1 | 70% | 0.702 | 75% | 0.753 | S | S | * | * | | | | 76.6 | 160.8 | 127 | 0 | 0 | 0 | 0 | 0 | 123.7 | | |
| 466 | E | 33.7 | Very low | 38.2 | Very low | 194 Ų | 194 | 130 Ų | 130 | 91% | 0.907 | 76% | 0.757 | S | S | * | * | | | trans | 63.8 | 150.2 | 167.8 | -71.6 | -168.9 | 86.4 | 0 | 0 | 119.4 | | |
| 467 | A | 38.2 | Very low | 38.9 | Very low | 88 Ų | 88 | 130.9 Ų | 130.9 | 73% | 0.727 | 75% | 0.753 | S | S | * | * | | | cis | -132.5 | 164.5 | 4.5 | 0 | 0 | 0 | 0 | 0 | 113 | | |
| 468 | T | 43.8 | Very low | 39.5 | Very low | 115 Ų | 115 | 131 Ų | 131 | 71% | 0.706 | 76% | 0.755 | S | S | * | * | | | trans | -86 | -174 | -178.2 | 57.8 | 0 | 0 | 0 | 0 | 113.3 | | |
| 469 | P | 47.8 | Very low | 40.1 | Very low | 131 Ų | 131 | 131.1 Ų | 131.1 | 85% | 0.851 | 75% | 0.752 | S | S | * | * | | | | -134.4 | 141.9 | 96.7 | 36.5 | -26.4 | 0 | 0 | 0 | 114.7 | | |
| 470 | S | 36.6 | Very low | 40.9 | Very low | 95 Ų | 95 | 130.1 Ų | 130.1 | 66% | 0.664 | 75% | 0.752 | S | S | * | * | | | trans | -106.1 | 160.5 | 179.9 | -52.6 | 0 | 0 | 0 | 0 | 113.5 | | |
| 471 | P | 44.5 | Very low | 40.9 | Very low | 125 Ų | 125 | 130.9 Ų | 130.9 | 81% | 0.812 | 76% | 0.757 | S | S | * | * | | | | -140.2 | 153.9 | 124.9 | 36.7 | -24.6 | 0 | 0 | 0 | 112.5 | | |
| 472 | V | 45.9 | Very low | 41.1 | Very low | 135 Ų | 135 | 133 Ų | 133 | 82% | 0.818 | 76% | 0.759 | S | S | * | * | | | cis | -158.7 | 169.9 | -13.7 | 99.1 | 0 | 0 | 0 | 0 | 108.5 | | |
| 473 | L | 47.6 | Very low | 41 | Very low | 143 Ų | 143 | 131.6 Ų | 131.6 | 75% | 0.749 | 76% | 0.76 | S | S | * | * | | | trans | -119.8 | 156.7 | 173.9 | -136.8 | 78.6 | 0 | 0 | 0 | 111.5 | D475 | L473-D475 HydrophobicContact CD2-CB 4.2Š|
| 474 | P | 51.5 | Low | 41.2 | Very low | 117 Ų | 117 | 130.2 Ų | 130.2 | 76% | 0.76 | 77% | 0.765 | S | S | * | * | | | | -134.2 | 143.2 | 92.1 | 35 | -22.3 | 0 | 0 | 0 | 112.6 | | |
| 475 | D | 43.8 | Very low | 41.5 | Very low | 113 Ų | 113 | 129.7 Ų | 129.7 | 60% | 0.604 | 77% | 0.767 | S | S | * | * | | | | 71.1 | 93.5 | 57.5 | -176.5 | 30 | 0 | 0 | 0 | 113.9 | L473 | L473-D475 HydrophobicContact CD2-CB 4.2Š|
| 476 | I | 41.3 | Very low | 41.7 | Very low | 170 Ų | 170 | 132.5 Ų | 132.5 | 87% | 0.872 | 77% | 0.77 | S | S | * | * | | | trans | -143.1 | 117.1 | 139.3 | -44.9 | 177.7 | 0 | 0 | 0 | 108.3 | | |
| 477 | V | 48.9 | Very low | 41.9 | Very low | 101 Ų | 101 | 129.1 Ų | 129.1 | 61% | 0.612 | 77% | 0.765 | S | S | * | * | | | trans | -78.2 | 150.3 | 169.7 | 174.5 | 0 | 0 | 0 | 0 | 110.9 | E479 | V477-E479 HydrophobicContact CG1-CG 4.23Š|
| 478 | M | 48.7 | Very low | 41.6 | Very low | 170 Ų | 170 | 129.3 Ų | 129.3 | 84% | 0.837 | 76% | 0.761 | S | S | * | * | | | trans | -176.7 | 100.1 | 144 | -92.8 | -84.9 | -75.9 | 0 | 0 | 107.3 | | |
| 479 | E | 48.1 | Very low | 41 | Very low | 148 Ų | 148 | 130.5 Ų | 130.5 | 69% | 0.692 | 77% | 0.768 | S | S | * | * | | | | 68.6 | 111.7 | 85.6 | -69.6 | -67.3 | 172.7 | 0 | 0 | 113.6 | V477 | V477-E479 HydrophobicContact CG1-CG 4.23Š|
| 480 | A | 46.1 | Very low | 40.4 | Very low | 90 Ų | 90 | 127.8 Ų | 127.8 | 74% | 0.744 | 76% | 0.764 | S | S | * | * | | | trans | -80.6 | 147.6 | 159.3 | 0 | 0 | 0 | 0 | 0 | 108.9 | | |
| 481 | P | 38.2 | Very low | 40.2 | Very low | 128 Ų | 128 | 127.9 Ų | 127.9 | 83% | 0.831 | 77% | 0.77 | S | S | * | * | | | | -145.9 | 172.5 | 121.4 | 35.4 | -20.1 | 0 | 0 | 0 | 115 | | |
| 482 | L | 33.1 | Very low | 39.8 | Very low | 151 Ų | 151 | 127.5 Ų | 127.5 | 79% | 0.791 | 77% | 0.77 | S | S | * | * | | | trans | -78.5 | 164.1 | 176 | -61.9 | 167.2 | 0 | 0 | 0 | 113.1 | | |
| 483 | N | 30.9 | Very low | 39.2 | Very low | 147 Ų | 147 | 127.5 Ų | 127.5 | 79% | 0.786 | 77% | 0.77 | S | S | * | * | | | trans | 89.9 | 153.8 | 150.3 | -56.9 | -44.7 | 0 | 0 | 0 | 121 | | |
| 484 | S | 35.6 | Very low | 38.7 | Very low | 112 Ų | 112 | 124.7 Ų | 124.7 | 78% | 0.783 | 77% | 0.768 | S | S | * | * | | | trans | 81.3 | 88.3 | 162.8 | 65.4 | 0 | 0 | 0 | 0 | 120.7 | | |
| 485 | L | 34.6 | Very low | 38 | Very low | 166 Ų | 166 | 127.3 Ų | 127.3 | 87% | 0.869 | 77% | 0.77 | S | S | * | * | | | | 68.1 | 137.2 | 109.1 | -158.8 | 67.3 | 0 | 0 | 0 | 121.7 | | |
| 486 | L | 37.2 | Very low | 37.6 | Very low | 144 Ų | 144 | 127.5 Ų | 127.5 | 75% | 0.754 | 78% | 0.778 | S | S | * | * | | | trans | -32.1 | 147.8 | 162.6 | -103.9 | 68.3 | 0 | 0 | 0 | 116.1 | | |
| 487 | P | 37.3 | Very low | 36.9 | Very low | 123 Ų | 123 | 124.2 Ų | 124.2 | 80% | 0.799 | 77% | 0.769 | S | S | * | * | | | | -132.5 | 153.4 | 67.6 | 23.9 | -3.3 | 0 | 0 | 0 | 114.4 | | |
| 488 | S | 31.9 | Very low | 36.2 | Very low | 92 Ų | 92 | 124.2 Ų | 124.2 | 64% | 0.643 | 78% | 0.78 | S | S | * | * | | | cis | 82.8 | 105.5 | 47.6 | -174.4 | 0 | 0 | 0 | 0 | 115.2 | | |
| 489 | T | 32.4 | Very low | 35.6 | Very low | 140 Ų | 140 | 121.6 Ų | 121.6 | 86% | 0.859 | 78% | 0.778 | S | S | * | * | | | trans | 79.7 | 119.9 | 138.5 | -48.7 | 0 | 0 | 0 | 0 | 121.9 | | |
| 490 | G | 34.8 | Very low | 35.2 | Very low | 74 Ų | 74 | 120.4 Ų | 120.4 | 76% | 0.763 | 78% | 0.784 | S | S | * | * | | | trans | 113.9 | 150.6 | 142.6 | 0 | 0 | 0 | 0 | 0 | 116.1 | | |
| 491 | A | 32.9 | Very low | 34.4 | Very low | 96 Ų | 96 | 123.1 Ų | 123.1 | 79% | 0.793 | 79% | 0.785 | S | S | * | * | | | cis | -171.6 | -175.4 | -13.2 | 0 | 0 | 0 | 0 | 0 | 108.4 | | |
| 492 | S | 34 | Very low | 34.5 | Very low | 117 Ų | 117 | 126.2 Ų | 126.2 | 82% | 0.818 | 79% | 0.788 | S | S | * | * | | | trans | 69.7 | 151 | 171.8 | -94.6 | 0 | 0 | 0 | 0 | 116.3 | | |
| 493 | V | 35 | Very low | 34.7 | Very low | 135 Ų | 135 | 124.1 Ų | 124.1 | 82% | 0.818 | 78% | 0.782 | S | S | * | * | | | cis | -171.4 | 154.2 | -14.7 | 107.9 | 0 | 0 | 0 | 0 | 106 | | |
| 494 | A | 36.2 | Very low | 34.8 | Very low | 85 Ų | 85 | 122.3 Ų | 122.3 | 70% | 0.702 | 78% | 0.778 | S | S | * | * | | | cis | -153.4 | 170.8 | -3.6 | 0 | 0 | 0 | 0 | 0 | 111.2 | | |
| 495 | Q | 37.2 | Very low | 35 | Very low | 172 Ų | 172 | 122.1 Ų | 122.1 | 80% | 0.804 | 78% | 0.777 | S | S | * | * | | | trans | -62.6 | 159.2 | 160.4 | -93.7 | -150.4 | -21 | 0 | 0 | 112.9 | | |
| 496 | P | 35 | Very low | 35 | Very low | 117 Ų | 117 | 119.3 Ų | 119.3 | 76% | 0.76 | 77% | 0.768 | S | S | * | * | | | | -149.8 | 151.6 | 78.1 | 40 | -20.4 | 0 | 0 | 0 | 119.5 | | |
| 497 | S | 26.9 | Very low | 34.6 | Very low | 100 Ų | 100 | 117.9 Ų | 117.9 | 70% | 0.699 | 77% | 0.765 | S | S | * | * | | | trans | 33.1 | 142.5 | 131.7 | -48.9 | 0 | 0 | 0 | 0 | 124.3 | | |
| 498 | A | 34.1 | Very low | 34.3 | Very low | 101 Ų | 101 | 116.3 Ų | 116.3 | 84% | 0.835 | 76% | 0.757 | S | S | * | * | | | trans | 89.7 | 137.2 | 142.1 | 0 | 0 | 0 | 0 | 0 | 120.3 | | |
| 499 | S | 35.8 | Very low | 34.3 | Very low | 115 Ų | 115 | 120.4 Ų | 120.4 | 80% | 0.804 | 76% | 0.76 | S | S | * | * | | | trans | -80.9 | 157.1 | 174.6 | -35.9 | 0 | 0 | 0 | 0 | 112.6 | | |
| 500 | P | 40.8 | Very low | 34.1 | Very low | 123 Ų | 123 | 120 Ų | 120 | 80% | 0.799 | 75% | 0.752 | S | S | * | * | | | | -120.6 | 147.1 | 115.2 | -0.8 | 21.5 | 0 | 0 | 0 | 110.7 | | |
| 501 | L | 29.3 | Very low | 34 | Very low | 148 Ų | 148 | 120.1 Ų | 120.1 | 78% | 0.775 | 75% | 0.753 | S | S | * | * | | | cis | 94.3 | 72.8 | 34 | -167.9 | 84.1 | 0 | 0 | 0 | 114.2 | V503 | L501-V503 HydrophobicContact CD1-CG2 3.56Å; L501-V503 HydrophobicContact CG-CG2 3.9Å |
| 502 | E | 40.3 | Very low | 34 | Very low | 192 Ų | 192 | 121.8 Ų | 121.8 | 90% | 0.897 | 75% | 0.748 | S | S | * | * | | | trans | -148.8 | 112.6 | 139.9 | -102.2 | 178.2 | 143.2 | 0 | 0 | 105.5 | | |
| 503 | V | 35.8 | Very low | 34 | Very low | 108 Ų | 108 | 124.9 Ų | 124.9 | 66% | 0.655 | 75% | 0.746 | S | S | * | * | | | cis | 77.5 | 121.7 | 33.6 | -171.1 | 0 | 0 | 0 | 0 | 112.1 | L501 | L501-V503 HydrophobicContact CD1-CG2 3.56Å; L501-V503 HydrophobicContact CG-CG2 3.9Å |
| 504 | P | 33.7 | Very low | 34.1 | Very low | 109 Ų | 109 | 124.5 Ų | 124.5 | 71% | 0.708 | 74% | 0.739 | S | S | * | * | | | cis | -130.4 | 167.2 | -5.4 | 43 | -28.1 | 0 | 0 | 0 | 115.8 | | |
| 505 | S | 38.9 | Very low | 34 | Very low | 108 Ų | 108 | 128 Ų | 128 | 76% | 0.755 | 74% | 0.741 | S | S | * | * | | | trans | -60 | 155.1 | 148.6 | 60.2 | 0 | 0 | 0 | 0 | 110.7 | | |
| 506 | P | 35 | Very low | 33.9 | Very low | 106 Ų | 106 | 123.7 Ų | 123.7 | 69% | 0.688 | 73% | 0.728 | S | S | * | * | | | | -156 | -172.3 | 88.1 | 36.8 | -15 | 0 | 0 | 0 | 115.4 | | |
| 507 | V | 29.4 | Very low | 34 | Very low | 115 Ų | 115 | 125.8 Ų | 125.8 | 70% | 0.697 | 73% | 0.727 | S | S | * | * | | | trans | 63.1 | 105.9 | 166.2 | -121.7 | 0 | 0 | 0 | 0 | 114.8 | Y509 | V507-Y509 HydrophobicContact CG1-CD2 3.91Š|
| 508 | S | 30.1 | Very low | 34.1 | Very low | 89 Ų | 89 | 128.2 Ų | 128.2 | 62% | 0.622 | 73% | 0.732 | S | S | * | * | | | cis | 67.8 | 162.4 | 34 | -158.3 | 0 | 0 | 0 | 0 | 114.2 | | |
| 509 | Y | 31.9 | Very low | 34.2 | Very low | 179 Ų | 179 | 128.6 Ų | 128.6 | 70% | 0.702 | 73% | 0.726 | S | S | * | * | | | trans | 70.3 | 113.6 | 176.5 | -60.6 | -73 | 0 | 0 | 0 | 113.3 | V507 | V507-Y509 HydrophobicContact CG1-CD2 3.91Š|
| 510 | D | 28.7 | Very low | 34.4 | Very low | 132 Ų | 132 | 128.6 Ų | 128.6 | 71% | 0.706 | 72% | 0.724 | S | S | * | * | | | | 57.7 | 105.7 | 79.9 | -69 | -52.7 | 0 | 0 | 0 | 110.7 | | |
| 511 | G | 32.2 | Very low | 34.6 | Very low | 76 Ų | 76 | 127.9 Ų | 127.9 | 78% | 0.784 | 72% | 0.719 | S | S | * | * | | | cis | 175.2 | -112.5 | 4.1 | 0 | 0 | 0 | 0 | 0 | 109.8 | | |
| 512 | I | 33.7 | Very low | 34.7 | Very low | 131 Ų | 131 | 130.6 Ų | 130.6 | 67% | 0.672 | 72% | 0.721 | S | S | * | * | | | cis | -162 | 140.7 | 10.3 | -125.8 | 166.9 | 0 | 0 | 0 | 106.5 | | |
| 513 | K | 34 | Very low | 34.5 | Very low | 181 Ų | 181 | 129.7 Ų | 129.7 | 79% | 0.787 | 72% | 0.716 | S | S | * | * | | | trans | 65.2 | 156.5 | 167.8 | -72.2 | -178.3 | 169.3 | -167.5 | 0 | 115.7 | | |
| 514 | L | 37.4 | Very low | 34.6 | Very low | 127 Ų | 127 | 133.4 Ų | 133.4 | 67% | 0.665 | 73% | 0.727 | S | S | * | * | | | cis | -155.3 | 135 | -13.7 | -95.4 | 155.9 | 0 | 0 | 0 | 101.4 | | |
| 515 | E | 33.9 | Very low | 34.7 | Very low | 158 Ų | 158 | 132.5 Ų | 132.5 | 74% | 0.738 | 73% | 0.728 | S | S | * | * | | | cis | 40.7 | 88.7 | 38.9 | -147.4 | -85.5 | 115.5 | 0 | 0 | 109.7 | | |
| 516 | P | 34.2 | Very low | 34.7 | Very low | 82 Ų | 82 | 136.6 Ų | 136.6 | 53% | 0.532 | 74% | 0.738 | S | S | . | * | | | | -146.9 | 174.4 | 85.7 | 42.4 | -27.6 | 0 | 0 | 0 | 115.9 | | |
| 517 | E | 36.9 | Very low | 34.8 | Very low | 162 Ų | 162 | 136 Ų | 136 | 76% | 0.757 | 74% | 0.736 | S | S | * | * | | | trans | 62.6 | 116.8 | 155.6 | -72.3 | 158.9 | 96.2 | 0 | 0 | 117.3 | | |
| 518 | N | 29.5 | Very low | 35 | Very low | 150 Ų | 150 | 137.3 Ų | 137.3 | 80% | 0.802 | 74% | 0.744 | S | S | * | * | | | | 67.5 | 146.1 | 55.5 | -71.6 | -56.8 | 0 | 0 | 0 | 114.1 | | |
| 519 | P | 37.4 | Very low | 35.1 | Very low | 109 Ų | 109 | 137.3 Ų | 137.3 | 71% | 0.708 | 75% | 0.75 | S | S | * | * | | | trans | -126.9 | -138.8 | -142.7 | 39.1 | -17.6 | 0 | 0 | 0 | 108.9 | | |
| 520 | P | 38.5 | Very low | 35.3 | Very low | 115 Ų | 115 | 136.5 Ų | 136.5 | 75% | 0.747 | 76% | 0.757 | S | S | * | * | | | cis | -104.8 | -96.9 | -37.6 | 15.1 | 3.7 | 0 | 0 | 0 | 114.4 | | |
| 521 | P | 45 | Very low | 35.5 | Very low | 109 Ų | 109 | 139 Ų | 139 | 71% | 0.708 | 76% | 0.761 | S | S | * | * | | | | -123.2 | 160.8 | -122.8 | 38.4 | -23.3 | 0 | 0 | 0 | 114.8 | | |
| 522 | Y | 31.7 | Very low | 35.2 | Very low | 205 Ų | 205 | 141.3 Ų | 141.3 | 80% | 0.804 | 76% | 0.76 | S | S | * | * | | | | -159.8 | 135 | 124.3 | 59.8 | -86.7 | 0 | 0 | 0 | 112.2 | | |
| 523 | E | 36.8 | Very low | 35.1 | Very low | 173 Ų | 173 | 139.8 Ų | 139.8 | 81% | 0.808 | 76% | 0.761 | S | S | * | * | | | trans | 38.5 | 124.5 | 130.1 | -64.9 | 158.9 | -141.6 | 0 | 0 | 121.9 | | |
| 524 | E | 36.9 | Very low | 35.1 | Very low | 186 Ų | 186 | 139 Ų | 139 | 87% | 0.869 | 77% | 0.766 | S | S | * | * | | | trans | 85.5 | 113.1 | 137.1 | -157.6 | 158.3 | -129.6 | 0 | 0 | 120.9 | | |
| 525 | A | 35.9 | Very low | 34.8 | Very low | 90 Ų | 90 | 137.8 Ų | 137.8 | 74% | 0.744 | 77% | 0.768 | S | S | * | * | | | trans | 53.4 | 106 | 150.1 | 0 | 0 | 0 | 0 | 0 | 120.7 | | |
| 526 | M | 40.2 | Very low | 34.7 | Very low | 194 Ų | 194 | 138.5 Ų | 138.5 | 96% | 0.956 | 77% | 0.768 | S | S | * | * | | | | -152.2 | 160 | 122.4 | -118.6 | -175 | -167.7 | 0 | 0 | 115.9 | | |
| 527 | S | 36.5 | Very low | 34.5 | Very low | 94 Ų | 94 | 139.9 Ų | 139.9 | 66% | 0.657 | 77% | 0.768 | S | S | * | * | | | trans | -71.1 | 144.1 | -171.7 | 50.4 | 0 | 0 | 0 | 0 | 117.2 | | |
| 528 | V | 33.9 | Very low | 34.2 | Very low | 142 Ų | 142 | 140.7 Ų | 140.7 | 86% | 0.861 | 77% | 0.772 | S | S | * | * | | | | 29.6 | 110.6 | 125.8 | -173.8 | 0 | 0 | 0 | 0 | 118.2 | | |
| 529 | A | 32.3 | Very low | 34.4 | Very low | 89 Ų | 89 | 138.5 Ų | 138.5 | 74% | 0.736 | 76% | 0.758 | S | S | * | * | | | trans | -166.5 | 159 | 143 | 0 | 0 | 0 | 0 | 0 | 111.8 | | |
| 530 | L | 35.1 | Very low | 34.3 | Very low | 162 Ų | 162 | 142.3 Ų | 142.3 | 85% | 0.848 | 76% | 0.764 | S | S | * | * | | | trans | 70.7 | 102.9 | -179.7 | -62 | 154 | 0 | 0 | 0 | 114.4 | | |
| 531 | K | 33 | Very low | 34 | Very low | 184 Ų | 184 | 144.7 Ų | 144.7 | 80% | 0.8 | 77% | 0.765 | S | S | * | * | | | | 81.7 | 106 | 53.1 | -69.6 | -169.4 | 171.9 | -174 | 0 | 115 | | |
| 532 | T | 27.2 | Very low | 33.5 | Very low | 124 Ų | 124 | 144.4 Ų | 144.4 | 76% | 0.761 | 76% | 0.763 | S | S | * | * | | | | 14.4 | 142.9 | 118.1 | 52.7 | 0 | 0 | 0 | 0 | 118.2 | | |
| 533 | S | 30.9 | Very low | 33.3 | Very low | 99 Ų | 99 | 142.6 Ų | 142.6 | 69% | 0.692 | 76% | 0.762 | S | S | * | * | | | cis | 179.2 | 160.6 | 1.4 | 43.5 | 0 | 0 | 0 | 0 | 109 | | |
| 534 | D | 33.6 | Very low | 32.9 | Very low | 166 Ų | 166 | 139 Ų | 139 | 89% | 0.888 | 76% | 0.756 | S | S | * | * | | | trans | -157.6 | 163.4 | 137.6 | -106.4 | -35 | 0 | 0 | 0 | 112.1 | | |
| 535 | S | 31.7 | Very low | 32.7 | Very low | 101 Ų | 101 | 138.6 Ų | 138.6 | 71% | 0.706 | 75% | 0.752 | S | S | * | * | | | trans | -158.5 | 144.7 | -172.2 | 63.9 | 0 | 0 | 0 | 0 | 113.3 | | |
| 536 | K | 31.8 | Very low | 32.4 | Very low | 172 Ų | 172 | 140.9 Ų | 140.9 | 75% | 0.748 | 75% | 0.752 | S | S | * | * | | | trans | 69.2 | 170.9 | 162.8 | -121.4 | 179.3 | 166.7 | -138 | 0 | 112 | | |
| 537 | E | 30.2 | Very low | 31.8 | Very low | 111 Ų | 111 | 136.3 Ų | 136.3 | 52% | 0.519 | 75% | 0.745 | S | S | . | * | | | cis | -161.9 | 143.8 | 1.4 | -172.9 | 148.5 | -149.5 | 0 | 0 | 111.1 | I539 | E537-I539 VanDerWaalsContact CD-CD1 3.46Å; E537-I539 HydrophobicContact CG-CD1 3.6Å; E537-I539 HydrophobicContact CG-CG1 3.73Å; E537-I539 WeakPolarHBondContact OE1-CD1 3.38Å |
| 538 | E | 31.1 | Very low | 31.7 | Very low | 180 Ų | 180 | 136.4 Ų | 136.4 | 84% | 0.841 | 75% | 0.751 | S | S | * | * | | | trans | -164.5 | 128.7 | 135.1 | -109.9 | -178.4 | 124.4 | 0 | 0 | 107.5 | | |
| 539 | I | 33.8 | Very low | 31.7 | Very low | 103 Ų | 103 | 134.5 Ų | 134.5 | 53% | 0.528 | 75% | 0.75 | S | S | . | * | | | cis | 70.6 | 123.6 | 41.7 | -61.9 | -179.6 | 0 | 0 | 0 | 109.7 | E537 | E537-I539 VanDerWaalsContact CD-CD1 3.46Å; E537-I539 HydrophobicContact CG-CD1 3.6Å; E537-I539 HydrophobicContact CG-CG1 3.73Å; E537-I539 WeakPolarHBondContact OE1-CD1 3.38Å |
| 540 | K | 34.6 | Very low | 31.9 | Very low | 189 Ų | 189 | 139.5 Ų | 139.5 | 82% | 0.822 | 76% | 0.758 | S | S | * | * | | | | -159.8 | 158.6 | 54.2 | -145.2 | 151 | -167.2 | 168.3 | 0 | 116.4 | | |
| 541 | E | 31.9 | Very low | 31.7 | Very low | 166 Ų | 166 | 141.3 Ų | 141.3 | 78% | 0.776 | 76% | 0.762 | S | S | * | * | | | trans | -61.3 | 175.7 | 153.6 | -107.9 | -179.3 | 118.6 | 0 | 0 | 112.5 | | |
| 542 | P | 35.3 | Very low | 32 | Very low | 103 Ų | 103 | 137.3 Ų | 137.3 | 67% | 0.669 | 76% | 0.764 | S | S | * | * | | | cis | -150 | 173.3 | 39.1 | 43 | -21.5 | 0 | 0 | 0 | 120 | | |
| 543 | E | 27 | Very low | 32.7 | Very low | 167 Ų | 167 | 140.4 Ų | 140.4 | 78% | 0.78 | 77% | 0.77 | S | S | * | * | | | trans | 36 | 127.7 | 139.3 | -60.7 | 171.3 | 151.1 | 0 | 0 | 121.7 | | |
| 544 | S | 28.1 | Very low | 33.5 | Very low | 98 Ų | 98 | 140.2 Ų | 140.2 | 69% | 0.685 | 77% | 0.774 | S | S | * | * | | | | 156.3 | 157.9 | 95.3 | 60.5 | 0 | 0 | 0 | 0 | 117.1 | | |
| 545 | F | 32.6 | Very low | 34.1 | Very low | 176 Ų | 176 | 137.5 Ų | 137.5 | 77% | 0.772 | 77% | 0.766 | S | S | * | * | | | trans | 63.3 | 113.4 | 154.8 | -61.1 | -55.6 | 0 | 0 | 0 | 124.8 | | |
| 546 | N | 29.4 | Very low | 34.8 | Very low | 139 Ų | 139 | 142.8 Ų | 142.8 | 74% | 0.743 | 77% | 0.772 | S | S | * | * | | | | 63.2 | 109.7 | 120.5 | -60.9 | -3.5 | 0 | 0 | 0 | 124 | | |
| 547 | A | 28.6 | Very low | 35.2 | Very low | 98 Ų | 98 | 142.4 Ų | 142.4 | 81% | 0.81 | 78% | 0.776 | S | S | * | * | | | | 73.4 | 168 | 114.9 | 0 | 0 | 0 | 0 | 0 | 121.8 | | |
| 548 | A | 34.3 | Very low | 35.9 | Very low | 96 Ų | 96 | 141 Ų | 141 | 79% | 0.793 | 78% | 0.779 | S | S | * | * | | | trans | 63.7 | 108.9 | -170 | 0 | 0 | 0 | 0 | 0 | 113.8 | | |
| 549 | A | 33.6 | Very low | 37.2 | Very low | 101 Ų | 101 | 141.1 Ų | 141.1 | 84% | 0.835 | 78% | 0.783 | S | S | * | * | | | cis | 78 | 92.1 | 37.7 | 0 | 0 | 0 | 0 | 0 | 114.8 | | |
| 550 | Q | 35.4 | Very low | 38 | Very low | 195 Ų | 195 | 140.7 Ų | 140.7 | 91% | 0.911 | 80% | 0.795 | S | S | * | * | | | trans | -153.7 | 132.4 | 145.7 | -116.6 | 172.6 | 5.9 | 0 | 0 | 109.4 | | |
| 551 | E | 32.6 | Very low | 38.3 | Very low | 199 Ų | 199 | 136.6 Ų | 136.6 | 93% | 0.93 | 79% | 0.789 | S | S | * | * | | | trans | -84.1 | 142 | 168.5 | -64 | 176.2 | 124.8 | 0 | 0 | 108.8 | | |
| 552 | A | 39 | Very low | 39.1 | Very low | 101 Ų | 101 | 135.6 Ų | 135.6 | 84% | 0.835 | 79% | 0.789 | S | S | * | * | | | trans | -143.3 | 142.4 | 173.6 | 0 | 0 | 0 | 0 | 0 | 110 | | |
| 553 | E | 41.4 | Very low | 39.9 | Very low | 188 Ų | 188 | 138.8 Ų | 138.8 | 88% | 0.879 | 80% | 0.8 | S | S | * | * | | | trans | -87.8 | 134.2 | -157.6 | -56.5 | 165 | 116.9 | 0 | 0 | 114.1 | | |
| 554 | A | 46.5 | Very low | 40.8 | Very low | 96 Ų | 96 | 138.1 Ų | 138.1 | 79% | 0.793 | 80% | 0.8 | S | S | * | * | | | trans | 62.1 | -176.1 | 153.4 | 0 | 0 | 0 | 0 | 0 | 116.2 | | |
| 555 | P | 46.5 | Very low | 41.4 | Very low | 109 Ų | 109 | 143.4 Ų | 143.4 | 71% | 0.708 | 81% | 0.81 | S | S | * | * | | | cis | -127 | 162.9 | -12.2 | 27.5 | -6 | 0 | 0 | 0 | 116 | | |
| 556 | Y | 46.9 | Very low | 42 | Very low | 211 Ų | 211 | 144.1 Ų | 144.1 | 83% | 0.827 | 82% | 0.816 | S | S | * | * | | | trans | 58.6 | 120 | 145 | -83.1 | -119.5 | 0 | 0 | 0 | 122.2 | S558 | Y556-S558 PolarHBondContact O-N 2.93Š|
| 557 | I | 41.5 | Very low | 42.6 | Very low | 164 Ų | 164 | 144.2 Ų | 144.2 | 84% | 0.841 | 82% | 0.822 | S | S | * | * | | | | 8.8 | 106.6 | 127.1 | -61.4 | 163.7 | 0 | 0 | 0 | 116 | | |
| 558 | S | 42.9 | Very low | 43.2 | Very low | 82 Ų | 82 | 148.5 Ų | 148.5 | 57% | 0.573 | 82% | 0.822 | S | S | * | * | | | trans | -155 | 3.4 | 155.7 | -159.6 | 0 | 0 | 0 | 0 | 115.6 | Y556 A560 | Y556-S558 PolarHBondContact O-N 2.93Å; S558-A560 PolarHBondContact O-N 3.48Å; S558-A560 VanDerWaalsContact O-N 3.09Å |
| 559 | I | 59.4 | Low | 43.4 | Very low | 183 Ų | 183 | 151.4 Ų | 151.4 | 94% | 0.938 | 82% | 0.824 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -77.4 | 7 | -171.5 | -84.1 | 172.7 | 0 | 0 | 0 | 114.6 | | |
| 560 | A | 49.8 | Very low | 43.7 | Very low | 94 Ų | 94 | 151.4 Ų | 151.4 | 78% | 0.777 | 82% | 0.818 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -117.9 | 15.5 | -170.6 | 0 | 0 | 0 | 0 | 0 | 115.7 | S558 | S558-A560 PolarHBondContact O-N 3.48Å; S558-A560 VanDerWaalsContact O-N 3.09Å |
| 561 | C | 42.1 | Very low | 43.8 | Very low | 102 Ų | 102 | 147.9 Ų | 147.9 | 69% | 0.689 | 81% | 0.81 | S | S | * | * | S | Bend | trans | -133.1 | -15.4 | -174.6 | -73.9 | 0 | 0 | 0 | 0 | 117.2 | L563 | C561-L563 VanDerWaalsContact C-N 3.29Å; C561-L563 PolarHBondContact O-N 3.29Å |
| 562 | D | 48.2 | Very low | 44 | Very low | 146 Ų | 146 | 146.8 Ų | 146.8 | 78% | 0.781 | 81% | 0.805 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -86.5 | 34.9 | -167.2 | -68.8 | -14.6 | 0 | 0 | 0 | 115.8 | | |
| 563 | L | 51.7 | Low | 44.1 | Very low | 170 Ų | 170 | 147.1 Ų | 147.1 | 89% | 0.89 | 80% | 0.798 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -120.7 | 2.5 | 175.9 | -80.9 | 172.7 | 0 | 0 | 0 | 114.9 | C561 | C561-L563 VanDerWaalsContact C-N 3.29Å; C561-L563 PolarHBondContact O-N 3.29Å |
| 564 | I | 46.5 | Very low | 43.6 | Very low | 152 Ų | 152 | 143.1 Ų | 143.1 | 78% | 0.779 | 79% | 0.791 | S | S | * | * | S | Bend | trans | -143.1 | 60 | -174.6 | -38 | 178.2 | 0 | 0 | 0 | 113.8 | | |
| 565 | K | 40.7 | Very low | 43.3 | Very low | 209 Ų | 209 | 143.8 Ų | 143.8 | 91% | 0.909 | 79% | 0.787 | S | S | * | * | | | trans | -169.9 | 33.1 | 154.2 | -115.7 | 170.2 | -176 | 178.2 | 0 | 122.8 | | |
| 566 | E | 45.6 | Very low | 42.6 | Very low | 191 Ų | 191 | 146.1 Ų | 146.1 | 89% | 0.893 | 79% | 0.788 | S | S | * | * | | | trans | -131.2 | 137.2 | 156.1 | -63.8 | -161.1 | 157 | 0 | 0 | 108.9 | | |
| 567 | T | 41.2 | Very low | 42.1 | Very low | 142 Ų | 142 | 144.8 Ų | 144.8 | 87% | 0.871 | 79% | 0.787 | S | S | * | * | | | cis | -131.6 | 171.1 | 21.7 | -60.3 | 0 | 0 | 0 | 0 | 111.9 | | |
| 568 | K | 41.5 | Very low | 41.9 | Very low | 187 Ų | 187 | 141.7 Ų | 141.7 | 81% | 0.813 | 78% | 0.78 | S | S | * | * | | | trans | -90.6 | 146.4 | -171.5 | -67.8 | -175.1 | 179.8 | 178.8 | 0 | 116 | | |
| 569 | L | 39.2 | Very low | 41.6 | Very low | 158 Ų | 158 | 143.8 Ų | 143.8 | 83% | 0.827 | 79% | 0.785 | S | S | * | * | | | trans | 57.7 | 119.9 | 141.8 | -94.1 | 80.1 | 0 | 0 | 0 | 122.2 | | |
| 570 | S | 39.3 | Very low | 40.8 | Very low | 101 Ų | 101 | 144.6 Ų | 144.6 | 71% | 0.706 | 78% | 0.777 | S | S | * | * | | | | 92.8 | 116.1 | 125.5 | -131.1 | 0 | 0 | 0 | 0 | 122.2 | | |
| 571 | T | 38.2 | Very low | 40.3 | Very low | 121 Ų | 121 | 145 Ų | 145 | 74% | 0.742 | 77% | 0.774 | S | S | * | * | | | trans | 79.9 | 112.2 | 136.1 | -49.3 | 0 | 0 | 0 | 0 | 120.7 | | |
| 572 | E | 37.2 | Very low | 40.2 | Very low | 176 Ų | 176 | 147.1 Ų | 147.1 | 82% | 0.822 | 77% | 0.774 | S | S | * | * | | | trans | 5.8 | 162.4 | 134.9 | -89.1 | -174.8 | 88.9 | 0 | 0 | 122.9 | | |
| 573 | P | 39.2 | Very low | 39.8 | Very low | 108 Ų | 108 | 147 Ų | 147 | 70% | 0.701 | 77% | 0.772 | S | S | * | * | | | cis | -134.8 | -176 | 2.9 | 30.2 | -6.5 | 0 | 0 | 0 | 116.9 | | |
| 574 | S | 31.5 | Very low | 39.2 | Very low | 104 Ų | 104 | 142 Ų | 142 | 73% | 0.727 | 76% | 0.755 | S | S | * | * | | | trans | -62.5 | -177.8 | 170 | 60.5 | 0 | 0 | 0 | 0 | 117 | | |
| 575 | P | 39.5 | Very low | 38.9 | Very low | 109 Ų | 109 | 143.1 Ų | 143.1 | 71% | 0.708 | 75% | 0.754 | S | S | * | * | | | cis | -136.7 | -151.4 | -35.6 | 31.7 | -7.8 | 0 | 0 | 0 | 112.6 | | |
| 576 | E | 32.5 | Very low | 38.7 | Very low | 158 Ų | 158 | 141 Ų | 141 | 74% | 0.738 | 75% | 0.745 | S | S | * | * | | | trans | 87.3 | 161.8 | 163.5 | -54.4 | -158.3 | 134.2 | 0 | 0 | 119.8 | | |
| 577 | F | 37 | Very low | 38.4 | Very low | 184 Ų | 184 | 138 Ų | 138 | 81% | 0.807 | 73% | 0.731 | S | S | * | * | | | trans | 67.9 | 141.8 | 179.1 | -49.7 | -78.1 | 0 | 0 | 0 | 118.4 | | |
| 578 | S | 36.4 | Very low | 38.1 | Very low | 98 Ų | 98 | 138.9 Ų | 138.9 | 69% | 0.685 | 72% | 0.723 | S | S | * | * | | | | 168.5 | 140.2 | -56.4 | 57.6 | 0 | 0 | 0 | 0 | 110.3 | | |
| 579 | N | 37.6 | Very low | 37.8 | Very low | 126 Ų | 126 | 134.6 Ų | 134.6 | 67% | 0.674 | 72% | 0.717 | S | S | * | * | | | trans | 88.1 | 157.2 | 147.4 | -141.4 | -13.6 | 0 | 0 | 0 | 120.9 | | |
| 580 | Y | 41.8 | Very low | 37.6 | Very low | 200 Ų | 200 | 133.4 Ų | 133.4 | 78% | 0.784 | 72% | 0.716 | S | S | * | * | | | trans | 72 | 120.6 | 179.6 | -56.2 | -78.4 | 0 | 0 | 0 | 116.6 | | |
| 581 | S | 40.3 | Very low | 37.6 | Very low | 102 Ų | 102 | 133.9 Ų | 133.9 | 71% | 0.713 | 72% | 0.716 | S | S | * | * | | | cis | 77.4 | 149 | 23.4 | -153.7 | 0 | 0 | 0 | 0 | 115.4 | | |
| 582 | E | 40.1 | Very low | 37.4 | Very low | 147 Ų | 147 | 135.2 Ų | 135.2 | 69% | 0.687 | 72% | 0.719 | S | S | * | * | | | cis | -107.1 | -127.5 | -5.6 | -153.7 | -148.1 | 120 | 0 | 0 | 110.3 | A584 | E582-A584 PolarHBondContact OE1-N 2.89Š|
| 583 | I | 39.3 | Very low | 37.1 | Very low | 145 Ų | 145 | 134.9 Ų | 134.9 | 74% | 0.744 | 72% | 0.717 | S | S | * | * | | | cis | -143.6 | 127.9 | 0.2 | -22.9 | 173.4 | 0 | 0 | 0 | 112.1 | | |
| 584 | A | 39.6 | Very low | 36.9 | Very low | 63 Ų | 63 | 135.2 Ų | 135.2 | 52% | 0.521 | 72% | 0.721 | S | S | . | * | | | trans | 48.2 | 154.7 | 148.6 | 0 | 0 | 0 | 0 | 0 | 123.1 | E582 | E582-A584 PolarHBondContact OE1-N 2.89Š|
| 585 | K | 39.4 | Very low | 37 | Very low | 176 Ų | 176 | 138.6 Ų | 138.6 | 77% | 0.765 | 73% | 0.725 | S | S | * | * | | | cis | -165.3 | 158.4 | -16.8 | -94.5 | 158.3 | -164.2 | 165.5 | 0 | 104.7 | | |
| 586 | F | 37 | Very low | 36.9 | Very low | 164 Ų | 164 | 140 Ų | 140 | 72% | 0.719 | 73% | 0.726 | S | S | * | * | | | | -158.7 | 142.7 | 51.4 | -122.7 | -98.7 | 0 | 0 | 0 | 110 | | |
| 587 | E | 38.5 | Very low | 37.4 | Very low | 129 Ų | 129 | 138 Ų | 138 | 60% | 0.603 | 72% | 0.724 | S | S | * | * | | | trans | 27.3 | 145.3 | 138.6 | -57.9 | -163.1 | 145.3 | 0 | 0 | 121.9 | | |
| 588 | K | 35.5 | Very low | 37.7 | Very low | 161 Ų | 161 | 136.2 Ų | 136.2 | 70% | 0.7 | 72% | 0.723 | S | S | * | * | | | cis | -168.8 | 175.1 | 11.3 | -115.1 | 165.6 | -173.6 | 146.8 | 0 | 107.4 | | |
| 589 | S | 34.3 | Very low | 38 | Very low | 96 Ų | 96 | 138 Ų | 138 | 67% | 0.671 | 73% | 0.725 | S | S | * | * | | | cis | -164.9 | 144.1 | -0.2 | 42.6 | 0 | 0 | 0 | 0 | 111.4 | | |
| 590 | V | 35.2 | Very low | 38.4 | Very low | 134 Ų | 134 | 136.9 Ų | 136.9 | 81% | 0.812 | 73% | 0.727 | S | S | * | * | | | trans | 54 | 110.7 | 144.7 | -176.4 | 0 | 0 | 0 | 0 | 120 | | |
| 591 | P | 39.1 | Very low | 38.4 | Very low | 111 Ų | 111 | 132 Ų | 132 | 72% | 0.721 | 72% | 0.722 | S | S | * | * | | | trans | -96.6 | 172.6 | 153.2 | 39.7 | -32.6 | 0 | 0 | 0 | 112.1 | | |
| 592 | D | 35 | Very low | 38.6 | Very low | 148 Ų | 148 | 132.7 Ų | 132.7 | 79% | 0.791 | 72% | 0.724 | S | S | * | * | | | trans | -170.6 | 167.4 | 140.7 | -108.7 | -22.5 | 0 | 0 | 0 | 115.7 | | |
| 593 | H | 30 | Very low | 38.7 | Very low | 169 Ų | 169 | 134.4 Ų | 134.4 | 78% | 0.782 | 73% | 0.732 | S | S | * | * | | | trans | -57.9 | 152.1 | -168 | -63.9 | -94.7 | 0 | 0 | 0 | 120.7 | | |
| 594 | C | 34.6 | Very low | 38.9 | Very low | 116 Ų | 116 | 132.9 Ų | 132.9 | 78% | 0.784 | 73% | 0.734 | S | S | * | * | | | | 171.5 | 126.6 | 120.5 | -81.8 | 0 | 0 | 0 | 0 | 108.8 | | |
| 595 | E | 35.1 | Very low | 39 | Very low | 174 Ų | 174 | 139.1 Ų | 139.1 | 81% | 0.813 | 75% | 0.753 | S | S | * | * | | | | 94.4 | 155.4 | 59.1 | -155.3 | -179.3 | -146.3 | 0 | 0 | 113 | | |
| 596 | L | 37 | Very low | 39.3 | Very low | 140 Ų | 140 | 136.3 Ų | 136.3 | 73% | 0.733 | 75% | 0.753 | S | S | * | * | | | trans | 78.1 | 120.1 | -175.1 | -92.3 | 73.7 | 0 | 0 | 0 | 116.1 | | |
| 597 | V | 43.3 | Very low | 39.9 | Very low | 114 Ų | 114 | 135.7 Ų | 135.7 | 69% | 0.691 | 76% | 0.762 | S | S | * | * | | | | 84.2 | 126.5 | 78.3 | 150.6 | 0 | 0 | 0 | 0 | 110.6 | | |
| 598 | D | 43.6 | Very low | 40.2 | Very low | 148 Ų | 148 | 136.7 Ų | 136.7 | 79% | 0.791 | 77% | 0.771 | S | S | * | * | | | cis | -142.9 | -175.8 | 23.6 | -82.2 | -56.3 | 0 | 0 | 0 | 110.5 | | |
| 599 | D | 42.9 | Very low | 40.7 | Very low | 134 Ų | 134 | 135.7 Ų | 135.7 | 72% | 0.717 | 77% | 0.773 | S | S | * | * | | | cis | -174.3 | 162.6 | -40.3 | -175.3 | 25.4 | 0 | 0 | 0 | 108.3 | | |
| 600 | S | 45.6 | Very low | 41.4 | Very low | 104 Ų | 104 | 140 Ų | 140 | 73% | 0.727 | 78% | 0.78 | S | S | * | * | | | trans | 65.9 | 150.2 | 172.6 | -64.6 | 0 | 0 | 0 | 0 | 119.4 | | |
| 601 | S | 42.1 | Very low | 41.7 | Very low | 98 Ų | 98 | 139.2 Ų | 139.2 | 69% | 0.685 | 78% | 0.781 | S | S | * | * | | | cis | -168.1 | 144.4 | -27.5 | -170.4 | 0 | 0 | 0 | 0 | 110.3 | | |
| 602 | P | 43.3 | Very low | 42 | Very low | 115 Ų | 115 | 141.5 Ų | 141.5 | 75% | 0.747 | 79% | 0.787 | S | S | * | * | | | trans | -120.1 | 136.8 | 172.8 | 37.6 | -25.5 | 0 | 0 | 0 | 115.3 | | |
| 603 | E | 41.4 | Very low | 42.3 | Very low | 183 Ų | 183 | 141.3 Ų | 141.3 | 86% | 0.855 | 79% | 0.786 | S | S | * | * | | | trans | -136 | 138.9 | 165.7 | -70.5 | 174.9 | 90.5 | 0 | 0 | 108.8 | | |
| 604 | S | 44 | Very low | 43 | Very low | 113 Ų | 113 | 138.2 Ų | 138.2 | 79% | 0.79 | 78% | 0.783 | S | S | * | * | | | cis | 100.4 | 85.9 | 22.4 | -64.8 | 0 | 0 | 0 | 0 | 114.4 | | |
| 605 | E | 43.1 | Very low | 43.4 | Very low | 194 Ų | 194 | 140.1 Ų | 140.1 | 91% | 0.907 | 78% | 0.784 | S | S | * | * | | | trans | -150.3 | 131.5 | 156 | -156.1 | 167.5 | -138.9 | 0 | 0 | 111.7 | | |
| 606 | P | 44.5 | Very low | 43.7 | Very low | 118 Ų | 118 | 137.1 Ų | 137.1 | 77% | 0.766 | 78% | 0.779 | S | S | * | * | | | trans | -114.1 | 156.7 | -178.2 | 39.9 | -32 | 0 | 0 | 0 | 114.3 | | |
| 607 | V | 50.2 | Low | 43.6 | Very low | 150 Ų | 150 | 138.9 Ų | 138.9 | 91% | 0.909 | 78% | 0.784 | S | S | * | * | | | trans | -139.9 | 133.7 | 164.5 | -175.3 | 0 | 0 | 0 | 0 | 110.5 | | |
| 608 | D | 45.3 | Very low | 43.5 | Very low | 151 Ų | 151 | 139.8 Ų | 139.8 | 81% | 0.807 | 79% | 0.789 | S | S | * | * | | | trans | -88.5 | -176.6 | -178.5 | -108.7 | -52.9 | 0 | 0 | 0 | 113.6 | | |
| 609 | L | 46.2 | Very low | 43.2 | Very low | 140 Ų | 140 | 137.5 Ų | 137.5 | 73% | 0.733 | 78% | 0.783 | S | S | * | * | | | trans | 85.2 | 123 | 175.4 | -50.2 | 167.6 | 0 | 0 | 0 | 114.3 | | |
| 610 | F | 47.5 | Very low | 42.8 | Very low | 185 Ų | 185 | 139.6 Ų | 139.6 | 81% | 0.811 | 79% | 0.788 | S | S | * | * | | | cis | -128.3 | 153.7 | 11.6 | -77.1 | -95.3 | 0 | 0 | 0 | 113.1 | | |
| 611 | S | 41.4 | Very low | 42.4 | Very low | 119 Ų | 119 | 139.7 Ų | 139.7 | 83% | 0.832 | 79% | 0.785 | S | S | * | * | | | trans | -143.4 | 125 | 161.3 | -70.6 | 0 | 0 | 0 | 0 | 109.2 | | |
| 612 | D | 46.2 | Very low | 42 | Very low | 158 Ų | 158 | 142.1 Ų | 142.1 | 85% | 0.845 | 79% | 0.785 | S | S | * | * | | | trans | -161.8 | 105 | 165 | -99.3 | -37.4 | 0 | 0 | 0 | 102.7 | | |
| 613 | D | 41.8 | Very low | 41.8 | Very low | 145 Ų | 145 | 144.2 Ų | 144.2 | 78% | 0.775 | 79% | 0.785 | S | S | * | * | | | cis | 85.2 | 156.4 | 47.9 | -157.8 | 13.7 | 0 | 0 | 0 | 113 | | |
| 614 | S | 43.8 | Very low | 41.5 | Very low | 103 Ų | 103 | 144.1 Ų | 144.1 | 72% | 0.72 | 78% | 0.784 | S | S | * | * | | | trans | 82.3 | 85.2 | -179.3 | -53.7 | 0 | 0 | 0 | 0 | 119.7 | | |
| 615 | I | 43 | Very low | 41.2 | Very low | 157 Ų | 157 | 142.2 Ų | 142.2 | 81% | 0.805 | 78% | 0.776 | S | S | * | * | | | | -30.3 | 174.3 | 128.8 | 18.8 | 170.8 | 0 | 0 | 0 | 116.1 | | |
| 616 | P | 41.9 | Very low | 40.9 | Very low | 110 Ų | 110 | 139.1 Ų | 139.1 | 71% | 0.714 | 77% | 0.77 | S | S | * | * | | | cis | -139.5 | -174.3 | -11.5 | 37 | -15.2 | 0 | 0 | 0 | 116.5 | | |
| 617 | E | 33.6 | Very low | 40.4 | Very low | 178 Ų | 178 | 141.9 Ų | 141.9 | 83% | 0.832 | 77% | 0.774 | S | S | * | * | | | trans | 8.5 | 129.6 | 142.3 | -171.8 | 179.2 | -172.6 | 0 | 0 | 122.4 | | |
| 618 | V | 41.5 | Very low | 39.9 | Very low | 132 Ų | 132 | 142.7 Ų | 142.7 | 80% | 0.8 | 77% | 0.773 | S | S | * | * | | | trans | 174.4 | 151 | 136.9 | 142.4 | 0 | 0 | 0 | 0 | 112.4 | | |
| 619 | P | 38.7 | Very low | 39.4 | Very low | 101 Ų | 101 | 142.7 Ų | 142.7 | 66% | 0.656 | 77% | 0.77 | S | S | * | * | | | trans | -112.1 | 165 | -180 | 41.4 | -34.9 | 0 | 0 | 0 | 116.7 | | |
| 620 | Q | 34.8 | Very low | 39 | Very low | 177 Ų | 177 | 144.2 Ų | 144.2 | 83% | 0.827 | 77% | 0.77 | S | S | * | * | | | trans | 70.6 | 155.6 | 173 | -48 | -176.2 | 7.8 | 0 | 0 | 114.6 | | |
| 621 | T | 35.6 | Very low | 38.5 | Very low | 107 Ų | 107 | 144.5 Ų | 144.5 | 66% | 0.656 | 77% | 0.774 | S | S | * | * | | | cis | -156.9 | 155.7 | 19.2 | -28.4 | 0 | 0 | 0 | 0 | 112 | | |
| 622 | Q | 33.9 | Very low | 38.1 | Very low | 148 Ų | 148 | 143.2 Ų | 143.2 | 69% | 0.692 | 77% | 0.765 | S | S | * | * | | | trans | 47.7 | 148.4 | 148.9 | -92.2 | 163.8 | -82.3 | 0 | 0 | 124.7 | | |
| 623 | E | 39 | Very low | 37.7 | Very low | 160 Ų | 160 | 143.5 Ų | 143.5 | 75% | 0.748 | 77% | 0.766 | S | S | * | * | | | trans | 69 | 149.5 | 153.1 | -75.2 | 141.9 | -145.9 | 0 | 0 | 118.8 | | |
| 624 | E | 35.8 | Very low | 37.4 | Very low | 180 Ų | 180 | 142 Ų | 142 | 84% | 0.841 | 76% | 0.762 | S | S | * | * | | | cis | -144.2 | 148.4 | 10.3 | -143.5 | -171.4 | 156.2 | 0 | 0 | 114.2 | | |
| 625 | A | 37.2 | Very low | 37 | Very low | 74 Ų | 74 | 145.6 Ų | 145.6 | 61% | 0.612 | 77% | 0.768 | S | S | * | * | | | trans | 34.1 | 124 | 146.4 | 0 | 0 | 0 | 0 | 0 | 125.1 | | |
| 626 | V | 37.4 | Very low | 36.6 | Very low | 129 Ų | 129 | 143.5 Ų | 143.5 | 78% | 0.782 | 76% | 0.762 | S | S | * | * | | | | 62.8 | 111.1 | 126.4 | -176.8 | 0 | 0 | 0 | 0 | 119.8 | | |
| 627 | M | 33.4 | Very low | 36.2 | Very low | 175 Ų | 175 | 144 Ų | 144 | 86% | 0.862 | 77% | 0.768 | S | S | * | * | | | | -162 | 139.4 | 95.1 | -157.3 | 161.8 | -69.1 | 0 | 0 | 113.2 | | |
| 628 | L | 39.2 | Very low | 36.1 | Very low | 167 Ų | 167 | 144.1 Ų | 144.1 | 87% | 0.874 | 77% | 0.769 | S | S | * | * | | | trans | -98.5 | 155.1 | 176.8 | -74.9 | 162.1 | 0 | 0 | 0 | 111.4 | | |
| 629 | M | 35.8 | Very low | 35.4 | Very low | 152 Ų | 152 | 144.2 Ų | 144.2 | 75% | 0.749 | 77% | 0.77 | S | S | * | * | | | | 166.1 | 127.3 | 108.9 | 176.8 | 170 | -87.8 | 0 | 0 | 113.8 | | |
| 630 | K | 37.1 | Very low | 35.1 | Very low | 171 Ų | 171 | 145.3 Ų | 145.3 | 74% | 0.743 | 77% | 0.774 | S | S | * | * | | | trans | 66 | 154.6 | 162.6 | -75.1 | 169.8 | -177 | 179.6 | 0 | 116.1 | | |
| 631 | E | 37.4 | Very low | 35.1 | Very low | 192 Ų | 192 | 143.1 Ų | 143.1 | 90% | 0.897 | 77% | 0.773 | S | S | * | * | | | cis | -119 | 165.1 | 21.1 | -153.1 | 161.2 | 118.4 | 0 | 0 | 114.4 | | |
| 632 | S | 32.8 | Very low | 34.9 | Very low | 92 Ų | 92 | 145.6 Ų | 145.6 | 64% | 0.643 | 78% | 0.777 | S | S | * | * | | | trans | -162.4 | 135.9 | -165.2 | 58.1 | 0 | 0 | 0 | 0 | 113.5 | | |
| 633 | L | 37.5 | Very low | 34.9 | Very low | 163 Ų | 163 | 146.1 Ų | 146.1 | 85% | 0.853 | 78% | 0.779 | S | S | * | * | | | trans | 153.9 | 143.1 | 158.9 | -90.2 | 168.6 | 0 | 0 | 0 | 108.7 | | |
| 634 | T | 35.7 | Very low | 34.6 | Very low | 114 Ų | 114 | 146.3 Ų | 146.3 | 70% | 0.699 | 78% | 0.778 | S | S | * | * | | | cis | -147.4 | 157.5 | -5.4 | -33.3 | 0 | 0 | 0 | 0 | 109.9 | | |
| 635 | E | 35.1 | Very low | 34.4 | Very low | 178 Ų | 178 | 145.4 Ų | 145.4 | 83% | 0.832 | 77% | 0.773 | S | S | * | * | | | trans | -73.8 | -171.8 | 161.8 | -54.2 | 156.9 | 103.6 | 0 | 0 | 110.1 | | |
| 636 | V | 36.4 | Very low | 34.2 | Very low | 113 Ų | 113 | 149.7 Ų | 149.7 | 69% | 0.685 | 78% | 0.778 | S | S | * | * | | | | -148.5 | 146.3 | 61.2 | 169.5 | 0 | 0 | 0 | 0 | 111.4 | E638 | V636-E638 HydrophobicContact CG1-CG 3.91Š|
| 637 | S | 31.6 | Very low | 33.8 | Very low | 120 Ų | 120 | 149.2 Ų | 149.2 | 84% | 0.839 | 77% | 0.767 | S | S | * | * | | | trans | -127.2 | 144.5 | 155.9 | -68.9 | 0 | 0 | 0 | 0 | 108.3 | | |
| 638 | E | 32 | Very low | 33.7 | Very low | 182 Ų | 182 | 150.6 Ų | 150.6 | 85% | 0.85 | 76% | 0.763 | S | S | * | * | | | trans | -126.8 | 104.2 | 175.1 | -73.6 | -162.2 | 144.5 | 0 | 0 | 112.3 | V636 | V636-E638 HydrophobicContact CG1-CG 3.91Š|
| 639 | T | 27.5 | Very low | 33.3 | Very low | 134 Ų | 134 | 148.8 Ų | 148.8 | 82% | 0.822 | 75% | 0.753 | S | S | * | * | | | trans | -147.8 | 146.9 | 149.6 | 57.9 | 0 | 0 | 0 | 0 | 109.7 | | |
| 640 | V | 33 | Very low | 33.1 | Very low | 124 Ų | 124 | 146.7 Ų | 146.7 | 75% | 0.752 | 75% | 0.754 | S | S | * | * | | | trans | 63.7 | 101.2 | 165.8 | -167.1 | 0 | 0 | 0 | 0 | 118.9 | | |
| 641 | T | 33.5 | Very low | 32.9 | Very low | 130 Ų | 130 | 142.7 Ų | 142.7 | 80% | 0.798 | 75% | 0.752 | S | S | * | * | | | | -178.2 | 120.6 | 120.4 | 22.4 | 0 | 0 | 0 | 0 | 107.4 | | |
| 642 | Q | 32.7 | Very low | 32.6 | Very low | 159 Ų | 159 | 138.7 Ų | 138.7 | 74% | 0.743 | 75% | 0.746 | S | S | * | * | | | | 78.1 | 125.5 | 54.8 | -154.7 | -152.6 | 82.9 | 0 | 0 | 114.4 | | |
| 643 | H | 32.8 | Very low | 32.9 | Very low | 159 Ų | 159 | 139.6 Ų | 139.6 | 74% | 0.736 | 75% | 0.749 | S | S | * | * | | | trans | 70.4 | 141.4 | 170.2 | -103.9 | -83.7 | 0 | 0 | 0 | 115.6 | | |
| 644 | K | 32.8 | Very low | 32.6 | Very low | 165 Ų | 165 | 137.6 Ų | 137.6 | 72% | 0.717 | 74% | 0.736 | S | S | * | * | | | cis | -168.8 | 133 | 22.6 | -179.4 | 173.8 | 179.9 | 177 | 0 | 112.6 | | |
| 645 | H | 31.6 | Very low | 32.6 | Very low | 160 Ų | 160 | 139.9 Ų | 139.9 | 74% | 0.741 | 74% | 0.738 | S | S | * | * | | | trans | 63.4 | 160.5 | 164.6 | -93.9 | -94.4 | 0 | 0 | 0 | 117.3 | | |
| 646 | K | 33.3 | Very low | 32.7 | Very low | 164 Ų | 164 | 138 Ų | 138 | 71% | 0.713 | 74% | 0.738 | S | S | * | * | | | cis | -144.1 | 112.8 | 3.7 | -173 | 163.1 | -176.9 | 179.8 | 0 | 108.9 | | |
| 647 | E | 29.3 | Very low | 32.6 | Very low | 120 Ų | 120 | 135.9 Ų | 135.9 | 56% | 0.561 | 74% | 0.74 | S | S | * | * | | | | 72.7 | 137 | 105.7 | -156 | -153.4 | 147.8 | 0 | 0 | 116.8 | | |
| 648 | R | 30.1 | Very low | 33 | Very low | 203 Ų | 203 | 139.9 Ų | 139.9 | 77% | 0.766 | 74% | 0.742 | S | S | * | * | | | trans | 74.1 | 140.7 | 165.7 | -80.9 | 161.5 | -178 | -89.6 | -8.6 | 119.8 | | |
| 649 | L | 32.4 | Very low | 33.5 | Very low | 130 Ų | 130 | 136 Ų | 136 | 68% | 0.681 | 73% | 0.733 | S | S | * | * | | | cis | -173.8 | 131.4 | -33.7 | -123.7 | 177.7 | 0 | 0 | 0 | 110.4 | | |
| 650 | S | 30.3 | Very low | 33.7 | Very low | 108 Ų | 108 | 139.2 Ų | 139.2 | 76% | 0.755 | 73% | 0.731 | S | S | * | * | | | trans | 59.5 | 164.2 | 150.4 | 67.6 | 0 | 0 | 0 | 0 | 119.4 | | |
| 651 | A | 32.9 | Very low | 33.7 | Very low | 86 Ų | 86 | 140 Ų | 140 | 71% | 0.711 | 73% | 0.731 | S | S | * | * | | | cis | -147.3 | 136.4 | 2.6 | 0 | 0 | 0 | 0 | 0 | 113.1 | | |
| 652 | S | 31.7 | Very low | 33.6 | Very low | 109 Ų | 109 | 141.7 Ų | 141.7 | 76% | 0.762 | 73% | 0.729 | S | S | * | * | | | | 4.7 | 167.2 | 113.4 | -68.8 | 0 | 0 | 0 | 0 | 121.2 | | |
| 653 | P | 37.9 | Very low | 33.8 | Very low | 111 Ų | 111 | 138 Ų | 138 | 72% | 0.721 | 72% | 0.721 | S | S | * | * | | | cis | -147 | -147.2 | -29.8 | 40.2 | -18.2 | 0 | 0 | 0 | 113.4 | | |
| 654 | Q | 31.3 | Very low | 34 | Very low | 121 Ų | 121 | 139.8 Ų | 139.8 | 57% | 0.565 | 73% | 0.727 | S | S | * | * | | | trans | 86.4 | 122.3 | 168.5 | -49.8 | -157.4 | -84.8 | 0 | 0 | 116.5 | | |
| 655 | E | 35.9 | Very low | 34.4 | Very low | 162 Ų | 162 | 139.6 Ų | 139.6 | 76% | 0.757 | 73% | 0.729 | S | S | * | * | | | cis | 98.6 | 150.8 | 23.2 | -165.9 | 177.6 | -155.9 | 0 | 0 | 114.4 | | |
| 656 | V | 38.5 | Very low | 34.8 | Very low | 137 Ų | 137 | 138 Ų | 138 | 83% | 0.83 | 73% | 0.732 | S | S | * | * | | | trans | 78.6 | 130.3 | -178.4 | -167.1 | 0 | 0 | 0 | 0 | 113.4 | | |
| 657 | G | 34.2 | Very low | 34.8 | Very low | 69 Ų | 69 | 135.3 Ų | 135.3 | 71% | 0.711 | 73% | 0.726 | S | S | * | * | | | cis | -157.9 | 177.3 | 4.5 | 0 | 0 | 0 | 0 | 0 | 114.7 | | |
| 658 | K | 38.5 | Very low | 35.2 | Very low | 204 Ų | 204 | 136.5 Ų | 136.5 | 89% | 0.887 | 74% | 0.735 | S | S | * | * | | | trans | -96.8 | 179.6 | -170.7 | -52.1 | 173.4 | -175.4 | 173.8 | 0 | 111.2 | | |
| 659 | P | 42.5 | Very low | 35.5 | Very low | 101 Ų | 101 | 133.6 Ų | 133.6 | 66% | 0.656 | 73% | 0.73 | S | S | * | * | | | | -134.2 | -149.6 | -62 | 41.3 | -24.3 | 0 | 0 | 0 | 110.9 | | |
| 660 | Y | 31.7 | Very low | 35.9 | Very low | 202 Ų | 202 | 133.7 Ų | 133.7 | 79% | 0.792 | 73% | 0.73 | S | S | * | * | | | trans | 100.2 | 130.7 | 165.7 | -68.5 | -73.5 | 0 | 0 | 0 | 119.4 | | |
| 661 | L | 34.8 | Very low | 36.2 | Very low | 141 Ų | 141 | 135.2 Ų | 135.2 | 74% | 0.738 | 74% | 0.735 | S | S | * | * | | | trans | 51.9 | 106.5 | 150.5 | -64.4 | 178.2 | 0 | 0 | 0 | 120.4 | | |
| 662 | E | 31.2 | Very low | 36.3 | Very low | 165 Ų | 165 | 139.4 Ų | 139.4 | 77% | 0.771 | 74% | 0.737 | S | S | * | * | | | | 81.3 | 147.4 | 112 | -163.1 | 163.9 | -157.6 | 0 | 0 | 119.3 | | |
| 663 | S | 35.1 | Very low | 36.5 | Very low | 82 Ų | 82 | 141.4 Ų | 141.4 | 57% | 0.573 | 74% | 0.739 | S | S | * | * | | | trans | 62.8 | 112.7 | 172 | 66 | 0 | 0 | 0 | 0 | 118.1 | | |
| 664 | F | 37.1 | Very low | 36.4 | Very low | 195 Ų | 195 | 140.5 Ų | 140.5 | 86% | 0.855 | 74% | 0.741 | S | S | * | * | | | | 165 | 137.4 | 100 | -85.3 | -64.3 | 0 | 0 | 0 | 112.3 | | |
| 665 | Q | 42.2 | Very low | 36.6 | Very low | 162 Ų | 162 | 139.6 Ų | 139.6 | 76% | 0.757 | 75% | 0.754 | S | S | * | * | | | trans | -76.5 | 151 | 164.5 | -80 | -170.9 | -13.6 | 0 | 0 | 111.4 | N667 | Q665-N667 PolarHBondContact OE1-ND2 3.4Š|
| 666 | P | 39.9 | Very low | 36.5 | Very low | 125 Ų | 125 | 137.6 Ų | 137.6 | 81% | 0.812 | 76% | 0.758 | S | S | * | * | | | trans | -101 | 157.8 | 138.3 | -12.5 | 31 | 0 | 0 | 0 | 112.3 | | |
| 667 | N | 33.5 | Very low | 36.1 | Very low | 109 Ų | 109 | 138 Ų | 138 | 58% | 0.583 | 76% | 0.755 | S | S | * | * | | | trans | -118.2 | -174.1 | -178.8 | -101.6 | -101.2 | 0 | 0 | 0 | 111 | Q665 | Q665-N667 PolarHBondContact OE1-ND2 3.4Š|
| 668 | L | 36.9 | Very low | 36.2 | Very low | 145 Ų | 145 | 143.8 Ų | 143.8 | 76% | 0.759 | 76% | 0.764 | S | S | * | * | | | trans | 82.1 | 142.2 | 161.9 | -62.9 | 113.8 | 0 | 0 | 0 | 118.4 | | |
| 669 | H | 37.6 | Very low | 36.3 | Very low | 142 Ų | 142 | 141.6 Ų | 141.6 | 66% | 0.657 | 76% | 0.76 | S | S | * | * | | | cis | -167.8 | 149 | -27.9 | -118 | -164.7 | 0 | 0 | 0 | 111.1 | | |
| 670 | I | 40.3 | Very low | 36.1 | Very low | 132 Ų | 132 | 142 Ų | 142 | 68% | 0.677 | 76% | 0.763 | S | S | * | * | | | trans | 32.4 | 122.8 | 137.8 | -52.2 | 175.2 | 0 | 0 | 0 | 119 | | |
| 671 | T | 36.6 | Very low | 36.1 | Very low | 139 Ų | 139 | 138 Ų | 138 | 85% | 0.853 | 76% | 0.76 | S | S | * | * | | | | -167 | 164 | 112.8 | -65.2 | 0 | 0 | 0 | 0 | 109.9 | | |
| 672 | K | 35.8 | Very low | 36.1 | Very low | 175 Ų | 175 | 138.1 Ų | 138.1 | 76% | 0.761 | 76% | 0.76 | S | S | * | * | | | trans | -148.1 | 153.6 | -160.9 | -178.8 | -172.4 | -176.3 | -176.5 | 0 | 109.3 | | |
| 673 | D | 35.4 | Very low | 36.3 | Very low | 150 Ų | 150 | 135.5 Ų | 135.5 | 80% | 0.802 | 76% | 0.756 | S | S | * | * | | | trans | 172 | 168.9 | 136 | -87.3 | -15.1 | 0 | 0 | 0 | 115.5 | | |
| 674 | A | 35.8 | Very low | 36.4 | Very low | 92 Ų | 92 | 140.2 Ų | 140.2 | 76% | 0.76 | 77% | 0.766 | S | S | * | * | | | trans | 2.6 | 132.4 | 175.7 | 0 | 0 | 0 | 0 | 0 | 120.9 | | |
| 675 | A | 35.1 | Very low | 36.5 | Very low | 103 Ų | 103 | 139.2 Ų | 139.2 | 85% | 0.851 | 76% | 0.761 | S | S | * | * | | | cis | 86.1 | 114.4 | 35 | 0 | 0 | 0 | 0 | 0 | 116.7 | | |
| 676 | S | 33.5 | Very low | 36.1 | Very low | 119 Ų | 119 | 138.3 Ų | 138.3 | 83% | 0.832 | 76% | 0.757 | S | S | * | * | | | trans | -164.4 | 166.5 | 148.9 | -163.2 | 0 | 0 | 0 | 0 | 110.9 | | |
| 677 | N | 31 | Very low | 35.7 | Very low | 145 Ų | 145 | 136.4 Ų | 136.4 | 78% | 0.775 | 74% | 0.743 | S | S | * | * | | | trans | -99.1 | 162.4 | -176.9 | -49.4 | -55.9 | 0 | 0 | 0 | 112.4 | | |
| 678 | E | 35.6 | Very low | 36 | Very low | 191 Ų | 191 | 138.6 Ų | 138.6 | 89% | 0.893 | 75% | 0.754 | S | S | * | * | | | | 176.5 | 157 | 108.1 | -94.7 | 171.1 | -158.6 | 0 | 0 | 112.6 | | |
| 679 | I | 40.7 | Very low | 35.7 | Very low | 158 Ų | 158 | 134.9 Ų | 134.9 | 81% | 0.81 | 74% | 0.739 | S | S | * | * | | | trans | -126.5 | 159.4 | 179.3 | -21.1 | 175.2 | 0 | 0 | 0 | 107.6 | | |
| 680 | P | 37.7 | Very low | 35.3 | Very low | 110 Ų | 110 | 133.5 Ų | 133.5 | 71% | 0.714 | 74% | 0.737 | S | S | * | * | | | | -154.1 | 151.7 | 92.5 | 39.6 | -20.9 | 0 | 0 | 0 | 117.6 | | |
| 681 | T | 32.7 | Very low | 34.7 | Very low | 119 Ų | 119 | 135.1 Ų | 135.1 | 73% | 0.73 | 74% | 0.741 | S | S | * | * | | | trans | 19.6 | 146.8 | 143.1 | 64.2 | 0 | 0 | 0 | 0 | 122.2 | | |
| 682 | L | 33.6 | Very low | 34.2 | Very low | 142 Ų | 142 | 134.5 Ų | 134.5 | 74% | 0.743 | 73% | 0.73 | S | S | * | * | | | | 175.8 | 96.6 | 96.4 | -174.6 | 109.4 | 0 | 0 | 0 | 115 | | |
| 683 | T | 35.6 | Very low | 34.2 | Very low | 110 Ų | 110 | 133.1 Ų | 133.1 | 68% | 0.675 | 73% | 0.726 | S | S | * | * | | | trans | 63.8 | 159.5 | 154.4 | 68.1 | 0 | 0 | 0 | 0 | 118.1 | | |
| 684 | K | 37.9 | Very low | 34.1 | Very low | 182 Ų | 182 | 134.9 Ų | 134.9 | 79% | 0.791 | 73% | 0.73 | S | S | * | * | | | cis | -156.5 | 146.7 | 17.8 | -141.1 | 148.9 | -171.5 | 173.1 | 0 | 111.9 | | |
| 685 | K | 39.6 | Very low | 33.7 | Very low | 173 Ų | 173 | 136.9 Ų | 136.9 | 75% | 0.752 | 72% | 0.721 | S | S | * | * | | | trans | 68.7 | 92 | 147.9 | -145.2 | 168.6 | -169.1 | -165.1 | 0 | 117 | | |
| 686 | E | 32.9 | Very low | 33.5 | Very low | 144 Ų | 144 | 137.4 Ų | 137.4 | 67% | 0.673 | 71% | 0.71 | S | S | * | * | | | | 88.1 | 102.4 | 71.9 | 176.5 | -176.2 | -147.7 | 0 | 0 | 112.4 | | |
| 687 | T | 31.9 | Very low | 33.4 | Very low | 84 Ų | 84 | 138.2 Ų | 138.2 | 52% | 0.515 | 71% | 0.71 | S | S | . | * | | | | 67.5 | 130.6 | 119.5 | -43.7 | 0 | 0 | 0 | 0 | 116.2 | | |
| 688 | I | 39.6 | Very low | 33.6 | Very low | 156 Ų | 156 | 136.3 Ų | 136.3 | 80% | 0.8 | 71% | 0.714 | S | S | * | * | | | | -139.2 | 146.2 | 66.8 | -74.9 | 159.8 | 0 | 0 | 0 | 114.3 | | |
| 689 | S | 29.9 | Very low | 33.4 | Very low | 66 Ų | 66 | 130.6 Ų | 130.6 | 46% | 0.462 | 69% | 0.689 | S | S | . | * | | | trans | -13.8 | 142 | 156.9 | -49.4 | 0 | 0 | 0 | 0 | 118.3 | | |
| 690 | L | 29.7 | Very low | 33.1 | Very low | 114 Ų | 114 | 132 Ų | 132 | 60% | 0.597 | 69% | 0.686 | S | S | * | * | | | | 61.3 | 115 | 62.5 | -86.7 | 172 | 0 | 0 | 0 | 115.2 | | |
| 691 | Q | 28.4 | Very low | 32.9 | Very low | 166 Ų | 166 | 132 Ų | 132 | 78% | 0.776 | 69% | 0.688 | S | S | * | * | | | trans | 62.4 | 178.8 | 149.6 | -78.3 | -167.8 | -93.5 | 0 | 0 | 119.1 | | |
| 692 | M | 26.8 | Very low | 33.3 | Very low | 125 Ų | 125 | 134.7 Ų | 134.7 | 62% | 0.616 | 70% | 0.698 | S | S | * | * | | | trans | 71.5 | 102.9 | 159.2 | -104.2 | 46.6 | -155.9 | 0 | 0 | 117.5 | E694 | M692-E694 VanDerWaalsContact C-N 3.28Å; M692-E694 PolarHBondContact O-N 2.87Å |
| 693 | E | 35 | Very low | 33.4 | Very low | 146 Ų | 146 | 133 Ų | 133 | 68% | 0.682 | 69% | 0.69 | S | S | * | * | | | | 44.1 | 46.9 | 89.3 | -155.5 | 179.3 | 135.8 | 0 | 0 | 116.8 | F695 | E693-F695 HydrophobicContact CG-CD2 4.33Š|
| 694 | E | 33.1 | Very low | 33.4 | Very low | 187 Ų | 187 | 134.2 Ų | 134.2 | 87% | 0.874 | 69% | 0.692 | S | S | * | * | | | trans | -117.7 | 106.4 | 143.2 | -75.5 | -170.7 | 129.8 | 0 | 0 | 106.6 | M692 | M692-E694 VanDerWaalsContact C-N 3.28Å; M692-E694 PolarHBondContact O-N 2.87Å |
| 695 | F | 28 | Very low | 33.5 | Very low | 134 Ų | 134 | 133.1 Ų | 133.1 | 59% | 0.588 | 69% | 0.694 | S | S | * | * | | | cis | 71.5 | 112.7 | 33 | -138.4 | -26.6 | 0 | 0 | 0 | 111 | E693 | E693-F695 HydrophobicContact CG-CD2 4.33Š|
| 696 | N | 31.1 | Very low | 33.3 | Very low | 114 Ų | 114 | 131.1 Ų | 131.1 | 61% | 0.61 | 69% | 0.691 | S | S | * | * | | | trans | 75.3 | 150.6 | 173.3 | -47.1 | -81.4 | 0 | 0 | 0 | 119.4 | E940 | N696-E940 WeakPolarHBondContact CA-OE1 3.44Å; N696-E940 PolarHBondContact N-OE1 3.06Å |
| 697 | T | 30.6 | Very low | 33.3 | Very low | 136 Ų | 136 | 128.7 Ų | 128.7 | 83% | 0.834 | 69% | 0.69 | S | S | * | * | | | trans | 84.1 | 47.4 | 156.8 | -26.2 | 0 | 0 | 0 | 0 | 119.4 | | |
| 698 | A | 34.4 | Very low | 33.5 | Very low | 105 Ų | 105 | 130 Ų | 130 | 87% | 0.868 | 70% | 0.703 | S | S | * | * | S | Bend | trans | -134.6 | 24.2 | 150.6 | 0 | 0 | 0 | 0 | 0 | 113.1 | | |
| 699 | I | 33.2 | Very low | 33.6 | Very low | 72 Ų | 72 | 132.7 Ų | 132.7 | 37% | 0.369 | 71% | 0.709 | S | S | . | * | S | Bend | trans | -123.2 | 144.9 | 167.7 | -57.8 | 179.3 | 0 | 0 | 0 | 106 | K944 | I699-K944 HydrophobicContact CD1-CD 4.01Š|
| 700 | Y | 32.8 | Very low | 33.9 | Very low | 188 Ų | 188 | 137.8 Ų | 137.8 | 74% | 0.737 | 73% | 0.725 | S | S | * | * | | | trans | 73.7 | 94.1 | -169.3 | -69.6 | -84.6 | 0 | 0 | 0 | 116.8 | | |
| 701 | S | 34.2 | Very low | 34.3 | Very low | 109 Ų | 109 | 137.4 Ų | 137.4 | 76% | 0.762 | 72% | 0.724 | S | S | * | * | | | | -165.3 | 98.5 | 127 | -81.7 | 0 | 0 | 0 | 0 | 109.7 | | |
| 702 | N | 40.8 | Very low | 34.6 | Very low | 175 Ų | 175 | 137.1 Ų | 137.1 | 94% | 0.936 | 72% | 0.72 | S | S | * | * | | | trans | 179.9 | 63.6 | 155.4 | -91.9 | -29.2 | 0 | 0 | 0 | 106.5 | | |
| 703 | D | 36.1 | Very low | 35.1 | Very low | 107 Ų | 107 | 138 Ų | 138 | 57% | 0.572 | 73% | 0.725 | S | S | * | * | | | trans | -81.7 | -179.2 | -179.6 | -71.2 | -77.8 | 0 | 0 | 0 | 112.2 | | |
| 704 | D | 35.3 | Very low | 35.1 | Very low | 136 Ų | 136 | 138.5 Ų | 138.5 | 73% | 0.727 | 72% | 0.724 | S | S | * | * | | | trans | 63.3 | 91.9 | 171.6 | -70.7 | -21.9 | 0 | 0 | 0 | 117.7 | | |
| 705 | L | 39.2 | Very low | 35.1 | Very low | 158 Ų | 158 | 137.2 Ų | 137.2 | 83% | 0.827 | 72% | 0.718 | S | S | * | * | | | | -164.8 | 98.1 | 85.1 | -96.9 | 168.8 | 0 | 0 | 0 | 114.1 | | |
| 706 | L | 37.2 | Very low | 35.6 | Very low | 132 Ų | 132 | 136.9 Ų | 136.9 | 69% | 0.691 | 73% | 0.732 | S | S | * | * | | | trans | 43.1 | 106.6 | 134.6 | -62.9 | -179.5 | 0 | 0 | 0 | 119.3 | | |
| 707 | S | 31.7 | Very low | 35.6 | Very low | 92 Ų | 92 | 139.7 Ų | 139.7 | 64% | 0.643 | 74% | 0.742 | S | S | * | * | | | | 82 | 93.2 | 94.5 | 81 | 0 | 0 | 0 | 0 | 114.5 | | |
| 708 | S | 36.5 | Very low | 35.9 | Very low | 113 Ų | 113 | 139.9 Ų | 139.9 | 79% | 0.79 | 74% | 0.743 | S | S | * | * | | | | 70.5 | 111 | 84.1 | 74.9 | 0 | 0 | 0 | 0 | 116.1 | | |
| 709 | K | 41.4 | Very low | 35.8 | Very low | 212 Ų | 212 | 143.3 Ų | 143.3 | 92% | 0.922 | 74% | 0.739 | S | S | * | * | | | | -158.3 | 140.4 | 118 | -134.8 | 170.9 | -177.2 | 173.1 | 0 | 113.4 | | |
| 710 | E | 36.1 | Very low | 36.2 | Very low | 172 Ų | 172 | 146 Ų | 146 | 80% | 0.804 | 76% | 0.763 | S | S | * | * | | | trans | -107.8 | 145.4 | 171.9 | 173.1 | -176.1 | 146.1 | 0 | 0 | 108 | | |
| 711 | D | 37.9 | Very low | 36.4 | Very low | 107 Ų | 107 | 144.2 Ų | 144.2 | 57% | 0.572 | 77% | 0.767 | S | S | * | * | | | | 179 | 141.8 | 124.2 | -137.4 | -23.3 | 0 | 0 | 0 | 113.2 | | |
| 712 | K | 35.7 | Very low | 36.6 | Very low | 159 Ų | 159 | 144.2 Ų | 144.2 | 69% | 0.691 | 77% | 0.767 | S | S | * | * | | | trans | 55.4 | 144 | 143.4 | -92.1 | 168.8 | -153.6 | 83.6 | 0 | 120.7 | | |
| 713 | M | 36.1 | Very low | 36.6 | Very low | 145 Ų | 145 | 141 Ų | 141 | 71% | 0.714 | 76% | 0.758 | S | S | * | * | | | cis | -170.6 | 151.1 | 16.6 | -173.2 | 157.6 | 174.5 | 0 | 0 | 112.5 | | |
| 714 | K | 36.8 | Very low | 37 | Very low | 156 Ų | 156 | 141.2 Ų | 141.2 | 68% | 0.678 | 77% | 0.766 | S | S | * | * | | | trans | 63.5 | 115 | 155.2 | -84.1 | -170.4 | 168.9 | -165.8 | 0 | 123.2 | | |
| 715 | E | 32.2 | Very low | 37.2 | Very low | 160 Ų | 160 | 141.8 Ų | 141.8 | 75% | 0.748 | 77% | 0.767 | S | S | * | * | | | | 37.3 | 108.2 | 111.1 | -58.1 | 172.2 | 145.9 | 0 | 0 | 119.4 | | |
| 716 | S | 38.7 | Very low | 37.2 | Very low | 126 Ų | 126 | 142.7 Ų | 142.7 | 88% | 0.881 | 77% | 0.767 | S | S | * | * | | | | -155.3 | 140.9 | 128.1 | -36.4 | 0 | 0 | 0 | 0 | 110.1 | | |
| 717 | E | 31.2 | Very low | 37.4 | Very low | 173 Ų | 173 | 143.4 Ų | 143.4 | 81% | 0.808 | 77% | 0.77 | S | S | * | * | | | trans | -87.9 | 136.3 | 174.3 | -59.3 | 163.6 | 97.2 | 0 | 0 | 111 | | |
| 718 | T | 37.5 | Very low | 38.1 | Very low | 140 Ų | 140 | 146.1 Ų | 146.1 | 86% | 0.859 | 78% | 0.776 | S | S | * | * | | | trans | -154.8 | 134.5 | 146.4 | -37.2 | 0 | 0 | 0 | 0 | 111.1 | | |
| 719 | F | 30.7 | Very low | 38.3 | Very low | 178 Ų | 178 | 147.2 Ų | 147.2 | 78% | 0.781 | 77% | 0.773 | S | S | * | * | | | trans | -81.2 | 152.5 | 175 | -66.1 | -112.3 | 0 | 0 | 0 | 111.4 | | |
| 720 | S | 41.6 | Very low | 38.3 | Very low | 127 Ų | 127 | 145.8 Ų | 145.8 | 89% | 0.888 | 77% | 0.769 | S | S | * | * | | | | -174 | 152.7 | 128.5 | -81.1 | 0 | 0 | 0 | 0 | 112.6 | | |
| 721 | D | 36.8 | Very low | 38.4 | Very low | 152 Ų | 152 | 146.7 Ų | 146.7 | 81% | 0.813 | 77% | 0.771 | S | S | * | * | | | trans | -104.9 | 177.2 | -170 | -103.8 | -55.8 | 0 | 0 | 0 | 114.2 | | |
| 722 | S | 39.2 | Very low | 38.5 | Very low | 109 Ų | 109 | 146 Ų | 146 | 76% | 0.762 | 77% | 0.773 | S | S | * | * | | | trans | 77.9 | 143 | 161.1 | -53.9 | 0 | 0 | 0 | 0 | 118.3 | | |
| 723 | S | 41.9 | Very low | 38.4 | Very low | 107 Ų | 107 | 143.5 Ų | 143.5 | 75% | 0.748 | 77% | 0.771 | S | S | * | * | | | cis | -162.1 | 159 | -11.6 | -94.3 | 0 | 0 | 0 | 0 | 111.3 | | |
| 724 | P | 42.5 | Very low | 38.3 | Very low | 112 Ų | 112 | 144.8 Ų | 144.8 | 73% | 0.727 | 77% | 0.772 | S | S | * | * | | | trans | -99.2 | -160.8 | 178.4 | 40.8 | -36.3 | 0 | 0 | 0 | 113.8 | | |
| 725 | I | 40.7 | Very low | 38.2 | Very low | 148 Ų | 148 | 143 Ų | 143 | 76% | 0.759 | 78% | 0.775 | S | S | * | * | | | trans | 93.2 | 138.3 | -176.8 | -55.5 | 159.3 | 0 | 0 | 0 | 111.2 | | |
| 726 | E | 39.8 | Very low | 38.2 | Very low | 177 Ų | 177 | 140.7 Ų | 140.7 | 83% | 0.827 | 78% | 0.776 | S | S | * | * | | | cis | -139.5 | -179.5 | 19.6 | -149.4 | 138.2 | -136.3 | 0 | 0 | 115.6 | | |
| 727 | I | 40.6 | Very low | 38.2 | Very low | 147 Ų | 147 | 138.4 Ų | 138.4 | 75% | 0.754 | 76% | 0.764 | S | S | * | * | | | trans | -90.6 | 161.1 | -173.7 | -65.3 | 150.7 | 0 | 0 | 0 | 112.2 | | |
| 728 | I | 45.4 | Very low | 38.3 | Very low | 149 Ų | 149 | 138.4 Ų | 138.4 | 76% | 0.764 | 76% | 0.762 | S | S | * | * | | | trans | 172.4 | 135.6 | 137.3 | -88.7 | 153.2 | 0 | 0 | 0 | 111.9 | | |
| 729 | D | 42.1 | Very low | 38.3 | Very low | 135 Ų | 135 | 137.3 Ų | 137.3 | 72% | 0.722 | 75% | 0.751 | S | S | * | * | | | trans | 18.8 | 158 | 154.9 | -58.8 | -48.7 | 0 | 0 | 0 | 123.6 | | |
| 730 | E | 42 | Very low | 38.5 | Very low | 182 Ų | 182 | 135.7 Ų | 135.7 | 85% | 0.85 | 75% | 0.75 | S | S | * | * | | | cis | -148.3 | -168.4 | 13.7 | -143.4 | -180 | 124.6 | 0 | 0 | 113.6 | | |
| 731 | F | 36.2 | Very low | 38.4 | Very low | 191 Ų | 191 | 133.6 Ų | 133.6 | 84% | 0.838 | 74% | 0.736 | S | S | * | * | | | trans | -110.3 | -153 | -159.8 | -93.3 | -77.1 | 0 | 0 | 0 | 114.6 | | |
| 732 | P | 41.3 | Very low | 38.8 | Very low | 94 Ų | 94 | 131.5 Ų | 131.5 | 61% | 0.61 | 73% | 0.73 | S | S | * | * | | | | -141.8 | -165.4 | -104.5 | 42 | -18.5 | 0 | 0 | 0 | 118.5 | | |
| 733 | T | 33.2 | Very low | 38.7 | Very low | 106 Ų | 106 | 135.3 Ų | 135.3 | 65% | 0.65 | 73% | 0.733 | S | S | * | * | | | trans | 71.8 | 162.1 | 157.8 | 29 | 0 | 0 | 0 | 0 | 117.8 | | |
| 734 | F | 33.6 | Very low | 38.3 | Very low | 171 Ų | 171 | 137.6 Ų | 137.6 | 75% | 0.75 | 73% | 0.732 | S | S | * | * | | | cis | -154.4 | 148.7 | 35.4 | -77.2 | -87.9 | 0 | 0 | 0 | 115.6 | | |
| 735 | V | 35.4 | Very low | 38 | Very low | 120 Ų | 120 | 141.7 Ų | 141.7 | 73% | 0.727 | 73% | 0.734 | S | S | * | * | | | trans | 63.3 | 118.4 | 131.1 | 173.1 | 0 | 0 | 0 | 0 | 120.7 | | |
| 736 | S | 32.3 | Very low | 37.8 | Very low | 110 Ų | 110 | 139.8 Ų | 139.8 | 77% | 0.769 | 73% | 0.73 | S | S | * | * | | | | 82.2 | 151 | 72.9 | 126.6 | 0 | 0 | 0 | 0 | 115.5 | | |
| 737 | A | 37.7 | Very low | 37.6 | Very low | 78 Ų | 78 | 137.5 Ų | 137.5 | 65% | 0.645 | 72% | 0.723 | S | S | * | * | | | cis | -176.8 | 178.2 | -11 | 0 | 0 | 0 | 0 | 0 | 111.2 | | |
| 738 | K | 32.8 | Very low | 37.5 | Very low | 174 Ų | 174 | 136.6 Ų | 136.6 | 76% | 0.757 | 72% | 0.719 | S | S | * | * | | | trans | 68 | 145.6 | 160.2 | -62.2 | -171.4 | 68.3 | 52.2 | 0 | 117 | | |
| 739 | D | 37.9 | Very low | 36.9 | Very low | 116 Ų | 116 | 137 Ų | 137 | 62% | 0.62 | 72% | 0.718 | S | S | * | * | | | cis | -145.7 | -161.6 | -10.2 | -83.8 | -23.5 | 0 | 0 | 0 | 106.8 | | |
| 740 | D | 35.6 | Very low | 36.6 | Very low | 145 Ų | 145 | 136.1 Ų | 136.1 | 78% | 0.775 | 72% | 0.717 | S | S | * | * | | | cis | -158.7 | -172.4 | 15.7 | -168.7 | 39.8 | 0 | 0 | 0 | 113.8 | | |
| 741 | S | 39.4 | Very low | 36.2 | Very low | 83 Ų | 83 | 131.6 Ų | 131.6 | 58% | 0.58 | 71% | 0.706 | S | S | * | * | | | trans | -56.2 | 170.1 | -172 | 66.9 | 0 | 0 | 0 | 0 | 123 | | |
| 742 | P | 44.5 | Very low | 35.9 | Very low | 107 Ų | 107 | 129.5 Ų | 129.5 | 70% | 0.695 | 70% | 0.703 | S | S | * | * | | | trans | -127.2 | -173.6 | -166.3 | 44.6 | -29.4 | 0 | 0 | 0 | 116.2 | | |
| 743 | K | 38 | Very low | 35.7 | Very low | 190 Ų | 190 | 133.6 Ų | 133.6 | 83% | 0.826 | 71% | 0.711 | S | S | * | * | | | trans | 177.7 | 157.2 | 159.3 | -99.6 | 154.8 | 175.7 | 177.4 | 0 | 111.3 | | |
| 744 | E | 33.7 | Very low | 35.8 | Very low | 155 Ų | 155 | 133 Ų | 133 | 72% | 0.724 | 71% | 0.711 | S | S | * | * | | | cis | -170.7 | 139.1 | -19.4 | 163.1 | 169.5 | -166.4 | 0 | 0 | 110.8 | | |
| 745 | Y | 35.2 | Very low | 35.8 | Very low | 197 Ų | 197 | 132.4 Ų | 132.4 | 77% | 0.773 | 71% | 0.711 | S | S | * | * | | | trans | 45 | 125 | 158.6 | -110 | -122.1 | 0 | 0 | 0 | 124.6 | | |
| 746 | T | 36.2 | Very low | 35.9 | Very low | 108 Ų | 108 | 133.4 Ų | 133.4 | 66% | 0.663 | 71% | 0.711 | S | S | * | * | | | trans | 61.2 | 161.2 | 139.2 | 55 | 0 | 0 | 0 | 0 | 119.8 | | |
| 747 | D | 37 | Very low | 36.2 | Very low | 130 Ų | 130 | 132.7 Ų | 132.7 | 70% | 0.695 | 71% | 0.712 | S | S | * | * | | | cis | -155 | 171.3 | 19.2 | -151.3 | -1.6 | 0 | 0 | 0 | 114 | | |
| 748 | L | 38.7 | Very low | 36 | Very low | 128 Ų | 128 | 135.8 Ų | 135.8 | 67% | 0.67 | 72% | 0.717 | S | S | * | * | | | trans | 54.7 | 125.8 | 152.2 | -114.8 | 73.5 | 0 | 0 | 0 | 123.6 | | |
| 749 | E | 31.9 | Very low | 36.3 | Very low | 158 Ų | 158 | 133 Ų | 133 | 74% | 0.738 | 71% | 0.714 | S | S | * | * | | | trans | 58.2 | 124.1 | 132.7 | -84.5 | -168.2 | 75.3 | 0 | 0 | 124.8 | | |
| 750 | V | 36.3 | Very low | 36.2 | Very low | 115 Ų | 115 | 135.7 Ų | 135.7 | 70% | 0.697 | 72% | 0.723 | S | S | * | * | | | | 90.9 | 131 | 125.1 | 164.8 | 0 | 0 | 0 | 0 | 122 | | |
| 751 | S | 33.3 | Very low | 36.2 | Very low | 88 Ų | 88 | 134.6 Ų | 134.6 | 62% | 0.615 | 73% | 0.727 | S | S | * | * | | | trans | 69.9 | 112.7 | 157 | -83 | 0 | 0 | 0 | 0 | 121.4 | | |
| 752 | N | 29.1 | Very low | 36 | Very low | 147 Ų | 147 | 134 Ų | 134 | 79% | 0.786 | 73% | 0.734 | S | S | * | * | | | | 40.9 | 118.6 | 107.3 | -58.4 | -63.5 | 0 | 0 | 0 | 117.3 | | |
| 753 | K | 37.2 | Very low | 35.6 | Very low | 180 Ų | 180 | 132.8 Ų | 132.8 | 78% | 0.783 | 73% | 0.733 | S | S | * | * | | | | 148 | 137.9 | 87.8 | -158.6 | -163.9 | 173.1 | -173.8 | 0 | 111.6 | | |
| 754 | S | 35.3 | Very low | 35.4 | Very low | 93 Ų | 93 | 131.3 Ų | 131.3 | 65% | 0.65 | 73% | 0.734 | S | S | * | * | | | trans | 62.4 | 157.7 | 148.8 | 47.8 | 0 | 0 | 0 | 0 | 120 | | |
| 755 | E | 34.2 | Very low | 35.5 | Very low | 159 Ų | 159 | 129.2 Ų | 129.2 | 74% | 0.743 | 74% | 0.737 | S | S | * | * | | | cis | 179.5 | 172.8 | -24.2 | -166.2 | -172.5 | 129 | 0 | 0 | 106.9 | | |
| 756 | I | 37.4 | Very low | 35.2 | Very low | 141 Ų | 141 | 127.8 Ų | 127.8 | 72% | 0.723 | 74% | 0.742 | S | S | * | * | | | trans | 60.9 | 117.9 | 162.9 | -14.8 | 176.8 | 0 | 0 | 0 | 119 | | |
| 757 | A | 39.6 | Very low | 35.1 | Very low | 95 Ų | 95 | 128.1 Ų | 128.1 | 79% | 0.785 | 75% | 0.746 | S | S | * | * | | | | 133.4 | 150.1 | 113.6 | 0 | 0 | 0 | 0 | 0 | 115.7 | | |
| 758 | N | 32.9 | Very low | 34.5 | Very low | 143 Ų | 143 | 127.7 Ų | 127.7 | 77% | 0.765 | 75% | 0.751 | S | S | * | * | | | cis | -173 | 166.1 | -31.2 | -169.2 | 11.5 | 0 | 0 | 0 | 107.9 | | |
| 759 | V | 39.2 | Very low | 34.1 | Very low | 114 Ų | 114 | 125.4 Ų | 125.4 | 69% | 0.691 | 75% | 0.746 | S | S | * | * | | | trans | 74.9 | 146.1 | 161.4 | -171.4 | 0 | 0 | 0 | 0 | 117.5 | | |
| 760 | Q | 35.7 | Very low | 34.1 | Very low | 174 Ų | 174 | 125.2 Ų | 125.2 | 81% | 0.813 | 75% | 0.745 | S | S | * | * | | | cis | -176.5 | 161.2 | -38.7 | -165 | 164.4 | 13.8 | 0 | 0 | 108.5 | | |
| 761 | S | 35.8 | Very low | 33.9 | Very low | 121 Ų | 121 | 127.1 Ų | 127.1 | 85% | 0.846 | 75% | 0.75 | S | S | * | * | | | trans | 74.8 | 140 | 169.2 | -154.6 | 0 | 0 | 0 | 0 | 114.4 | | |
| 762 | G | 34.5 | Very low | 34 | Very low | 72 Ų | 72 | 128.5 Ų | 128.5 | 74% | 0.742 | 76% | 0.757 | S | S | * | * | | | cis | 140.9 | 152.8 | 7.5 | 0 | 0 | 0 | 0 | 0 | 108.7 | | |
| 763 | A | 35.6 | Very low | 34.3 | Very low | 81 Ų | 81 | 127.3 Ų | 127.3 | 67% | 0.669 | 76% | 0.759 | S | S | * | * | | | cis | -159.1 | -171.8 | -1.4 | 0 | 0 | 0 | 0 | 0 | 109 | | |
| 764 | N | 35.4 | Very low | 34.2 | Very low | 159 Ų | 159 | 125.8 Ų | 125.8 | 85% | 0.85 | 76% | 0.76 | S | S | * | * | | | trans | 75.3 | 145.8 | 172.9 | -34 | -37.1 | 0 | 0 | 0 | 115.7 | | |
| 765 | S | 35.5 | Very low | 34.2 | Very low | 110 Ų | 110 | 127.3 Ų | 127.3 | 77% | 0.769 | 76% | 0.76 | S | S | * | * | | | cis | -170.3 | 138.2 | -29.4 | 45.8 | 0 | 0 | 0 | 0 | 110.2 | | |
| 766 | L | 28.8 | Very low | 34.3 | Very low | 168 Ų | 168 | 124.7 Ų | 124.7 | 88% | 0.88 | 76% | 0.759 | S | S | * | * | | | trans | -76.6 | -174.8 | 163.8 | -61.2 | 164 | 0 | 0 | 0 | 110.1 | | |
| 767 | P | 33 | Very low | 34.1 | Very low | 115 Ų | 115 | 126.5 Ų | 126.5 | 75% | 0.747 | 76% | 0.762 | S | S | * | * | | | cis | -135.6 | 176 | -7 | 27.8 | -3.4 | 0 | 0 | 0 | 116.2 | | |
| 768 | C | 26.1 | Very low | 34.1 | Very low | 121 Ų | 121 | 131.3 Ų | 131.3 | 82% | 0.818 | 77% | 0.765 | S | S | * | * | | | trans | 31.9 | 154.7 | 134.3 | -153.7 | 0 | 0 | 0 | 0 | 125 | | |
| 769 | S | 30 | Very low | 34.1 | Very low | 79 Ų | 79 | 131.3 Ų | 131.3 | 55% | 0.552 | 77% | 0.765 | S | S | * | * | | | trans | 109.1 | 125.1 | 142.6 | -86 | 0 | 0 | 0 | 0 | 121.9 | | |
| 770 | E | 31.5 | Very low | 33.9 | Very low | 154 Ų | 154 | 132.1 Ų | 132.1 | 72% | 0.72 | 77% | 0.771 | S | S | * | * | | | trans | 75.9 | 118.3 | 135.2 | -68.6 | 162.7 | -117.9 | 0 | 0 | 119.1 | | |
| 771 | L | 31 | Very low | 34 | Very low | 155 Ų | 155 | 134.4 Ų | 134.4 | 81% | 0.812 | 77% | 0.774 | S | S | * | * | | | | 74.2 | 157.2 | 84 | -74 | 179.5 | 0 | 0 | 0 | 114.1 | | |
| 772 | P | 36.9 | Very low | 34 | Very low | 117 Ų | 117 | 134.3 Ų | 134.3 | 76% | 0.76 | 77% | 0.77 | S | S | * | * | | | cis | -124.8 | -168.2 | -9.5 | 32.8 | -11.6 | 0 | 0 | 0 | 113.5 | | |
| 773 | C | 34 | Very low | 33.9 | Very low | 122 Ų | 122 | 138.8 Ų | 138.8 | 82% | 0.824 | 77% | 0.769 | S | S | * | * | | | trans | -69.7 | 160.2 | 175.2 | -47.2 | 0 | 0 | 0 | 0 | 113.9 | | |
| 774 | D | 36.3 | Very low | 33.6 | Very low | 148 Ų | 148 | 139.7 Ų | 139.7 | 79% | 0.791 | 76% | 0.763 | S | S | * | * | | | trans | -151.9 | 157 | 148.2 | -141.9 | -8.7 | 0 | 0 | 0 | 115.8 | | |
| 775 | L | 34.1 | Very low | 33.3 | Very low | 125 Ų | 125 | 140.3 Ų | 140.3 | 65% | 0.654 | 76% | 0.76 | S | S | * | * | | | trans | -17.4 | 147 | 171.8 | -71.9 | 159.5 | 0 | 0 | 0 | 119.7 | F777 | L775-F777 HydrophobicContact CD2-CD2 4.19Å; L775-F777 HydrophobicContact CD2-CE2 3.72Å |
| 776 | S | 36.3 | Very low | 33 | Very low | 105 Ų | 105 | 139 Ų | 139 | 73% | 0.734 | 76% | 0.757 | S | S | * | * | | | | -176.4 | 155.4 | 54.4 | 33.5 | 0 | 0 | 0 | 0 | 116.6 | | |
| 777 | F | 34.5 | Very low | 33.2 | Very low | 179 Ų | 179 | 139.3 Ų | 139.3 | 79% | 0.785 | 75% | 0.753 | S | S | * | * | | | trans | -6.5 | 155.2 | 150.7 | -58.1 | -88.2 | 0 | 0 | 0 | 120.4 | L775 | L775-F777 HydrophobicContact CD2-CD2 4.19Å; L775-F777 HydrophobicContact CD2-CE2 3.72Å |
| 778 | K | 38.9 | Very low | 33.1 | Very low | 196 Ų | 196 | 139.8 Ų | 139.8 | 85% | 0.852 | 75% | 0.753 | S | S | * | * | | | | -174 | 148.9 | 54.2 | -166.3 | 171.8 | -178.7 | 177.1 | 0 | 116.4 | | |
| 779 | N | 32.2 | Very low | 33.3 | Very low | 142 Ų | 142 | 138.8 Ų | 138.8 | 76% | 0.759 | 75% | 0.748 | S | S | * | * | | | trans | -22.1 | 151.8 | 165.8 | -71.2 | 11.5 | 0 | 0 | 0 | 119.3 | | |
| 780 | T | 36.8 | Very low | 33.3 | Very low | 132 Ų | 132 | 141.3 Ų | 141.3 | 81% | 0.81 | 76% | 0.755 | S | S | * | * | | | | -170 | 139.2 | 78.8 | -64.9 | 0 | 0 | 0 | 0 | 114.8 | | |
| 781 | Y | 36.6 | Very low | 33.5 | Very low | 222 Ų | 222 | 141.4 Ų | 141.4 | 87% | 0.871 | 76% | 0.756 | S | S | * | * | | | trans | -89.3 | 152.3 | 168.7 | -86.4 | -92.7 | 0 | 0 | 0 | 111.9 | | |
| 782 | P | 36.7 | Very low | 33.3 | Very low | 119 Ų | 119 | 143 Ų | 143 | 77% | 0.773 | 76% | 0.756 | S | S | * | * | | | | -150.9 | -178.7 | 100.8 | 38.5 | -21.7 | 0 | 0 | 0 | 114.6 | | |
| 783 | K | 31.1 | Very low | 33.3 | Very low | 166 Ų | 166 | 142.8 Ų | 142.8 | 72% | 0.722 | 76% | 0.758 | S | S | * | * | | | cis | -176 | 159 | -42.7 | -157.5 | -174 | 169.6 | -77.7 | 0 | 107.2 | | |
| 784 | D | 30.6 | Very low | 33 | Very low | 100 Ų | 100 | 146 Ų | 146 | 54% | 0.535 | 76% | 0.758 | S | S | . | * | | | trans | 74.1 | 117.4 | 156.4 | -63.4 | -29 | 0 | 0 | 0 | 123.8 | | |
| 785 | E | 28.6 | Very low | 32.6 | Very low | 171 Ų | 171 | 143.3 Ų | 143.3 | 80% | 0.799 | 75% | 0.75 | S | S | * | * | | | | 67.8 | 112.4 | 119.9 | -61 | -174.8 | 169.4 | 0 | 0 | 124 | | |
| 786 | A | 29.5 | Very low | 32.5 | Very low | 84 Ų | 84 | 147.8 Ų | 147.8 | 69% | 0.694 | 76% | 0.758 | S | S | * | * | | | | 81.2 | 161.8 | 120.1 | 0 | 0 | 0 | 0 | 0 | 122.3 | | |
| 787 | H | 33.1 | Very low | 32.2 | Very low | 174 Ų | 174 | 147.1 Ų | 147.1 | 81% | 0.806 | 75% | 0.754 | S | S | * | * | | | trans | 67.8 | 122.3 | -175.2 | -64.9 | -90.6 | 0 | 0 | 0 | 115.5 | | |
| 788 | V | 30.8 | Very low | 32 | Very low | 124 Ų | 124 | 143.8 Ų | 143.8 | 75% | 0.752 | 75% | 0.753 | S | S | * | * | | | cis | 84.7 | 134.1 | 40.8 | 177.6 | 0 | 0 | 0 | 0 | 112.4 | | |
| 789 | S | 30.3 | Very low | 31.9 | Very low | 100 Ų | 100 | 140.8 Ų | 140.8 | 70% | 0.699 | 75% | 0.751 | S | S | * | * | | | trans | 72.5 | 144.5 | -178 | -76.7 | 0 | 0 | 0 | 0 | 115.2 | | |
| 790 | D | 29.8 | Very low | 31.8 | Very low | 133 Ų | 133 | 138.6 Ų | 138.6 | 71% | 0.711 | 75% | 0.746 | S | S | * | * | | | cis | -157 | 178.5 | -9.4 | -130.7 | -54.7 | 0 | 0 | 0 | 113.4 | | |
| 791 | E | 34.8 | Very low | 32.1 | Very low | 155 Ų | 155 | 142 Ų | 142 | 72% | 0.724 | 75% | 0.75 | S | S | * | * | | | trans | 62.9 | 127.4 | 149.9 | -80.9 | -164.3 | 90.4 | 0 | 0 | 122.4 | | |
| 792 | F | 27.6 | Very low | 32.2 | Very low | 189 Ų | 189 | 137.5 Ų | 137.5 | 83% | 0.829 | 75% | 0.745 | S | S | * | * | | | | 32.6 | 131.6 | 115.6 | -81.8 | -106.2 | 0 | 0 | 0 | 118.1 | | |
| 793 | S | 36 | Very low | 32.2 | Very low | 112 Ų | 112 | 136.6 Ų | 136.6 | 78% | 0.783 | 74% | 0.739 | S | S | * | * | | | cis | -171.6 | 166.9 | 38.2 | 41.7 | 0 | 0 | 0 | 0 | 113.9 | | |
| 794 | K | 29.5 | Very low | 32.5 | Very low | 191 Ų | 191 | 135.4 Ų | 135.4 | 83% | 0.83 | 74% | 0.74 | S | S | * | * | | | trans | -93.8 | 153 | 170.9 | -171.8 | -171.2 | 179 | 171.4 | 0 | 110.2 | | |
| 795 | S | 27.9 | Very low | 32.9 | Very low | 90 Ų | 90 | 138.4 Ų | 138.4 | 63% | 0.629 | 76% | 0.756 | S | S | * | * | | | trans | 97.9 | 136.3 | 148.6 | -20.7 | 0 | 0 | 0 | 0 | 120.8 | | |
| 796 | R | 31.6 | Very low | 33.1 | Very low | 219 Ų | 219 | 137.2 Ų | 137.2 | 83% | 0.826 | 75% | 0.754 | S | S | * | * | | | | 89.4 | 79.1 | 123.9 | -164.2 | 172.1 | -75.7 | 163.8 | -3.7 | 120.8 | | |
| 797 | S | 29.2 | Very low | 33.5 | Very low | 92 Ų | 92 | 139.4 Ų | 139.4 | 64% | 0.643 | 76% | 0.761 | S | S | * | * | | | | 66 | 143.2 | 112 | 76.7 | 0 | 0 | 0 | 0 | 123.8 | | |
| 798 | S | 31.5 | Very low | 33.3 | Very low | 109 Ų | 109 | 137.2 Ų | 137.2 | 76% | 0.762 | 76% | 0.755 | S | S | * | * | | | trans | 73.3 | 151.5 | 151.1 | -48.7 | 0 | 0 | 0 | 0 | 115.4 | | |
| 799 | V | 35.1 | Very low | 33.6 | Very low | 133 Ų | 133 | 137.8 Ų | 137.8 | 81% | 0.806 | 76% | 0.759 | S | S | * | * | | | cis | -155 | 141.5 | 38.2 | 164.4 | 0 | 0 | 0 | 0 | 111.8 | | |
| 800 | S | 31.7 | Very low | 33.7 | Very low | 96 Ų | 96 | 137.6 Ų | 137.6 | 67% | 0.671 | 76% | 0.758 | S | S | * | * | | | trans | 47.2 | 121.1 | 151 | -161.8 | 0 | 0 | 0 | 0 | 122.2 | | |
| 801 | K | 43 | Very low | 33.7 | Very low | 202 Ų | 202 | 135.8 Ų | 135.8 | 88% | 0.878 | 76% | 0.761 | S | S | * | * | | | | -158 | 146 | 101.5 | -108.8 | 169.3 | -176.5 | 173.5 | 0 | 114.9 | | |
| 802 | V | 37.2 | Very low | 33.3 | Very low | 128 Ų | 128 | 135.4 Ų | 135.4 | 78% | 0.776 | 76% | 0.763 | S | S | * | * | | | trans | -136.9 | 163.3 | -175.6 | 161.8 | 0 | 0 | 0 | 0 | 105 | | |
| 803 | P | 36.7 | Very low | 33.4 | Very low | 100 Ų | 100 | 134.1 Ų | 134.1 | 65% | 0.649 | 76% | 0.76 | S | S | * | * | | | cis | -124 | -172.6 | -0.8 | 23.2 | 1.1 | 0 | 0 | 0 | 114 | | |
| 804 | L | 37.8 | Very low | 33.2 | Very low | 141 Ų | 141 | 133.8 Ų | 133.8 | 74% | 0.738 | 76% | 0.757 | S | S | * | * | | | | 163.3 | 123.7 | 108.5 | -82.9 | 172.1 | 0 | 0 | 0 | 115.3 | | |
| 805 | L | 38.4 | Very low | 33.4 | Very low | 164 Ų | 164 | 133 Ų | 133 | 86% | 0.859 | 76% | 0.756 | S | S | * | * | | | trans | 69.1 | 143.3 | 141.7 | -61.7 | 172.3 | 0 | 0 | 0 | 122.7 | | |
| 806 | L | 34.4 | Very low | 33.7 | Very low | 145 Ų | 145 | 134.6 Ų | 134.6 | 76% | 0.759 | 76% | 0.757 | S | S | * | * | | | trans | -76.8 | 167.2 | 174.5 | -148.7 | 73.6 | 0 | 0 | 0 | 111 | N808 | L806-N808 HydrophobicContact CD2-CB 3.78Š|
| 807 | P | 36.6 | Very low | 33.9 | Very low | 131 Ų | 131 | 131.4 Ų | 131.4 | 85% | 0.851 | 75% | 0.751 | S | S | * | * | | | | -136.5 | 137 | 104.2 | 36.9 | -27.5 | 0 | 0 | 0 | 114.8 | | |
| 808 | N | 29.1 | Very low | 34.2 | Very low | 127 Ų | 127 | 133.9 Ų | 133.9 | 68% | 0.679 | 75% | 0.754 | S | S | * | * | | | trans | -100.5 | 134.3 | 155.2 | 168.6 | 1 | 0 | 0 | 0 | 105.9 | L806 | L806-N808 HydrophobicContact CD2-CB 3.78Š|
| 809 | V | 37.7 | Very low | 34.6 | Very low | 136 Ų | 136 | 131.7 Ų | 131.7 | 82% | 0.824 | 75% | 0.749 | S | S | * | * | | | trans | -166.3 | 144.5 | 144.7 | 133 | 0 | 0 | 0 | 0 | 111.9 | | |
| 810 | S | 31.1 | Very low | 34.7 | Very low | 97 Ų | 97 | 131.8 Ų | 131.8 | 68% | 0.678 | 75% | 0.745 | S | S | * | * | | | trans | -51.7 | 145.2 | -178.6 | -41.9 | 0 | 0 | 0 | 0 | 118.9 | | |
| 811 | A | 30.2 | Very low | 34.8 | Very low | 95 Ų | 95 | 133.9 Ų | 133.9 | 79% | 0.785 | 75% | 0.748 | S | S | * | * | | | | 74.5 | 150.9 | 126 | 0 | 0 | 0 | 0 | 0 | 123.5 | | |
| 812 | L | 27 | Very low | 34.7 | Very low | 147 Ų | 147 | 130.5 Ų | 130.5 | 77% | 0.77 | 74% | 0.743 | S | S | * | * | | | trans | 107.5 | 116.4 | 135.4 | -152.8 | 68.1 | 0 | 0 | 0 | 119.8 | | |
| 813 | E | 29.4 | Very low | 34.6 | Very low | 161 Ų | 161 | 133.6 Ų | 133.6 | 75% | 0.752 | 75% | 0.747 | S | S | * | * | | | trans | 67.6 | 155.1 | 146.2 | -77.2 | 179.2 | 130.6 | 0 | 0 | 125.8 | | |
| 814 | S | 31.6 | Very low | 34.8 | Very low | 105 Ų | 105 | 134.6 Ų | 134.6 | 73% | 0.734 | 75% | 0.753 | S | S | * | * | | | trans | 77.7 | 115.1 | 160.5 | 62.2 | 0 | 0 | 0 | 0 | 118 | | |
| 815 | Q | 33.7 | Very low | 34.5 | Very low | 174 Ų | 174 | 136.8 Ų | 136.8 | 81% | 0.813 | 76% | 0.757 | S | S | * | * | | | | 66.1 | 134 | 79.8 | -85.7 | -168.9 | 97.6 | 0 | 0 | 112.3 | | |
| 816 | I | 35.6 | Very low | 34.2 | Very low | 124 Ų | 124 | 134.7 Ų | 134.7 | 64% | 0.636 | 75% | 0.75 | S | S | * | * | | | cis | -162.9 | 138.4 | 41 | -123 | 147.4 | 0 | 0 | 0 | 108.1 | | |
| 817 | E | 34.6 | Very low | 34.1 | Very low | 153 Ų | 153 | 135.1 Ų | 135.1 | 72% | 0.715 | 75% | 0.752 | S | S | * | * | | | | 64.7 | 149.6 | 111.2 | -111.5 | -178.9 | 174.5 | 0 | 0 | 117.3 | | |
| 818 | M | 36.3 | Very low | 34 | Very low | 143 Ų | 143 | 134.1 Ų | 134.1 | 70% | 0.704 | 74% | 0.744 | S | S | * | * | | | cis | -161.2 | 139.5 | 12.9 | -175.4 | -176.5 | -84.9 | 0 | 0 | 113.7 | | |
| 819 | G | 39.3 | Very low | 34.4 | Very low | 64 Ų | 64 | 135.2 Ų | 135.2 | 66% | 0.66 | 74% | 0.743 | S | S | * | * | | | trans | 80 | 161.6 | 148.6 | 0 | 0 | 0 | 0 | 0 | 121.2 | | |
| 820 | N | 36.9 | Very low | 34.3 | Very low | 134 Ų | 134 | 135.9 Ų | 135.9 | 72% | 0.717 | 74% | 0.737 | S | S | * | * | | | cis | -163.4 | 122.9 | -8.7 | -103.3 | -15.9 | 0 | 0 | 0 | 115.9 | | |
| 821 | I | 34.4 | Very low | 34.4 | Very low | 141 Ų | 141 | 135.5 Ų | 135.5 | 72% | 0.723 | 74% | 0.74 | S | S | * | * | | | trans | 62.9 | 149.6 | 130.1 | -43.1 | 167 | 0 | 0 | 0 | 122.5 | | |
| 822 | V | 41.6 | Very low | 34.7 | Very low | 130 Ų | 130 | 138.8 Ų | 138.8 | 79% | 0.788 | 74% | 0.739 | S | S | * | * | | | trans | 88 | 128.1 | 165.8 | -167.7 | 0 | 0 | 0 | 0 | 114.9 | | |
| 823 | K | 34.6 | Very low | 35.1 | Very low | 194 Ų | 194 | 138.4 Ų | 138.4 | 84% | 0.843 | 73% | 0.733 | S | S | * | * | | | cis | 137.8 | 152.5 | -3.8 | -93.2 | -169.3 | 173.7 | -179.9 | 0 | 109 | | |
| 824 | P | 41.2 | Very low | 35.5 | Very low | 121 Ų | 121 | 138.6 Ų | 138.6 | 79% | 0.786 | 73% | 0.732 | S | S | * | * | | | trans | -112.2 | -173.9 | -153.8 | 43.1 | -36.5 | 0 | 0 | 0 | 115.2 | | |
| 825 | K | 31.8 | Very low | 35.6 | Very low | 187 Ų | 187 | 141.2 Ų | 141.2 | 81% | 0.813 | 74% | 0.736 | S | S | * | * | | | trans | 157.2 | 121 | 134.6 | 175.4 | 165.4 | -177.4 | 176.6 | 0 | 117.9 | | |
| 826 | V | 30.7 | Very low | 35.9 | Very low | 120 Ų | 120 | 137.8 Ų | 137.8 | 73% | 0.727 | 73% | 0.729 | S | S | * | * | | | trans | 61.3 | 137.9 | 142.7 | 170.2 | 0 | 0 | 0 | 0 | 119.2 | | |
| 827 | L | 33.4 | Very low | 35.8 | Very low | 153 Ų | 153 | 136.6 Ų | 136.6 | 80% | 0.801 | 73% | 0.732 | S | S | * | * | | | | -168.7 | 174.8 | 77.2 | -160.1 | 123.5 | 0 | 0 | 0 | 114.8 | | |
| 828 | T | 33.6 | Very low | 35.9 | Very low | 111 Ų | 111 | 136.2 Ų | 136.2 | 68% | 0.681 | 74% | 0.735 | S | S | * | * | | | trans | -107.9 | 164.5 | -166.2 | 49.5 | 0 | 0 | 0 | 0 | 116.3 | | |
| 829 | K | 38.7 | Very low | 36.1 | Very low | 150 Ų | 150 | 135.4 Ų | 135.4 | 65% | 0.652 | 74% | 0.738 | S | S | * | * | | | trans | 154.5 | 125 | 131 | -88.7 | 179 | 164.6 | -77.3 | 0 | 113.5 | | |
| 830 | E | 34.5 | Very low | 36.4 | Very low | 150 Ų | 150 | 139.7 Ų | 139.7 | 70% | 0.701 | 74% | 0.741 | S | S | * | * | | | | 79.5 | 121.3 | 107 | -71.8 | 167 | -179.1 | 0 | 0 | 114.7 | | |
| 831 | A | 34.3 | Very low | 36.7 | Very low | 89 Ų | 89 | 142.1 Ų | 142.1 | 74% | 0.736 | 75% | 0.745 | S | S | * | * | | | | 84.3 | 150.6 | 75 | 0 | 0 | 0 | 0 | 0 | 112.2 | | |
| 832 | E | 35.2 | Very low | 37.3 | Very low | 163 Ų | 163 | 143.9 Ų | 143.9 | 76% | 0.762 | 75% | 0.75 | S | S | * | * | | | cis | -163.1 | 168.7 | 22.9 | -146.2 | -178.2 | 81.6 | 0 | 0 | 111.2 | | |
| 833 | E | 35.8 | Very low | 37.2 | Very low | 139 Ų | 139 | 144.9 Ų | 144.9 | 65% | 0.65 | 75% | 0.751 | S | S | * | * | | | trans | 61.4 | 143.2 | 152.6 | -78.1 | -155.7 | 146.2 | 0 | 0 | 122.6 | | |
| 834 | K | 36.7 | Very low | 37.7 | Very low | 166 Ų | 166 | 146.4 Ų | 146.4 | 72% | 0.722 | 75% | 0.752 | S | S | * | * | | | cis | -143.7 | 166.1 | -4.6 | -60.6 | -166.6 | -168.7 | -88.5 | 0 | 112.9 | | |
| 835 | L | 35.3 | Very low | 38.3 | Very low | 159 Ų | 159 | 144.4 Ų | 144.4 | 83% | 0.832 | 74% | 0.741 | S | S | * | * | | | trans | -68.8 | -178.4 | 162 | -117 | 68.2 | 0 | 0 | 0 | 113.4 | | |
| 836 | P | 40.2 | Very low | 39.2 | Very low | 103 Ų | 103 | 141.9 Ų | 141.9 | 67% | 0.669 | 74% | 0.735 | S | S | * | * | | | cis | -138.1 | -173.7 | -15.7 | 38.1 | -18.8 | 0 | 0 | 0 | 116.2 | | |
| 837 | S | 32 | Very low | 40.2 | Very low | 98 Ų | 98 | 140.4 Ų | 140.4 | 69% | 0.685 | 73% | 0.726 | S | S | * | * | | | trans | 116.3 | 123.7 | 133.4 | 71.6 | 0 | 0 | 0 | 0 | 121.8 | | |
| 838 | D | 36.7 | Very low | 41.3 | Very low | 145 Ų | 145 | 136.6 Ų | 136.6 | 78% | 0.775 | 72% | 0.717 | S | S | * | * | | | trans | 91.2 | 133.8 | 140.1 | -61.3 | -4.8 | 0 | 0 | 0 | 125.5 | | |
| 839 | T | 42.2 | Very low | 42.2 | Very low | 126 Ų | 126 | 136.2 Ų | 136.2 | 77% | 0.773 | 72% | 0.715 | S | S | * | * | | | trans | 72.7 | 96.2 | 156.3 | 46.1 | 0 | 0 | 0 | 0 | 122.3 | | |
| 840 | E | 45.4 | Very low | 42.8 | Very low | 154 Ų | 154 | 133.6 Ų | 133.6 | 72% | 0.72 | 71% | 0.707 | S | S | * | * | | | trans | 17 | 132.7 | 130.9 | -39.2 | 174.5 | 110.2 | 0 | 0 | 121.7 | | |
| 841 | K | 42.8 | Very low | 43.6 | Very low | 186 Ų | 186 | 129.4 Ų | 129.4 | 81% | 0.809 | 69% | 0.694 | S | S | * | * | | | | 145.8 | 99.9 | 121.5 | -81.4 | 154.5 | -170.3 | 161.3 | 0 | 113.7 | | |
| 842 | E | 47.7 | Very low | 44.4 | Very low | 177 Ų | 177 | 127.6 Ų | 127.6 | 83% | 0.827 | 68% | 0.68 | S | S | * | * | | | trans | -155.3 | 86.3 | 144.7 | -158.3 | 174.3 | 169.8 | 0 | 0 | 111.8 | | |
| 843 | D | 38.2 | Very low | 45.3 | Very low | 152 Ų | 152 | 124.4 Ų | 124.4 | 81% | 0.813 | 67% | 0.665 | S | S | * | * | | | trans | -139.9 | 88.5 | 173.9 | -171.5 | 9.2 | 0 | 0 | 0 | 110.2 | | |
| 844 | R | 46.3 | Very low | 46.2 | Very low | 226 Ų | 226 | 122.5 Ų | 122.5 | 85% | 0.853 | 66% | 0.658 | S | S | * | * | S | Bend | trans | -163.1 | -21.1 | 175.3 | -153.5 | 158.1 | 177.5 | 137.2 | -2.7 | 115.8 | | |
| 845 | S | 53.5 | Low | 47.3 | Very low | 79 Ų | 79 | 119.9 Ų | 119.9 | 55% | 0.552 | 65% | 0.652 | S | S | * | * | S | Bend | trans | -90.8 | -30.4 | -163.3 | -51.5 | 0 | 0 | 0 | 0 | 115.6 | | |
| 846 | L | 49.4 | Very low | 48.8 | Very low | 134 Ų | 134 | 118.6 Ų | 118.6 | 70% | 0.702 | 64% | 0.64 | S | S | * | * | H | α-helix | trans | -82.3 | -30.3 | -171.8 | -64.3 | 176.4 | 0 | 0 | 0 | 113.6 | A848 V849 L850 | L846-A848 VanDerWaalsContact C-N 3.31Å; L846-A848 PolarHBondContact O-N 3.3Å; L846-V849 PolarHBondContact O-N 3.34Å; L846-L850 HydrophobicContact CB-CD1 4.4Å; L846-L850 WeakPolarHBondContact O-CB 3.26Å; L846-L850 WeakPolarHBondContact O-CG 3.35Å; L846-L850 PolarHBondContact O-N 3.44Å; L846-L850 VanDerWaalsContact O-N 3.12Å |
| 847 | T | 52.6 | Low | 50.3 | Low | 88 Ų | 88 | 117 Ų | 117 | 54% | 0.54 | 63% | 0.629 | S | S | . | * | H | α-helix | trans | -63.6 | -32.8 | -171.4 | -33 | 0 | 0 | 0 | 0 | 113.2 | S851 | T847-S851 WeakPolarHBondContact O-CB 3.15Å; T847-S851 PolarHBondContact O-N 2.97Å; T847-S851 PolarHBondContact O-OG 3.43Å |
| 848 | A | 55.3 | Low | 52.3 | Low | 73 Ų | 73 | 115.6 Ų | 115.6 | 60% | 0.603 | 62% | 0.619 | S | S | * | * | H | α-helix | trans | -72.2 | -43.5 | -178.2 | 0 | 0 | 0 | 0 | 0 | 113 | L846 S851 | L846-A848 VanDerWaalsContact C-N 3.31Å; L846-A848 PolarHBondContact O-N 3.3Å; A848-S851 PolarHBondContact O-N 3.45Å |
| 849 | V | 53.9 | Low | 54.1 | Low | 104 Ų | 104 | 113.1 Ų | 113.1 | 63% | 0.63 | 61% | 0.608 | S | S | * | * | H | α-helix | trans | -72.6 | -42.2 | 178.9 | -177.9 | 0 | 0 | 0 | 0 | 110.4 | L846 S851 A852 E853 | L846-V849 PolarHBondContact O-N 3.34Å; V849-S851 VanDerWaalsContact C-N 3.27Å; V849-S851 PolarHBondContact O-N 2.85Å; V849-A852 PolarHBondContact O-N 2.79Å; V849-A852 VanDerWaalsContact O-N 3.12Å; V849-E853 PolarHBondContact O-N 2.76Å |
| 850 | L | 50.4 | Low | 55.8 | Low | 95 Ų | 95 | 110.7 Ų | 110.7 | 50% | 0.497 | 59% | 0.593 | S | S | . | * | H | α-helix | trans | -60.4 | -36.7 | 174.2 | -69.8 | 175.7 | 0 | 0 | 0 | 111.7 | L846 A852 E853 L854 | L846-L850 HydrophobicContact CB-CD1 4.4Å; L846-L850 WeakPolarHBondContact O-CB 3.26Å; L846-L850 WeakPolarHBondContact O-CG 3.35Å; L846-L850 PolarHBondContact O-N 3.44Å; L846-L850 VanDerWaalsContact O-N 3.12Å; L850-A852 VanDerWaalsContact C-N 3.28Å; L850-A852 PolarHBondContact O-N 3.22Å; L850-E853 PolarHBondContact O-N 3.34Å; L850-L854 HydrophobicContact CB-CD1 4.08Å; L850-L854 WeakPolarHBondContact O-CB 3.48Å; L850-L854 WeakPolarHBondContact O-CG 3.47Å; L850-L854 PolarHBondContact O-N 2.86Å |
| 851 | S | 51.2 | Low | 57.4 | Low | 61 Ų | 61 | 105.9 Ų | 105.9 | 43% | 0.427 | 57% | 0.572 | S | S | . | * | H | α-helix | trans | -59.2 | -36 | 175.2 | -63.4 | 0 | 0 | 0 | 0 | 113.1 | T847 A848 V849 N855 | T847-S851 WeakPolarHBondContact O-CB 3.15Å; T847-S851 PolarHBondContact O-N 2.97Å; T847-S851 PolarHBondContact O-OG 3.43Å; A848-S851 PolarHBondContact O-N 3.45Å; V849-S851 VanDerWaalsContact C-N 3.27Å; V849-S851 PolarHBondContact O-N 2.85Å; S851-N855 VanDerWaalsContact O-CB 3.3Å; S851-N855 WeakPolarHBondContact O-CB 3.31Å; S851-N855 PolarHBondContact O-N 3.36Å; S851-N855 PolarHBondContact O-ND2 2.92Å; S851-N855 VanDerWaalsContact O-ND2 3.15Å; S851-N855 PolarHBondContact O-OD1 2.86Å |
| 852 | A | 51.4 | Low | 59 | Low | 52 Ų | 52 | 98.4 Ų | 98.4 | 43% | 0.43 | 54% | 0.541 | S | S | . | . | H | α-helix | trans | -74.3 | -39.2 | 179.8 | 0 | 0 | 0 | 0 | 0 | 113.2 | V849 L850 | V849-A852 PolarHBondContact O-N 2.79Å; V849-A852 VanDerWaalsContact O-N 3.12Å; L850-A852 VanDerWaalsContact C-N 3.28Å; L850-A852 PolarHBondContact O-N 3.22Å |
| 853 | E | 54 | Low | 60.4 | Low | 96 Ų | 96 | 91.5 Ų | 91.5 | 45% | 0.449 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -81.1 | -38.3 | 179.4 | -70.7 | -59.6 | 107.4 | 0 | 0 | 112.9 | V849 L850 N855 K856 T857 | V849-E853 PolarHBondContact O-N 2.76Å; L850-E853 PolarHBondContact O-N 3.34Å; E853-N855 VanDerWaalsContact C-N 3.28Å; E853-N855 PolarHBondContact O-N 2.85Å; E853-K856 PolarHBondContact O-N 3.33Å; E853-K856 WeakPolarHBondContact OE1-CE 3.47Å; E853-K856 IonicContact OE1-NZ 2.65Å; E853-K856 PolarHBondContact OE1-NZ 2.85Å; E853-T857 PolarHBondContact O-N 2.86Å; E853-T857 VanDerWaalsContact O-N 3.1Å; E853-T857 PolarHBondContact O-OG1 3.27Å |
| 854 | L | 54.6 | Low | 62.1 | Low | 99 Ų | 99 | 90 Ų | 90 | 52% | 0.518 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -65.6 | -31.5 | 174.2 | -67.2 | 174.5 | 0 | 0 | 0 | 111.5 | L850 T857 S858 | L850-L854 HydrophobicContact CB-CD1 4.08Å; L850-L854 WeakPolarHBondContact O-CB 3.48Å; L850-L854 WeakPolarHBondContact O-CG 3.47Å; L850-L854 PolarHBondContact O-N 2.86Å; L854-T857 WeakPolarHBondContact CA-OG1 3.29Å; L854-T857 PolarHBondContact O-OG1 2.95Å; L854-S858 WeakPolarHBondContact O-CA 3.11Å; L854-S858 WeakPolarHBondContact O-CB 3.08Å; L854-S858 PolarHBondContact O-N 2.68Å |
| 855 | N | 60.2 | Low | 63.7 | Low | 111 Ų | 111 | 82.7 Ų | 82.7 | 59% | 0.594 | 47% | 0.466 | S | S | * | . | H | α-helix | trans | -64.7 | -39.7 | 173.5 | -78.7 | -11.4 | 0 | 0 | 0 | 112.5 | S851 E853 V859 | S851-N855 VanDerWaalsContact O-CB 3.3Å; S851-N855 WeakPolarHBondContact O-CB 3.31Å; S851-N855 PolarHBondContact O-N 3.36Å; S851-N855 PolarHBondContact O-ND2 2.92Å; S851-N855 VanDerWaalsContact O-ND2 3.15Å; S851-N855 PolarHBondContact O-OD1 2.86Å; E853-N855 VanDerWaalsContact C-N 3.28Å; E853-N855 PolarHBondContact O-N 2.85Å; N855-V859 VanDerWaalsContact O-CB 3.31Å; N855-V859 WeakPolarHBondContact O-CB 3.44Å; N855-V859 WeakPolarHBondContact O-CG2 3.43Å; N855-V859 PolarHBondContact O-N 3.46Å; N855-V859 VanDerWaalsContact O-N 3.12Å |
| 856 | K | 67.1 | Low | 64.8 | Low | 132 Ų | 132 | 87.9 Ų | 87.9 | 57% | 0.574 | 47% | 0.474 | S | S | * | . | H | α-helix | trans | -66.6 | -53 | 177.1 | -62.2 | 170.5 | -170.7 | 169.9 | 0 | 111 | E853 V859 V860 | E853-K856 PolarHBondContact O-N 3.33Å; E853-K856 WeakPolarHBondContact OE1-CE 3.47Å; E853-K856 IonicContact OE1-NZ 2.65Å; E853-K856 PolarHBondContact OE1-NZ 2.85Å; K856-V859 PolarHBondContact O-N 2.83Å; K856-V860 WeakPolarHBondContact O-CG2 3.33Å; K856-V860 PolarHBondContact O-N 2.8Å; K856-V860 VanDerWaalsContact O-N 3.1Å |
| 857 | T | 72 | Confident | 66.3 | Low | 70 Ų | 70 | 86.8 Ų | 86.8 | 43% | 0.429 | 47% | 0.468 | S | S | . | . | H | α-helix | trans | -65.6 | -46.6 | -177.8 | 46 | 0 | 0 | 0 | 0 | 111.4 | E853 L854 V859 V860 D861 | E853-T857 PolarHBondContact O-N 2.86Å; E853-T857 VanDerWaalsContact O-N 3.1Å; E853-T857 PolarHBondContact O-OG1 3.27Å; L854-T857 WeakPolarHBondContact CA-OG1 3.29Å; L854-T857 PolarHBondContact O-OG1 2.95Å; T857-V859 VanDerWaalsContact C-N 3.33Å; T857-V859 PolarHBondContact O-N 2.93Å; T857-V860 PolarHBondContact O-N 3.4Å; T857-V860 VanDerWaalsContact O-N 3.14Å; T857-D861 WeakPolarHBondContact O-CB 3.28Å; T857-D861 VanDerWaalsContact O-CG 3.27Å; T857-D861 PolarHBondContact O-N 2.81Å |
| 858 | S | 73.1 | Confident | 67.5 | Low | 68 Ų | 68 | 88 Ų | 88 | 48% | 0.476 | 47% | 0.47 | S | S | . | . | H | α-helix | trans | -63 | -34.3 | 177 | -175.4 | 0 | 0 | 0 | 0 | 113.2 | L854 L862 | L854-S858 WeakPolarHBondContact O-CA 3.11Å; L854-S858 WeakPolarHBondContact O-CB 3.08Å; L854-S858 PolarHBondContact O-N 2.68Å; S858-L862 VanDerWaalsContact O-CB 3.24Å; S858-L862 WeakPolarHBondContact O-CB 3.29Å; S858-L862 PolarHBondContact O-N 2.81Å |
| 859 | V | 74.6 | Confident | 68.8 | Low | 93 Ų | 93 | 93.5 Ų | 93.5 | 56% | 0.564 | 48% | 0.481 | S | S | * | . | H | α-helix | trans | -70.6 | -37 | 174.9 | 167.6 | 0 | 0 | 0 | 0 | 111.2 | N855 K856 T857 L862 L863 | N855-V859 VanDerWaalsContact O-CB 3.31Å; N855-V859 WeakPolarHBondContact O-CB 3.44Å; N855-V859 WeakPolarHBondContact O-CG2 3.43Å; N855-V859 PolarHBondContact O-N 3.46Å; N855-V859 VanDerWaalsContact O-N 3.12Å; K856-V859 PolarHBondContact O-N 2.83Å; T857-V859 VanDerWaalsContact C-N 3.33Å; T857-V859 PolarHBondContact O-N 2.93Å; V859-L862 WeakPolarHBondContact O-CB 3.15Å; V859-L862 PolarHBondContact O-N 3.47Å; V859-L863 WeakPolarHBondContact O-CB 3.41Å; V859-L863 PolarHBondContact O-N 3.39Å |
| 860 | V | 78 | Confident | 69.9 | Low | 75 Ų | 75 | 95.5 Ų | 95.5 | 46% | 0.455 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -66 | -45.7 | 172.8 | 172.1 | 0 | 0 | 0 | 0 | 110.9 | K856 T857 L862 L863 Y864 | K856-V860 WeakPolarHBondContact O-CG2 3.33Å; K856-V860 PolarHBondContact O-N 2.8Å; K856-V860 VanDerWaalsContact O-N 3.1Å; T857-V860 PolarHBondContact O-N 3.4Å; T857-V860 VanDerWaalsContact O-N 3.14Å; V860-L862 VanDerWaalsContact C-N 3.25Å; V860-L862 PolarHBondContact O-N 3.44Å; V860-L863 WeakPolarHBondContact O-CA 3.42Å; V860-L863 WeakPolarHBondContact O-CB 3.28Å; V860-L863 PolarHBondContact O-N 3.49Å; V860-Y864 HydrophobicContact CG1-CD2 3.74Å; V860-Y864 HydrophobicContact CG1-CE2 3.93Å; V860-Y864 WeakPolarHBondContact O-CD2 3.5Å; V860-Y864 PolarHBondContact O-N 3.45Å |
| 861 | D | 79.3 | Confident | 71.4 | Confident | 52 Ų | 52 | 91.1 Ų | 91.1 | 28% | 0.278 | 46% | 0.458 | S | S | . | . | H | α-helix | trans | -63.2 | -32.7 | 176.4 | -67.3 | -26 | 0 | 0 | 0 | 112.2 | T857 L863 W865 R866 | T857-D861 WeakPolarHBondContact O-CB 3.28Å; T857-D861 VanDerWaalsContact O-CG 3.27Å; T857-D861 PolarHBondContact O-N 2.81Å; D861-L863 VanDerWaalsContact C-N 3.33Å; D861-W865 PolarHBondContact O-N 3.08Å; D861-R866 PolarHBondContact O-N 3.03Å; D861-R866 WeakPolarHBondContact OD1-CD 3.26Å; D861-R866 IonicContact OD1-CZ 3.76Å; D861-R866 IonicContact OD1-NE 2.68Å; D861-R866 IonicContact OD1-NH1 3.46Å; D861-R866 PolarHBondContact OD1-NH1 3.35Å |
| 862 | L | 76.7 | Confident | 72.8 | Confident | 29 Ų | 29 | 89.4 Ų | 89.4 | 15% | 0.152 | 45% | 0.45 | C | S | . | . | H | α-helix | trans | -64 | -38.4 | 170.9 | -156.7 | 84.8 | 0 | 0 | 0 | 111.8 | S858 V859 V860 T871 V874 F1003 | S858-L862 VanDerWaalsContact O-CB 3.24Å; S858-L862 WeakPolarHBondContact O-CB 3.29Å; S858-L862 PolarHBondContact O-N 2.81Å; V859-L862 WeakPolarHBondContact O-CB 3.15Å; V859-L862 PolarHBondContact O-N 3.47Å; V860-L862 VanDerWaalsContact C-N 3.25Å; V860-L862 PolarHBondContact O-N 3.44Å; L862-T871 HydrophobicContact CD1-CG2 4.12Å; L862-T871 HydrophobicContact CG-CG2 4.33Å; L862-T871 WeakPolarHBondContact O-CB 3.1Å; L862-T871 WeakPolarHBondContact O-CG2 3.48Å; L862-V874 HydrophobicContact CD1-CB 4.01Å; L862-V874 HydrophobicContact CD1-CG2 4.02Å; L862-V874 HydrophobicContact CD2-CB 3.98Å; L862-V874 HydrophobicContact CD2-CG1 3.69Å; L862-V874 HydrophobicContact CG-CB 4.47Å; L862-F1003 HydrophobicContact CD2-CE1 3.77Å; L862-F1003 HydrophobicContact CD2-CZ 3.79Å; L862-F1003 HydrophobicContact CG-CE1 3.99Å |
| 863 | L | 76.4 | Confident | 74.2 | Confident | 33 Ų | 33 | 91.6 Ų | 91.6 | 17% | 0.173 | 46% | 0.458 | C | S | . | . | H | α-helix | trans | -79.4 | -32.8 | -176.5 | -147.2 | 76.2 | 0 | 0 | 0 | 113.5 | V859 V860 D861 W865 L1002 F1003 P1006 | V859-L863 WeakPolarHBondContact O-CB 3.41Å; V859-L863 PolarHBondContact O-N 3.39Å; V860-L863 WeakPolarHBondContact O-CA 3.42Å; V860-L863 WeakPolarHBondContact O-CB 3.28Å; V860-L863 PolarHBondContact O-N 3.49Å; D861-L863 VanDerWaalsContact C-N 3.33Å; L863-W865 VanDerWaalsContact C-N 3.28Å; L863-L1002 HydrophobicContact CD1-CD1 4.42Å; L863-L1002 HydrophobicContact CD1-CG 3.87Å; L863-L1002 WeakPolarHBondContact CD1-O 3.15Å; L863-L1002 HydrophobicContact CD2-CD1 4.04Å; L863-L1002 HydrophobicContact CD2-CG 4.4Å; L863-L1002 WeakPolarHBondContact CD2-O 3.43Å; L863-L1002 WeakPolarHBondContact CG-O 3.19Å; L863-F1003 HydrophobicContact CD1-CB 4.49Å; L863-F1003 HydrophobicContact CD1-CD1 3.83Å; L863-F1003 HydrophobicContact CD1-CD2 3.87Å; L863-F1003 HydrophobicContact CD1-CE1 3.95Å; L863-F1003 HydrophobicContact CD1-CE2 4Å; L863-F1003 HydrophobicContact CD1-CG 3.8Å; L863-F1003 HydrophobicContact CD1-CZ 4.04Å; L863-P1006 HydrophobicContact CD2-CG 3.87Å; L863-P1006 HydrophobicContact CG-CG 4.05Å |
| 864 | Y | 74.3 | Confident | 75.3 | Confident | 119 Ų | 119 | 90.4 Ų | 90.4 | 47% | 0.467 | 46% | 0.457 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -85.7 | 7.1 | 172.9 | -79.9 | -87.3 | 0 | 0 | 0 | 113.4 | V860 R866 P1006 | V860-Y864 HydrophobicContact CG1-CD2 3.74Å; V860-Y864 HydrophobicContact CG1-CE2 3.93Å; V860-Y864 WeakPolarHBondContact O-CD2 3.5Å; V860-Y864 PolarHBondContact O-N 3.45Å; Y864-R866 PolarHBondContact O-N 3.05Å; Y864-R866 VanDerWaalsContact O-N 3.12Å; Y864-P1006 HydrophobicContact CD1-CB 4.01Å; Y864-P1006 HydrophobicContact CE1-CB 3.89Å; Y864-P1006 HydrophobicContact CE2-CB 4.46Å; Y864-P1006 HydrophobicContact CG-CB 4.36Å |
| 865 | W | 78.6 | Confident | 76.5 | Confident | 74 Ų | 74 | 87.1 Ų | 87.1 | 28% | 0.28 | 44% | 0.438 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 56.8 | 26.6 | 175.6 | -74.6 | 66.9 | 0 | 0 | 0 | 115.6 | D861 L863 D867 I868 T871 F875 F1003 V1007 | D861-W865 PolarHBondContact O-N 3.08Å; L863-W865 VanDerWaalsContact C-N 3.28Å; W865-D867 VanDerWaalsContact C-N 3.33Å; W865-D867 PolarHBondContact O-N 2.88Å; W865-I868 HydrophobicContact CE3-CG2 4.17Å; W865-I868 HydrophobicContact CZ3-CG2 4.29Å; W865-I868 WeakPolarHBondContact O-CG1 3.34Å; W865-I868 PolarHBondContact O-N 3.44Å; W865-T871 VanDerWaalsContact CE3-OG1 3.3Å; W865-F875 HydrophobicContact CH2-CD1 4.1Å; W865-F875 HydrophobicContact CZ2-CB 4.49Å; W865-F875 AromaticContact CZ2-CD1 3.7Å; W865-F875 HydrophobicContact CZ2-CD1 3.7Å; W865-F875 HydrophobicContact CZ2-CE1 4.19Å; W865-F875 HydrophobicContact CZ2-CG 4.22Å; W865-F1003 PolarHBondContact NE1-O 2.88Å; W865-V1007 HydrophobicContact CB-CG2 4.05Å; W865-V1007 HydrophobicContact CG-CG2 3.76Å |
| 866 | R | 78.3 | Confident | 77.4 | Confident | 188 Ų | 188 | 83.4 Ų | 83.4 | 71% | 0.709 | 43% | 0.426 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.7 | -46.2 | -177.8 | -78 | 178 | 168.6 | -179.6 | -8.5 | 112.3 | D861 Y864 | D861-R866 PolarHBondContact O-N 3.03Å; D861-R866 WeakPolarHBondContact OD1-CD 3.26Å; D861-R866 IonicContact OD1-CZ 3.76Å; D861-R866 IonicContact OD1-NE 2.68Å; D861-R866 IonicContact OD1-NH1 3.46Å; D861-R866 PolarHBondContact OD1-NH1 3.35Å; Y864-R866 PolarHBondContact O-N 3.05Å; Y864-R866 VanDerWaalsContact O-N 3.12Å |
| 867 | D | 79.5 | Confident | 77.8 | Confident | 111 Ų | 111 | 79.8 Ų | 79.8 | 59% | 0.594 | 42% | 0.421 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -102.5 | 76.6 | 171.9 | -90.1 | -46.3 | 0 | 0 | 0 | 111.1 | W865 K869 K870 T871 | W865-D867 VanDerWaalsContact C-N 3.33Å; W865-D867 PolarHBondContact O-N 2.88Å; D867-K869 PolarHBondContact O-N 2.69Å; D867-K870 HydrophobicContact CB-CB 3.9Å; D867-K870 HydrophobicContact CB-CG 3.97Å; D867-K870 CarbonylContact O-C 3.6Å; D867-K870 WeakPolarHBondContact O-CA 3.29Å; D867-K870 PolarHBondContact O-N 3.35Å; D867-T871 VanDerWaalsContact O-CG2 3.26Å; D867-T871 WeakPolarHBondContact O-CG2 3.43Å; D867-T871 PolarHBondContact O-N 3.4Å; D867-T871 PolarHBondContact O-OG1 2.81Å |
| 868 | I | 79.4 | Confident | 78.1 | Confident | 112 Ų | 112 | 78.3 Ų | 78.3 | 57% | 0.574 | 41% | 0.414 | S | S | * | . | H | α-helix | trans | -44.3 | -36.4 | -178.4 | -58.5 | 173.6 | 0 | 0 | 0 | 113.2 | W865 T871 G872 | W865-I868 HydrophobicContact CE3-CG2 4.17Å; W865-I868 HydrophobicContact CZ3-CG2 4.29Å; W865-I868 WeakPolarHBondContact O-CG1 3.34Å; W865-I868 PolarHBondContact O-N 3.44Å; I868-T871 WeakPolarHBondContact CA-OG1 3.32Å; I868-G872 WeakPolarHBondContact O-CA 3.23Å; I868-G872 PolarHBondContact O-N 2.78Å |
| 869 | K | 80.9 | Confident | 78.4 | Confident | 190 Ų | 190 | 77.1 Ų | 77.1 | 83% | 0.826 | 40% | 0.402 | S | S | * | . | H | α-helix | trans | -69 | -27.5 | 177.9 | -64.7 | 178.7 | -179.8 | 175.4 | 0 | 114.4 | D867 V873 | D867-K869 PolarHBondContact O-N 2.69Å; K869-V873 VanDerWaalsContact O-CG2 3.26Å; K869-V873 WeakPolarHBondContact O-CG2 3.3Å |
| 870 | K | 77.8 | Confident | 78.5 | Confident | 146 Ų | 146 | 79.2 Ų | 79.2 | 64% | 0.635 | 40% | 0.403 | S | S | * | . | H | α-helix | trans | -94.8 | -48.6 | 176.7 | -62.5 | -75.5 | -171.2 | 164.8 | 0 | 110.3 | D867 G872 V873 V874 | D867-K870 HydrophobicContact CB-CB 3.9Å; D867-K870 HydrophobicContact CB-CG 3.97Å; D867-K870 CarbonylContact O-C 3.6Å; D867-K870 WeakPolarHBondContact O-CA 3.29Å; D867-K870 PolarHBondContact O-N 3.35Å; K870-G872 PolarHBondContact O-N 3.39Å; K870-V873 PolarHBondContact O-N 2.67Å; K870-V874 PolarHBondContact O-N 2.95Å |
| 871 | T | 82.1 | Confident | 78.3 | Confident | 2 Ų | 2 | 81.4 Ų | 81.4 | 1% | 0.012 | 41% | 0.412 | C | S | . | . | H | α-helix | trans | -61.9 | -46.5 | -178.7 | 73 | 0 | 0 | 0 | 0 | 110.8 | L862 W865 D867 I868 V873 V874 F875 | L862-T871 HydrophobicContact CD1-CG2 4.12Å; L862-T871 HydrophobicContact CG-CG2 4.33Å; L862-T871 WeakPolarHBondContact O-CB 3.1Å; L862-T871 WeakPolarHBondContact O-CG2 3.48Å; W865-T871 VanDerWaalsContact CE3-OG1 3.3Å; D867-T871 VanDerWaalsContact O-CG2 3.26Å; D867-T871 WeakPolarHBondContact O-CG2 3.43Å; D867-T871 PolarHBondContact O-N 3.4Å; D867-T871 PolarHBondContact O-OG1 2.81Å; I868-T871 WeakPolarHBondContact CA-OG1 3.32Å; T871-V873 VanDerWaalsContact C-N 3.28Å; T871-V873 PolarHBondContact O-N 3.05Å; T871-V874 PolarHBondContact O-N 2.99Å; T871-F875 WeakPolarHBondContact O-CB 3.14Å; T871-F875 PolarHBondContact O-N 3.31Å |
| 872 | G | 80.1 | Confident | 77.9 | Confident | 25 Ų | 25 | 80.3 Ų | 80.3 | 26% | 0.258 | 41% | 0.406 | S | S | . | . | H | α-helix | trans | -63.9 | -28.8 | 176.9 | 0 | 0 | 0 | 0 | 0 | 113.8 | I868 K870 G876 | I868-G872 WeakPolarHBondContact O-CA 3.23Å; I868-G872 PolarHBondContact O-N 2.78Å; K870-G872 PolarHBondContact O-N 3.39Å; G872-G876 VanDerWaalsContact O-CA 3.27Å; G872-G876 WeakPolarHBondContact O-CA 3.26Å; G872-G876 PolarHBondContact O-N 3.31Å |
| 873 | V | 80.6 | Confident | 77.4 | Confident | 98 Ų | 98 | 82.7 Ų | 82.7 | 59% | 0.594 | 42% | 0.419 | S | S | * | . | H | α-helix | trans | -77.2 | -42.9 | 174.9 | 170.2 | 0 | 0 | 0 | 0 | 111.4 | K869 K870 T871 A877 | K869-V873 VanDerWaalsContact O-CG2 3.26Å; K869-V873 WeakPolarHBondContact O-CG2 3.3Å; K870-V873 PolarHBondContact O-N 2.67Å; T871-V873 VanDerWaalsContact C-N 3.28Å; T871-V873 PolarHBondContact O-N 3.05Å; V873-A877 WeakPolarHBondContact O-CB 3.47Å; V873-A877 PolarHBondContact O-N 3.39Å |
| 874 | V | 78.5 | Confident | 76.9 | Confident | 71 Ų | 71 | 83.1 Ų | 83.1 | 43% | 0.43 | 42% | 0.424 | S | S | . | . | H | α-helix | trans | -73.5 | -43.1 | 178.8 | -178.2 | 0 | 0 | 0 | 0 | 111.4 | L862 K870 T871 A877 S878 | L862-V874 HydrophobicContact CD1-CB 4.01Å; L862-V874 HydrophobicContact CD1-CG2 4.02Å; L862-V874 HydrophobicContact CD2-CB 3.98Å; L862-V874 HydrophobicContact CD2-CG1 3.69Å; L862-V874 HydrophobicContact CG-CB 4.47Å; K870-V874 PolarHBondContact O-N 2.95Å; T871-V874 PolarHBondContact O-N 2.99Å; V874-A877 PolarHBondContact O-N 3.21Å; V874-S878 WeakPolarHBondContact O-CB 3.25Å; V874-S878 PolarHBondContact O-N 3.06Å |
| 875 | F | 79.5 | Confident | 76.4 | Confident | 30 Ų | 30 | 82.1 Ų | 82.1 | 13% | 0.132 | 43% | 0.427 | C | S | . | . | H | α-helix | trans | -61.3 | -46.7 | 171.2 | 176.8 | -112.1 | 0 | 0 | 0 | 110.5 | W865 T871 A877 S878 L879 L999 I1000 F1003 | W865-F875 HydrophobicContact CH2-CD1 4.1Å; W865-F875 HydrophobicContact CZ2-CB 4.49Å; W865-F875 AromaticContact CZ2-CD1 3.7Å; W865-F875 HydrophobicContact CZ2-CD1 3.7Å; W865-F875 HydrophobicContact CZ2-CE1 4.19Å; W865-F875 HydrophobicContact CZ2-CG 4.22Å; T871-F875 WeakPolarHBondContact O-CB 3.14Å; T871-F875 PolarHBondContact O-N 3.31Å; F875-A877 PolarHBondContact O-N 2.92Å; F875-S878 PolarHBondContact O-N 3.15Å; F875-L879 HydrophobicContact CE1-CD2 3.98Å; F875-L879 HydrophobicContact CZ-CD2 3.95Å; F875-L879 WeakPolarHBondContact O-CB 3.22Å; F875-L879 PolarHBondContact O-N 2.79Å; F875-L999 HydrophobicContact CE2-CG 4.41Å; F875-I1000 HydrophobicContact CZ-CG1 4.18Å; F875-F1003 HydrophobicContact CB-CD1 4.04Å; F875-F1003 HydrophobicContact CB-CE1 4.14Å; F875-F1003 HydrophobicContact CB-CG 4.45Å; F875-F1003 HydrophobicContact CD2-CB 3.58Å; F875-F1003 AromaticContact CD2-CD1 3.84Å; F875-F1003 HydrophobicContact CD2-CD1 3.84Å; F875-F1003 AromaticContact CD2-CD2 3.58Å; F875-F1003 HydrophobicContact CD2-CD2 3.58Å; F875-F1003 HydrophobicContact CD2-CE1 4.4Å; F875-F1003 HydrophobicContact CD2-CE2 4.18Å; F875-F1003 AromaticContact CD2-CG 3.38Å; F875-F1003 HydrophobicContact CD2-CG 3.38Å; F875-F1003 HydrophobicContact CE2-CB 3.59Å; F875-F1003 HydrophobicContact CE2-CD2 4.02Å; F875-F1003 AromaticContact CE2-CG 3.88Å; F875-F1003 HydrophobicContact CE2-CG 3.88Å; F875-F1003 HydrophobicContact CG-CB 4.34Å; F875-F1003 HydrophobicContact CG-CD1 4.19Å; F875-F1003 HydrophobicContact CG-CG 4.15Å; F875-F1003 HydrophobicContact CZ-CB 4.36Å |
| 876 | G | 77.7 | Confident | 75.7 | Confident | 33 Ų | 33 | 79.7 Ų | 79.7 | 34% | 0.34 | 42% | 0.42 | S | S | . | . | H | α-helix | trans | -60.2 | -43.2 | 176.8 | 0 | 0 | 0 | 0 | 0 | 113.2 | G872 F880 | G872-G876 VanDerWaalsContact O-CA 3.27Å; G872-G876 WeakPolarHBondContact O-CA 3.26Å; G872-G876 PolarHBondContact O-N 3.31Å; G876-F880 WeakPolarHBondContact O-CA 3.49Å; G876-F880 WeakPolarHBondContact O-CB 3.41Å; G876-F880 PolarHBondContact O-N 3.15Å |
| 877 | A | 75.9 | Confident | 74.8 | Confident | 57 Ų | 57 | 75.9 Ų | 75.9 | 47% | 0.471 | 42% | 0.417 | S | S | . | . | H | α-helix | trans | -72 | -39.1 | 178 | 0 | 0 | 0 | 0 | 0 | 112.8 | V873 V874 F875 F880 L881 | V873-A877 WeakPolarHBondContact O-CB 3.47Å; V873-A877 PolarHBondContact O-N 3.39Å; V874-A877 PolarHBondContact O-N 3.21Å; F875-A877 PolarHBondContact O-N 2.92Å; A877-F880 PolarHBondContact O-N 3.19Å; A877-L881 VanDerWaalsContact O-CB 3.3Å; A877-L881 WeakPolarHBondContact O-CB 3.41Å; A877-L881 PolarHBondContact O-N 2.94Å |
| 878 | S | 79.5 | Confident | 73.6 | Confident | 39 Ų | 39 | 77.4 Ų | 77.4 | 27% | 0.273 | 42% | 0.419 | S | S | . | . | H | α-helix | trans | -67.4 | -46.1 | 175.2 | -174.8 | 0 | 0 | 0 | 0 | 111.2 | V874 F875 F880 L881 L882 L999 | V874-S878 WeakPolarHBondContact O-CB 3.25Å; V874-S878 PolarHBondContact O-N 3.06Å; F875-S878 PolarHBondContact O-N 3.15Å; S878-F880 VanDerWaalsContact C-N 3.34Å; S878-F880 PolarHBondContact O-N 3.43Å; S878-L881 PolarHBondContact O-N 3.03Å; S878-L882 WeakPolarHBondContact O-CD1 3.44Å; S878-L882 PolarHBondContact O-N 3.09Å; S878-L999 WeakPolarHBondContact OG-CD2 3.41Å |
| 879 | L | 78.7 | Confident | 72.8 | Confident | 42 Ų | 42 | 72.9 Ų | 72.9 | 22% | 0.22 | 40% | 0.397 | C | S | . | . | H | α-helix | trans | -63.3 | -39.4 | 173.4 | -176.8 | 62.9 | 0 | 0 | 0 | 111.2 | F875 L883 I996 L999 I1000 | F875-L879 HydrophobicContact CE1-CD2 3.98Å; F875-L879 HydrophobicContact CZ-CD2 3.95Å; F875-L879 WeakPolarHBondContact O-CB 3.22Å; F875-L879 PolarHBondContact O-N 2.79Å; L879-L883 WeakPolarHBondContact O-CA 3.11Å; L879-L883 WeakPolarHBondContact O-CB 3.35Å; L879-L883 PolarHBondContact O-N 2.73Å; L879-I996 HydrophobicContact CD1-CG2 3.92Å; L879-L999 HydrophobicContact CB-CD2 4.41Å; L879-I1000 HydrophobicContact CD1-CD1 4.23Å; L879-I1000 HydrophobicContact CD1-CG1 4.08Å |
| 880 | F | 77.1 | Confident | 71.7 | Confident | 137 Ų | 137 | 67.6 Ų | 67.6 | 60% | 0.601 | 38% | 0.377 | S | S | * | . | H | α-helix | trans | -67.4 | -35 | 174.4 | 179.7 | -96 | 0 | 0 | 0 | 112.4 | G876 A877 S878 S884 | G876-F880 WeakPolarHBondContact O-CA 3.49Å; G876-F880 WeakPolarHBondContact O-CB 3.41Å; G876-F880 PolarHBondContact O-N 3.15Å; A877-F880 PolarHBondContact O-N 3.19Å; S878-F880 VanDerWaalsContact C-N 3.34Å; S878-F880 PolarHBondContact O-N 3.43Å; F880-S884 WeakPolarHBondContact O-CB 3.42Å; F880-S884 PolarHBondContact O-N 2.96Å; F880-S884 PolarHBondContact O-OG 2.79Å |
| 881 | L | 73.7 | Confident | 70.9 | Confident | 121 Ų | 121 | 63 Ų | 63 | 63% | 0.634 | 36% | 0.361 | S | S | * | . | H | α-helix | trans | -68.1 | -45.9 | 174.7 | -179.5 | 62.8 | 0 | 0 | 0 | 111.2 | A877 S878 S884 L885 | A877-L881 VanDerWaalsContact O-CB 3.3Å; A877-L881 WeakPolarHBondContact O-CB 3.41Å; A877-L881 PolarHBondContact O-N 2.94Å; S878-L881 PolarHBondContact O-N 3.03Å; L881-S884 PolarHBondContact O-N 3.43Å; L881-L885 PolarHBondContact O-N 3.44Å |
| 882 | L | 70.7 | Confident | 70.1 | Confident | 29 Ų | 29 | 63.7 Ų | 63.7 | 15% | 0.152 | 37% | 0.366 | C | S | . | . | H | α-helix | trans | -64.6 | -45.3 | 173.7 | -91.7 | 69.6 | 0 | 0 | 0 | 111.4 | S878 S884 L885 T886 L995 I996 L999 | S878-L882 WeakPolarHBondContact O-CD1 3.44Å; S878-L882 PolarHBondContact O-N 3.09Å; L882-S884 VanDerWaalsContact C-N 3.31Å; L882-S884 PolarHBondContact O-N 3.07Å; L882-L885 CarbonylContact O-C 3.45Å; L882-L885 WeakPolarHBondContact O-CA 3.42Å; L882-L885 WeakPolarHBondContact O-CB 3.44Å; L882-L885 PolarHBondContact O-N 3.36Å; L882-T886 WeakPolarHBondContact O-CG2 3.11Å; L882-T886 PolarHBondContact O-N 2.68Å; L882-L995 HydrophobicContact CD2-CD2 3.93Å; L882-L995 HydrophobicContact CD2-CG 3.81Å; L882-L995 HydrophobicContact CG-CD2 4.35Å; L882-I996 HydrophobicContact CB-CG1 4.48Å; L882-L999 HydrophobicContact CD1-CD2 4.47Å; L882-L999 HydrophobicContact CD2-CB 4.27Å; L882-L999 HydrophobicContact CD2-CD2 3.91Å |
| 883 | L | 66.4 | Low | 69.3 | Low | 80 Ų | 80 | 65.8 Ų | 65.8 | 42% | 0.419 | 37% | 0.374 | S | S | . | . | H | α-helix | trans | -62.4 | -39.6 | 177.2 | -174.8 | 69.1 | 0 | 0 | 0 | 110.6 | L879 L885 T886 V887 | L879-L883 WeakPolarHBondContact O-CA 3.11Å; L879-L883 WeakPolarHBondContact O-CB 3.35Å; L879-L883 PolarHBondContact O-N 2.73Å; L883-L885 VanDerWaalsContact C-N 3.34Å; L883-L885 PolarHBondContact O-N 2.84Å; L883-T886 WeakPolarHBondContact CA-OG1 3.42Å; L883-T886 CarbonylContact O-C 3.51Å; L883-T886 PolarHBondContact O-N 2.73Å; L883-T886 PolarHBondContact O-OG1 3.22Å; L883-V887 HydrophobicContact CD1-CG2 3.89Å; L883-V887 HydrophobicContact CG-CG2 4.05Å; L883-V887 WeakPolarHBondContact O-CB 3.42Å; L883-V887 WeakPolarHBondContact O-CG2 3.48Å; L883-V887 PolarHBondContact O-N 3.04Å |
| 884 | S | 65.6 | Low | 68.6 | Low | 42 Ų | 42 | 64.7 Ų | 64.7 | 29% | 0.294 | 37% | 0.367 | S | S | . | . | H | α-helix | trans | -60.1 | -44 | 170.6 | -64.3 | 0 | 0 | 0 | 0 | 110.8 | F880 L881 L882 T886 V887 F888 | F880-S884 WeakPolarHBondContact O-CB 3.42Å; F880-S884 PolarHBondContact O-N 2.96Å; F880-S884 PolarHBondContact O-OG 2.79Å; L881-S884 PolarHBondContact O-N 3.43Å; L882-S884 VanDerWaalsContact C-N 3.31Å; L882-S884 PolarHBondContact O-N 3.07Å; S884-T886 PolarHBondContact O-N 3.14Å; S884-V887 PolarHBondContact O-N 3.14Å; S884-F888 VanDerWaalsContact O-CA 3.26Å; S884-F888 WeakPolarHBondContact O-CA 3.43Å; S884-F888 WeakPolarHBondContact O-CB 3.49Å; S884-F888 PolarHBondContact O-N 2.8Å |
| 885 | L | 63.2 | Low | 68.2 | Low | 98 Ų | 98 | 61.3 Ų | 61.3 | 51% | 0.513 | 35% | 0.347 | S | S | . | . | H | α-helix | trans | -65.9 | -16.6 | 175.2 | -157.2 | 68.4 | 0 | 0 | 0 | 113.7 | L881 L882 L883 L992 | L881-L885 PolarHBondContact O-N 3.44Å; L882-L885 CarbonylContact O-C 3.45Å; L882-L885 WeakPolarHBondContact O-CA 3.42Å; L882-L885 WeakPolarHBondContact O-CB 3.44Å; L882-L885 PolarHBondContact O-N 3.36Å; L883-L885 VanDerWaalsContact C-N 3.34Å; L883-L885 PolarHBondContact O-N 2.84Å; L885-L992 HydrophobicContact CB-CD2 4.47Å; L885-L992 HydrophobicContact CG-CD2 4.36Å; L885-L992 WeakPolarHBondContact O-CD2 3.15Å |
| 886 | T | 65.2 | Low | 67.6 | Low | 22 Ų | 22 | 66.3 Ų | 66.3 | 14% | 0.135 | 37% | 0.366 | C | S | . | . | H | α-helix | trans | -95.6 | -40.9 | 176.4 | 73.4 | 0 | 0 | 0 | 0 | 113.3 | L882 L883 S884 F989 L992 I996 | L882-T886 WeakPolarHBondContact O-CG2 3.11Å; L882-T886 PolarHBondContact O-N 2.68Å; L883-T886 WeakPolarHBondContact CA-OG1 3.42Å; L883-T886 CarbonylContact O-C 3.51Å; L883-T886 PolarHBondContact O-N 2.73Å; L883-T886 PolarHBondContact O-OG1 3.22Å; S884-T886 PolarHBondContact O-N 3.14Å; T886-F989 WeakPolarHBondContact O-CE1 3.08Å; T886-L992 HydrophobicContact CG2-CB 4.2Å; T886-L992 HydrophobicContact CG2-CD2 3.46Å; T886-L992 VanDerWaalsContact CG2-CD2 3.46Å; T886-L992 HydrophobicContact CG2-CG 3.54Å; T886-I996 HydrophobicContact CG2-CD1 3.4Å; T886-I996 VanDerWaalsContact CG2-CD1 3.4Å; T886-I996 HydrophobicContact CG2-CG1 4.07Å |
| 887 | V | 58.9 | Low | 67.5 | Low | 109 Ų | 109 | 69.3 Ų | 69.3 | 66% | 0.661 | 37% | 0.374 | S | S | * | . | H | α-helix | trans | -86.4 | -44 | -176.2 | 174.6 | 0 | 0 | 0 | 0 | 110.3 | L883 S884 S889 | L883-V887 HydrophobicContact CD1-CG2 3.89Å; L883-V887 HydrophobicContact CG-CG2 4.05Å; L883-V887 WeakPolarHBondContact O-CB 3.42Å; L883-V887 WeakPolarHBondContact O-CG2 3.48Å; L883-V887 PolarHBondContact O-N 3.04Å; S884-V887 PolarHBondContact O-N 3.14Å; V887-S889 PolarHBondContact O-N 2.78Å |
| 888 | F | 54.7 | Low | 67.2 | Low | 142 Ų | 142 | 67.2 Ų | 67.2 | 62% | 0.623 | 36% | 0.356 | S | S | * | . | S | Bend | trans | -76.8 | 79.8 | 163.7 | -160.1 | -126.8 | 0 | 0 | 0 | 107.5 | S884 I890 | S884-F888 VanDerWaalsContact O-CA 3.26Å; S884-F888 WeakPolarHBondContact O-CA 3.43Å; S884-F888 WeakPolarHBondContact O-CB 3.49Å; S884-F888 PolarHBondContact O-N 2.8Å; F888-I890 HydrophobicContact CD1-CD1 3.61Å; F888-I890 HydrophobicContact CD1-CG1 3.38Å; F888-I890 HydrophobicContact CE1-CD1 3.75Å; F888-I890 HydrophobicContact CE1-CG1 3.55Å; F888-I890 HydrophobicContact CG-CG1 4.21Å; F888-I890 HydrophobicContact CZ-CG1 4.48Å; F888-I890 PolarHBondContact O-N 3.23Å |
| 889 | S | 60.9 | Low | 66.9 | Low | 18 Ų | 18 | 67.5 Ų | 67.5 | 13% | 0.126 | 35% | 0.354 | C | S | . | . | | | trans | -69.4 | 56 | -176.7 | -166 | 0 | 0 | 0 | 0 | 111.6 | V887 V891 S892 V893 F989 | V887-S889 PolarHBondContact O-N 2.78Å; S889-V891 PolarHBondContact O-N 3.41Å; S889-V891 VanDerWaalsContact O-N 3.08Å; S889-S892 WeakPolarHBondContact CB-OG 3.19Å; S889-S892 PolarHBondContact O-N 3.45Å; S889-S892 PolarHBondContact O-OG 2.92Å; S889-S892 PolarHBondContact OG-OG 2.73Å; S889-V893 WeakPolarHBondContact O-CB 3.34Å; S889-V893 WeakPolarHBondContact O-CG2 3.37Å; S889-V893 PolarHBondContact O-N 3.26Å; S889-F989 WeakPolarHBondContact OG-CE2 3.26Å; S889-F989 WeakPolarHBondContact OG-CZ 3.15Å |
| 890 | I | 59.5 | Low | 66.6 | Low | 78 Ų | 78 | 68.1 Ų | 68.1 | 40% | 0.4 | 37% | 0.365 | S | S | . | . | H | α-helix | trans | -48.8 | -39.3 | 177.2 | -64.5 | 178 | 0 | 0 | 0 | 109.9 | F888 S892 T894 | F888-I890 HydrophobicContact CD1-CD1 3.61Å; F888-I890 HydrophobicContact CD1-CG1 3.38Å; F888-I890 HydrophobicContact CE1-CD1 3.75Å; F888-I890 HydrophobicContact CE1-CG1 3.55Å; F888-I890 HydrophobicContact CG-CG1 4.21Å; F888-I890 HydrophobicContact CZ-CG1 4.48Å; F888-I890 PolarHBondContact O-N 3.23Å; I890-S892 PolarHBondContact O-N 2.96Å; I890-T894 VanDerWaalsContact CG2-OG1 3.25Å; I890-T894 WeakPolarHBondContact CG2-OG1 3.45Å; I890-T894 WeakPolarHBondContact O-CA 3.34Å; I890-T894 WeakPolarHBondContact O-CB 3.16Å; I890-T894 PolarHBondContact O-N 3.13Å; I890-T894 PolarHBondContact O-OG1 3.36Å |
| 891 | V | 60.9 | Low | 66.3 | Low | 50 Ų | 50 | 66.2 Ų | 66.2 | 30% | 0.303 | 36% | 0.361 | S | S | . | . | H | α-helix | trans | -51.7 | -53.2 | 175.2 | 173 | 0 | 0 | 0 | 0 | 112 | S889 A895 F982 | S889-V891 PolarHBondContact O-N 3.41Å; S889-V891 VanDerWaalsContact O-N 3.08Å; V891-A895 VanDerWaalsContact O-CB 3.32Å; V891-A895 WeakPolarHBondContact O-CB 3.49Å; V891-A895 PolarHBondContact O-N 2.9Å; V891-F982 HydrophobicContact CB-CE1 4.19Å; V891-F982 HydrophobicContact CG1-CD1 3.91Å; V891-F982 HydrophobicContact CG1-CE1 3.59Å; V891-F982 HydrophobicContact CG1-CZ 3.96Å; V891-F982 WeakPolarHBondContact O-CD1 3.32Å |
| 892 | S | 65.3 | Low | 66.2 | Low | 17 Ų | 17 | 60.6 Ų | 60.6 | 12% | 0.119 | 33% | 0.332 | C | S | . | . | H | α-helix | trans | -81.1 | -42.5 | 178.8 | 72.7 | 0 | 0 | 0 | 0 | 112.5 | S889 I890 T894 A895 Y896 | S889-S892 WeakPolarHBondContact CB-OG 3.19Å; S889-S892 PolarHBondContact O-N 3.45Å; S889-S892 PolarHBondContact O-OG 2.92Å; S889-S892 PolarHBondContact OG-OG 2.73Å; I890-S892 PolarHBondContact O-N 2.96Å; S892-T894 PolarHBondContact O-N 2.74Å; S892-A895 CarbonylContact O-C 3.4Å; S892-A895 WeakPolarHBondContact O-CA 3.37Å; S892-A895 WeakPolarHBondContact O-CB 3.46Å; S892-A895 PolarHBondContact O-N 3.47Å; S892-A895 VanDerWaalsContact O-N 3.13Å; S892-Y896 WeakPolarHBondContact O-CD2 3.39Å; S892-Y896 PolarHBondContact O-N 3.12Å |
| 893 | V | 62.6 | Low | 66.3 | Low | 68 Ų | 68 | 62.5 Ų | 62.5 | 41% | 0.412 | 35% | 0.347 | S | S | . | . | H | α-helix | trans | -66 | -38.9 | -176.7 | 174.6 | 0 | 0 | 0 | 0 | 111.3 | S889 Y896 I897 | S889-V893 WeakPolarHBondContact O-CB 3.34Å; S889-V893 WeakPolarHBondContact O-CG2 3.37Å; S889-V893 PolarHBondContact O-N 3.26Å; V893-Y896 PolarHBondContact O-N 2.75Å; V893-I897 HydrophobicContact CG1-CD1 3.88Å; V893-I897 WeakPolarHBondContact O-CB 3.41Å; V893-I897 WeakPolarHBondContact O-CG1 3.26Å; V893-I897 PolarHBondContact O-N 2.8Å |
| 894 | T | 66.2 | Low | 66.6 | Low | 75 Ų | 75 | 63.3 Ų | 63.3 | 46% | 0.46 | 36% | 0.355 | S | S | . | . | H | α-helix | trans | -71.9 | -34.8 | 173.4 | -49.4 | 0 | 0 | 0 | 0 | 110.8 | I890 S892 A898 | I890-T894 VanDerWaalsContact CG2-OG1 3.25Å; I890-T894 WeakPolarHBondContact CG2-OG1 3.45Å; I890-T894 WeakPolarHBondContact O-CA 3.34Å; I890-T894 WeakPolarHBondContact O-CB 3.16Å; I890-T894 PolarHBondContact O-N 3.13Å; I890-T894 PolarHBondContact O-OG1 3.36Å; S892-T894 PolarHBondContact O-N 2.74Å; T894-A898 WeakPolarHBondContact O-CB 3.38Å; T894-A898 PolarHBondContact O-N 3.46Å |
| 895 | A | 70.2 | Confident | 66.8 | Low | 1 Ų | 1 | 62.5 Ų | 62.5 | 1% | 0.008 | 35% | 0.348 | C | S | . | . | H | α-helix | trans | -65.3 | -37.2 | 170.9 | 0 | 0 | 0 | 0 | 0 | 112.3 | V891 S892 L899 M979 F982 | V891-A895 VanDerWaalsContact O-CB 3.32Å; V891-A895 WeakPolarHBondContact O-CB 3.49Å; V891-A895 PolarHBondContact O-N 2.9Å; S892-A895 CarbonylContact O-C 3.4Å; S892-A895 WeakPolarHBondContact O-CA 3.37Å; S892-A895 WeakPolarHBondContact O-CB 3.46Å; S892-A895 PolarHBondContact O-N 3.47Å; S892-A895 VanDerWaalsContact O-N 3.13Å; A895-L899 VanDerWaalsContact O-CB 3.23Å; A895-L899 WeakPolarHBondContact O-CB 3Å; A895-L899 WeakPolarHBondContact O-CD1 3.4Å; A895-L899 WeakPolarHBondContact O-CG 3.4Å; A895-L899 PolarHBondContact O-N 3.2Å; A895-M979 HydrophobicContact CB-SD 3.98Å; A895-F982 HydrophobicContact CB-CD1 4.16Å |
| 896 | Y | 67.6 | Low | 67.2 | Low | 135 Ų | 135 | 59.4 Ų | 59.4 | 53% | 0.529 | 33% | 0.332 | S | S | . | . | H | α-helix | trans | -72.1 | -39.7 | 175.1 | -74.9 | -57.9 | 0 | 0 | 0 | 112.3 | S892 V893 L899 A900 T983 | S892-Y896 WeakPolarHBondContact O-CD2 3.39Å; S892-Y896 PolarHBondContact O-N 3.12Å; V893-Y896 PolarHBondContact O-N 2.75Å; Y896-L899 PolarHBondContact O-N 3.2Å; Y896-A900 VanDerWaalsContact O-CB 3.26Å; Y896-A900 WeakPolarHBondContact O-CB 3.4Å; Y896-A900 PolarHBondContact O-N 2.72Å; Y896-T983 HydrophobicContact CE1-CG2 3.89Å; Y896-T983 HydrophobicContact CE2-CG2 4.21Å; Y896-T983 VanDerWaalsContact OH-CG2 3.26Å; Y896-T983 WeakPolarHBondContact OH-CG2 3.4Å |
| 897 | I | 75.2 | Confident | 67.7 | Low | 96 Ų | 96 | 61.4 Ų | 61.4 | 49% | 0.492 | 35% | 0.347 | S | S | . | . | H | α-helix | trans | -64.1 | -42.8 | 171.8 | -69.5 | 164.7 | 0 | 0 | 0 | 110 | V893 A900 L901 | V893-I897 HydrophobicContact CG1-CD1 3.88Å; V893-I897 WeakPolarHBondContact O-CB 3.41Å; V893-I897 WeakPolarHBondContact O-CG1 3.26Å; V893-I897 PolarHBondContact O-N 2.8Å; I897-A900 PolarHBondContact O-N 3.04Å; I897-L901 HydrophobicContact CG2-CD1 3.98Å; I897-L901 HydrophobicContact CG2-CG 4.47Å; I897-L901 WeakPolarHBondContact O-CB 3.27Å; I897-L901 VanDerWaalsContact O-CG 3.29Å; I897-L901 WeakPolarHBondContact O-CG 3.38Å; I897-L901 PolarHBondContact O-N 3.29Å |
| 898 | A | 68.7 | Low | 68.3 | Low | 12 Ų | 12 | 60.5 Ų | 60.5 | 10% | 0.099 | 33% | 0.334 | C | S | . | . | H | α-helix | trans | -63 | -46.7 | 173.7 | 0 | 0 | 0 | 0 | 0 | 111.4 | T894 A900 L901 L902 F964 M979 | T894-A898 WeakPolarHBondContact O-CB 3.38Å; T894-A898 PolarHBondContact O-N 3.46Å; A898-A900 VanDerWaalsContact C-N 3.3Å; A898-A900 PolarHBondContact O-N 2.98Å; A898-L901 PolarHBondContact O-N 2.84Å; A898-L902 WeakPolarHBondContact O-CB 3.07Å; A898-L902 PolarHBondContact O-N 2.79Å; A898-F964 HydrophobicContact CB-CZ 3.92Å; A898-F964 WeakPolarHBondContact O-CE1 3.25Å; A898-M979 HydrophobicContact CB-SD 4.16Å |
| 899 | L | 73.1 | Confident | 69.1 | Low | 45 Ų | 45 | 54.8 Ų | 54.8 | 24% | 0.236 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -62.7 | -35.8 | 175.8 | -77.3 | 166.6 | 0 | 0 | 0 | 112 | A895 Y896 S903 M979 | A895-L899 VanDerWaalsContact O-CB 3.23Å; A895-L899 WeakPolarHBondContact O-CB 3Å; A895-L899 WeakPolarHBondContact O-CD1 3.4Å; A895-L899 WeakPolarHBondContact O-CG 3.4Å; A895-L899 PolarHBondContact O-N 3.2Å; Y896-L899 PolarHBondContact O-N 3.2Å; L899-S903 WeakPolarHBondContact O-CB 3.46Å; L899-S903 PolarHBondContact O-N 2.8Å; L899-M979 HydrophobicContact CD1-CB 4.17Å; L899-M979 HydrophobicContact CD2-CB 3.81Å; L899-M979 HydrophobicContact CG-CB 3.8Å |
| 900 | A | 72.4 | Confident | 69.7 | Low | 55 Ų | 55 | 58.3 Ų | 58.3 | 46% | 0.455 | 33% | 0.325 | S | S | . | . | H | α-helix | trans | -68 | -48.6 | 174.7 | 0 | 0 | 0 | 0 | 0 | 111.7 | Y896 I897 A898 L902 S903 V904 | Y896-A900 VanDerWaalsContact O-CB 3.26Å; Y896-A900 WeakPolarHBondContact O-CB 3.4Å; Y896-A900 PolarHBondContact O-N 2.72Å; I897-A900 PolarHBondContact O-N 3.04Å; A898-A900 VanDerWaalsContact C-N 3.3Å; A898-A900 PolarHBondContact O-N 2.98Å; A900-L902 VanDerWaalsContact C-N 3.32Å; A900-L902 PolarHBondContact O-N 3.4Å; A900-S903 PolarHBondContact O-N 3.3Å; A900-V904 WeakPolarHBondContact O-CB 3.11Å; A900-V904 VanDerWaalsContact O-CG2 3.31Å; A900-V904 WeakPolarHBondContact O-CG2 3.08Å; A900-V904 PolarHBondContact O-N 3.46Å |
| 901 | L | 71 | Confident | 70.5 | Confident | 98 Ų | 98 | 61.8 Ų | 61.8 | 51% | 0.513 | 33% | 0.334 | S | S | . | . | H | α-helix | trans | -62.5 | -38.6 | 175.5 | -70.4 | 171.6 | 0 | 0 | 0 | 112 | I897 A898 T905 F964 | I897-L901 HydrophobicContact CG2-CD1 3.98Å; I897-L901 HydrophobicContact CG2-CG 4.47Å; I897-L901 WeakPolarHBondContact O-CB 3.27Å; I897-L901 VanDerWaalsContact O-CG 3.29Å; I897-L901 WeakPolarHBondContact O-CG 3.38Å; I897-L901 PolarHBondContact O-N 3.29Å; A898-L901 PolarHBondContact O-N 2.84Å; L901-T905 VanDerWaalsContact O-CB 3.32Å; L901-T905 WeakPolarHBondContact O-CB 3.48Å; L901-T905 PolarHBondContact O-N 2.97Å; L901-T905 PolarHBondContact O-OG1 3.32Å; L901-F964 HydrophobicContact CB-CD1 4.38Å; L901-F964 HydrophobicContact CB-CE1 3.8Å; L901-F964 HydrophobicContact CB-CZ 4.43Å |
| 902 | L | 71.5 | Confident | 71 | Confident | 3 Ų | 3 | 63.7 Ų | 63.7 | 2% | 0.016 | 34% | 0.339 | C | S | . | . | H | α-helix | trans | -67.1 | -45.6 | 175.8 | -169.7 | 69 | 0 | 0 | 0 | 110.5 | A898 A900 T905 I906 F964 F975 A976 | A898-L902 WeakPolarHBondContact O-CB 3.07Å; A898-L902 PolarHBondContact O-N 2.79Å; A900-L902 VanDerWaalsContact C-N 3.32Å; A900-L902 PolarHBondContact O-N 3.4Å; L902-T905 PolarHBondContact O-N 3.24Å; L902-I906 HydrophobicContact CD1-CD1 4.15Å; L902-I906 HydrophobicContact CD2-CD1 4.45Å; L902-I906 HydrophobicContact CG-CD1 3.8Å; L902-I906 HydrophobicContact CG-CG1 4.47Å; L902-I906 VanDerWaalsContact O-CB 3.28Å; L902-I906 WeakPolarHBondContact O-CB 3.01Å; L902-I906 VanDerWaalsContact O-CG1 3.25Å; L902-I906 WeakPolarHBondContact O-CG1 3.29Å; L902-I906 PolarHBondContact O-N 3.24Å; L902-F964 HydrophobicContact CB-CD1 4.08Å; L902-F964 HydrophobicContact CB-CE1 3.86Å; L902-F964 HydrophobicContact CD1-CD1 3.86Å; L902-F964 HydrophobicContact CD1-CE1 4.3Å; L902-F975 HydrophobicContact CD1-CD1 4.28Å; L902-F975 HydrophobicContact CD2-CD1 3.95Å; L902-A976 HydrophobicContact CD2-CB 3.81Å |
| 903 | S | 73.9 | Confident | 71.4 | Confident | 69 Ų | 69 | 64.3 Ų | 64.3 | 48% | 0.483 | 35% | 0.348 | S | S | . | . | H | α-helix | trans | -62.3 | -45 | 176.6 | -178.9 | 0 | 0 | 0 | 0 | 111.9 | L899 A900 S907 | L899-S903 WeakPolarHBondContact O-CB 3.46Å; L899-S903 PolarHBondContact O-N 2.8Å; A900-S903 PolarHBondContact O-N 3.3Å; S903-S907 WeakPolarHBondContact O-CB 3.36Å; S903-S907 PolarHBondContact O-N 3.48Å; S903-S907 PolarHBondContact O-OG 2.87Å |
| 904 | V | 72.2 | Confident | 72 | Confident | 97 Ų | 97 | 64.6 Ų | 64.6 | 59% | 0.588 | 35% | 0.349 | S | S | * | . | H | α-helix | trans | -62.5 | -44.7 | 174.9 | 169.3 | 0 | 0 | 0 | 0 | 110.9 | A900 S907 F908 | A900-V904 WeakPolarHBondContact O-CB 3.11Å; A900-V904 VanDerWaalsContact O-CG2 3.31Å; A900-V904 WeakPolarHBondContact O-CG2 3.08Å; A900-V904 PolarHBondContact O-N 3.46Å; V904-S907 PolarHBondContact O-N 3.32Å; V904-F908 WeakPolarHBondContact O-CB 3.34Å; V904-F908 PolarHBondContact O-N 3.25Å |
| 905 | T | 69.1 | Low | 72.4 | Confident | 24 Ų | 24 | 63.7 Ų | 63.7 | 15% | 0.147 | 34% | 0.341 | C | S | . | . | H | α-helix | trans | -68.6 | -44.2 | -179.1 | -51.1 | 0 | 0 | 0 | 0 | 111.6 | L901 L902 F908 R909 F927 F964 | L901-T905 VanDerWaalsContact O-CB 3.32Å; L901-T905 WeakPolarHBondContact O-CB 3.48Å; L901-T905 PolarHBondContact O-N 2.97Å; L901-T905 PolarHBondContact O-OG1 3.32Å; L902-T905 PolarHBondContact O-N 3.24Å; T905-F908 PolarHBondContact O-N 3Å; T905-R909 HydrophobicContact CG2-CG 4.49Å; T905-R909 VanDerWaalsContact O-CB 3.29Å; T905-R909 WeakPolarHBondContact O-CB 3.15Å; T905-R909 WeakPolarHBondContact O-CG 3.42Å; T905-R909 PolarHBondContact O-N 2.86Å; T905-F927 HydrophobicContact CG2-CE1 4.42Å; T905-F927 HydrophobicContact CG2-CE2 4.21Å; T905-F927 HydrophobicContact CG2-CZ 3.96Å; T905-F964 WeakPolarHBondContact CG2-O 3.26Å |
| 906 | I | 71.9 | Confident | 72.2 | Confident | 33 Ų | 33 | 66 Ų | 66 | 17% | 0.169 | 35% | 0.352 | C | S | . | . | H | α-helix | trans | -62.6 | -42.8 | 173.8 | -70.5 | 173.6 | 0 | 0 | 0 | 110.7 | L902 R909 I910 V966 L969 | L902-I906 HydrophobicContact CD1-CD1 4.15Å; L902-I906 HydrophobicContact CD2-CD1 4.45Å; L902-I906 HydrophobicContact CG-CD1 3.8Å; L902-I906 HydrophobicContact CG-CG1 4.47Å; L902-I906 VanDerWaalsContact O-CB 3.28Å; L902-I906 WeakPolarHBondContact O-CB 3.01Å; L902-I906 VanDerWaalsContact O-CG1 3.25Å; L902-I906 WeakPolarHBondContact O-CG1 3.29Å; L902-I906 PolarHBondContact O-N 3.24Å; I906-R909 WeakPolarHBondContact O-CB 3.36Å; I906-R909 PolarHBondContact O-N 3.41Å; I906-I910 HydrophobicContact CG2-CD1 3.63Å; I906-I910 HydrophobicContact CG2-CG1 4.29Å; I906-I910 WeakPolarHBondContact O-CB 3.39Å; I906-I910 VanDerWaalsContact O-CG1 3.29Å; I906-I910 WeakPolarHBondContact O-CG1 3.36Å; I906-I910 PolarHBondContact O-N 3.4Å; I906-V966 HydrophobicContact CG1-CG2 4.04Å; I906-L969 HydrophobicContact CG2-CD1 4.49Å |
| 907 | S | 75.2 | Confident | 72.4 | Confident | 64 Ų | 64 | 63.3 Ų | 63.3 | 45% | 0.448 | 36% | 0.357 | S | S | . | . | H | α-helix | trans | -64.6 | -43.3 | 179.2 | -61.2 | 0 | 0 | 0 | 0 | 111.8 | S903 V904 I910 Y911 | S903-S907 WeakPolarHBondContact O-CB 3.36Å; S903-S907 PolarHBondContact O-N 3.48Å; S903-S907 PolarHBondContact O-OG 2.87Å; V904-S907 PolarHBondContact O-N 3.32Å; S907-I910 PolarHBondContact O-N 3.38Å; S907-Y911 VanDerWaalsContact O-CB 3.26Å; S907-Y911 WeakPolarHBondContact O-CB 3.43Å; S907-Y911 PolarHBondContact O-N 2.83Å |
| 908 | F | 72.1 | Confident | 72.2 | Confident | 91 Ų | 91 | 64.6 Ų | 64.6 | 40% | 0.399 | 36% | 0.364 | S | S | . | . | H | α-helix | trans | -67.3 | -37.8 | 174.3 | -172.3 | -76.7 | 0 | 0 | 0 | 111.8 | V904 T905 Y911 K912 F927 | V904-F908 WeakPolarHBondContact O-CB 3.34Å; V904-F908 PolarHBondContact O-N 3.25Å; T905-F908 PolarHBondContact O-N 3Å; F908-Y911 PolarHBondContact O-N 3.41Å; F908-K912 HydrophobicContact CD1-CG 3.9Å; F908-K912 HydrophobicContact CE1-CD 4.44Å; F908-K912 HydrophobicContact CE1-CG 3.59Å; F908-K912 HydrophobicContact CZ-CG 4.25Å; F908-K912 WeakPolarHBondContact O-CB 3.48Å; F908-K912 PolarHBondContact O-N 2.74Å; F908-F927 HydrophobicContact CB-CE2 4.32Å; F908-F927 HydrophobicContact CB-CZ 3.94Å; F908-F927 HydrophobicContact CD1-CD2 4.24Å; F908-F927 HydrophobicContact CD1-CE1 4.25Å; F908-F927 AromaticContact CD1-CE2 3.27Å; F908-F927 HydrophobicContact CD1-CE2 3.27Å; F908-F927 AromaticContact CD1-CZ 3.27Å; F908-F927 HydrophobicContact CD1-CZ 3.27Å; F908-F927 HydrophobicContact CE1-CD2 4.41Å; F908-F927 HydrophobicContact CE1-CE1 4.42Å; F908-F927 AromaticContact CE1-CE2 3.81Å; F908-F927 HydrophobicContact CE1-CE2 3.81Å; F908-F927 AromaticContact CE1-CZ 3.81Å; F908-F927 HydrophobicContact CE1-CZ 3.81Å; F908-F927 HydrophobicContact CG-CE2 4.11Å; F908-F927 AromaticContact CG-CZ 3.75Å; F908-F927 HydrophobicContact CG-CZ 3.75Å |
| 909 | R | 71.7 | Confident | 71.7 | Confident | 21 Ų | 21 | 70.4 Ų | 70.4 | 8% | 0.079 | 39% | 0.389 | C | S | . | . | H | α-helix | trans | -59.5 | -48.7 | 173.1 | -78.1 | -80.3 | 177.6 | -178.5 | -2.6 | 111.7 | T905 I906 G913 H925 P926 F927 L965 V966 | T905-R909 HydrophobicContact CG2-CG 4.49Å; T905-R909 VanDerWaalsContact O-CB 3.29Å; T905-R909 WeakPolarHBondContact O-CB 3.15Å; T905-R909 WeakPolarHBondContact O-CG 3.42Å; T905-R909 PolarHBondContact O-N 2.86Å; I906-R909 WeakPolarHBondContact O-CB 3.36Å; I906-R909 PolarHBondContact O-N 3.41Å; R909-G913 PolarHBondContact O-N 2.88Å; R909-H925 VanDerWaalsContact CZ-CE1 3.41Å; R909-H925 PolarHBondContact NH1-CD2 3.1Å; R909-H925 PolarHBondContact NH1-CE1 2.79Å; R909-H925 PolarHBondContact NH1-ND1 3.42Å; R909-H925 PolarHBondContact NH1-NE2 2.66Å; R909-H925 VanDerWaalsContact NH1-NE2 3.15Å; R909-H925 PolarHBondContact NH2-CE1 3.43Å; R909-H925 PolarHBondContact NH2-ND1 3.03Å; R909-P926 VanDerWaalsContact NH1-CD 3.3Å; R909-F927 HydrophobicContact CG-CD2 4.33Å; R909-F927 HydrophobicContact CG-CE2 3.87Å; R909-F927 VanDerWaalsContact NE-CD2 3.31Å; R909-L965 PolarHBondContact NE-O 2.81Å; R909-L965 PolarHBondContact NH2-O 3.32Å; R909-V966 HydrophobicContact CG-CB 3.79Å; R909-V966 HydrophobicContact CG-CG1 4.17Å; R909-V966 HydrophobicContact CG-CG2 3.9Å |
| 910 | I | 74.5 | Confident | 71 | Confident | 92 Ų | 92 | 77.4 Ų | 77.4 | 47% | 0.472 | 42% | 0.417 | S | S | . | . | H | α-helix | trans | -65 | -45.5 | 177.3 | -67.7 | 168.6 | 0 | 0 | 0 | 110 | I906 S907 G913 V914 | I906-I910 HydrophobicContact CG2-CD1 3.63Å; I906-I910 HydrophobicContact CG2-CG1 4.29Å; I906-I910 WeakPolarHBondContact O-CB 3.39Å; I906-I910 VanDerWaalsContact O-CG1 3.29Å; I906-I910 WeakPolarHBondContact O-CG1 3.36Å; I906-I910 PolarHBondContact O-N 3.4Å; S907-I910 PolarHBondContact O-N 3.38Å; I910-G913 PolarHBondContact O-N 3.28Å; I910-V914 HydrophobicContact CG2-CG2 4.17Å; I910-V914 WeakPolarHBondContact O-CB 3.3Å; I910-V914 VanDerWaalsContact O-CG2 3.3Å; I910-V914 WeakPolarHBondContact O-CG2 3.48Å; I910-V914 PolarHBondContact O-N 2.84Å |
| 911 | Y | 76.2 | Confident | 70 | Confident | 152 Ų | 152 | 77.1 Ų | 77.1 | 60% | 0.596 | 41% | 0.412 | S | S | * | . | H | α-helix | trans | -57.4 | -52.2 | 177 | 177.2 | -107.4 | 0 | 0 | 0 | 111.9 | S907 F908 G913 V914 I915 | S907-Y911 VanDerWaalsContact O-CB 3.26Å; S907-Y911 WeakPolarHBondContact O-CB 3.43Å; S907-Y911 PolarHBondContact O-N 2.83Å; F908-Y911 PolarHBondContact O-N 3.41Å; Y911-G913 VanDerWaalsContact C-N 3.35Å; Y911-G913 PolarHBondContact O-N 3.49Å; Y911-V914 PolarHBondContact O-N 2.79Å; Y911-I915 HydrophobicContact CD2-CG1 4.48Å; Y911-I915 HydrophobicContact CE1-CG1 4.44Å; Y911-I915 HydrophobicContact CE2-CD1 4.37Å; Y911-I915 HydrophobicContact CE2-CG1 4.16Å; Y911-I915 VanDerWaalsContact O-CG1 3.31Å; Y911-I915 WeakPolarHBondContact O-CG1 3.17Å; Y911-I915 PolarHBondContact O-N 2.89Å |
| 912 | K | 69.8 | Low | 69.1 | Low | 90 Ų | 90 | 80.7 Ų | 80.7 | 39% | 0.391 | 43% | 0.432 | S | S | . | . | H | α-helix | trans | -59.5 | -43 | 174.5 | -83.7 | -79.2 | -169.8 | 171.3 | 0 | 112.2 | F908 I915 Q916 P926 | F908-K912 HydrophobicContact CD1-CG 3.9Å; F908-K912 HydrophobicContact CE1-CD 4.44Å; F908-K912 HydrophobicContact CE1-CG 3.59Å; F908-K912 HydrophobicContact CZ-CG 4.25Å; F908-K912 WeakPolarHBondContact O-CB 3.48Å; F908-K912 PolarHBondContact O-N 2.74Å; K912-I915 PolarHBondContact O-N 2.71Å; K912-Q916 WeakPolarHBondContact O-CB 3.31Å; K912-Q916 VanDerWaalsContact O-CG 3.26Å; K912-Q916 WeakPolarHBondContact O-CG 3.24Å; K912-Q916 PolarHBondContact O-N 3.03Å; K912-Q916 PolarHBondContact O-OE1 3.38Å; K912-P926 HydrophobicContact CB-CB 3.77Å; K912-P926 HydrophobicContact CB-CG 3.69Å; K912-P926 HydrophobicContact CD-CB 4.04Å; K912-P926 HydrophobicContact CG-CB 3.76Å; K912-P926 HydrophobicContact CG-CG 4.23Å |
| 913 | G | 73.5 | Confident | 68.2 | Low | 30 Ų | 30 | 87.7 Ų | 87.7 | 31% | 0.309 | 46% | 0.464 | S | S | . | . | H | α-helix | trans | -63.7 | -38.6 | 178.2 | 0 | 0 | 0 | 0 | 0 | 113.7 | R909 I910 Y911 A917 | R909-G913 PolarHBondContact O-N 2.88Å; I910-G913 PolarHBondContact O-N 3.28Å; Y911-G913 VanDerWaalsContact C-N 3.35Å; Y911-G913 PolarHBondContact O-N 3.49Å; G913-A917 VanDerWaalsContact O-CB 3.31Å; G913-A917 WeakPolarHBondContact O-CB 3.23Å; G913-A917 PolarHBondContact O-N 2.85Å |
| 914 | V | 75.9 | Confident | 67.4 | Low | 74 Ų | 74 | 86.8 Ų | 86.8 | 45% | 0.448 | 47% | 0.466 | S | S | . | . | H | α-helix | trans | -69 | -43.4 | 174.7 | 168.5 | 0 | 0 | 0 | 0 | 110.7 | I910 Y911 A917 I918 | I910-V914 HydrophobicContact CG2-CG2 4.17Å; I910-V914 WeakPolarHBondContact O-CB 3.3Å; I910-V914 VanDerWaalsContact O-CG2 3.3Å; I910-V914 WeakPolarHBondContact O-CG2 3.48Å; I910-V914 PolarHBondContact O-N 2.84Å; Y911-V914 PolarHBondContact O-N 2.79Å; V914-A917 PolarHBondContact O-N 2.96Å; V914-I918 HydrophobicContact CG1-CD1 3.73Å; V914-I918 HydrophobicContact CG1-CG1 4.49Å; V914-I918 WeakPolarHBondContact O-CB 3.5Å; V914-I918 VanDerWaalsContact O-CG1 3.25Å; V914-I918 WeakPolarHBondContact O-CG1 3.03Å; V914-I918 PolarHBondContact O-N 3.08Å |
| 915 | I | 74.4 | Confident | 66.5 | Low | 55 Ų | 55 | 85.2 Ų | 85.2 | 28% | 0.282 | 45% | 0.452 | S | S | . | . | H | α-helix | trans | -63.5 | -42.9 | 174.7 | -63.9 | -64.1 | 0 | 0 | 0 | 111 | Y911 K912 A917 I918 Q919 | Y911-I915 HydrophobicContact CD2-CG1 4.48Å; Y911-I915 HydrophobicContact CE1-CG1 4.44Å; Y911-I915 HydrophobicContact CE2-CD1 4.37Å; Y911-I915 HydrophobicContact CE2-CG1 4.16Å; Y911-I915 VanDerWaalsContact O-CG1 3.31Å; Y911-I915 WeakPolarHBondContact O-CG1 3.17Å; Y911-I915 PolarHBondContact O-N 2.89Å; K912-I915 PolarHBondContact O-N 2.71Å; I915-A917 PolarHBondContact O-N 3.47Å; I915-I918 PolarHBondContact O-N 3.26Å; I915-Q919 HydrophobicContact CG2-CG 4.37Å; I915-Q919 WeakPolarHBondContact O-CB 3.48Å; I915-Q919 WeakPolarHBondContact O-CG 3.46Å; I915-Q919 PolarHBondContact O-N 2.83Å |
| 916 | Q | 67.2 | Low | 65.8 | Low | 50 Ų | 50 | 85.8 Ų | 85.8 | 23% | 0.234 | 46% | 0.456 | C | S | . | . | H | α-helix | trans | -58.3 | -45.8 | 172.8 | -78 | 163.5 | -34.2 | 0 | 0 | 111.6 | K912 I918 Q919 K920 E923 G924 | K912-Q916 WeakPolarHBondContact O-CB 3.31Å; K912-Q916 VanDerWaalsContact O-CG 3.26Å; K912-Q916 WeakPolarHBondContact O-CG 3.24Å; K912-Q916 PolarHBondContact O-N 3.03Å; K912-Q916 PolarHBondContact O-OE1 3.38Å; Q916-I918 PolarHBondContact O-N 3.2Å; Q916-Q919 PolarHBondContact O-N 2.88Å; Q916-K920 PolarHBondContact O-N 3.35Å; Q916-E923 PolarHBondContact NE2-O 3.15Å; Q916-G924 PolarHBondContact NE2-O 3.32Å |
| 917 | A | 70.4 | Confident | 64.9 | Low | 78 Ų | 78 | 86.1 Ų | 86.1 | 65% | 0.645 | 46% | 0.457 | S | S | * | . | H | α-helix | trans | -64.9 | -37.1 | 178.5 | 0 | 0 | 0 | 0 | 0 | 113.1 | G913 V914 I915 | G913-A917 VanDerWaalsContact O-CB 3.31Å; G913-A917 WeakPolarHBondContact O-CB 3.23Å; G913-A917 PolarHBondContact O-N 2.85Å; V914-A917 PolarHBondContact O-N 2.96Å; I915-A917 PolarHBondContact O-N 3.47Å |
| 918 | I | 70.9 | Confident | 63.9 | Low | 124 Ų | 124 | 90.5 Ų | 90.5 | 64% | 0.636 | 46% | 0.464 | S | S | * | . | H | α-helix | trans | -71.3 | -41.7 | 176.4 | -69.5 | 165.9 | 0 | 0 | 0 | 111.2 | V914 I915 Q916 | V914-I918 HydrophobicContact CG1-CD1 3.73Å; V914-I918 HydrophobicContact CG1-CG1 4.49Å; V914-I918 WeakPolarHBondContact O-CB 3.5Å; V914-I918 VanDerWaalsContact O-CG1 3.25Å; V914-I918 WeakPolarHBondContact O-CG1 3.03Å; V914-I918 PolarHBondContact O-N 3.08Å; I915-I918 PolarHBondContact O-N 3.26Å; Q916-I918 PolarHBondContact O-N 3.2Å |
| 919 | Q | 59.4 | Low | 63.2 | Low | 133 Ų | 133 | 89.8 Ų | 89.8 | 62% | 0.621 | 48% | 0.475 | S | S | * | . | H | α-helix | trans | -89.4 | -10.3 | -173 | -66.3 | -176.5 | -18.3 | 0 | 0 | 114.3 | I915 Q916 S921 | I915-Q919 HydrophobicContact CG2-CG 4.37Å; I915-Q919 WeakPolarHBondContact O-CB 3.48Å; I915-Q919 WeakPolarHBondContact O-CG 3.46Å; I915-Q919 PolarHBondContact O-N 2.83Å; Q916-Q919 PolarHBondContact O-N 2.88Å; Q919-S921 PolarHBondContact O-N 3.45Å; Q919-S921 VanDerWaalsContact O-N 3.1Å |
| 920 | K | 58.4 | Low | 62.2 | Low | 192 Ų | 192 | 97.6 Ų | 97.6 | 84% | 0.835 | 51% | 0.506 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 53.5 | 23.4 | -175.6 | -63.2 | -172.1 | 176.3 | -177.5 | 0 | 114.3 | Q916 D922 | Q916-K920 PolarHBondContact O-N 3.35Å; K920-D922 PolarHBondContact O-N 2.82Å |
| 921 | S | 51.6 | Low | 61 | Low | 50 Ų | 50 | 94.7 Ų | 94.7 | 35% | 0.35 | 49% | 0.491 | S | S | . | . | | | trans | -83.2 | 111.7 | -179.9 | 53.2 | 0 | 0 | 0 | 0 | 110.2 | Q919 E923 | Q919-S921 PolarHBondContact O-N 3.45Å; Q919-S921 VanDerWaalsContact O-N 3.1Å; S921-E923 PolarHBondContact O-N 2.91Å |
| 922 | D | 50.6 | Low | 59.9 | Low | 172 Ų | 172 | 93.1 Ų | 93.1 | 92% | 0.92 | 49% | 0.489 | S | S | * | . | | | trans | -75.4 | 57.6 | 180 | -168 | 26.1 | 0 | 0 | 0 | 112 | K920 | K920-D922 PolarHBondContact O-N 2.82Š|
| 923 | E | 53.3 | Low | 58.7 | Low | 150 Ų | 150 | 92.6 Ų | 92.6 | 70% | 0.701 | 50% | 0.496 | S | S | * | . | | | trans | -112.8 | 128.9 | -178.9 | -161 | 62.9 | -109.5 | 0 | 0 | 109.3 | Q916 S921 | Q916-E923 PolarHBondContact NE2-O 3.15Å; S921-E923 PolarHBondContact O-N 2.91Å |
| 924 | G | 57.7 | Low | 57.6 | Low | 51 Ų | 51 | 97.6 Ų | 97.6 | 53% | 0.526 | 51% | 0.512 | S | S | . | . | | | trans | -70.5 | -176 | -152.6 | 0 | 0 | 0 | 0 | 0 | 118.6 | Q916 P926 | Q916-G924 PolarHBondContact NE2-O 3.32Å; G924-P926 WeakPolarHBondContact O-CD 3.47Å; G924-P926 VanDerWaalsContact O-N 3.11Å |
| 925 | H | 53.7 | Low | 56.3 | Low | 63 Ų | 63 | 99.9 Ų | 99.9 | 29% | 0.292 | 53% | 0.525 | S | S | . | . | | | trans | -40.2 | 108.5 | -178.9 | -169.1 | -101 | 0 | 0 | 0 | 113.1 | R909 F927 R928 V966 D967 | R909-H925 VanDerWaalsContact CZ-CE1 3.41Å; R909-H925 PolarHBondContact NH1-CD2 3.1Å; R909-H925 PolarHBondContact NH1-CE1 2.79Å; R909-H925 PolarHBondContact NH1-ND1 3.42Å; R909-H925 PolarHBondContact NH1-NE2 2.66Å; R909-H925 VanDerWaalsContact NH1-NE2 3.15Å; R909-H925 PolarHBondContact NH2-CE1 3.43Å; R909-H925 PolarHBondContact NH2-ND1 3.03Å; H925-F927 PolarHBondContact O-N 2.69Å; H925-R928 HydrophobicContact CB-CB 4.4Å; H925-R928 WeakPolarHBondContact O-CB 3.08Å; H925-R928 PolarHBondContact O-N 2.76Å; H925-V966 PolarHBondContact NE2-O 3.09Å; H925-D967 IonicContact CE1-OD1 2.94Å; H925-D967 PolarHBondContact CE1-OD1 3.44Å; H925-D967 IonicContact ND1-OD1 3.95Å; H925-D967 IonicContact NE2-OD1 3.21Å; H925-D967 PolarHBondContact NE2-OD1 3.28Å |
| 926 | P | 53.8 | Low | 55 | Low | 36 Ų | 36 | 100.4 Ų | 100.4 | 23% | 0.234 | 54% | 0.538 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -69.8 | 7.5 | -155.4 | 22.4 | -36.2 | 0 | 0 | 0 | 118.6 | R909 K912 G924 | R909-P926 VanDerWaalsContact NH1-CD 3.3Å; K912-P926 HydrophobicContact CB-CB 3.77Å; K912-P926 HydrophobicContact CB-CG 3.69Å; K912-P926 HydrophobicContact CD-CB 4.04Å; K912-P926 HydrophobicContact CG-CB 3.76Å; K912-P926 HydrophobicContact CG-CG 4.23Å; G924-P926 WeakPolarHBondContact O-CD 3.47Å; G924-P926 VanDerWaalsContact O-N 3.11Å |
| 927 | F | 53.8 | Low | 54.2 | Low | 40 Ų | 40 | 101.4 Ų | 101.4 | 18% | 0.175 | 54% | 0.544 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -131.9 | 15.1 | 167 | -61.8 | -112.9 | 0 | 0 | 0 | 113.2 | T905 F908 R909 H925 A929 Y930 L931 L965 | T905-F927 HydrophobicContact CG2-CE1 4.42Å; T905-F927 HydrophobicContact CG2-CE2 4.21Å; T905-F927 HydrophobicContact CG2-CZ 3.96Å; F908-F927 HydrophobicContact CB-CE2 4.32Å; F908-F927 HydrophobicContact CB-CZ 3.94Å; F908-F927 HydrophobicContact CD1-CD2 4.24Å; F908-F927 HydrophobicContact CD1-CE1 4.25Å; F908-F927 AromaticContact CD1-CE2 3.27Å; F908-F927 HydrophobicContact CD1-CE2 3.27Å; F908-F927 AromaticContact CD1-CZ 3.27Å; F908-F927 HydrophobicContact CD1-CZ 3.27Å; F908-F927 HydrophobicContact CE1-CD2 4.41Å; F908-F927 HydrophobicContact CE1-CE1 4.42Å; F908-F927 AromaticContact CE1-CE2 3.81Å; F908-F927 HydrophobicContact CE1-CE2 3.81Å; F908-F927 AromaticContact CE1-CZ 3.81Å; F908-F927 HydrophobicContact CE1-CZ 3.81Å; F908-F927 HydrophobicContact CG-CE2 4.11Å; F908-F927 AromaticContact CG-CZ 3.75Å; F908-F927 HydrophobicContact CG-CZ 3.75Å; R909-F927 HydrophobicContact CG-CD2 4.33Å; R909-F927 HydrophobicContact CG-CE2 3.87Å; R909-F927 VanDerWaalsContact NE-CD2 3.31Å; H925-F927 PolarHBondContact O-N 2.69Å; F927-A929 VanDerWaalsContact C-N 3.26Å; F927-A929 PolarHBondContact O-N 3.17Å; F927-A929 VanDerWaalsContact O-N 3.08Å; F927-Y930 CarbonylContact O-C 3.59Å; F927-Y930 WeakPolarHBondContact O-CA 3.38Å; F927-Y930 WeakPolarHBondContact O-CB 3.41Å; F927-Y930 PolarHBondContact O-N 3.23Å; F927-L931 PolarHBondContact O-N 3.26Å; F927-L965 HydrophobicContact CB-CD2 3.41Å; F927-L965 VanDerWaalsContact CB-CD2 3.41Å; F927-L965 HydrophobicContact CD1-CD2 3.95Å; F927-L965 HydrophobicContact CG-CD2 3.83Å |
| 928 | R | 53.8 | Low | 53.4 | Low | 156 Ų | 156 | 100.5 Ų | 100.5 | 59% | 0.589 | 53% | 0.533 | S | S | * | . | H | α-helix | trans | -51.7 | -41.1 | -171.2 | -167.4 | 173.5 | -178.2 | 161.3 | 8.6 | 114 | H925 Y930 L931 E932 | H925-R928 HydrophobicContact CB-CB 4.4Å; H925-R928 WeakPolarHBondContact O-CB 3.08Å; H925-R928 PolarHBondContact O-N 2.76Å; R928-Y930 PolarHBondContact O-N 3.07Å; R928-L931 WeakPolarHBondContact O-CA 3.37Å; R928-L931 WeakPolarHBondContact O-CB 3.42Å; R928-L931 PolarHBondContact O-N 2.77Å; R928-E932 VanDerWaalsContact CG-OE1 3.28Å; R928-E932 WeakPolarHBondContact CG-OE1 3.49Å; R928-E932 IonicContact NE-OE1 3.05Å; R928-E932 PolarHBondContact NE-OE1 2.95Å; R928-E932 WeakPolarHBondContact O-CG 3.44Å; R928-E932 PolarHBondContact O-N 3.49Å; R928-E932 VanDerWaalsContact O-N 3.14Å |
| 929 | A | 56.1 | Low | 52.7 | Low | 77 Ų | 77 | 101.3 Ų | 101.3 | 64% | 0.636 | 53% | 0.534 | S | S | * | . | H | α-helix | trans | -63.3 | -37.4 | 173.3 | 0 | 0 | 0 | 0 | 0 | 114.1 | F927 L931 E932 S933 | F927-A929 VanDerWaalsContact C-N 3.26Å; F927-A929 PolarHBondContact O-N 3.17Å; F927-A929 VanDerWaalsContact O-N 3.08Å; A929-L931 VanDerWaalsContact C-N 3.26Å; A929-L931 PolarHBondContact O-N 2.84Å; A929-E932 PolarHBondContact O-N 3.46Å; A929-S933 PolarHBondContact O-N 3.46Å |
| 930 | Y | 50.5 | Low | 52.5 | Low | 185 Ų | 185 | 98.6 Ų | 98.6 | 73% | 0.725 | 52% | 0.521 | S | S | * | . | H | α-helix | trans | -77.4 | -9.8 | 172 | -90 | -87.7 | 0 | 0 | 0 | 113.2 | F927 R928 R961 | F927-Y930 CarbonylContact O-C 3.59Å; F927-Y930 WeakPolarHBondContact O-CA 3.38Å; F927-Y930 WeakPolarHBondContact O-CB 3.41Å; F927-Y930 PolarHBondContact O-N 3.23Å; R928-Y930 PolarHBondContact O-N 3.07Å; Y930-R961 PolarHBondContact O-NH2 2.84Å |
| 931 | L | 50.2 | Low | 52.2 | Low | 30 Ų | 30 | 94.5 Ų | 94.5 | 16% | 0.157 | 51% | 0.508 | C | S | . | . | H | α-helix | trans | -85.1 | -26 | 171.3 | -123.6 | 170.9 | 0 | 0 | 0 | 112.4 | F927 R928 A929 R961 L965 D967 | F927-L931 PolarHBondContact O-N 3.26Å; R928-L931 WeakPolarHBondContact O-CA 3.37Å; R928-L931 WeakPolarHBondContact O-CB 3.42Å; R928-L931 PolarHBondContact O-N 2.77Å; A929-L931 VanDerWaalsContact C-N 3.26Å; A929-L931 PolarHBondContact O-N 2.84Å; L931-R961 VanDerWaalsContact C-CZ 3.47Å; L931-R961 VanDerWaalsContact C-NH2 3.3Å; L931-R961 PolarHBondContact O-NE 3.21Å; L931-R961 VanDerWaalsContact O-NE 3.14Å; L931-R961 PolarHBondContact O-NH1 3.12Å; L931-R961 PolarHBondContact O-NH2 3.27Å; L931-L965 HydrophobicContact CD1-CB 3.99Å; L931-L965 HydrophobicContact CD2-CB 4.04Å; L931-L965 HydrophobicContact CD2-CD1 4.09Å; L931-L965 HydrophobicContact CG-CB 3.66Å; L931-L965 HydrophobicContact CG-CD1 3.93Å; L931-L965 HydrophobicContact CG-CD2 4.17Å; L931-L965 HydrophobicContact CG-CG 4.11Å; L931-D967 WeakPolarHBondContact CD1-OD2 3.13Å |
| 932 | E | 53.7 | Low | 52.2 | Low | 120 Ų | 120 | 92.9 Ų | 92.9 | 56% | 0.561 | 50% | 0.496 | S | S | * | . | H | α-helix | trans | -98.6 | -20.4 | -172.4 | -70.3 | 165.4 | -178.8 | 0 | 0 | 112.7 | R928 A929 E934 | R928-E932 VanDerWaalsContact CG-OE1 3.28Å; R928-E932 WeakPolarHBondContact CG-OE1 3.49Å; R928-E932 IonicContact NE-OE1 3.05Å; R928-E932 PolarHBondContact NE-OE1 2.95Å; R928-E932 WeakPolarHBondContact O-CG 3.44Å; R928-E932 PolarHBondContact O-N 3.49Å; R928-E932 VanDerWaalsContact O-N 3.14Å; A929-E932 PolarHBondContact O-N 3.46Å; E932-E934 PolarHBondContact O-N 3.04Å |
| 933 | S | 44.9 | Very low | 52.5 | Low | 78 Ų | 78 | 91.5 Ų | 91.5 | 55% | 0.545 | 48% | 0.484 | S | S | . | . | S | Bend | trans | -70.6 | 93.8 | 176.2 | 177.9 | 0 | 0 | 0 | 0 | 113 | A929 V935 R961 | A929-S933 PolarHBondContact O-N 3.46Å; S933-V935 PolarHBondContact O-N 2.94Å; S933-R961 VanDerWaalsContact O-CZ 3.25Å; S933-R961 PolarHBondContact O-NH1 3.2Å; S933-R961 PolarHBondContact O-NH2 3.39Å |
| 934 | E | 49.1 | Very low | 52.8 | Low | 136 Ų | 136 | 90.6 Ų | 90.6 | 64% | 0.636 | 48% | 0.478 | S | S | * | . | | | trans | -63.3 | 128.8 | -178.4 | -69.2 | -169 | 127.7 | 0 | 0 | 113.8 | E932 K958 | E932-E934 PolarHBondContact O-N 3.04Å; E934-K958 IonicContact OE1-NZ 3.62Å |
| 935 | V | 48.8 | Very low | 52.8 | Low | 121 Ų | 121 | 96.3 Ų | 96.3 | 73% | 0.733 | 49% | 0.485 | S | S | * | . | | | trans | -103.9 | 63 | 156.8 | -171.7 | 0 | 0 | 0 | 0 | 107.2 | S933 I937 | S933-V935 PolarHBondContact O-N 2.94Å; V935-I937 PolarHBondContact O-N 3.49Å |
| 936 | A | 47.9 | Very low | 53.1 | Low | 66 Ų | 66 | 96.7 Ų | 96.7 | 55% | 0.545 | 50% | 0.495 | S | S | . | . | P | Polyproline II helix | trans | -70.4 | 120.6 | 167.4 | 0 | 0 | 0 | 0 | 0 | 107.7 | S938 | A936-S938 PolarHBondContact O-N 3.44Š|
| 937 | I | 50.4 | Low | 53.4 | Low | 71 Ų | 71 | 99.7 Ų | 99.7 | 36% | 0.364 | 51% | 0.509 | S | S | . | . | P | Polyproline II helix | trans | -66.7 | 123.6 | 176.5 | -63.5 | 175.4 | 0 | 0 | 0 | 107.7 | V935 V942 L950 I957 | V935-I937 PolarHBondContact O-N 3.49Å; I937-V942 WeakPolarHBondContact O-CG2 3.46Å; I937-L950 HydrophobicContact CG2-CD2 4.28Å; I937-I957 HydrophobicContact CD1-CD1 4.27Å |
| 938 | S | 52 | Low | 53.6 | Low | 59 Ų | 59 | 101.6 Ų | 101.6 | 41% | 0.413 | 53% | 0.527 | S | S | . | . | P | Polyproline II helix | trans | -49.5 | 138.8 | -168.5 | 180 | 0 | 0 | 0 | 0 | 113.5 | A936 E940 L941 V942 | A936-S938 PolarHBondContact O-N 3.44Å; S938-E940 PolarHBondContact O-N 2.79Å; S938-E940 VanDerWaalsContact O-N 3.09Å; S938-L941 PolarHBondContact O-N 2.79Å; S938-V942 PolarHBondContact O-N 2.7Å |
| 939 | E | 56.2 | Low | 53.9 | Low | 141 Ų | 141 | 96.5 Ų | 96.5 | 66% | 0.659 | 52% | 0.518 | S | S | * | . | H | α-helix | trans | -57.6 | -26.7 | -178.6 | -162.6 | 166.4 | -170 | 0 | 0 | 112.5 | L941 V942 Q943 | E939-L941 PolarHBondContact O-N 2.96Å; E939-V942 WeakPolarHBondContact O-CB 3.48Å; E939-V942 PolarHBondContact O-N 3.3Å; E939-V942 VanDerWaalsContact O-N 3.13Å; E939-Q943 WeakPolarHBondContact O-CB 3.47Å; E939-Q943 PolarHBondContact O-N 3.42Å |
| 940 | E | 55.3 | Low | 54.2 | Low | 76 Ų | 76 | 94.1 Ų | 94.1 | 36% | 0.355 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -60.6 | -26.9 | 175.4 | -60.6 | 178.5 | 143.1 | 0 | 0 | 113.8 | N696 S938 | N696-E940 WeakPolarHBondContact CA-OE1 3.44Å; N696-E940 PolarHBondContact N-OE1 3.06Å; S938-E940 PolarHBondContact O-N 2.79Å; S938-E940 VanDerWaalsContact O-N 3.09Å |
| 941 | L | 53.1 | Low | 55.1 | Low | 106 Ų | 106 | 87.1 Ų | 87.1 | 56% | 0.555 | 48% | 0.479 | S | S | * | . | H | α-helix | trans | -93.8 | -33.5 | 171.9 | -78 | 161.6 | 0 | 0 | 0 | 112.1 | S938 E939 Y945 | S938-L941 PolarHBondContact O-N 2.79Å; E939-L941 PolarHBondContact O-N 2.96Å; L941-Y945 PolarHBondContact O-N 2.69Å |
| 942 | V | 51.9 | Low | 55.7 | Low | 16 Ų | 16 | 92 Ų | 92 | 10% | 0.097 | 50% | 0.501 | C | S | . | . | H | α-helix | trans | -56.9 | -49 | 176 | 174.4 | 0 | 0 | 0 | 0 | 111.2 | I937 S938 E939 K944 Y945 L950 | I937-V942 WeakPolarHBondContact O-CG2 3.46Å; S938-V942 PolarHBondContact O-N 2.7Å; E939-V942 WeakPolarHBondContact O-CB 3.48Å; E939-V942 PolarHBondContact O-N 3.3Å; E939-V942 VanDerWaalsContact O-N 3.13Å; V942-K944 VanDerWaalsContact C-N 3.28Å; V942-K944 PolarHBondContact O-N 3.35Å; V942-Y945 CarbonylContact O-C 3.57Å; V942-Y945 PolarHBondContact O-N 3.01Å; V942-Y945 VanDerWaalsContact O-N 3.09Å; V942-L950 HydrophobicContact CB-CB 4.25Å; V942-L950 HydrophobicContact CB-CD2 4.31Å; V942-L950 HydrophobicContact CG1-CB 3.87Å; V942-L950 HydrophobicContact CG2-CB 4.05Å; V942-L950 HydrophobicContact CG2-CD2 3.66Å; V942-L950 HydrophobicContact CG2-CG 4.44Å |
| 943 | Q | 56.2 | Low | 56 | Low | 143 Ų | 143 | 89.7 Ų | 89.7 | 67% | 0.668 | 49% | 0.494 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -70 | -23.9 | -169 | -155.2 | 172.3 | 21.9 | 0 | 0 | 113.2 | E939 | E939-Q943 WeakPolarHBondContact O-CB 3.47Å; E939-Q943 PolarHBondContact O-N 3.42Å |
| 944 | K | 60.7 | Low | 57.2 | Low | 132 Ų | 132 | 88.2 Ų | 88.2 | 57% | 0.574 | 48% | 0.48 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -77 | -35.1 | 170.7 | -95.1 | -176.1 | 172.5 | 173.3 | 0 | 113.4 | I699 V942 | I699-K944 HydrophobicContact CD1-CD 4.01Å; V942-K944 VanDerWaalsContact C-N 3.28Å; V942-K944 PolarHBondContact O-N 3.35Å |
| 945 | Y | 57.4 | Low | 57.9 | Low | 171 Ų | 171 | 84.4 Ų | 84.4 | 67% | 0.671 | 47% | 0.469 | S | S | * | . | S | Bend | trans | -106.7 | 46.8 | -173.4 | -81.1 | -81.4 | 0 | 0 | 0 | 113 | L941 V942 L950 | L941-Y945 PolarHBondContact O-N 2.69Å; V942-Y945 CarbonylContact O-C 3.57Å; V942-Y945 PolarHBondContact O-N 3.01Å; V942-Y945 VanDerWaalsContact O-N 3.09Å; Y945-L950 WeakPolarHBondContact O-CD1 3.27Å |
| 946 | S | 58.7 | Low | 58.4 | Low | 71 Ų | 71 | 82 Ų | 82 | 50% | 0.497 | 46% | 0.455 | S | S | . | . | | | trans | 58 | 111.7 | 173.5 | -173.2 | 0 | 0 | 0 | 0 | 115 | S948 A949 L950 | S946-S948 PolarHBondContact O-N 2.88Å; S946-A949 PolarHBondContact O-N 3Å; S946-L950 PolarHBondContact O-N 2.83Å |
| 947 | N | 60.6 | Low | 59.3 | Low | 99 Ų | 99 | 82.4 Ų | 82.4 | 53% | 0.529 | 45% | 0.447 | S | S | . | . | H | α-helix | trans | -52 | -29.6 | -178.6 | -66 | -20.4 | 0 | 0 | 0 | 114.3 | G951 | N947-G951 WeakPolarHBondContact O-CA 3.46Å; N947-G951 PolarHBondContact O-N 3.09Å |
| 948 | S | 59 | Low | 60.2 | Low | 80 Ų | 80 | 85.6 Ų | 85.6 | 56% | 0.559 | 46% | 0.458 | S | S | * | . | H | α-helix | trans | -68.4 | -45.7 | 172.6 | -58.6 | 0 | 0 | 0 | 0 | 112.4 | S946 G951 H952 | S946-S948 PolarHBondContact O-N 2.88Å; S948-G951 PolarHBondContact O-N 3.23Å; S948-H952 PolarHBondContact O-CD2 3.13Å; S948-H952 PolarHBondContact O-N 2.99Å |
| 949 | A | 58.5 | Low | 60.8 | Low | 48 Ų | 48 | 87.3 Ų | 87.3 | 40% | 0.397 | 46% | 0.459 | S | S | . | . | H | α-helix | trans | -65.4 | -50.1 | -176.4 | 0 | 0 | 0 | 0 | 0 | 111.6 | S946 H952 V953 | S946-A949 PolarHBondContact O-N 3Å; A949-H952 PolarHBondContact O-N 3.31Å; A949-V953 WeakPolarHBondContact O-CG2 3.3Å; A949-V953 PolarHBondContact O-N 3.46Å |
| 950 | L | 64.3 | Low | 61.3 | Low | 28 Ų | 28 | 83.7 Ų | 83.7 | 15% | 0.147 | 44% | 0.444 | C | S | . | . | H | α-helix | trans | -75.7 | -21.4 | 175.2 | -89.1 | 95.9 | 0 | 0 | 0 | 113.9 | I937 V942 Y945 S946 V953 N954 | I937-L950 HydrophobicContact CG2-CD2 4.28Å; V942-L950 HydrophobicContact CB-CB 4.25Å; V942-L950 HydrophobicContact CB-CD2 4.31Å; V942-L950 HydrophobicContact CG1-CB 3.87Å; V942-L950 HydrophobicContact CG2-CB 4.05Å; V942-L950 HydrophobicContact CG2-CD2 3.66Å; V942-L950 HydrophobicContact CG2-CG 4.44Å; Y945-L950 WeakPolarHBondContact O-CD1 3.27Å; S946-L950 PolarHBondContact O-N 2.83Å; L950-V953 PolarHBondContact O-N 3.45Å; L950-N954 VanDerWaalsContact O-CB 3.23Å; L950-N954 WeakPolarHBondContact O-CB 3.49Å; L950-N954 PolarHBondContact O-N 2.79Å; L950-N954 PolarHBondContact O-ND2 3.32Å |
| 951 | G | 68.9 | Low | 61.9 | Low | 38 Ų | 38 | 82.9 Ų | 82.9 | 39% | 0.392 | 44% | 0.438 | S | S | . | . | H | α-helix | trans | -59.5 | -46.4 | 165.3 | 0 | 0 | 0 | 0 | 0 | 111.9 | N947 S948 S955 | N947-G951 WeakPolarHBondContact O-CA 3.46Å; N947-G951 PolarHBondContact O-N 3.09Å; S948-G951 PolarHBondContact O-N 3.23Å; G951-S955 WeakPolarHBondContact O-CB 3.05Å; G951-S955 PolarHBondContact O-N 3.47Å |
| 952 | H | 63.1 | Low | 62.7 | Low | 133 Ų | 133 | 83 Ų | 83 | 62% | 0.616 | 43% | 0.431 | S | S | * | . | H | α-helix | trans | -66 | -47.3 | 173.9 | -64.6 | -49.5 | 0 | 0 | 0 | 112.3 | S948 A949 N954 S955 T956 | S948-H952 PolarHBondContact O-CD2 3.13Å; S948-H952 PolarHBondContact O-N 2.99Å; A949-H952 PolarHBondContact O-N 3.31Å; H952-N954 PolarHBondContact O-N 2.96Å; H952-S955 PolarHBondContact O-N 2.85Å; H952-T956 PolarHBondContact O-N 2.92Å; H952-T956 PolarHBondContact O-OG1 3.49Å; H952-T956 VanDerWaalsContact O-OG1 3.04Å |
| 953 | V | 59.8 | Low | 63.4 | Low | 71 Ų | 71 | 83.7 Ų | 83.7 | 43% | 0.43 | 43% | 0.434 | S | S | . | . | H | α-helix | trans | -61.1 | -45.6 | 179.3 | 171.3 | 0 | 0 | 0 | 0 | 111.9 | A949 L950 S955 T956 I957 | A949-V953 WeakPolarHBondContact O-CG2 3.3Å; A949-V953 PolarHBondContact O-N 3.46Å; L950-V953 PolarHBondContact O-N 3.45Å; V953-S955 VanDerWaalsContact C-N 3.34Å; V953-S955 PolarHBondContact O-N 3.48Å; V953-T956 PolarHBondContact O-N 2.83Å; V953-I957 HydrophobicContact CG1-CD1 3.7Å; V953-I957 HydrophobicContact CG1-CG1 4.35Å; V953-I957 VanDerWaalsContact O-CG1 3.31Å; V953-I957 WeakPolarHBondContact O-CG1 3.08Å; V953-I957 PolarHBondContact O-N 3.04Å |
| 954 | N | 69.7 | Low | 63.6 | Low | 46 Ų | 46 | 78.6 Ų | 78.6 | 25% | 0.246 | 41% | 0.409 | C | S | . | . | H | α-helix | trans | -66.2 | -35.3 | 177.5 | -75.5 | -23.3 | 0 | 0 | 0 | 111.9 | L950 H952 K958 | L950-N954 VanDerWaalsContact O-CB 3.23Å; L950-N954 WeakPolarHBondContact O-CB 3.49Å; L950-N954 PolarHBondContact O-N 2.79Å; L950-N954 PolarHBondContact O-ND2 3.32Å; H952-N954 PolarHBondContact O-N 2.96Å; N954-K958 VanDerWaalsContact O-CB 3.24Å; N954-K958 WeakPolarHBondContact O-CB 3.41Å; N954-K958 PolarHBondContact O-N 3.48Å |
| 955 | S | 63.4 | Low | 63.5 | Low | 57 Ų | 57 | 73.3 Ų | 73.3 | 40% | 0.399 | 39% | 0.387 | S | S | . | . | H | α-helix | trans | -63.5 | -46.8 | 171.4 | -161.8 | 0 | 0 | 0 | 0 | 111.4 | G951 H952 V953 I957 K958 E959 | G951-S955 WeakPolarHBondContact O-CB 3.05Å; G951-S955 PolarHBondContact O-N 3.47Å; H952-S955 PolarHBondContact O-N 2.85Å; V953-S955 VanDerWaalsContact C-N 3.34Å; V953-S955 PolarHBondContact O-N 3.48Å; S955-I957 PolarHBondContact O-N 2.86Å; S955-K958 WeakPolarHBondContact O-CB 3.34Å; S955-K958 PolarHBondContact O-N 2.75Å; S955-E959 WeakPolarHBondContact O-CB 3.31Å; S955-E959 WeakPolarHBondContact O-CG 3.4Å; S955-E959 PolarHBondContact O-N 2.78Å |
| 956 | T | 59.9 | Low | 63.5 | Low | 71 Ų | 71 | 65.8 Ų | 65.8 | 44% | 0.436 | 36% | 0.359 | S | S | . | . | H | α-helix | trans | -62.5 | -40.8 | 177.3 | -58.9 | 0 | 0 | 0 | 0 | 111.9 | H952 V953 E959 L960 | H952-T956 PolarHBondContact O-N 2.92Å; H952-T956 PolarHBondContact O-OG1 3.49Å; H952-T956 VanDerWaalsContact O-OG1 3.04Å; V953-T956 PolarHBondContact O-N 2.83Å; T956-E959 PolarHBondContact O-N 2.91Å; T956-L960 HydrophobicContact CG2-CD1 4Å; T956-L960 WeakPolarHBondContact O-CB 3.24Å; T956-L960 WeakPolarHBondContact O-CD1 3.43Å; T956-L960 PolarHBondContact O-N 2.75Å |
| 957 | I | 66.5 | Low | 63.5 | Low | 74 Ų | 74 | 66.2 Ų | 66.2 | 38% | 0.379 | 36% | 0.356 | S | S | . | . | H | α-helix | trans | -64.4 | -40.9 | 174.2 | -69.6 | 168.5 | 0 | 0 | 0 | 110.7 | I937 V953 S955 E959 L960 R961 | I937-I957 HydrophobicContact CD1-CD1 4.27Å; V953-I957 HydrophobicContact CG1-CD1 3.7Å; V953-I957 HydrophobicContact CG1-CG1 4.35Å; V953-I957 VanDerWaalsContact O-CG1 3.31Å; V953-I957 WeakPolarHBondContact O-CG1 3.08Å; V953-I957 PolarHBondContact O-N 3.04Å; S955-I957 PolarHBondContact O-N 2.86Å; I957-E959 VanDerWaalsContact C-N 3.35Å; I957-L960 PolarHBondContact O-N 2.97Å; I957-R961 VanDerWaalsContact O-CB 3.27Å; I957-R961 WeakPolarHBondContact O-CB 3.43Å; I957-R961 PolarHBondContact O-N 3.36Å |
| 958 | K | 69.8 | Low | 63.6 | Low | 137 Ų | 137 | 64.9 Ų | 64.9 | 60% | 0.596 | 35% | 0.349 | S | S | * | . | H | α-helix | trans | -66.6 | -34.8 | 177.2 | -169.8 | 163.8 | -172.6 | 150.5 | 0 | 112.5 | E934 N954 S955 R962 | E934-K958 IonicContact OE1-NZ 3.62Å; N954-K958 VanDerWaalsContact O-CB 3.24Å; N954-K958 WeakPolarHBondContact O-CB 3.41Å; N954-K958 PolarHBondContact O-N 3.48Å; S955-K958 WeakPolarHBondContact O-CB 3.34Å; S955-K958 PolarHBondContact O-N 2.75Å; K958-R962 PolarHBondContact O-N 3.09Å; K958-R962 VanDerWaalsContact O-N 3.15Å |
| 959 | E | 64.4 | Low | 63.8 | Low | 95 Ų | 95 | 65.7 Ų | 65.7 | 44% | 0.444 | 35% | 0.347 | S | S | . | . | H | α-helix | trans | -71.6 | -50.2 | 172.7 | -74.4 | 166.9 | -179.7 | 0 | 0 | 111.8 | S955 T956 I957 R961 R962 L963 | S955-E959 WeakPolarHBondContact O-CB 3.31Å; S955-E959 WeakPolarHBondContact O-CG 3.4Å; S955-E959 PolarHBondContact O-N 2.78Å; T956-E959 PolarHBondContact O-N 2.91Å; I957-E959 VanDerWaalsContact C-N 3.35Å; E959-R961 PolarHBondContact O-N 3.41Å; E959-R962 WeakPolarHBondContact O-CB 3.4Å; E959-R962 PolarHBondContact O-N 3.23Å; E959-L963 WeakPolarHBondContact O-CD1 3.19Å; E959-L963 PolarHBondContact O-N 3.24Å |
| 960 | L | 66.4 | Low | 64 | Low | 65 Ų | 65 | 68 Ų | 68 | 34% | 0.34 | 36% | 0.355 | S | S | . | . | H | α-helix | trans | -52 | -45 | 172 | -100.5 | 63.3 | 0 | 0 | 0 | 110.4 | T956 I957 R962 L963 F964 F975 | T956-L960 HydrophobicContact CG2-CD1 4Å; T956-L960 WeakPolarHBondContact O-CB 3.24Å; T956-L960 WeakPolarHBondContact O-CD1 3.43Å; T956-L960 PolarHBondContact O-N 2.75Å; I957-L960 PolarHBondContact O-N 2.97Å; L960-R962 PolarHBondContact O-N 3.31Å; L960-L963 PolarHBondContact O-N 2.87Å; L960-F964 HydrophobicContact CB-CD2 4.25Å; L960-F964 HydrophobicContact CB-CE2 4.27Å; L960-F964 HydrophobicContact CD2-CE2 4.36Å; L960-F964 HydrophobicContact CG-CE2 4.26Å; L960-F964 WeakPolarHBondContact O-CB 3.44Å; L960-F964 WeakPolarHBondContact O-CD2 3.46Å; L960-F964 PolarHBondContact O-N 2.97Å; L960-F975 HydrophobicContact CG-CZ 4.39Å |
| 961 | R | 67.2 | Low | 64 | Low | 60 Ų | 60 | 68.1 Ų | 68.1 | 23% | 0.226 | 36% | 0.356 | C | S | . | . | H | α-helix | trans | -55.2 | -49.8 | 175.2 | -171.8 | -175.3 | -167.6 | 165.7 | 14.6 | 112 | Y930 L931 S933 I957 E959 L963 F964 L965 | Y930-R961 PolarHBondContact O-NH2 2.84Å; L931-R961 VanDerWaalsContact C-CZ 3.47Å; L931-R961 VanDerWaalsContact C-NH2 3.3Å; L931-R961 PolarHBondContact O-NE 3.21Å; L931-R961 VanDerWaalsContact O-NE 3.14Å; L931-R961 PolarHBondContact O-NH1 3.12Å; L931-R961 PolarHBondContact O-NH2 3.27Å; S933-R961 VanDerWaalsContact O-CZ 3.25Å; S933-R961 PolarHBondContact O-NH1 3.2Å; S933-R961 PolarHBondContact O-NH2 3.39Å; I957-R961 VanDerWaalsContact O-CB 3.27Å; I957-R961 WeakPolarHBondContact O-CB 3.43Å; I957-R961 PolarHBondContact O-N 3.36Å; E959-R961 PolarHBondContact O-N 3.41Å; R961-L963 VanDerWaalsContact C-N 3.33Å; R961-L963 PolarHBondContact O-N 2.83Å; R961-F964 PolarHBondContact O-N 2.94Å; R961-L965 HydrophobicContact CG-CD1 3.54Å; R961-L965 WeakPolarHBondContact O-CB 3.15Å; R961-L965 PolarHBondContact O-N 2.99Å |
| 962 | R | 69.7 | Low | 64 | Low | 109 Ų | 109 | 66.4 Ų | 66.4 | 41% | 0.411 | 34% | 0.338 | S | S | . | . | H | α-helix | trans | -61 | -41.5 | 177.9 | -162.1 | -175 | 88.7 | -141.4 | 2.3 | 112 | K958 E959 L960 D971 | K958-R962 PolarHBondContact O-N 3.09Å; K958-R962 VanDerWaalsContact O-N 3.15Å; E959-R962 WeakPolarHBondContact O-CB 3.4Å; E959-R962 PolarHBondContact O-N 3.23Å; L960-R962 PolarHBondContact O-N 3.31Å; R962-D971 IonicContact NH2-OD2 3.2Å; R962-D971 PolarHBondContact NH2-OD2 3.27Å |
| 963 | L | 66.5 | Low | 64.5 | Low | 30 Ų | 30 | 65.3 Ų | 65.3 | 16% | 0.157 | 34% | 0.336 | C | S | . | . | H | α-helix | trans | -66.9 | -42.7 | 178.4 | -90.5 | 50.3 | 0 | 0 | 0 | 112.3 | E959 L960 R961 D971 S972 F975 | E959-L963 WeakPolarHBondContact O-CD1 3.19Å; E959-L963 PolarHBondContact O-N 3.24Å; L960-L963 PolarHBondContact O-N 2.87Å; R961-L963 VanDerWaalsContact C-N 3.33Å; R961-L963 PolarHBondContact O-N 2.83Å; L963-D971 HydrophobicContact CD1-CB 4.44Å; L963-S972 VanDerWaalsContact O-CB 3.3Å; L963-S972 WeakPolarHBondContact O-CB 2.97Å; L963-F975 HydrophobicContact CB-CB 4.43Å; L963-F975 HydrophobicContact CB-CG 4.4Å; L963-F975 HydrophobicContact CD2-CB 3.94Å; L963-F975 HydrophobicContact CD2-CD2 3.69Å; L963-F975 HydrophobicContact CD2-CE2 4.35Å; L963-F975 HydrophobicContact CD2-CG 3.85Å; L963-F975 HydrophobicContact CG-CB 4.2Å; L963-F975 HydrophobicContact CG-CG 4.43Å |
| 964 | F | 61 | Low | 65.1 | Low | 35 Ų | 35 | 67.6 Ų | 67.6 | 15% | 0.154 | 34% | 0.34 | C | S | . | . | H | α-helix | trans | -67.1 | -44.4 | 176.4 | -85.4 | -64.7 | 0 | 0 | 0 | 112.5 | A898 L901 L902 T905 L960 R961 V966 F975 | A898-F964 HydrophobicContact CB-CZ 3.92Å; A898-F964 WeakPolarHBondContact O-CE1 3.25Å; L901-F964 HydrophobicContact CB-CD1 4.38Å; L901-F964 HydrophobicContact CB-CE1 3.8Å; L901-F964 HydrophobicContact CB-CZ 4.43Å; L902-F964 HydrophobicContact CB-CD1 4.08Å; L902-F964 HydrophobicContact CB-CE1 3.86Å; L902-F964 HydrophobicContact CD1-CD1 3.86Å; L902-F964 HydrophobicContact CD1-CE1 4.3Å; T905-F964 WeakPolarHBondContact CG2-O 3.26Å; L960-F964 HydrophobicContact CB-CD2 4.25Å; L960-F964 HydrophobicContact CB-CE2 4.27Å; L960-F964 HydrophobicContact CD2-CE2 4.36Å; L960-F964 HydrophobicContact CG-CE2 4.26Å; L960-F964 WeakPolarHBondContact O-CB 3.44Å; L960-F964 WeakPolarHBondContact O-CD2 3.46Å; L960-F964 PolarHBondContact O-N 2.97Å; R961-F964 PolarHBondContact O-N 2.94Å; F964-V966 VanDerWaalsContact C-N 3.29Å; F964-V966 WeakPolarHBondContact O-CG2 3.42Å; F964-V966 PolarHBondContact O-N 3.3Å; F964-F975 HydrophobicContact CE2-CE1 4.43Å; F964-F975 HydrophobicContact CZ-CE1 4.14Å |
| 965 | L | 59.3 | Low | 65 | Low | 21 Ų | 21 | 66.1 Ų | 66.1 | 11% | 0.11 | 33% | 0.332 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -83.9 | 5.2 | -167.7 | -86 | 142.9 | 0 | 0 | 0 | 115.1 | R909 F927 L931 R961 D967 | R909-L965 PolarHBondContact NE-O 2.81Å; R909-L965 PolarHBondContact NH2-O 3.32Å; F927-L965 HydrophobicContact CB-CD2 3.41Å; F927-L965 VanDerWaalsContact CB-CD2 3.41Å; F927-L965 HydrophobicContact CD1-CD2 3.95Å; F927-L965 HydrophobicContact CG-CD2 3.83Å; L931-L965 HydrophobicContact CD1-CB 3.99Å; L931-L965 HydrophobicContact CD2-CB 4.04Å; L931-L965 HydrophobicContact CD2-CD1 4.09Å; L931-L965 HydrophobicContact CG-CB 3.66Å; L931-L965 HydrophobicContact CG-CD1 3.93Å; L931-L965 HydrophobicContact CG-CD2 4.17Å; L931-L965 HydrophobicContact CG-CG 4.11Å; R961-L965 HydrophobicContact CG-CD1 3.54Å; R961-L965 WeakPolarHBondContact O-CB 3.15Å; R961-L965 PolarHBondContact O-N 2.99Å; L965-D967 PolarHBondContact O-N 3.19Å |
| 966 | V | 57.4 | Low | 65.4 | Low | 14 Ų | 14 | 64.6 Ų | 64.6 | 9% | 0.085 | 32% | 0.323 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 55 | 51.4 | 168.6 | -169 | 0 | 0 | 0 | 0 | 111.8 | I906 R909 H925 F964 D968 L969 | I906-V966 HydrophobicContact CG1-CG2 4.04Å; R909-V966 HydrophobicContact CG-CB 3.79Å; R909-V966 HydrophobicContact CG-CG1 4.17Å; R909-V966 HydrophobicContact CG-CG2 3.9Å; H925-V966 PolarHBondContact NE2-O 3.09Å; F964-V966 VanDerWaalsContact C-N 3.29Å; F964-V966 WeakPolarHBondContact O-CG2 3.42Å; F964-V966 PolarHBondContact O-N 3.3Å; V966-D968 VanDerWaalsContact C-N 3.27Å; V966-L969 HydrophobicContact CG1-CB 3.99Å; V966-L969 HydrophobicContact CG1-CD1 4.03Å |
| 967 | D | 59.4 | Low | 66.2 | Low | 80 Ų | 80 | 65 Ų | 65 | 43% | 0.428 | 33% | 0.325 | S | S | . | . | S | Bend | trans | -63.8 | -43.7 | 147 | -72.8 | -44.1 | 0 | 0 | 0 | 108.9 | H925 L931 L965 | H925-D967 IonicContact CE1-OD1 2.94Å; H925-D967 PolarHBondContact CE1-OD1 3.44Å; H925-D967 IonicContact ND1-OD1 3.95Å; H925-D967 IonicContact NE2-OD1 3.21Å; H925-D967 PolarHBondContact NE2-OD1 3.28Å; L931-D967 WeakPolarHBondContact CD1-OD2 3.13Å; L965-D967 PolarHBondContact O-N 3.19Å |
| 968 | D | 61 | Low | 66.3 | Low | 70 Ų | 70 | 66.6 Ų | 66.6 | 37% | 0.374 | 33% | 0.334 | S | S | . | . | | | trans | -116.7 | 98 | 178.2 | -71.5 | -68.8 | 0 | 0 | 0 | 110.9 | V966 V970 D971 S972 | V966-D968 VanDerWaalsContact C-N 3.27Å; D968-V970 PolarHBondContact O-N 2.87Å; D968-D971 HydrophobicContact CB-CB 3.65Å; D968-D971 PolarHBondContact O-N 2.87Å; D968-D971 VanDerWaalsContact O-N 3.12Å; D968-S972 PolarHBondContact O-N 3.42Å |
| 969 | L | 64.1 | Low | 66.2 | Low | 98 Ų | 98 | 61.3 Ų | 61.3 | 51% | 0.513 | 31% | 0.311 | S | S | . | . | H | α-helix | trans | -55.1 | -35.4 | 170.2 | -176.2 | 67.8 | 0 | 0 | 0 | 111.1 | I906 V966 S972 L973 | I906-L969 HydrophobicContact CG2-CD1 4.49Å; V966-L969 HydrophobicContact CG1-CB 3.99Å; V966-L969 HydrophobicContact CG1-CD1 4.03Å; L969-S972 WeakPolarHBondContact CA-OG 3.42Å; L969-S972 PolarHBondContact O-N 3.46Å; L969-S972 PolarHBondContact O-OG 2.95Å; L969-L973 WeakPolarHBondContact O-CB 3.45Å; L969-L973 PolarHBondContact O-N 3.47Å |
| 970 | V | 63.1 | Low | 66.8 | Low | 95 Ų | 95 | 65.1 Ų | 65.1 | 58% | 0.576 | 32% | 0.322 | S | S | * | . | H | α-helix | trans | -67.9 | -40.1 | 177.7 | 179.9 | 0 | 0 | 0 | 0 | 112.2 | D968 L973 K974 | D968-V970 PolarHBondContact O-N 2.87Å; V970-L973 PolarHBondContact O-N 2.79Å; V970-K974 WeakPolarHBondContact O-CG 3.2Å; V970-K974 PolarHBondContact O-N 3.1Å |
| 971 | D | 64.7 | Low | 66.9 | Low | 32 Ų | 32 | 65.3 Ų | 65.3 | 17% | 0.171 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -74.7 | -32.8 | 174.8 | -74.8 | 4.3 | 0 | 0 | 0 | 111.7 | R962 L963 D968 L973 K974 F975 | R962-D971 IonicContact NH2-OD2 3.2Å; R962-D971 PolarHBondContact NH2-OD2 3.27Å; L963-D971 HydrophobicContact CD1-CB 4.44Å; D968-D971 HydrophobicContact CB-CB 3.65Å; D968-D971 PolarHBondContact O-N 2.87Å; D968-D971 VanDerWaalsContact O-N 3.12Å; D971-L973 VanDerWaalsContact C-N 3.27Å; D971-L973 PolarHBondContact O-N 3.32Å; D971-K974 WeakPolarHBondContact O-CB 3.49Å; D971-K974 PolarHBondContact O-N 3.16Å; D971-K974 WeakPolarHBondContact OD1-CE 3.44Å; D971-K974 IonicContact OD1-NZ 2.66Å; D971-K974 PolarHBondContact OD1-NZ 3.33Å; D971-F975 WeakPolarHBondContact O-CB 3.2Å; D971-F975 PolarHBondContact O-N 3.45Å |
| 972 | S | 68.3 | Low | 66.7 | Low | 1 Ų | 1 | 66.5 Ų | 66.5 | 1% | 0.007 | 33% | 0.332 | C | S | . | . | H | α-helix | trans | -62.1 | -35.9 | 171.2 | 82.2 | 0 | 0 | 0 | 0 | 111.7 | L963 D968 L969 F975 A976 | L963-S972 VanDerWaalsContact O-CB 3.3Å; L963-S972 WeakPolarHBondContact O-CB 2.97Å; D968-S972 PolarHBondContact O-N 3.42Å; L969-S972 WeakPolarHBondContact CA-OG 3.42Å; L969-S972 PolarHBondContact O-N 3.46Å; L969-S972 PolarHBondContact O-OG 2.95Å; S972-F975 PolarHBondContact O-N 2.65Å; S972-A976 PolarHBondContact O-N 2.83Å |
| 973 | L | 72.6 | Confident | 66.6 | Low | 111 Ų | 111 | 62.6 Ų | 62.6 | 58% | 0.581 | 32% | 0.321 | S | S | * | . | H | α-helix | trans | -71.3 | -40.9 | 173.4 | -179 | 61.5 | 0 | 0 | 0 | 112 | L969 V970 D971 F975 A976 V977 | L969-L973 WeakPolarHBondContact O-CB 3.45Å; L969-L973 PolarHBondContact O-N 3.47Å; V970-L973 PolarHBondContact O-N 2.79Å; D971-L973 VanDerWaalsContact C-N 3.27Å; D971-L973 PolarHBondContact O-N 3.32Å; L973-F975 VanDerWaalsContact C-N 3.26Å; L973-F975 PolarHBondContact O-N 3.43Å; L973-A976 PolarHBondContact O-N 3.39Å; L973-V977 WeakPolarHBondContact O-CG2 3.07Å; L973-V977 PolarHBondContact O-N 2.81Å |
| 974 | K | 72.4 | Confident | 66.6 | Low | 118 Ų | 118 | 68.7 Ų | 68.7 | 51% | 0.513 | 34% | 0.343 | S | S | . | . | H | α-helix | trans | -57.4 | -42.3 | 170.1 | -68.3 | 169.5 | -165 | 157.9 | 0 | 110.8 | V970 D971 V977 L978 | V970-K974 WeakPolarHBondContact O-CG 3.2Å; V970-K974 PolarHBondContact O-N 3.1Å; D971-K974 WeakPolarHBondContact O-CB 3.49Å; D971-K974 PolarHBondContact O-N 3.16Å; D971-K974 WeakPolarHBondContact OD1-CE 3.44Å; D971-K974 IonicContact OD1-NZ 2.66Å; D971-K974 PolarHBondContact OD1-NZ 3.33Å; K974-V977 PolarHBondContact O-N 3.16Å; K974-L978 WeakPolarHBondContact O-CG 3.48Å; K974-L978 PolarHBondContact O-N 2.93Å |
| 975 | F | 69.3 | Low | 66.6 | Low | 16 Ų | 16 | 69.6 Ų | 69.6 | 7% | 0.07 | 35% | 0.351 | C | S | . | . | H | α-helix | trans | -68.4 | -37.4 | 177.4 | -172.2 | -116.9 | 0 | 0 | 0 | 112.6 | L902 L960 L963 F964 D971 S972 L973 V977 L978 M979 | L902-F975 HydrophobicContact CD1-CD1 4.28Å; L902-F975 HydrophobicContact CD2-CD1 3.95Å; L960-F975 HydrophobicContact CG-CZ 4.39Å; L963-F975 HydrophobicContact CB-CB 4.43Å; L963-F975 HydrophobicContact CB-CG 4.4Å; L963-F975 HydrophobicContact CD2-CB 3.94Å; L963-F975 HydrophobicContact CD2-CD2 3.69Å; L963-F975 HydrophobicContact CD2-CE2 4.35Å; L963-F975 HydrophobicContact CD2-CG 3.85Å; L963-F975 HydrophobicContact CG-CB 4.2Å; L963-F975 HydrophobicContact CG-CG 4.43Å; F964-F975 HydrophobicContact CE2-CE1 4.43Å; F964-F975 HydrophobicContact CZ-CE1 4.14Å; D971-F975 WeakPolarHBondContact O-CB 3.2Å; D971-F975 PolarHBondContact O-N 3.45Å; S972-F975 PolarHBondContact O-N 2.65Å; L973-F975 VanDerWaalsContact C-N 3.26Å; L973-F975 PolarHBondContact O-N 3.43Å; F975-V977 VanDerWaalsContact C-N 3.33Å; F975-V977 PolarHBondContact O-N 2.75Å; F975-L978 PolarHBondContact O-N 2.79Å; F975-M979 HydrophobicContact CD1-CG 4.21Å; F975-M979 HydrophobicContact CD2-CG 4.37Å; F975-M979 HydrophobicContact CE1-CG 3.83Å; F975-M979 HydrophobicContact CE1-SD 4.46Å; F975-M979 HydrophobicContact CE2-CE 3.85Å; F975-M979 HydrophobicContact CE2-CG 4.01Å; F975-M979 HydrophobicContact CE2-SD 4.25Å; F975-M979 HydrophobicContact CG-CG 4.47Å; F975-M979 HydrophobicContact CZ-CE 4.07Å; F975-M979 HydrophobicContact CZ-CG 3.72Å; F975-M979 HydrophobicContact CZ-SD 3.88Å; F975-M979 WeakPolarHBondContact O-CB 3.26Å; F975-M979 WeakPolarHBondContact O-CG 3.44Å; F975-M979 PolarHBondContact O-N 2.96Å |
| 976 | A | 71.7 | Confident | 66.7 | Low | 25 Ų | 25 | 69.3 Ų | 69.3 | 21% | 0.207 | 35% | 0.353 | C | S | . | . | H | α-helix | trans | -60.1 | -41.9 | 171.2 | 0 | 0 | 0 | 0 | 0 | 111.8 | L902 S972 L973 M979 W980 | L902-A976 HydrophobicContact CD2-CB 3.81Å; S972-A976 PolarHBondContact O-N 2.83Å; L973-A976 PolarHBondContact O-N 3.39Å; A976-M979 PolarHBondContact O-N 3.39Å; A976-W980 WeakPolarHBondContact O-CB 3.42Å; A976-W980 PolarHBondContact O-N 2.8Å |
| 977 | V | 76.5 | Confident | 66.9 | Low | 78 Ų | 78 | 72 Ų | 72 | 47% | 0.473 | 38% | 0.377 | S | S | . | . | H | α-helix | trans | -66.3 | -41.5 | 173.8 | 174.3 | 0 | 0 | 0 | 0 | 111.5 | L973 K974 F975 M979 W980 V981 | L973-V977 WeakPolarHBondContact O-CG2 3.07Å; L973-V977 PolarHBondContact O-N 2.81Å; K974-V977 PolarHBondContact O-N 3.16Å; F975-V977 VanDerWaalsContact C-N 3.33Å; F975-V977 PolarHBondContact O-N 2.75Å; V977-M979 VanDerWaalsContact C-N 3.35Å; V977-M979 PolarHBondContact O-N 3.45Å; V977-W980 PolarHBondContact O-N 3.23Å; V977-V981 WeakPolarHBondContact O-CG2 3.46Å; V977-V981 PolarHBondContact O-N 3.37Å |
| 978 | L | 68.2 | Low | 66.7 | Low | 109 Ų | 109 | 72.3 Ų | 72.3 | 57% | 0.571 | 38% | 0.378 | S | S | * | . | H | α-helix | trans | -62.3 | -40.2 | 174.4 | -73 | 169.9 | 0 | 0 | 0 | 112 | K974 F975 V981 F982 | K974-L978 WeakPolarHBondContact O-CG 3.48Å; K974-L978 PolarHBondContact O-N 2.93Å; F975-L978 PolarHBondContact O-N 2.79Å; L978-V981 PolarHBondContact O-N 2.9Å; L978-F982 WeakPolarHBondContact O-CB 3.37Å; L978-F982 PolarHBondContact O-N 3.5Å |
| 979 | M | 68.4 | Low | 66.5 | Low | 26 Ų | 26 | 70.9 Ų | 70.9 | 13% | 0.128 | 37% | 0.369 | C | S | . | . | H | α-helix | trans | -73.4 | -30.3 | 175.8 | -70.9 | -67 | 99 | 0 | 0 | 112.9 | A895 A898 L899 F975 A976 V977 F982 T983 | A895-M979 HydrophobicContact CB-SD 3.98Å; A898-M979 HydrophobicContact CB-SD 4.16Å; L899-M979 HydrophobicContact CD1-CB 4.17Å; L899-M979 HydrophobicContact CD2-CB 3.81Å; L899-M979 HydrophobicContact CG-CB 3.8Å; F975-M979 HydrophobicContact CD1-CG 4.21Å; F975-M979 HydrophobicContact CD2-CG 4.37Å; F975-M979 HydrophobicContact CE1-CG 3.83Å; F975-M979 HydrophobicContact CE1-SD 4.46Å; F975-M979 HydrophobicContact CE2-CE 3.85Å; F975-M979 HydrophobicContact CE2-CG 4.01Å; F975-M979 HydrophobicContact CE2-SD 4.25Å; F975-M979 HydrophobicContact CG-CG 4.47Å; F975-M979 HydrophobicContact CZ-CE 4.07Å; F975-M979 HydrophobicContact CZ-CG 3.72Å; F975-M979 HydrophobicContact CZ-SD 3.88Å; F975-M979 WeakPolarHBondContact O-CB 3.26Å; F975-M979 WeakPolarHBondContact O-CG 3.44Å; F975-M979 PolarHBondContact O-N 2.96Å; A976-M979 PolarHBondContact O-N 3.39Å; V977-M979 VanDerWaalsContact C-N 3.35Å; V977-M979 PolarHBondContact O-N 3.45Å; M979-F982 HydrophobicContact CE-CB 3.95Å; M979-F982 HydrophobicContact CE-CD1 4.31Å; M979-F982 HydrophobicContact CE-CG 4.19Å; M979-F982 CarbonylContact O-C 3.41Å; M979-F982 PolarHBondContact O-N 2.82Å; M979-T983 WeakPolarHBondContact O-CB 3.32Å; M979-T983 PolarHBondContact O-N 3.5Å; M979-T983 PolarHBondContact O-OG1 3.45Å |
| 980 | W | 75.1 | Confident | 66.4 | Low | 175 Ų | 175 | 71.4 Ų | 71.4 | 66% | 0.663 | 37% | 0.372 | S | S | * | . | H | α-helix | trans | -65.9 | -44.6 | 169 | 178.8 | 76.2 | 0 | 0 | 0 | 111.1 | A976 V977 F982 T983 Y984 | A976-W980 WeakPolarHBondContact O-CB 3.42Å; A976-W980 PolarHBondContact O-N 2.8Å; V977-W980 PolarHBondContact O-N 3.23Å; W980-F982 VanDerWaalsContact C-N 3.32Å; W980-F982 PolarHBondContact O-N 3.32Å; W980-T983 WeakPolarHBondContact O-CB 3.21Å; W980-T983 PolarHBondContact O-N 2.76Å; W980-Y984 PolarHBondContact O-N 3.4Å |
| 981 | V | 68.7 | Low | 66.5 | Low | 69 Ų | 69 | 69 Ų | 69 | 42% | 0.418 | 37% | 0.367 | S | S | . | . | H | α-helix | trans | -61.7 | -40.1 | 169.9 | 173.3 | 0 | 0 | 0 | 0 | 110.9 | V977 L978 T983 Y984 V985 | V977-V981 WeakPolarHBondContact O-CG2 3.46Å; V977-V981 PolarHBondContact O-N 3.37Å; L978-V981 PolarHBondContact O-N 2.9Å; V981-T983 VanDerWaalsContact C-N 3.29Å; V981-T983 PolarHBondContact O-N 2.93Å; V981-Y984 CarbonylContact O-C 3.42Å; V981-Y984 WeakPolarHBondContact O-CA 3.38Å; V981-Y984 WeakPolarHBondContact O-CB 3.18Å; V981-Y984 PolarHBondContact O-N 3.49Å; V981-Y984 VanDerWaalsContact O-N 3.1Å; V981-V985 HydrophobicContact CG1-CG2 4.45Å; V981-V985 WeakPolarHBondContact O-CG2 3.34Å; V981-V985 PolarHBondContact O-N 2.81Å |
| 982 | F | 63.4 | Low | 66.8 | Low | 84 Ų | 84 | 69.4 Ų | 69.4 | 37% | 0.368 | 37% | 0.368 | S | S | . | . | H | α-helix | trans | -69.1 | -27.7 | 177.2 | -149.9 | -112.9 | 0 | 0 | 0 | 112.6 | V891 A895 L978 M979 W980 V985 G986 | V891-F982 HydrophobicContact CB-CE1 4.19Å; V891-F982 HydrophobicContact CG1-CD1 3.91Å; V891-F982 HydrophobicContact CG1-CE1 3.59Å; V891-F982 HydrophobicContact CG1-CZ 3.96Å; V891-F982 WeakPolarHBondContact O-CD1 3.32Å; A895-F982 HydrophobicContact CB-CD1 4.16Å; L978-F982 WeakPolarHBondContact O-CB 3.37Å; L978-F982 PolarHBondContact O-N 3.5Å; M979-F982 HydrophobicContact CE-CB 3.95Å; M979-F982 HydrophobicContact CE-CD1 4.31Å; M979-F982 HydrophobicContact CE-CG 4.19Å; M979-F982 CarbonylContact O-C 3.41Å; M979-F982 PolarHBondContact O-N 2.82Å; W980-F982 VanDerWaalsContact C-N 3.32Å; W980-F982 PolarHBondContact O-N 3.32Å; F982-V985 HydrophobicContact CD2-CB 4.47Å; F982-V985 CarbonylContact O-C 3.48Å; F982-V985 PolarHBondContact O-N 2.93Å; F982-G986 PolarHBondContact O-N 3.09Å |
| 983 | T | 68.7 | Low | 67 | Low | 28 Ų | 28 | 72 Ų | 72 | 17% | 0.172 | 38% | 0.384 | C | S | . | . | H | α-helix | trans | -67.6 | -39.6 | 168.8 | -56 | 0 | 0 | 0 | 0 | 110.6 | Y896 M979 W980 V981 G986 A987 | Y896-T983 HydrophobicContact CE1-CG2 3.89Å; Y896-T983 HydrophobicContact CE2-CG2 4.21Å; Y896-T983 VanDerWaalsContact OH-CG2 3.26Å; Y896-T983 WeakPolarHBondContact OH-CG2 3.4Å; M979-T983 WeakPolarHBondContact O-CB 3.32Å; M979-T983 PolarHBondContact O-N 3.5Å; M979-T983 PolarHBondContact O-OG1 3.45Å; W980-T983 WeakPolarHBondContact O-CB 3.21Å; W980-T983 PolarHBondContact O-N 2.76Å; V981-T983 VanDerWaalsContact C-N 3.29Å; V981-T983 PolarHBondContact O-N 2.93Å; T983-G986 CarbonylContact O-C 3.49Å; T983-G986 WeakPolarHBondContact O-CA 3.43Å; T983-G986 PolarHBondContact O-N 3.14Å; T983-A987 PolarHBondContact O-N 2.88Å |
| 984 | Y | 65.4 | Low | 67.1 | Low | 158 Ų | 158 | 71.9 Ų | 71.9 | 62% | 0.62 | 38% | 0.383 | S | S | * | . | H | α-helix | trans | -69.6 | -31.4 | 170.7 | -167.5 | -91.8 | 0 | 0 | 0 | 112.8 | W980 V981 G986 A987 L988 | W980-Y984 PolarHBondContact O-N 3.4Å; V981-Y984 CarbonylContact O-C 3.42Å; V981-Y984 WeakPolarHBondContact O-CA 3.38Å; V981-Y984 WeakPolarHBondContact O-CB 3.18Å; V981-Y984 PolarHBondContact O-N 3.49Å; V981-Y984 VanDerWaalsContact O-N 3.1Å; Y984-G986 PolarHBondContact O-N 3.24Å; Y984-A987 CarbonylContact O-C 3.55Å; Y984-A987 WeakPolarHBondContact O-CA 3.35Å; Y984-A987 VanDerWaalsContact O-CB 3.3Å; Y984-A987 WeakPolarHBondContact O-CB 3.44Å; Y984-A987 PolarHBondContact O-N 2.84Å; Y984-L988 PolarHBondContact O-N 2.88Å; Y984-L988 VanDerWaalsContact O-N 3.09Å |
| 985 | V | 60.8 | Low | 67.3 | Low | 54 Ų | 54 | 70.5 Ų | 70.5 | 33% | 0.327 | 38% | 0.381 | S | S | . | . | H | α-helix | trans | -67.2 | -27.1 | 166.4 | 177.4 | 0 | 0 | 0 | 0 | 110.8 | V981 F982 A987 L988 | V981-V985 HydrophobicContact CG1-CG2 4.45Å; V981-V985 WeakPolarHBondContact O-CG2 3.34Å; V981-V985 PolarHBondContact O-N 2.81Å; F982-V985 HydrophobicContact CD2-CB 4.47Å; F982-V985 CarbonylContact O-C 3.48Å; F982-V985 PolarHBondContact O-N 2.93Å; V985-A987 PolarHBondContact O-N 3.39Å; V985-L988 HydrophobicContact CG1-CB 4.48Å; V985-L988 HydrophobicContact CG2-CD1 4.16Å; V985-L988 CarbonylContact O-C 3.58Å; V985-L988 VanDerWaalsContact O-CA 3.29Å; V985-L988 WeakPolarHBondContact O-CA 3.41Å; V985-L988 WeakPolarHBondContact O-CB 3.21Å; V985-L988 PolarHBondContact O-N 3.28Å |
| 986 | G | 60.8 | Low | 67.7 | Low | 14 Ų | 14 | 70.9 Ų | 70.9 | 14% | 0.144 | 38% | 0.384 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -66.1 | -11.4 | 163.1 | 0 | 0 | 0 | 0 | 0 | 114.7 | F982 T983 Y984 F989 | F982-G986 PolarHBondContact O-N 3.09Å; T983-G986 CarbonylContact O-C 3.49Å; T983-G986 WeakPolarHBondContact O-CA 3.43Å; T983-G986 PolarHBondContact O-N 3.14Å; Y984-G986 PolarHBondContact O-N 3.24Å; G986-F989 WeakPolarHBondContact O-CD2 3.35Å; G986-F989 WeakPolarHBondContact O-CE2 3.35Å |
| 987 | A | 61.6 | Low | 68.1 | Low | 71 Ų | 71 | 73.8 Ų | 73.8 | 59% | 0.587 | 40% | 0.395 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -94.5 | -20.1 | 161.1 | 0 | 0 | 0 | 0 | 0 | 112.1 | T983 Y984 V985 F989 | T983-A987 PolarHBondContact O-N 2.88Å; Y984-A987 CarbonylContact O-C 3.55Å; Y984-A987 WeakPolarHBondContact O-CA 3.35Å; Y984-A987 VanDerWaalsContact O-CB 3.3Å; Y984-A987 WeakPolarHBondContact O-CB 3.44Å; Y984-A987 PolarHBondContact O-N 2.84Å; V985-A987 PolarHBondContact O-N 3.39Å; A987-F989 PolarHBondContact O-N 2.8Å |
| 988 | L | 56.1 | Low | 68.3 | Low | 86 Ų | 86 | 72.6 Ų | 72.6 | 45% | 0.45 | 39% | 0.394 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -75.4 | 28.7 | 170.3 | -57.8 | -179.9 | 0 | 0 | 0 | 113.9 | Y984 V985 N990 G991 | Y984-L988 PolarHBondContact O-N 2.88Å; Y984-L988 VanDerWaalsContact O-N 3.09Å; V985-L988 HydrophobicContact CG1-CB 4.48Å; V985-L988 HydrophobicContact CG2-CD1 4.16Å; V985-L988 CarbonylContact O-C 3.58Å; V985-L988 VanDerWaalsContact O-CA 3.29Å; V985-L988 WeakPolarHBondContact O-CA 3.41Å; V985-L988 WeakPolarHBondContact O-CB 3.21Å; V985-L988 PolarHBondContact O-N 3.28Å; L988-N990 PolarHBondContact O-N 2.86Å; L988-G991 PolarHBondContact O-N 2.72Å |
| 989 | F | 55.9 | Low | 69 | Low | 41 Ų | 41 | 68.7 Ų | 68.7 | 18% | 0.18 | 37% | 0.373 | C | S | . | . | H | α-helix | trans | -56 | -10.9 | 156.5 | -78 | -68.7 | 0 | 0 | 0 | 112.6 | T886 S889 G986 A987 G991 L992 T993 | T886-F989 WeakPolarHBondContact O-CE1 3.08Å; S889-F989 WeakPolarHBondContact OG-CE2 3.26Å; S889-F989 WeakPolarHBondContact OG-CZ 3.15Å; G986-F989 WeakPolarHBondContact O-CD2 3.35Å; G986-F989 WeakPolarHBondContact O-CE2 3.35Å; A987-F989 PolarHBondContact O-N 2.8Å; F989-G991 VanDerWaalsContact C-N 3.25Å; F989-G991 PolarHBondContact O-N 3.31Å; F989-L992 HydrophobicContact CD1-CB 4.1Å; F989-L992 HydrophobicContact CD1-CD2 3.95Å; F989-L992 HydrophobicContact CE1-CD2 3.85Å; F989-L992 PolarHBondContact O-N 2.89Å; F989-T993 WeakPolarHBondContact O-CA 3.38Å; F989-T993 WeakPolarHBondContact O-CB 3.48Å; F989-T993 PolarHBondContact O-N 3.12Å; F989-T993 PolarHBondContact O-OG1 3.32Å |
| 990 | N | 62.8 | Low | 69.6 | Low | 109 Ų | 109 | 70.3 Ų | 70.3 | 58% | 0.583 | 38% | 0.382 | S | S | * | . | H | α-helix | trans | -47.9 | -44.4 | 160.4 | -168.9 | 18.8 | 0 | 0 | 0 | 112.7 | L988 T993 L994 | L988-N990 PolarHBondContact O-N 2.86Å; N990-T993 CarbonylContact O-C 3.22Å; N990-T993 WeakPolarHBondContact O-CB 3.41Å; N990-T993 PolarHBondContact O-N 3.23Å; N990-L994 WeakPolarHBondContact O-CG 3.32Å; N990-L994 PolarHBondContact O-N 2.98Å |
| 991 | G | 65.5 | Low | 69.9 | Low | 45 Ų | 45 | 64.3 Ų | 64.3 | 46% | 0.464 | 37% | 0.367 | S | S | . | . | H | α-helix | trans | -70.4 | -38.7 | 179.2 | 0 | 0 | 0 | 0 | 0 | 113.7 | L988 F989 T993 L994 L995 | L988-G991 PolarHBondContact O-N 2.72Å; F989-G991 VanDerWaalsContact C-N 3.25Å; F989-G991 PolarHBondContact O-N 3.31Å; G991-T993 VanDerWaalsContact C-N 3.33Å; G991-L994 WeakPolarHBondContact O-CB 3.17Å; G991-L994 PolarHBondContact O-N 3.06Å; G991-L995 PolarHBondContact O-N 3.34Å; G991-L995 VanDerWaalsContact O-N 3.12Å |
| 992 | L | 71.2 | Confident | 70.6 | Confident | 40 Ų | 40 | 65.8 Ų | 65.8 | 21% | 0.209 | 37% | 0.372 | C | S | . | . | H | α-helix | trans | -76.7 | -25 | 175.4 | -157.8 | 60.1 | 0 | 0 | 0 | 111.7 | L885 T886 F989 L995 I996 | L885-L992 HydrophobicContact CB-CD2 4.47Å; L885-L992 HydrophobicContact CG-CD2 4.36Å; L885-L992 WeakPolarHBondContact O-CD2 3.15Å; T886-L992 HydrophobicContact CG2-CB 4.2Å; T886-L992 HydrophobicContact CG2-CD2 3.46Å; T886-L992 VanDerWaalsContact CG2-CD2 3.46Å; T886-L992 HydrophobicContact CG2-CG 3.54Å; F989-L992 HydrophobicContact CD1-CB 4.1Å; F989-L992 HydrophobicContact CD1-CD2 3.95Å; F989-L992 HydrophobicContact CE1-CD2 3.85Å; F989-L992 PolarHBondContact O-N 2.89Å; L992-L995 HydrophobicContact CD1-CB 4.28Å; L992-L995 HydrophobicContact CD1-CD2 3.81Å; L992-L995 WeakPolarHBondContact O-CB 3.28Å; L992-L995 PolarHBondContact O-N 3.42Å; L992-I996 WeakPolarHBondContact O-CG1 3.47Å; L992-I996 PolarHBondContact O-N 2.83Å |
| 993 | T | 71.6 | Confident | 71.4 | Confident | 56 Ų | 56 | 62.7 Ų | 62.7 | 34% | 0.344 | 36% | 0.358 | S | S | . | . | H | α-helix | trans | -67.8 | -38.4 | 166.3 | -61.1 | 0 | 0 | 0 | 0 | 110.5 | F989 N990 G991 L995 I996 L997 | F989-T993 WeakPolarHBondContact O-CA 3.38Å; F989-T993 WeakPolarHBondContact O-CB 3.48Å; F989-T993 PolarHBondContact O-N 3.12Å; F989-T993 PolarHBondContact O-OG1 3.32Å; N990-T993 CarbonylContact O-C 3.22Å; N990-T993 WeakPolarHBondContact O-CB 3.41Å; N990-T993 PolarHBondContact O-N 3.23Å; G991-T993 VanDerWaalsContact C-N 3.33Å; T993-L995 VanDerWaalsContact C-N 3.26Å; T993-L995 PolarHBondContact O-N 2.92Å; T993-I996 PolarHBondContact O-N 3.33Å; T993-L997 HydrophobicContact CG2-CD1 3.91Å; T993-L997 HydrophobicContact CG2-CG 4.18Å; T993-L997 VanDerWaalsContact O-CB 3.24Å; T993-L997 WeakPolarHBondContact O-CB 3.23Å; T993-L997 WeakPolarHBondContact O-CG 3.23Å; T993-L997 PolarHBondContact O-N 2.91Å |
| 994 | L | 75.8 | Confident | 71.8 | Confident | 107 Ų | 107 | 63.9 Ų | 63.9 | 56% | 0.56 | 37% | 0.368 | S | S | * | . | H | α-helix | trans | -62.6 | -33 | 168.9 | -71.4 | 176.5 | 0 | 0 | 0 | 112 | N990 G991 A998 | N990-L994 WeakPolarHBondContact O-CG 3.32Å; N990-L994 PolarHBondContact O-N 2.98Å; G991-L994 WeakPolarHBondContact O-CB 3.17Å; G991-L994 PolarHBondContact O-N 3.06Å; L994-A998 WeakPolarHBondContact O-CB 3.24Å; L994-A998 PolarHBondContact O-N 3.36Å |
| 995 | L | 76.1 | Confident | 72.4 | Confident | 90 Ų | 90 | 61.3 Ų | 61.3 | 47% | 0.471 | 36% | 0.364 | S | S | . | . | H | α-helix | trans | -70.9 | -42.8 | 172.8 | -170 | 69.1 | 0 | 0 | 0 | 112.4 | L882 G991 L992 T993 A998 L999 | L882-L995 HydrophobicContact CD2-CD2 3.93Å; L882-L995 HydrophobicContact CD2-CG 3.81Å; L882-L995 HydrophobicContact CG-CD2 4.35Å; G991-L995 PolarHBondContact O-N 3.34Å; G991-L995 VanDerWaalsContact O-N 3.12Å; L992-L995 HydrophobicContact CD1-CB 4.28Å; L992-L995 HydrophobicContact CD1-CD2 3.81Å; L992-L995 WeakPolarHBondContact O-CB 3.28Å; L992-L995 PolarHBondContact O-N 3.42Å; T993-L995 VanDerWaalsContact C-N 3.26Å; T993-L995 PolarHBondContact O-N 2.92Å; L995-A998 PolarHBondContact O-N 3.3Å; L995-L999 PolarHBondContact O-N 2.91Å |
| 996 | I | 77.9 | Confident | 73.2 | Confident | 23 Ų | 23 | 59.6 Ų | 59.6 | 12% | 0.118 | 35% | 0.354 | C | S | . | . | H | α-helix | trans | -57.7 | -50.5 | 170.6 | -67.3 | 159.8 | 0 | 0 | 0 | 110 | L879 L882 T886 L992 T993 A998 L999 I1000 | L879-I996 HydrophobicContact CD1-CG2 3.92Å; L882-I996 HydrophobicContact CB-CG1 4.48Å; T886-I996 HydrophobicContact CG2-CD1 3.4Å; T886-I996 VanDerWaalsContact CG2-CD1 3.4Å; T886-I996 HydrophobicContact CG2-CG1 4.07Å; L992-I996 WeakPolarHBondContact O-CG1 3.47Å; L992-I996 PolarHBondContact O-N 2.83Å; T993-I996 PolarHBondContact O-N 3.33Å; I996-A998 VanDerWaalsContact C-N 3.29Å; I996-A998 PolarHBondContact O-N 2.94Å; I996-L999 PolarHBondContact O-N 2.88Å; I996-L999 VanDerWaalsContact O-N 3.16Å; I996-I1000 HydrophobicContact CG2-CD1 3.52Å; I996-I1000 HydrophobicContact CG2-CG1 4.1Å; I996-I1000 WeakPolarHBondContact O-CB 3.39Å; I996-I1000 VanDerWaalsContact O-CG1 3.31Å; I996-I1000 WeakPolarHBondContact O-CG1 3.42Å; I996-I1000 PolarHBondContact O-N 2.78Å |
| 997 | L | 80.3 | Confident | 73.9 | Confident | 86 Ų | 86 | 60.3 Ų | 60.3 | 45% | 0.45 | 36% | 0.355 | S | S | . | . | H | α-helix | trans | -63.9 | -34 | -180 | -73 | 172 | 0 | 0 | 0 | 111.5 | T993 S1001 | T993-L997 HydrophobicContact CG2-CD1 3.91Å; T993-L997 HydrophobicContact CG2-CG 4.18Å; T993-L997 VanDerWaalsContact O-CB 3.24Å; T993-L997 WeakPolarHBondContact O-CB 3.23Å; T993-L997 WeakPolarHBondContact O-CG 3.23Å; T993-L997 PolarHBondContact O-N 2.91Å; L997-S1001 WeakPolarHBondContact O-CA 3.46Å; L997-S1001 WeakPolarHBondContact O-CB 3.42Å; L997-S1001 PolarHBondContact O-N 3.2Å; L997-S1001 PolarHBondContact O-OG 3.22Å |
| 998 | A | 79.9 | Confident | 74.7 | Confident | 53 Ų | 53 | 60.6 Ų | 60.6 | 44% | 0.438 | 35% | 0.346 | S | S | . | . | H | α-helix | trans | -67.1 | -43.4 | 172.3 | 0 | 0 | 0 | 0 | 0 | 111.6 | L994 L995 I996 S1001 L1002 | L994-A998 WeakPolarHBondContact O-CB 3.24Å; L994-A998 PolarHBondContact O-N 3.36Å; L995-A998 PolarHBondContact O-N 3.3Å; I996-A998 VanDerWaalsContact C-N 3.29Å; I996-A998 PolarHBondContact O-N 2.94Å; A998-S1001 PolarHBondContact O-N 2.75Å; A998-L1002 WeakPolarHBondContact O-CB 3.3Å; A998-L1002 PolarHBondContact O-N 3.17Å |
| 999 | L | 82.1 | Confident | 75.9 | Confident | 27 Ų | 27 | 60.7 Ų | 60.7 | 14% | 0.141 | 34% | 0.341 | C | S | . | . | H | α-helix | trans | -65.3 | -47 | 175.7 | -174.7 | 70.5 | 0 | 0 | 0 | 111.7 | F875 S878 L879 L882 L995 I996 L1002 F1003 | F875-L999 HydrophobicContact CE2-CG 4.41Å; S878-L999 WeakPolarHBondContact OG-CD2 3.41Å; L879-L999 HydrophobicContact CB-CD2 4.41Å; L882-L999 HydrophobicContact CD1-CD2 4.47Å; L882-L999 HydrophobicContact CD2-CB 4.27Å; L882-L999 HydrophobicContact CD2-CD2 3.91Å; L995-L999 PolarHBondContact O-N 2.91Å; I996-L999 PolarHBondContact O-N 2.88Å; I996-L999 VanDerWaalsContact O-N 3.16Å; L999-L1002 PolarHBondContact O-N 3.42Å; L999-F1003 HydrophobicContact CD1-CD2 3.96Å; L999-F1003 HydrophobicContact CD1-CE2 3.75Å; L999-F1003 HydrophobicContact CG-CD2 4.38Å; L999-F1003 WeakPolarHBondContact O-CD2 3.48Å; L999-F1003 PolarHBondContact O-N 3.32Å; L999-F1003 VanDerWaalsContact O-N 3.1Å |
| 1000 | I | 82.6 | Confident | 77.1 | Confident | 60 Ų | 60 | 64.9 Ų | 64.9 | 31% | 0.308 | 36% | 0.361 | S | S | . | . | H | α-helix | trans | -59.9 | -46.7 | 174.5 | -67.1 | 175.2 | 0 | 0 | 0 | 109.7 | F875 L879 I996 L1002 F1003 S1004 | F875-I1000 HydrophobicContact CZ-CG1 4.18Å; L879-I1000 HydrophobicContact CD1-CD1 4.23Å; L879-I1000 HydrophobicContact CD1-CG1 4.08Å; I996-I1000 HydrophobicContact CG2-CD1 3.52Å; I996-I1000 HydrophobicContact CG2-CG1 4.1Å; I996-I1000 WeakPolarHBondContact O-CB 3.39Å; I996-I1000 VanDerWaalsContact O-CG1 3.31Å; I996-I1000 WeakPolarHBondContact O-CG1 3.42Å; I996-I1000 PolarHBondContact O-N 2.78Å; I1000-L1002 VanDerWaalsContact C-N 3.35Å; I1000-L1002 PolarHBondContact O-N 3.21Å; I1000-F1003 PolarHBondContact O-N 2.82Å; I1000-S1004 WeakPolarHBondContact O-CA 3.42Å; I1000-S1004 WeakPolarHBondContact O-CB 3.28Å; I1000-S1004 PolarHBondContact O-N 3.38Å |
| 1001 | S | 81.9 | Confident | 77.9 | Confident | 50 Ų | 50 | 68.6 Ų | 68.6 | 35% | 0.35 | 37% | 0.367 | S | S | . | . | H | α-helix | trans | -60.9 | -43.8 | 177.6 | -64.8 | 0 | 0 | 0 | 0 | 111.6 | L997 A998 F1003 S1004 I1005 | L997-S1001 WeakPolarHBondContact O-CA 3.46Å; L997-S1001 WeakPolarHBondContact O-CB 3.42Å; L997-S1001 PolarHBondContact O-N 3.2Å; L997-S1001 PolarHBondContact O-OG 3.22Å; A998-S1001 PolarHBondContact O-N 2.75Å; S1001-F1003 VanDerWaalsContact C-N 3.35Å; S1001-F1003 PolarHBondContact O-N 2.94Å; S1001-S1004 PolarHBondContact O-N 2.81Å; S1001-I1005 WeakPolarHBondContact O-CB 3.31Å; S1001-I1005 WeakPolarHBondContact O-CG1 3.43Å; S1001-I1005 PolarHBondContact O-N 2.88Å |
| 1002 | L | 83.2 | Confident | 78.6 | Confident | 99 Ų | 99 | 70 Ų | 70 | 52% | 0.518 | 36% | 0.361 | S | S | . | . | H | α-helix | trans | -59.9 | -43.8 | -180 | -174.2 | 57.3 | 0 | 0 | 0 | 111.5 | L863 A998 L999 I1000 P1006 | L863-L1002 HydrophobicContact CD1-CD1 4.42Å; L863-L1002 HydrophobicContact CD1-CG 3.87Å; L863-L1002 WeakPolarHBondContact CD1-O 3.15Å; L863-L1002 HydrophobicContact CD2-CD1 4.04Å; L863-L1002 HydrophobicContact CD2-CG 4.4Å; L863-L1002 WeakPolarHBondContact CD2-O 3.43Å; L863-L1002 WeakPolarHBondContact CG-O 3.19Å; A998-L1002 WeakPolarHBondContact O-CB 3.3Å; A998-L1002 PolarHBondContact O-N 3.17Å; L999-L1002 PolarHBondContact O-N 3.42Å; I1000-L1002 VanDerWaalsContact C-N 3.35Å; I1000-L1002 PolarHBondContact O-N 3.21Å; L1002-P1006 WeakPolarHBondContact O-CD 3.45Å |
| 1003 | F | 79.3 | Confident | 79 | Confident | 20 Ų | 20 | 72.9 Ų | 72.9 | 9% | 0.088 | 37% | 0.373 | C | S | . | . | H | α-helix | trans | -85.1 | -17.8 | 178.1 | -81.1 | -94 | 0 | 0 | 0 | 115.2 | L862 L863 W865 F875 L999 I1000 S1001 | L862-F1003 HydrophobicContact CD2-CE1 3.77Å; L862-F1003 HydrophobicContact CD2-CZ 3.79Å; L862-F1003 HydrophobicContact CG-CE1 3.99Å; L863-F1003 HydrophobicContact CD1-CB 4.49Å; L863-F1003 HydrophobicContact CD1-CD1 3.83Å; L863-F1003 HydrophobicContact CD1-CD2 3.87Å; L863-F1003 HydrophobicContact CD1-CE1 3.95Å; L863-F1003 HydrophobicContact CD1-CE2 4Å; L863-F1003 HydrophobicContact CD1-CG 3.8Å; L863-F1003 HydrophobicContact CD1-CZ 4.04Å; W865-F1003 PolarHBondContact NE1-O 2.88Å; F875-F1003 HydrophobicContact CB-CD1 4.04Å; F875-F1003 HydrophobicContact CB-CE1 4.14Å; F875-F1003 HydrophobicContact CB-CG 4.45Å; F875-F1003 HydrophobicContact CD2-CB 3.58Å; F875-F1003 AromaticContact CD2-CD1 3.84Å; F875-F1003 HydrophobicContact CD2-CD1 3.84Å; F875-F1003 AromaticContact CD2-CD2 3.58Å; F875-F1003 HydrophobicContact CD2-CD2 3.58Å; F875-F1003 HydrophobicContact CD2-CE1 4.4Å; F875-F1003 HydrophobicContact CD2-CE2 4.18Å; F875-F1003 AromaticContact CD2-CG 3.38Å; F875-F1003 HydrophobicContact CD2-CG 3.38Å; F875-F1003 HydrophobicContact CE2-CB 3.59Å; F875-F1003 HydrophobicContact CE2-CD2 4.02Å; F875-F1003 AromaticContact CE2-CG 3.88Å; F875-F1003 HydrophobicContact CE2-CG 3.88Å; F875-F1003 HydrophobicContact CG-CB 4.34Å; F875-F1003 HydrophobicContact CG-CD1 4.19Å; F875-F1003 HydrophobicContact CG-CG 4.15Å; F875-F1003 HydrophobicContact CZ-CB 4.36Å; L999-F1003 HydrophobicContact CD1-CD2 3.96Å; L999-F1003 HydrophobicContact CD1-CE2 3.75Å; L999-F1003 HydrophobicContact CG-CD2 4.38Å; L999-F1003 WeakPolarHBondContact O-CD2 3.48Å; L999-F1003 PolarHBondContact O-N 3.32Å; L999-F1003 VanDerWaalsContact O-N 3.1Å; I1000-F1003 PolarHBondContact O-N 2.82Å; S1001-F1003 VanDerWaalsContact C-N 3.35Å; S1001-F1003 PolarHBondContact O-N 2.94Å |
| 1004 | S | 77.1 | Confident | 79.5 | Confident | 53 Ų | 53 | 74.3 Ų | 74.3 | 37% | 0.371 | 39% | 0.391 | S | S | . | . | H | α-helix | trans | -102.2 | -29.2 | -176.3 | -172.2 | 0 | 0 | 0 | 0 | 113.4 | I1000 S1001 V1007 I1008 | I1000-S1004 WeakPolarHBondContact O-CA 3.42Å; I1000-S1004 WeakPolarHBondContact O-CB 3.28Å; I1000-S1004 PolarHBondContact O-N 3.38Å; S1001-S1004 PolarHBondContact O-N 2.81Å; S1004-V1007 PolarHBondContact O-N 2.84Å; S1004-I1008 WeakPolarHBondContact O-CB 3.13Å; S1004-I1008 VanDerWaalsContact O-CG2 3.26Å; S1004-I1008 WeakPolarHBondContact O-CG2 3.3Å; S1004-I1008 PolarHBondContact O-N 2.88Å |
| 1005 | I | 79.1 | Confident | 79.8 | Confident | 104 Ų | 104 | 74.8 Ų | 74.8 | 53% | 0.533 | 39% | 0.39 | S | S | . | . | H | α-helix | trans | -60.4 | -46.7 | 179.5 | -74.8 | 169.2 | 0 | 0 | 0 | 111.3 | S1001 V1007 Y1009 | S1001-I1005 WeakPolarHBondContact O-CB 3.31Å; S1001-I1005 WeakPolarHBondContact O-CG1 3.43Å; S1001-I1005 PolarHBondContact O-N 2.88Å; I1005-V1007 PolarHBondContact O-N 3.4Å; I1005-Y1009 WeakPolarHBondContact O-CB 3.09Å; I1005-Y1009 PolarHBondContact O-N 3.21Å |
| 1006 | P | 77.5 | Confident | 80.1 | Confident | 18 Ų | 18 | 72.9 Ų | 72.9 | 12% | 0.117 | 38% | 0.38 | C | S | . | . | H | α-helix | trans | -61.3 | -47 | 178.1 | -24.4 | 35.8 | 0 | 0 | 0 | 112.2 | L863 Y864 L1002 Y1009 E1010 | L863-P1006 HydrophobicContact CD2-CG 3.87Å; L863-P1006 HydrophobicContact CG-CG 4.05Å; Y864-P1006 HydrophobicContact CD1-CB 4.01Å; Y864-P1006 HydrophobicContact CE1-CB 3.89Å; Y864-P1006 HydrophobicContact CE2-CB 4.46Å; Y864-P1006 HydrophobicContact CG-CB 4.36Å; L1002-P1006 WeakPolarHBondContact O-CD 3.45Å; P1006-Y1009 PolarHBondContact O-N 2.95Å; P1006-E1010 WeakPolarHBondContact O-CB 3.22Å; P1006-E1010 PolarHBondContact O-N 3.39Å |
| 1007 | V | 75.5 | Confident | 80.6 | Confident | 29 Ų | 29 | 74.8 Ų | 74.8 | 18% | 0.176 | 39% | 0.391 | C | S | . | . | H | α-helix | trans | -68.8 | -40.5 | -176.9 | -175.9 | 0 | 0 | 0 | 0 | 112.7 | W865 S1004 I1005 R1011 | W865-V1007 HydrophobicContact CB-CG2 4.05Å; W865-V1007 HydrophobicContact CG-CG2 3.76Å; S1004-V1007 PolarHBondContact O-N 2.84Å; I1005-V1007 PolarHBondContact O-N 3.4Å; V1007-R1011 WeakPolarHBondContact O-CB 2.89Å; V1007-R1011 WeakPolarHBondContact O-CG 3.46Å; V1007-R1011 PolarHBondContact O-N 2.6Å; V1007-R1011 VanDerWaalsContact O-N 3.14Å |
| 1008 | I | 76.8 | Confident | 80.9 | Confident | 77 Ų | 77 | 76.6 Ų | 76.6 | 40% | 0.395 | 40% | 0.397 | S | S | . | . | H | α-helix | trans | -72 | -34.6 | 177.2 | -157.2 | 73.3 | 0 | 0 | 0 | 110.7 | S1004 R1011 H1012 I1016 | S1004-I1008 WeakPolarHBondContact O-CB 3.13Å; S1004-I1008 VanDerWaalsContact O-CG2 3.26Å; S1004-I1008 WeakPolarHBondContact O-CG2 3.3Å; S1004-I1008 PolarHBondContact O-N 2.88Å; I1008-R1011 PolarHBondContact O-N 3.06Å; I1008-H1012 WeakPolarHBondContact O-CB 3.46Å; I1008-H1012 PolarHBondContact O-N 3.09Å; I1008-I1016 HydrophobicContact CG1-CD1 4.27Å; I1008-I1016 HydrophobicContact CG2-CD1 4.15Å; I1008-I1016 WeakPolarHBondContact O-CD1 3.43Å |
| 1009 | Y | 81.3 | Confident | 81.1 | Confident | 87 Ų | 87 | 81.9 Ų | 81.9 | 34% | 0.341 | 41% | 0.406 | S | S | . | . | H | α-helix | trans | -63.8 | -50.5 | 174.1 | -169.1 | -105.3 | 0 | 0 | 0 | 111.2 | I1005 P1006 R1011 H1012 Q1013 I1016 D1017 | I1005-Y1009 WeakPolarHBondContact O-CB 3.09Å; I1005-Y1009 PolarHBondContact O-N 3.21Å; P1006-Y1009 PolarHBondContact O-N 2.95Å; Y1009-R1011 VanDerWaalsContact C-N 3.29Å; Y1009-R1011 PolarHBondContact O-N 2.8Å; Y1009-H1012 PolarHBondContact O-N 3.2Å; Y1009-Q1013 HydrophobicContact CE1-CG 3.99Å; Y1009-Q1013 HydrophobicContact CE2-CG 4.2Å; Y1009-Q1013 WeakPolarHBondContact O-CA 3.27Å; Y1009-Q1013 VanDerWaalsContact O-CB 3.3Å; Y1009-Q1013 WeakPolarHBondContact O-CB 3Å; Y1009-Q1013 PolarHBondContact O-N 2.81Å; Y1009-Q1013 PolarHBondContact OH-NE2 3.44Å; Y1009-Q1013 VanDerWaalsContact OH-NE2 3.1Å; Y1009-I1016 HydrophobicContact CD2-CG2 4.09Å; Y1009-I1016 HydrophobicContact CE2-CG2 4.31Å; Y1009-D1017 VanDerWaalsContact CE2-OD1 3.28Å; Y1009-D1017 WeakPolarHBondContact CE2-OD1 3.39Å; Y1009-D1017 PolarHBondContact OH-OD1 3.38Å; Y1009-D1017 PolarHBondContact OH-OD2 3.22Å |
| 1010 | E | 81.2 | Confident | 81.2 | Confident | 130 Ų | 130 | 84.8 Ų | 84.8 | 61% | 0.607 | 42% | 0.422 | S | S | * | . | H | α-helix | trans | -58.4 | -38.8 | 178 | -171.6 | 176.2 | 178.5 | 0 | 0 | 112.6 | P1006 | P1006-E1010 WeakPolarHBondContact O-CB 3.22Å; P1006-E1010 PolarHBondContact O-N 3.39Å |
| 1011 | R | 80.9 | Confident | 81.4 | Confident | 186 Ų | 186 | 83.3 Ų | 83.3 | 70% | 0.702 | 42% | 0.421 | S | S | * | . | H | α-helix | trans | -80.4 | -29 | -179.9 | -70.8 | 176.5 | -177.5 | -95.1 | -3.3 | 114.9 | V1007 I1008 Y1009 | V1007-R1011 WeakPolarHBondContact O-CB 2.89Å; V1007-R1011 WeakPolarHBondContact O-CG 3.46Å; V1007-R1011 PolarHBondContact O-N 2.6Å; V1007-R1011 VanDerWaalsContact O-N 3.14Å; I1008-R1011 PolarHBondContact O-N 3.06Å; Y1009-R1011 VanDerWaalsContact C-N 3.29Å; Y1009-R1011 PolarHBondContact O-N 2.8Å |
| 1012 | H | 79.6 | Confident | 81.8 | Confident | 76 Ų | 76 | 85.2 Ų | 85.2 | 35% | 0.352 | 43% | 0.427 | S | S | . | . | H | α-helix | trans | -125.3 | 17.9 | -171.7 | -65.4 | -93.9 | 0 | 0 | 0 | 113.9 | I1008 Y1009 A1014 Q1015 I1016 | I1008-H1012 WeakPolarHBondContact O-CB 3.46Å; I1008-H1012 PolarHBondContact O-N 3.09Å; Y1009-H1012 PolarHBondContact O-N 3.2Å; H1012-A1014 PolarHBondContact O-N 2.8Å; H1012-A1014 VanDerWaalsContact O-N 3.17Å; H1012-Q1015 PolarHBondContact ND1-OE1 2.94Å; H1012-Q1015 WeakPolarHBondContact O-CA 3.28Å; H1012-Q1015 WeakPolarHBondContact O-CB 3.41Å; H1012-Q1015 PolarHBondContact O-N 3.43Å; H1012-I1016 HydrophobicContact CB-CD1 3.75Å; H1012-I1016 HydrophobicContact CB-CG1 4.01Å; H1012-I1016 PolarHBondContact O-N 2.84Å |
| 1013 | Q | 80.2 | Confident | 82 | Confident | 99 Ų | 99 | 82.8 Ų | 82.8 | 46% | 0.463 | 42% | 0.421 | S | S | . | . | H | α-helix | trans | -41.4 | -58.4 | -171.4 | -175.3 | 169.1 | 20.9 | 0 | 0 | 113.6 | Y1009 Q1015 I1016 D1017 | Y1009-Q1013 HydrophobicContact CE1-CG 3.99Å; Y1009-Q1013 HydrophobicContact CE2-CG 4.2Å; Y1009-Q1013 WeakPolarHBondContact O-CA 3.27Å; Y1009-Q1013 VanDerWaalsContact O-CB 3.3Å; Y1009-Q1013 WeakPolarHBondContact O-CB 3Å; Y1009-Q1013 PolarHBondContact O-N 2.81Å; Y1009-Q1013 PolarHBondContact OH-NE2 3.44Å; Y1009-Q1013 VanDerWaalsContact OH-NE2 3.1Å; Q1013-Q1015 VanDerWaalsContact C-N 3.26Å; Q1013-Q1015 PolarHBondContact O-N 3.45Å; Q1013-I1016 PolarHBondContact O-N 2.77Å; Q1013-D1017 WeakPolarHBondContact CG-OD2 3.43Å; Q1013-D1017 VanDerWaalsContact O-CB 3.31Å; Q1013-D1017 WeakPolarHBondContact O-CB 3.25Å; Q1013-D1017 PolarHBondContact O-N 3.43Å |
| 1014 | A | 82.3 | Confident | 82.4 | Confident | 86 Ų | 86 | 85 Ų | 85 | 71% | 0.711 | 43% | 0.434 | S | S | * | . | H | α-helix | trans | -62.4 | -28.2 | -177.5 | 0 | 0 | 0 | 0 | 0 | 114.3 | H1012 H1018 | H1012-A1014 PolarHBondContact O-N 2.8Å; H1012-A1014 VanDerWaalsContact O-N 3.17Å; A1014-H1018 WeakPolarHBondContact O-CB 3.16Å; A1014-H1018 PolarHBondContact O-N 2.95Å |
| 1015 | Q | 82 | Confident | 83.1 | Confident | 117 Ų | 117 | 89 Ų | 89 | 55% | 0.547 | 44% | 0.444 | S | S | . | . | H | α-helix | trans | -78.9 | -47.3 | 175.4 | -63.6 | 174.7 | -14.3 | 0 | 0 | 110.4 | H1012 Q1013 H1018 Y1019 | H1012-Q1015 PolarHBondContact ND1-OE1 2.94Å; H1012-Q1015 WeakPolarHBondContact O-CA 3.28Å; H1012-Q1015 WeakPolarHBondContact O-CB 3.41Å; H1012-Q1015 PolarHBondContact O-N 3.43Å; Q1013-Q1015 VanDerWaalsContact C-N 3.26Å; Q1013-Q1015 PolarHBondContact O-N 3.45Å; Q1015-H1018 PolarHBondContact O-N 3.23Å; Q1015-Y1019 WeakPolarHBondContact O-CD2 3.48Å; Q1015-Y1019 PolarHBondContact O-N 2.83Å; Q1015-Y1019 VanDerWaalsContact O-N 3.09Å |
| 1016 | I | 81.6 | Confident | 83.6 | Confident | 51 Ų | 51 | 87.5 Ų | 87.5 | 26% | 0.262 | 44% | 0.444 | S | S | . | . | H | α-helix | trans | -63.3 | -46.6 | 179.3 | -67.8 | 168.7 | 0 | 0 | 0 | 110.5 | I1008 Y1009 H1012 Q1013 H1018 Y1019 L1020 | I1008-I1016 HydrophobicContact CG1-CD1 4.27Å; I1008-I1016 HydrophobicContact CG2-CD1 4.15Å; I1008-I1016 WeakPolarHBondContact O-CD1 3.43Å; Y1009-I1016 HydrophobicContact CD2-CG2 4.09Å; Y1009-I1016 HydrophobicContact CE2-CG2 4.31Å; H1012-I1016 HydrophobicContact CB-CD1 3.75Å; H1012-I1016 HydrophobicContact CB-CG1 4.01Å; H1012-I1016 PolarHBondContact O-N 2.84Å; Q1013-I1016 PolarHBondContact O-N 2.77Å; I1016-H1018 VanDerWaalsContact C-N 3.26Å; I1016-H1018 PolarHBondContact O-N 3.28Å; I1016-Y1019 PolarHBondContact O-N 3.36Å; I1016-L1020 WeakPolarHBondContact O-CB 3.43Å; I1016-L1020 PolarHBondContact O-N 2.86Å |
| 1017 | D | 87.5 | Confident | 84.2 | Confident | 63 Ų | 63 | 91 Ų | 91 | 34% | 0.337 | 47% | 0.465 | S | S | . | . | H | α-helix | trans | -62.6 | -32.3 | 177.8 | -72.9 | -24.4 | 0 | 0 | 0 | 112.1 | Y1009 Q1013 G1021 | Y1009-D1017 VanDerWaalsContact CE2-OD1 3.28Å; Y1009-D1017 WeakPolarHBondContact CE2-OD1 3.39Å; Y1009-D1017 PolarHBondContact OH-OD1 3.38Å; Y1009-D1017 PolarHBondContact OH-OD2 3.22Å; Q1013-D1017 WeakPolarHBondContact CG-OD2 3.43Å; Q1013-D1017 VanDerWaalsContact O-CB 3.31Å; Q1013-D1017 WeakPolarHBondContact O-CB 3.25Å; Q1013-D1017 PolarHBondContact O-N 3.43Å; D1017-G1021 WeakPolarHBondContact O-CA 3.36Å; D1017-G1021 PolarHBondContact O-N 3.12Å |
| 1018 | H | 86.4 | Confident | 84.9 | Confident | 124 Ų | 124 | 96.1 Ų | 96.1 | 57% | 0.574 | 48% | 0.484 | S | S | * | . | H | α-helix | trans | -67 | -49.3 | 173 | 178.8 | -100.3 | 0 | 0 | 0 | 111.9 | A1014 Q1015 I1016 G1021 L1022 | A1014-H1018 WeakPolarHBondContact O-CB 3.16Å; A1014-H1018 PolarHBondContact O-N 2.95Å; Q1015-H1018 PolarHBondContact O-N 3.23Å; I1016-H1018 VanDerWaalsContact C-N 3.26Å; I1016-H1018 PolarHBondContact O-N 3.28Å; H1018-G1021 PolarHBondContact O-N 3.34Å; H1018-L1022 PolarHBondContact O-N 3.41Å |
| 1019 | Y | 84.4 | Confident | 85.7 | Confident | 163 Ų | 163 | 96.9 Ų | 96.9 | 64% | 0.639 | 49% | 0.489 | S | S | * | . | H | α-helix | trans | -68.6 | -40.3 | 177.9 | -72.9 | -66.7 | 0 | 0 | 0 | 112.7 | Q1015 I1016 G1021 L1022 A1023 | Q1015-Y1019 WeakPolarHBondContact O-CD2 3.48Å; Q1015-Y1019 PolarHBondContact O-N 2.83Å; Q1015-Y1019 VanDerWaalsContact O-N 3.09Å; I1016-Y1019 PolarHBondContact O-N 3.36Å; Y1019-G1021 VanDerWaalsContact C-N 3.32Å; Y1019-L1022 WeakPolarHBondContact O-CB 3.44Å; Y1019-L1022 PolarHBondContact O-N 2.95Å; Y1019-A1023 WeakPolarHBondContact O-CB 3.22Å; Y1019-A1023 PolarHBondContact O-N 3.22Å |
| 1020 | L | 84 | Confident | 86.1 | Confident | 89 Ų | 89 | 94.9 Ų | 94.9 | 47% | 0.466 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -65.9 | -35.7 | 174.2 | -178.7 | 60.5 | 0 | 0 | 0 | 111.2 | I1016 N1024 | I1016-L1020 WeakPolarHBondContact O-CB 3.43Å; I1016-L1020 PolarHBondContact O-N 2.86Å; L1020-N1024 WeakPolarHBondContact CD1-ND2 3.37Å; L1020-N1024 VanDerWaalsContact O-CB 3.22Å; L1020-N1024 WeakPolarHBondContact O-CB 3.18Å; L1020-N1024 PolarHBondContact O-N 2.78Å; L1020-N1024 PolarHBondContact O-ND2 3.25Å |
| 1021 | G | 87.7 | Confident | 86.3 | Confident | 29 Ų | 29 | 94.4 Ų | 94.4 | 30% | 0.299 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -66.7 | -36.7 | 172 | 0 | 0 | 0 | 0 | 0 | 112.9 | D1017 H1018 Y1019 K1025 | D1017-G1021 WeakPolarHBondContact O-CA 3.36Å; D1017-G1021 PolarHBondContact O-N 3.12Å; H1018-G1021 PolarHBondContact O-N 3.34Å; Y1019-G1021 VanDerWaalsContact C-N 3.32Å; G1021-K1025 WeakPolarHBondContact O-CD 3.39Å; G1021-K1025 VanDerWaalsContact O-CG 3.28Å; G1021-K1025 WeakPolarHBondContact O-CG 3.37Å; G1021-K1025 PolarHBondContact O-N 3.44Å |
| 1022 | L | 89.6 | Confident | 86.7 | Confident | 90 Ų | 90 | 88 Ų | 88 | 47% | 0.471 | 48% | 0.477 | S | S | . | . | H | α-helix | trans | -68.3 | -49.6 | 172.5 | -169.6 | 69 | 0 | 0 | 0 | 111.2 | H1018 Y1019 N1024 K1025 S1026 | H1018-L1022 PolarHBondContact O-N 3.41Å; Y1019-L1022 WeakPolarHBondContact O-CB 3.44Å; Y1019-L1022 PolarHBondContact O-N 2.95Å; L1022-N1024 VanDerWaalsContact C-N 3.34Å; L1022-N1024 PolarHBondContact O-N 3.46Å; L1022-K1025 WeakPolarHBondContact O-CB 3.47Å; L1022-K1025 PolarHBondContact O-N 3.22Å; L1022-K1025 VanDerWaalsContact O-N 3.09Å; L1022-S1026 PolarHBondContact O-N 3.38Å; L1022-S1026 PolarHBondContact O-OG 3.14Å |
| 1023 | A | 87.2 | Confident | 87.1 | Confident | 48 Ų | 48 | 91.2 Ų | 91.2 | 40% | 0.397 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -59.3 | -42.4 | 176.7 | 0 | 0 | 0 | 0 | 0 | 111.9 | Y1019 K1025 S1026 V1027 | Y1019-A1023 WeakPolarHBondContact O-CB 3.22Å; Y1019-A1023 PolarHBondContact O-N 3.22Å; A1023-K1025 VanDerWaalsContact C-N 3.31Å; A1023-K1025 PolarHBondContact O-N 3.15Å; A1023-S1026 PolarHBondContact O-N 2.68Å; A1023-V1027 WeakPolarHBondContact O-CB 3.22Å; A1023-V1027 WeakPolarHBondContact O-CG2 3.2Å; A1023-V1027 PolarHBondContact O-N 3.35Å |
| 1024 | N | 88.4 | Confident | 87.4 | Confident | 65 Ų | 65 | 91.2 Ų | 91.2 | 35% | 0.348 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -62.7 | -33.8 | 174.9 | -92.7 | -77.4 | 0 | 0 | 0 | 113.2 | L1020 L1022 K1028 | L1020-N1024 WeakPolarHBondContact CD1-ND2 3.37Å; L1020-N1024 VanDerWaalsContact O-CB 3.22Å; L1020-N1024 WeakPolarHBondContact O-CB 3.18Å; L1020-N1024 PolarHBondContact O-N 2.78Å; L1020-N1024 PolarHBondContact O-ND2 3.25Å; L1022-N1024 VanDerWaalsContact C-N 3.34Å; L1022-N1024 PolarHBondContact O-N 3.46Å; N1024-K1028 VanDerWaalsContact O-CB 3.25Å; N1024-K1028 WeakPolarHBondContact O-CB 3.25Å; N1024-K1028 WeakPolarHBondContact O-CD 3.5Å; N1024-K1028 WeakPolarHBondContact O-CG 3.22Å; N1024-K1028 PolarHBondContact O-N 2.9Å |
| 1025 | K | 92.6 | Very high | 87.3 | Confident | 137 Ų | 137 | 93.2 Ų | 93.2 | 60% | 0.596 | 49% | 0.487 | S | S | * | . | H | α-helix | trans | -65 | -50.8 | 172 | -69.9 | 161.6 | -173.5 | 172.4 | 0 | 109.9 | G1021 L1022 A1023 V1027 K1028 D1029 | G1021-K1025 WeakPolarHBondContact O-CD 3.39Å; G1021-K1025 VanDerWaalsContact O-CG 3.28Å; G1021-K1025 WeakPolarHBondContact O-CG 3.37Å; G1021-K1025 PolarHBondContact O-N 3.44Å; L1022-K1025 WeakPolarHBondContact O-CB 3.47Å; L1022-K1025 PolarHBondContact O-N 3.22Å; L1022-K1025 VanDerWaalsContact O-N 3.09Å; A1023-K1025 VanDerWaalsContact C-N 3.31Å; A1023-K1025 PolarHBondContact O-N 3.15Å; K1025-V1027 PolarHBondContact O-N 3.1Å; K1025-K1028 PolarHBondContact O-N 3.03Å; K1025-D1029 WeakPolarHBondContact O-CB 2.96Å; K1025-D1029 PolarHBondContact O-N 3.14Å |
| 1026 | S | 89.3 | Confident | 87.3 | Confident | 74 Ų | 74 | 91.9 Ų | 91.9 | 52% | 0.517 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -60.4 | -40 | 178.3 | -57.1 | 0 | 0 | 0 | 0 | 113.4 | L1022 A1023 A1030 | L1022-S1026 PolarHBondContact O-N 3.38Å; L1022-S1026 PolarHBondContact O-OG 3.14Å; A1023-S1026 PolarHBondContact O-N 2.68Å; S1026-A1030 VanDerWaalsContact O-CB 3.28Å; S1026-A1030 WeakPolarHBondContact O-CB 3.37Å; S1026-A1030 PolarHBondContact O-N 2.81Å |
| 1027 | V | 89.5 | Confident | 87 | Confident | 92 Ų | 92 | 98 Ų | 98 | 56% | 0.558 | 52% | 0.521 | S | S | * | . | H | α-helix | trans | -69.5 | -39.4 | 176 | 171.1 | 0 | 0 | 0 | 0 | 111.4 | A1023 K1025 A1030 M1031 | A1023-V1027 WeakPolarHBondContact O-CB 3.22Å; A1023-V1027 WeakPolarHBondContact O-CG2 3.2Å; A1023-V1027 PolarHBondContact O-N 3.35Å; K1025-V1027 PolarHBondContact O-N 3.1Å; V1027-A1030 PolarHBondContact O-N 3.41Å; V1027-M1031 WeakPolarHBondContact O-CB 3.15Å; V1027-M1031 PolarHBondContact O-N 3.1Å |
| 1028 | K | 91.2 | Very high | 86.4 | Confident | 135 Ų | 135 | 99.8 Ų | 99.8 | 59% | 0.587 | 53% | 0.529 | S | S | * | . | H | α-helix | trans | -66.9 | -39.6 | 174.3 | -74.8 | 169.6 | -175.3 | 177.3 | 0 | 111.9 | N1024 K1025 M1031 A1032 | N1024-K1028 VanDerWaalsContact O-CB 3.25Å; N1024-K1028 WeakPolarHBondContact O-CB 3.25Å; N1024-K1028 WeakPolarHBondContact O-CD 3.5Å; N1024-K1028 WeakPolarHBondContact O-CG 3.22Å; N1024-K1028 PolarHBondContact O-N 2.9Å; K1025-K1028 PolarHBondContact O-N 3.03Å; K1028-M1031 PolarHBondContact O-N 3.02Å; K1028-A1032 VanDerWaalsContact O-CB 3.22Å; K1028-A1032 WeakPolarHBondContact O-CB 3.48Å; K1028-A1032 PolarHBondContact O-N 3.12Å |
| 1029 | D | 93.1 | Very high | 84.9 | Confident | 93 Ų | 93 | 100 Ų | 100 | 50% | 0.497 | 54% | 0.541 | S | S | . | . | H | α-helix | trans | -66.6 | -40.2 | 174.2 | -75.5 | -13.1 | 0 | 0 | 0 | 111.9 | K1025 K1033 | K1025-D1029 WeakPolarHBondContact O-CB 2.96Å; K1025-D1029 PolarHBondContact O-N 3.14Å; D1029-K1033 WeakPolarHBondContact O-CB 3.41Å; D1029-K1033 WeakPolarHBondContact O-CD 3.31Å; D1029-K1033 WeakPolarHBondContact O-CG 3.18Å; D1029-K1033 PolarHBondContact O-N 3.02Å |
| 1030 | A | 88.8 | Confident | 83.9 | Confident | 45 Ų | 45 | 95.5 Ų | 95.5 | 37% | 0.372 | 55% | 0.545 | S | S | . | . | H | α-helix | trans | -64.6 | -47.6 | 173.7 | 0 | 0 | 0 | 0 | 0 | 111.1 | S1026 V1027 A1032 K1033 I1034 | S1026-A1030 VanDerWaalsContact O-CB 3.28Å; S1026-A1030 WeakPolarHBondContact O-CB 3.37Å; S1026-A1030 PolarHBondContact O-N 2.81Å; V1027-A1030 PolarHBondContact O-N 3.41Å; A1030-A1032 VanDerWaalsContact C-N 3.34Å; A1030-A1032 PolarHBondContact O-N 3.35Å; A1030-K1033 PolarHBondContact O-N 2.88Å; A1030-I1034 WeakPolarHBondContact O-CB 3.3Å; A1030-I1034 WeakPolarHBondContact O-CD1 3.12Å; A1030-I1034 VanDerWaalsContact O-CG1 3.23Å; A1030-I1034 WeakPolarHBondContact O-CG1 3.16Å; A1030-I1034 PolarHBondContact O-N 3.28Å |
| 1031 | M | 85.7 | Confident | 82.6 | Confident | 120 Ų | 120 | 97.4 Ų | 97.4 | 59% | 0.591 | 56% | 0.555 | S | S | * | * | H | α-helix | trans | -61.6 | -39.6 | 176.4 | -175.6 | 179.3 | 178.1 | 0 | 0 | 111.8 | V1027 K1028 I1034 Q1035 | V1027-M1031 WeakPolarHBondContact O-CB 3.15Å; V1027-M1031 PolarHBondContact O-N 3.1Å; K1028-M1031 PolarHBondContact O-N 3.02Å; M1031-I1034 PolarHBondContact O-N 2.69Å; M1031-Q1035 VanDerWaalsContact O-CB 3.25Å; M1031-Q1035 WeakPolarHBondContact O-CB 3.21Å; M1031-Q1035 PolarHBondContact O-N 3.3Å |
| 1032 | A | 89.5 | Confident | 80.9 | Confident | 53 Ų | 53 | 105.7 Ų | 105.7 | 44% | 0.438 | 58% | 0.582 | S | S | . | * | H | α-helix | trans | -66.3 | -41.8 | 175.1 | 0 | 0 | 0 | 0 | 0 | 111.8 | K1028 A1030 I1034 Q1035 A1036 | K1028-A1032 VanDerWaalsContact O-CB 3.22Å; K1028-A1032 WeakPolarHBondContact O-CB 3.48Å; K1028-A1032 PolarHBondContact O-N 3.12Å; A1030-A1032 VanDerWaalsContact C-N 3.34Å; A1030-A1032 PolarHBondContact O-N 3.35Å; A1032-I1034 VanDerWaalsContact C-N 3.34Å; A1032-Q1035 PolarHBondContact O-N 3.45Å; A1032-A1036 VanDerWaalsContact O-CB 3.22Å; A1032-A1036 WeakPolarHBondContact O-CB 3.4Å; A1032-A1036 PolarHBondContact O-N 3.36Å |
| 1033 | K | 88.5 | Confident | 79.2 | Confident | 143 Ų | 143 | 111.9 Ų | 111.9 | 62% | 0.622 | 60% | 0.6 | S | S | * | * | H | α-helix | trans | -64.4 | -36.4 | 173.6 | -73.2 | 163.8 | -174.6 | 168.9 | 0 | 112.2 | D1029 A1030 K1037 | D1029-K1033 WeakPolarHBondContact O-CB 3.41Å; D1029-K1033 WeakPolarHBondContact O-CD 3.31Å; D1029-K1033 WeakPolarHBondContact O-CG 3.18Å; D1029-K1033 PolarHBondContact O-N 3.02Å; A1030-K1033 PolarHBondContact O-N 2.88Å; K1033-K1037 WeakPolarHBondContact O-CB 3.4Å; K1033-K1037 WeakPolarHBondContact O-CG 3.22Å; K1033-K1037 PolarHBondContact O-N 2.89Å |
| 1034 | I | 86 | Confident | 77.3 | Confident | 99 Ų | 99 | 119.3 Ų | 119.3 | 51% | 0.508 | 62% | 0.623 | S | S | . | * | H | α-helix | trans | -69.9 | -48.4 | 174.5 | -70.1 | 162.9 | 0 | 0 | 0 | 110.2 | A1030 M1031 A1032 A1036 K1037 I1038 | A1030-I1034 WeakPolarHBondContact O-CB 3.3Å; A1030-I1034 WeakPolarHBondContact O-CD1 3.12Å; A1030-I1034 VanDerWaalsContact O-CG1 3.23Å; A1030-I1034 WeakPolarHBondContact O-CG1 3.16Å; A1030-I1034 PolarHBondContact O-N 3.28Å; M1031-I1034 PolarHBondContact O-N 2.69Å; A1032-I1034 VanDerWaalsContact C-N 3.34Å; I1034-A1036 VanDerWaalsContact C-N 3.34Å; I1034-A1036 PolarHBondContact O-N 3.29Å; I1034-K1037 CarbonylContact O-C 3.47Å; I1034-K1037 WeakPolarHBondContact O-CA 3.36Å; I1034-K1037 WeakPolarHBondContact O-CB 3.49Å; I1034-K1037 PolarHBondContact O-N 3.1Å; I1034-I1038 HydrophobicContact CG2-CD1 3.6Å; I1034-I1038 HydrophobicContact CG2-CG1 4.34Å; I1034-I1038 WeakPolarHBondContact O-CG1 3.39Å; I1034-I1038 PolarHBondContact O-N 2.81Å |
| 1035 | Q | 79.9 | Confident | 75.3 | Confident | 127 Ų | 127 | 121.1 Ų | 121.1 | 59% | 0.593 | 65% | 0.647 | S | S | * | * | H | α-helix | trans | -63.6 | -38 | 179.4 | -170 | 177.6 | 21.2 | 0 | 0 | 112.1 | M1031 A1032 K1037 I1038 | M1031-Q1035 VanDerWaalsContact O-CB 3.25Å; M1031-Q1035 WeakPolarHBondContact O-CB 3.21Å; M1031-Q1035 PolarHBondContact O-N 3.3Å; A1032-Q1035 PolarHBondContact O-N 3.45Å; Q1035-K1037 PolarHBondContact O-N 3.28Å; Q1035-I1038 PolarHBondContact O-N 3.43Å |
| 1036 | A | 82.1 | Confident | 72.6 | Confident | 90 Ų | 90 | 127.4 Ų | 127.4 | 74% | 0.744 | 68% | 0.679 | S | S | * | * | H | α-helix | trans | -66.4 | -21.1 | 172 | 0 | 0 | 0 | 0 | 0 | 113.3 | A1032 I1034 | A1032-A1036 VanDerWaalsContact O-CB 3.22Å; A1032-A1036 WeakPolarHBondContact O-CB 3.4Å; A1032-A1036 PolarHBondContact O-N 3.36Å; I1034-A1036 VanDerWaalsContact C-N 3.34Å; I1034-A1036 PolarHBondContact O-N 3.29Å |
| 1037 | K | 76.5 | Confident | 71.8 | Confident | 180 Ų | 180 | 130.1 Ų | 130.1 | 78% | 0.783 | 69% | 0.687 | S | S | * | * | H | α-helix | trans | -96.3 | -5.5 | 173.8 | -76.2 | -175.5 | 172.4 | -166.7 | 0 | 114.3 | K1033 I1034 Q1035 P1039 | K1033-K1037 WeakPolarHBondContact O-CB 3.4Å; K1033-K1037 WeakPolarHBondContact O-CG 3.22Å; K1033-K1037 PolarHBondContact O-N 2.89Å; I1034-K1037 CarbonylContact O-C 3.47Å; I1034-K1037 WeakPolarHBondContact O-CA 3.36Å; I1034-K1037 WeakPolarHBondContact O-CB 3.49Å; I1034-K1037 PolarHBondContact O-N 3.1Å; Q1035-K1037 PolarHBondContact O-N 3.28Å; K1037-P1039 VanDerWaalsContact C-CD 3.42Å; K1037-P1039 WeakPolarHBondContact O-CD 3.41Å |
| 1038 | I | 74 | Confident | 70.8 | Confident | 99 Ų | 99 | 132.1 Ų | 132.1 | 51% | 0.508 | 69% | 0.694 | S | S | . | * | S | Bend | trans | -111.8 | 80.6 | 175 | -59.9 | 173.3 | 0 | 0 | 0 | 109 | I1034 Q1035 G1040 | I1034-I1038 HydrophobicContact CG2-CD1 3.6Å; I1034-I1038 HydrophobicContact CG2-CG1 4.34Å; I1034-I1038 WeakPolarHBondContact O-CG1 3.39Å; I1034-I1038 PolarHBondContact O-N 2.81Å; Q1035-I1038 PolarHBondContact O-N 3.43Å; I1038-G1040 PolarHBondContact O-N 3.12Å |
| 1039 | P | 54.4 | Low | 69.7 | Low | 128 Ų | 128 | 131.9 Ų | 131.9 | 83% | 0.831 | 70% | 0.699 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -71.3 | 98.6 | 176.8 | 30.1 | -34.9 | 0 | 0 | 0 | 110.6 | K1037 | K1037-P1039 VanDerWaalsContact C-CD 3.42Å; K1037-P1039 WeakPolarHBondContact O-CD 3.41Å |
| 1040 | G | 64.3 | Low | 68.3 | Low | 69 Ų | 69 | 134.2 Ų | 134.2 | 71% | 0.711 | 71% | 0.711 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 165.2 | -34.8 | 168.8 | 0 | 0 | 0 | 0 | 0 | 115.6 | I1038 K1042 | I1038-G1040 PolarHBondContact O-N 3.12Å; G1040-K1042 VanDerWaalsContact C-N 3.28Å; G1040-K1042 PolarHBondContact O-N 2.65Å |
| 1041 | L | 56 | Low | 67.1 | Low | 130 Ų | 130 | 139.8 Ų | 139.8 | 68% | 0.681 | 73% | 0.733 | S | S | * | * | | | trans | -84.9 | 58.2 | -166.7 | -143.2 | 77.4 | 0 | 0 | 0 | 114.5 | R1043 | L1041-R1043 PolarHBondContact O-N 2.92Å; L1041-R1043 VanDerWaalsContact O-N 3.14Å |
| 1042 | K | 52.9 | Low | 65.8 | Low | 202 Ų | 202 | 141.1 Ų | 141.1 | 88% | 0.878 | 74% | 0.742 | S | S | * | * | | | trans | -70.3 | 99.4 | 157.4 | -83.3 | -164.1 | 175.8 | -173.3 | 0 | 108.8 | G1040 K1044 | G1040-K1042 VanDerWaalsContact C-N 3.28Å; G1040-K1042 PolarHBondContact O-N 2.65Å; K1042-K1044 PolarHBondContact O-N 2.86Å |
| 1043 | R | 53.1 | Low | 64.1 | Low | 221 Ų | 221 | 147.4 Ų | 147.4 | 83% | 0.834 | 76% | 0.764 | S | S | * | * | P | Polyproline II helix | trans | -58.6 | 124 | 154.5 | -72.4 | -172.5 | 174.7 | 117.2 | -0.9 | 107.2 | L1041 | L1041-R1043 PolarHBondContact O-N 2.92Å; L1041-R1043 VanDerWaalsContact O-N 3.14Å |
| 1044 | K | 47.8 | Very low | 62.3 | Low | 203 Ų | 203 | 147.8 Ų | 147.8 | 88% | 0.883 | 78% | 0.775 | S | S | * | * | P | Polyproline II helix | trans | -65.6 | 143.2 | 162.7 | -73.3 | -174.4 | 174.4 | -175.1 | 0 | 107.7 | K1042 | K1042-K1044 PolarHBondContact O-N 2.86Š|
| 1045 | A | 45.6 | Very low | 60.3 | Low | 104 Ų | 104 | 151.8 Ų | 151.8 | 86% | 0.86 | 80% | 0.797 | S | S | * | * | P | Polyproline II helix | trans | -89.1 | 144.5 | 159.8 | 0 | 0 | 0 | 0 | 0 | 108.2 | | |
| 1046 | E | 36.8 | Very low | 58.5 | Low | 269 Ų | 269 | 154.1 Ų | 154.1 | 100% | 1.257 | 82% | 0.815 | S | S | * | * | | | trans | -135.1 | 0 | 158.5 | -172.4 | 166.2 | 176 | 0 | 0 | 105.5 | | |