| 1 | M | 41.6 | Very low | 48.4 | Very low | 245 Ų | 245 | 159.4 Ų | 159.4 | 100% | 1.207 | 84% | 0.844 | S | S | * | * | | | | 0 | 105 | 0 | -80 | 175.3 | 164.6 | 0 | 0 | 109.3 | | |
| 2 | R | 47.6 | Very low | 47.5 | Very low | 253 Ų | 253 | 154.5 Ų | 154.5 | 96% | 0.955 | 83% | 0.832 | S | S | * | * | | | trans | -177.4 | 144 | 139.9 | -95.8 | -177.6 | -144.4 | 164.8 | 6.3 | 107.2 | | |
| 3 | V | 46.4 | Very low | 47.2 | Very low | 139 Ų | 139 | 152 Ų | 152 | 84% | 0.842 | 83% | 0.826 | S | S | * | * | | | trans | -91.3 | 140.3 | -147.1 | 172.9 | 0 | 0 | 0 | 0 | 111.2 | | |
| 4 | S | 41.7 | Very low | 47 | Very low | 113 Ų | 113 | 150.3 Ų | 150.3 | 79% | 0.79 | 82% | 0.822 | S | S | * | * | | | trans | -75.3 | 130.7 | 169.2 | -52.9 | 0 | 0 | 0 | 0 | 110.2 | | |
| 5 | E | 54.1 | Low | 46.8 | Very low | 176 Ų | 176 | 150.1 Ų | 150.1 | 82% | 0.822 | 81% | 0.814 | S | S | * | * | | | trans | -113.3 | 102.7 | 158.4 | -74.2 | -155 | 157.3 | 0 | 0 | 108.9 | | |
| 6 | L | 50.1 | Low | 46.3 | Very low | 159 Ų | 159 | 148.5 Ų | 148.5 | 83% | 0.832 | 80% | 0.803 | S | S | * | * | | | trans | -97.7 | 110.4 | 169.6 | -158.7 | 79.7 | 0 | 0 | 0 | 106.4 | | |
| 7 | I | 57.6 | Low | 45.9 | Very low | 151 Ų | 151 | 147.6 Ų | 147.6 | 77% | 0.774 | 80% | 0.797 | S | S | * | * | | | trans | -87.6 | 108.4 | 178.3 | -64 | 167.5 | 0 | 0 | 0 | 108.1 | | |
| 8 | T | 49.5 | Very low | 45.6 | Very low | 113 Ų | 113 | 147.4 Ų | 147.4 | 69% | 0.693 | 80% | 0.796 | S | S | * | * | | | trans | -93.9 | 126 | 173.6 | -23.7 | 0 | 0 | 0 | 0 | 109.4 | V10 | T8-V10 PolarHBondContact O-N 3.18Š|
| 9 | P | 50.9 | Low | 45.1 | Very low | 111 Ų | 111 | 143.6 Ų | 143.6 | 72% | 0.721 | 79% | 0.794 | S | S | * | * | | | trans | -74.7 | 127.4 | 171.8 | 28.1 | -30.5 | 0 | 0 | 0 | 110.6 | L11 | P9-L11 PolarHBondContact O-N 3.02Š|
| 10 | V | 49.5 | Very low | 44.9 | Very low | 135 Ų | 135 | 141.2 Ų | 141.2 | 82% | 0.818 | 79% | 0.794 | S | S | * | * | | | trans | -78.4 | 110.9 | 173 | 176.9 | 0 | 0 | 0 | 0 | 108.6 | T8 | T8-V10 PolarHBondContact O-N 3.18Š|
| 11 | L | 43.7 | Very low | 44.5 | Very low | 158 Ų | 158 | 144.6 Ų | 144.6 | 83% | 0.827 | 80% | 0.8 | S | S | * | * | | | trans | -76.8 | 117.2 | 158.2 | -93.6 | 90.5 | 0 | 0 | 0 | 107.8 | P9 | P9-L11 PolarHBondContact O-N 3.02Š|
| 12 | S | 37.7 | Very low | 44.6 | Very low | 101 Ų | 101 | 137.2 Ų | 137.2 | 71% | 0.706 | 78% | 0.778 | S | S | * | * | | | trans | -95.9 | 102.4 | 168.6 | 179.9 | 0 | 0 | 0 | 0 | 109 | | |
| 13 | T | 43.1 | Very low | 44.6 | Very low | 122 Ų | 122 | 129.9 Ų | 129.9 | 75% | 0.748 | 77% | 0.766 | S | S | * | * | | | trans | -78.4 | 126.1 | 157.5 | 16.6 | 0 | 0 | 0 | 0 | 108.8 | | |
| 14 | V | 44.5 | Very low | 44.7 | Very low | 128 Ų | 128 | 130.1 Ų | 130.1 | 78% | 0.776 | 76% | 0.762 | S | S | * | * | | | trans | -116.7 | 86.4 | 161.4 | -179.4 | 0 | 0 | 0 | 0 | 103.3 | | |
| 15 | E | 44.4 | Very low | 44.9 | Very low | 148 Ų | 148 | 132.1 Ų | 132.1 | 69% | 0.692 | 76% | 0.764 | S | S | * | * | | | | 35.1 | 94.3 | 88.3 | -71.1 | -115.2 | 146.2 | 0 | 0 | 110.6 | | |
| 16 | L | 38 | Very low | 44.4 | Very low | 124 Ų | 124 | 129.1 Ų | 129.1 | 65% | 0.649 | 76% | 0.763 | S | S | * | * | | | | 104.2 | 145.8 | 76.1 | -104.7 | 160.4 | 0 | 0 | 0 | 109.8 | | |
| 17 | L | 39.8 | Very low | 44 | Very low | 134 Ų | 134 | 126.3 Ų | 126.3 | 70% | 0.702 | 76% | 0.762 | S | S | * | * | | | trans | 70.4 | 139 | 162.6 | -91.6 | 66.9 | 0 | 0 | 0 | 114.5 | | |
| 18 | N | 40.4 | Very low | 43.1 | Very low | 144 Ų | 144 | 124.5 Ų | 124.5 | 77% | 0.77 | 76% | 0.763 | S | S | * | * | | | cis | -173.1 | 147.3 | 21.4 | -128.6 | -8.7 | 0 | 0 | 0 | 110 | | |
| 19 | G | 36.1 | Very low | 42.6 | Very low | 74 Ų | 74 | 125.9 Ų | 125.9 | 76% | 0.763 | 77% | 0.771 | S | S | * | * | | | trans | 81.1 | 144.8 | 154.4 | 0 | 0 | 0 | 0 | 0 | 116.5 | | |
| 20 | A | 42.2 | Very low | 42.1 | Very low | 95 Ų | 95 | 126.2 Ų | 126.2 | 79% | 0.785 | 78% | 0.777 | S | S | * | * | | | cis | -164.5 | 134.6 | 0.8 | 0 | 0 | 0 | 0 | 0 | 109.2 | | |
| 21 | K | 35.9 | Very low | 41.5 | Very low | 213 Ų | 213 | 126.7 Ų | 126.7 | 93% | 0.926 | 78% | 0.78 | S | S | * | * | | | | 44.7 | 100.7 | 128.8 | -152.9 | 173.3 | -169.8 | 172.4 | 0 | 119.6 | | |
| 22 | A | 43.5 | Very low | 41.3 | Very low | 91 Ų | 91 | 123.3 Ų | 123.3 | 75% | 0.752 | 78% | 0.775 | S | S | * | * | | | trans | -169.9 | 102.1 | 142.8 | 0 | 0 | 0 | 0 | 0 | 108.7 | | |
| 23 | S | 46.9 | Very low | 41.3 | Very low | 98 Ų | 98 | 123.8 Ų | 123.8 | 69% | 0.685 | 78% | 0.778 | S | S | * | * | | | | 93.6 | 124.6 | 94.5 | 78 | 0 | 0 | 0 | 0 | 114 | | |
| 24 | N | 48.5 | Very low | 41.1 | Very low | 145 Ų | 145 | 127.2 Ų | 127.2 | 78% | 0.775 | 79% | 0.786 | S | S | * | * | | | trans | 95.4 | 98.5 | 153 | -52.2 | -15 | 0 | 0 | 0 | 118.4 | | |
| 25 | N | 45.7 | Very low | 40.8 | Very low | 154 Ų | 154 | 125.7 Ų | 125.7 | 82% | 0.824 | 79% | 0.787 | S | S | * | * | | | trans | 13.8 | 115.5 | 132.7 | -60.8 | 4.4 | 0 | 0 | 0 | 117.2 | | |
| 26 | S | 43.6 | Very low | 40.6 | Very low | 114 Ų | 114 | 122.6 Ų | 122.6 | 80% | 0.797 | 79% | 0.787 | S | S | * | * | | | | 165.3 | 124.9 | 103.3 | -72.3 | 0 | 0 | 0 | 0 | 109.4 | | |
| 27 | A | 41.6 | Very low | 40.5 | Very low | 99 Ų | 99 | 125.1 Ų | 125.1 | 82% | 0.818 | 80% | 0.799 | S | S | * | * | | | trans | -67 | 132.2 | 172 | 0 | 0 | 0 | 0 | 0 | 110.2 | | |
| 28 | S | 39.7 | Very low | 40.5 | Very low | 113 Ų | 113 | 123.3 Ų | 123.3 | 79% | 0.79 | 80% | 0.804 | S | S | * | * | | | trans | -158.6 | 92.3 | 155.5 | -71.8 | 0 | 0 | 0 | 0 | 108.3 | | |
| 29 | T | 38.1 | Very low | 40.4 | Very low | 142 Ų | 142 | 123.4 Ų | 123.4 | 87% | 0.871 | 81% | 0.81 | S | S | * | * | | | trans | -66.8 | 123 | 159.3 | 30.6 | 0 | 0 | 0 | 0 | 109 | | |
| 30 | S | 40.7 | Very low | 40.4 | Very low | 119 Ų | 119 | 126.9 Ų | 126.9 | 83% | 0.832 | 81% | 0.811 | S | S | * | * | | | trans | -148.3 | 104.5 | 161 | -73.4 | 0 | 0 | 0 | 0 | 108.1 | | |
| 31 | T | 37.5 | Very low | 39.9 | Very low | 144 Ų | 144 | 127 Ų | 127 | 88% | 0.883 | 81% | 0.806 | S | S | * | * | | | trans | -77.1 | 129.9 | 163 | 40.9 | 0 | 0 | 0 | 0 | 109.2 | | |
| 32 | A | 40 | Very low | 40 | Very low | 88 Ų | 88 | 122.5 Ų | 122.5 | 73% | 0.727 | 80% | 0.796 | S | S | * | * | | | trans | 160.2 | 130.1 | 133.1 | 0 | 0 | 0 | 0 | 0 | 111.7 | | |
| 33 | S | 37.5 | Very low | 39.5 | Very low | 111 Ų | 111 | 129 Ų | 129 | 78% | 0.776 | 80% | 0.802 | S | S | * | * | | | trans | 71.3 | 109.7 | 142.3 | -48.4 | 0 | 0 | 0 | 0 | 120.5 | | |
| 34 | E | 38 | Very low | 38.9 | Very low | 193 Ų | 193 | 127.6 Ų | 127.6 | 90% | 0.902 | 80% | 0.803 | S | S | * | * | | | | 49.7 | 104.2 | 119.1 | -160.7 | 179.3 | 145.8 | 0 | 0 | 118.4 | | |
| 35 | A | 38.6 | Very low | 38.2 | Very low | 97 Ų | 97 | 127.2 Ų | 127.2 | 80% | 0.802 | 81% | 0.807 | S | S | * | * | | | trans | -172.3 | 149.1 | 143.5 | 0 | 0 | 0 | 0 | 0 | 111.6 | | |
| 36 | A | 41.3 | Very low | 37.9 | Very low | 83 Ų | 83 | 126.3 Ų | 126.3 | 69% | 0.686 | 81% | 0.807 | S | S | * | * | | | trans | 80.9 | 102.1 | 153.2 | 0 | 0 | 0 | 0 | 0 | 117.1 | | |
| 37 | L | 35.4 | Very low | 37.5 | Very low | 176 Ų | 176 | 127.6 Ų | 127.6 | 92% | 0.921 | 81% | 0.805 | S | S | * | * | | | | 79.1 | 106.5 | 86.3 | -86.6 | 145.1 | 0 | 0 | 0 | 112.2 | | |
| 38 | A | 39.2 | Very low | 37.4 | Very low | 96 Ų | 96 | 127.5 Ų | 127.5 | 79% | 0.793 | 80% | 0.804 | S | S | * | * | | | | 171.4 | 105.5 | 123.5 | 0 | 0 | 0 | 0 | 0 | 109.6 | | |
| 39 | V | 37.8 | Very low | 37.3 | Very low | 147 Ų | 147 | 126.7 Ų | 126.7 | 89% | 0.891 | 79% | 0.794 | S | S | * | * | | | trans | -71.5 | 122.5 | 154 | 165.3 | 0 | 0 | 0 | 0 | 106.3 | | |
| 40 | D | 36.1 | Very low | 37.3 | Very low | 147 Ų | 147 | 129.8 Ų | 129.8 | 79% | 0.786 | 80% | 0.796 | S | S | * | * | | | trans | -150.8 | 118.5 | 146.2 | -152.9 | 12.7 | 0 | 0 | 0 | 110.3 | | |
| 41 | S | 31.8 | Very low | 37.1 | Very low | 98 Ų | 98 | 126.9 Ų | 126.9 | 69% | 0.685 | 79% | 0.785 | S | S | * | * | | | trans | -83.4 | 129.8 | 163.9 | 63.5 | 0 | 0 | 0 | 0 | 107.1 | | |
| 42 | V | 39.4 | Very low | 37 | Very low | 117 Ų | 117 | 127 Ų | 127 | 71% | 0.709 | 79% | 0.786 | S | S | * | * | | | trans | 179.2 | 130.5 | 152.3 | 147.5 | 0 | 0 | 0 | 0 | 108.2 | | |
| 43 | Y | 31.5 | Very low | 37 | Very low | 227 Ų | 227 | 130.6 Ų | 130.6 | 89% | 0.89 | 79% | 0.793 | S | S | * | * | | | trans | 18.6 | 139.3 | 146.1 | -63.6 | -101.7 | 0 | 0 | 0 | 119.8 | | |
| 44 | G | 35.5 | Very low | 37.1 | Very low | 69 Ų | 69 | 128.4 Ų | 128.4 | 71% | 0.711 | 79% | 0.787 | S | S | * | * | | | trans | 155.9 | 95.1 | 144.9 | 0 | 0 | 0 | 0 | 0 | 114.6 | | |
| 45 | T | 34 | Very low | 37.1 | Very low | 138 Ų | 138 | 124.6 Ų | 124.6 | 85% | 0.847 | 78% | 0.782 | S | S | * | * | | | trans | -49.7 | 130.3 | 153.1 | -44.2 | 0 | 0 | 0 | 0 | 109.8 | | |
| 46 | T | 38.7 | Very low | 37.2 | Very low | 134 Ų | 134 | 127.7 Ų | 127.7 | 82% | 0.822 | 79% | 0.785 | S | S | * | * | | | trans | -127.3 | 102.9 | 166.8 | 5.6 | 0 | 0 | 0 | 0 | 110.1 | | |
| 47 | D | 34.7 | Very low | 37 | Very low | 142 Ų | 142 | 134.6 Ų | 134.6 | 76% | 0.759 | 79% | 0.794 | S | S | * | * | | | trans | -56.6 | 137.4 | 155.7 | -85.6 | -56.1 | 0 | 0 | 0 | 110.6 | | |
| 48 | A | 39.6 | Very low | 37.6 | Very low | 97 Ų | 97 | 131.6 Ų | 131.6 | 80% | 0.802 | 79% | 0.785 | S | S | * | * | | | trans | -150.6 | 65.2 | 162.6 | 0 | 0 | 0 | 0 | 0 | 111.2 | | |
| 49 | T | 38.8 | Very low | 37.6 | Very low | 95 Ų | 95 | 132.2 Ų | 132.2 | 58% | 0.583 | 78% | 0.779 | S | S | * | * | | | | 38.3 | 122.2 | 109.6 | -57.1 | 0 | 0 | 0 | 0 | 120.9 | | |
| 50 | F | 36.8 | Very low | 37.7 | Very low | 208 Ų | 208 | 133 Ų | 133 | 91% | 0.912 | 78% | 0.777 | S | S | * | * | | | trans | 63.2 | 140 | 159.5 | -61 | -56.7 | 0 | 0 | 0 | 118.1 | | |
| 51 | G | 36.3 | Very low | 37.8 | Very low | 58 Ų | 58 | 133.5 Ų | 133.5 | 60% | 0.598 | 77% | 0.774 | S | S | * | * | | | cis | 161.4 | 151 | 6.4 | 0 | 0 | 0 | 0 | 0 | 109.5 | | |
| 52 | T | 36.8 | Very low | 38.2 | Very low | 146 Ų | 146 | 137.1 Ų | 137.1 | 90% | 0.896 | 78% | 0.78 | S | S | * | * | | | trans | 58.9 | 122.7 | 160.6 | 59.1 | 0 | 0 | 0 | 0 | 117.2 | | |
| 53 | D | 40.1 | Very low | 38.4 | Very low | 164 Ų | 164 | 137.5 Ų | 137.5 | 88% | 0.877 | 78% | 0.782 | S | S | * | * | | | | -173.8 | 152 | 50.2 | -167.5 | -0.1 | 0 | 0 | 0 | 109.2 | | |
| 54 | G | 38.5 | Very low | 38.8 | Very low | 64 Ų | 64 | 131.7 Ų | 131.7 | 66% | 0.66 | 78% | 0.775 | S | S | * | * | | | trans | 86.5 | 106.2 | 150.1 | 0 | 0 | 0 | 0 | 0 | 121.3 | | |
| 55 | S | 38.4 | Very low | 38.9 | Very low | 114 Ų | 114 | 133.5 Ų | 133.5 | 80% | 0.797 | 78% | 0.776 | S | S | * | * | | | trans | 81.2 | 96.2 | 150.9 | -75.9 | 0 | 0 | 0 | 0 | 120.9 | | |
| 56 | D | 39.4 | Very low | 39.3 | Very low | 161 Ų | 161 | 131.7 Ų | 131.7 | 86% | 0.861 | 77% | 0.77 | S | S | * | * | | | trans | 61.1 | 70.9 | 133.4 | -59.5 | -26.3 | 0 | 0 | 0 | 118.3 | | |
| 57 | R | 37.5 | Very low | 39.3 | Very low | 229 Ų | 229 | 132 Ų | 132 | 86% | 0.864 | 77% | 0.766 | S | S | * | * | | | trans | -91.9 | 133.2 | 162.4 | -165.6 | 176.8 | 172.4 | -169 | -2 | 109.8 | T59 | R57-T59 PolarHBondContact O-N 3.2Š|
| 58 | P | 48 | Very low | 39.5 | Very low | 113 Ų | 113 | 130.5 Ų | 130.5 | 73% | 0.734 | 77% | 0.773 | S | S | * | * | | | trans | -67.1 | 116.5 | 168.1 | 25.7 | -29.7 | 0 | 0 | 0 | 109.2 | L60 | P58-L60 PolarHBondContact O-N 3.05Š|
| 59 | T | 40 | Very low | 39.6 | Very low | 109 Ų | 109 | 130 Ų | 130 | 67% | 0.669 | 76% | 0.764 | S | S | * | * | | | trans | -69.9 | 106.8 | 176.7 | -47.9 | 0 | 0 | 0 | 0 | 109.6 | R57 H61 | R57-T59 PolarHBondContact O-N 3.2Å; T59-H61 PolarHBondContact O-N 2.91Å |
| 60 | L | 40.2 | Very low | 39.5 | Very low | 163 Ų | 163 | 131 Ų | 131 | 85% | 0.853 | 78% | 0.775 | S | S | * | * | | | trans | -70.2 | 96.3 | 162.1 | -91.5 | 146.7 | 0 | 0 | 0 | 107.8 | P58 H62 | P58-L60 PolarHBondContact O-N 3.05Å; L60-H62 PolarHBondContact O-N 2.96Å |
| 61 | H | 37.9 | Very low | 39.5 | Very low | 158 Ų | 158 | 127.3 Ų | 127.3 | 73% | 0.731 | 77% | 0.77 | S | S | * | * | | | trans | -66.2 | 99.7 | 167.9 | -81.2 | -96.9 | 0 | 0 | 0 | 108.6 | T59 V63 | T59-H61 PolarHBondContact O-N 2.91Å; H61-V63 PolarHBondContact O-N 3.13Å; H61-V63 VanDerWaalsContact O-N 3.13Å |
| 62 | H | 40.3 | Very low | 39.5 | Very low | 174 Ų | 174 | 130.5 Ų | 130.5 | 81% | 0.806 | 78% | 0.783 | S | S | * | * | | | trans | -69.3 | 103.8 | 157.6 | -113.6 | -93 | 0 | 0 | 0 | 106.9 | L60 S64 | L60-H62 PolarHBondContact O-N 2.96Å; H62-S64 PolarHBondContact O-N 3.31Å |
| 63 | V | 43.7 | Very low | 39.7 | Very low | 125 Ų | 125 | 127.5 Ų | 127.5 | 76% | 0.758 | 77% | 0.773 | S | S | * | * | | | trans | -70.4 | 89.2 | 169.3 | -178.6 | 0 | 0 | 0 | 0 | 107.2 | H61 S65 | H61-V63 PolarHBondContact O-N 3.13Å; H61-V63 VanDerWaalsContact O-N 3.13Å; V63-S65 VanDerWaalsContact C-N 3.34Å; V63-S65 PolarHBondContact O-N 3.45Å |
| 64 | S | 38.7 | Very low | 39.7 | Very low | 105 Ų | 105 | 127 Ų | 127 | 73% | 0.734 | 77% | 0.769 | S | S | * | * | | | trans | -72.9 | 94.2 | 156.7 | -75.7 | 0 | 0 | 0 | 0 | 107 | H62 S66 | H62-S64 PolarHBondContact O-N 3.31Å; S64-S66 VanDerWaalsContact C-N 3.27Å; S64-S66 PolarHBondContact O-N 3.18Å |
| 65 | S | 39 | Very low | 39.7 | Very low | 106 Ų | 106 | 133.6 Ų | 133.6 | 74% | 0.741 | 78% | 0.78 | S | S | * | * | | | trans | -73 | 89.9 | 168.1 | -172.5 | 0 | 0 | 0 | 0 | 108.5 | V63 N67 | V63-S65 VanDerWaalsContact C-N 3.34Å; V63-S65 PolarHBondContact O-N 3.45Å; S65-N67 PolarHBondContact O-N 3.49Å |
| 66 | S | 41.2 | Very low | 39.7 | Very low | 101 Ų | 101 | 132.8 Ų | 132.8 | 71% | 0.706 | 78% | 0.775 | S | S | * | * | | | trans | -66.2 | 105.2 | 153.7 | 51.6 | 0 | 0 | 0 | 0 | 108.1 | S64 | S64-S66 VanDerWaalsContact C-N 3.27Å; S64-S66 PolarHBondContact O-N 3.18Å |
| 67 | N | 39.7 | Very low | 39.8 | Very low | 139 Ų | 139 | 131.1 Ų | 131.1 | 74% | 0.743 | 77% | 0.773 | S | S | * | * | | | trans | -141.8 | 91.3 | 145.6 | -115.8 | 16.2 | 0 | 0 | 0 | 108.3 | S65 S69 | S65-N67 PolarHBondContact O-N 3.49Å; N67-S69 VanDerWaalsContact C-N 3.28Å; N67-S69 PolarHBondContact O-N 3.05Å |
| 68 | A | 38.3 | Very low | 39.9 | Very low | 111 Ų | 111 | 123.3 Ų | 123.3 | 92% | 0.917 | 76% | 0.763 | S | S | * | * | | | trans | -64.9 | 94.9 | 155.9 | 0 | 0 | 0 | 0 | 0 | 107.5 | | |
| 69 | S | 42.6 | Very low | 39.2 | Very low | 86 Ų | 86 | 128.5 Ų | 128.5 | 60% | 0.601 | 77% | 0.768 | S | S | * | * | | | trans | -127.4 | 98.5 | 157.1 | 62.9 | 0 | 0 | 0 | 0 | 107.4 | N67 T71 | N67-S69 VanDerWaalsContact C-N 3.28Å; N67-S69 PolarHBondContact O-N 3.05Å; S69-T71 PolarHBondContact O-N 2.86Å |
| 70 | S | 35.2 | Very low | 39.2 | Very low | 117 Ų | 117 | 129.9 Ų | 129.9 | 82% | 0.818 | 78% | 0.776 | S | S | * | * | | | trans | -23.2 | 107.3 | 159.5 | 41.9 | 0 | 0 | 0 | 0 | 114.6 | | |
| 71 | T | 38.1 | Very low | 39.5 | Very low | 131 Ų | 131 | 129.5 Ų | 129.5 | 80% | 0.804 | 77% | 0.77 | S | S | * | * | | | trans | -138.6 | 107.8 | 146.7 | 36.6 | 0 | 0 | 0 | 0 | 108.1 | S69 A73 | S69-T71 PolarHBondContact O-N 2.86Å; T71-A73 VanDerWaalsContact C-N 3.28Å; T71-A73 PolarHBondContact O-N 3.31Å |
| 72 | S | 36.8 | Very low | 39.9 | Very low | 125 Ų | 125 | 130.2 Ų | 130.2 | 87% | 0.874 | 77% | 0.774 | S | S | * | * | | | trans | -62.8 | 89.8 | 167.5 | -43.6 | 0 | 0 | 0 | 0 | 108.2 | L74 | S72-L74 PolarHBondContact O-N 3.16Š|
| 73 | A | 39.4 | Very low | 40.2 | Very low | 82 Ų | 82 | 127.5 Ų | 127.5 | 68% | 0.678 | 77% | 0.771 | S | S | * | * | | | trans | -76.1 | 88.2 | 166.4 | 0 | 0 | 0 | 0 | 0 | 107.5 | T71 F75 | T71-A73 VanDerWaalsContact C-N 3.28Å; T71-A73 PolarHBondContact O-N 3.31Å; A73-F75 PolarHBondContact O-N 2.79Å |
| 74 | L | 40.2 | Very low | 40.2 | Very low | 154 Ų | 154 | 130 Ų | 130 | 81% | 0.806 | 78% | 0.777 | S | S | * | * | | | trans | -55.8 | 105.7 | 167.2 | -165.6 | 75.9 | 0 | 0 | 0 | 107.7 | S72 S76 | S72-L74 PolarHBondContact O-N 3.16Å; L74-S76 VanDerWaalsContact C-N 3.3Å; L74-S76 PolarHBondContact O-N 2.91Å |
| 75 | F | 40 | Very low | 40.8 | Very low | 203 Ų | 203 | 130.3 Ų | 130.3 | 89% | 0.89 | 78% | 0.775 | S | S | * | * | | | trans | -64.9 | 96.7 | 165.5 | -85.1 | -88.2 | 0 | 0 | 0 | 107.7 | A73 P77 | A73-F75 PolarHBondContact O-N 2.79Å; F75-P77 WeakPolarHBondContact O-CD 3.49Å |
| 76 | S | 37.4 | Very low | 40.9 | Very low | 97 Ų | 97 | 131.1 Ų | 131.1 | 68% | 0.678 | 78% | 0.775 | S | S | * | * | | | trans | -88.6 | 111.9 | 166.5 | -145.6 | 0 | 0 | 0 | 0 | 107 | L74 G78 | L74-S76 VanDerWaalsContact C-N 3.3Å; L74-S76 PolarHBondContact O-N 2.91Å; S76-G78 PolarHBondContact O-N 3.19Å |
| 77 | P | 41.5 | Very low | 41.1 | Very low | 126 Ų | 126 | 135.1 Ų | 135.1 | 82% | 0.818 | 78% | 0.78 | S | S | * | * | | | trans | -71.5 | 83.4 | 165.6 | 29.5 | -29.7 | 0 | 0 | 0 | 107 | F75 | F75-P77 WeakPolarHBondContact O-CD 3.49Š|
| 78 | G | 39 | Very low | 41.8 | Very low | 65 Ų | 65 | 137.3 Ų | 137.3 | 67% | 0.67 | 78% | 0.783 | S | S | * | * | | | trans | -68.5 | 136 | 167.9 | 0 | 0 | 0 | 0 | 0 | 109.4 | S76 | S76-G78 PolarHBondContact O-N 3.19Š|
| 79 | R | 35.1 | Very low | 41.9 | Very low | 221 Ų | 221 | 138.1 Ų | 138.1 | 83% | 0.834 | 78% | 0.779 | S | S | * | * | | | trans | 87.2 | 67.9 | 163.3 | -128 | 178.6 | -173.9 | -170.1 | -0.6 | 116.4 | | |
| 80 | V | 39.1 | Very low | 42.1 | Very low | 138 Ų | 138 | 138.2 Ų | 138.2 | 84% | 0.836 | 79% | 0.785 | S | S | * | * | | | trans | -98.1 | 111.1 | 138.8 | 179.8 | 0 | 0 | 0 | 0 | 106.1 | Q82 | V80-Q82 PolarHBondContact O-N 3.46Š|
| 81 | E | 46.8 | Very low | 42.5 | Very low | 156 Ų | 156 | 140.3 Ų | 140.3 | 73% | 0.729 | 78% | 0.782 | S | S | * | * | | | trans | -58.1 | 108.7 | 174.4 | -67.4 | -176.7 | 144.8 | 0 | 0 | 109.2 | | |
| 82 | Q | 45 | Very low | 42.7 | Very low | 173 Ų | 173 | 142.3 Ų | 142.3 | 81% | 0.808 | 78% | 0.78 | S | S | * | * | | | trans | -73.4 | 131.4 | 163.8 | -75.8 | -176.2 | -22.3 | 0 | 0 | 108.2 | V80 M84 | V80-Q82 PolarHBondContact O-N 3.46Å; Q82-M84 PolarHBondContact O-N 3.22Å |
| 83 | P | 46.7 | Very low | 43 | Very low | 116 Ų | 116 | 145.8 Ų | 145.8 | 75% | 0.753 | 78% | 0.782 | S | S | * | * | | | trans | -66.4 | 106.7 | 163.7 | 26.3 | -28.2 | 0 | 0 | 0 | 107.6 | T85 | P83-T85 PolarHBondContact O-N 3.12Š|
| 84 | M | 44.3 | Very low | 43.2 | Very low | 177 Ų | 177 | 145.2 Ų | 145.2 | 87% | 0.872 | 78% | 0.784 | S | S | * | * | | | trans | -61.1 | 102.9 | 167.1 | -81.7 | -167.3 | 177.3 | 0 | 0 | 108.5 | Q82 T86 | Q82-M84 PolarHBondContact O-N 3.22Å; M84-T86 PolarHBondContact O-N 2.85Å |
| 85 | T | 50.6 | Low | 42.9 | Very low | 112 Ų | 112 | 147.1 Ų | 147.1 | 69% | 0.687 | 79% | 0.789 | S | S | * | * | | | trans | -81.4 | 99.6 | 156.6 | 48.2 | 0 | 0 | 0 | 0 | 107.3 | P83 F87 | P83-T85 PolarHBondContact O-N 3.12Å; T85-F87 PolarHBondContact O-N 3.42Å |
| 86 | T | 42 | Very low | 42.8 | Very low | 123 Ų | 123 | 142.6 Ų | 142.6 | 76% | 0.755 | 78% | 0.78 | S | S | * | * | | | trans | -57.3 | 94.8 | 169.9 | -57.6 | 0 | 0 | 0 | 0 | 109.6 | M84 K88 | M84-T86 PolarHBondContact O-N 2.85Å; T86-K88 PolarHBondContact O-N 3.4Å |
| 87 | F | 45.7 | Very low | 43.2 | Very low | 186 Ų | 186 | 144.7 Ų | 144.7 | 82% | 0.816 | 79% | 0.788 | S | S | * | * | | | trans | -82.4 | 104.8 | 159.6 | -89.7 | -86.8 | 0 | 0 | 0 | 107.9 | T85 P89 | T85-F87 PolarHBondContact O-N 3.42Å; F87-P89 WeakPolarHBondContact O-CD 3.43Å |
| 88 | K | 54.2 | Low | 43.3 | Very low | 185 Ų | 185 | 142.4 Ų | 142.4 | 80% | 0.804 | 78% | 0.78 | S | S | * | * | | | trans | -87.9 | 113.5 | 173.4 | -160.4 | -176.7 | -172.4 | -174.9 | 0 | 107.8 | T86 A90 | T86-K88 PolarHBondContact O-N 3.4Å; K88-A90 PolarHBondContact O-N 2.97Å |
| 89 | P | 40.4 | Very low | 43.7 | Very low | 128 Ų | 128 | 146.3 Ų | 146.3 | 83% | 0.831 | 79% | 0.785 | S | S | * | * | | | trans | -88.9 | 100.2 | 166.4 | 30.9 | -21.8 | 0 | 0 | 0 | 107.4 | F87 | F87-P89 WeakPolarHBondContact O-CD 3.43Š|
| 90 | A | 46.2 | Very low | 44.3 | Very low | 88 Ų | 88 | 147 Ų | 147 | 73% | 0.727 | 79% | 0.788 | S | S | * | * | | | trans | -96.9 | 115.1 | 167.4 | 0 | 0 | 0 | 0 | 0 | 108.9 | K88 | K88-A90 PolarHBondContact O-N 2.97Š|
| 91 | E | 44.7 | Very low | 44.6 | Very low | 160 Ų | 160 | 148.4 Ų | 148.4 | 75% | 0.748 | 79% | 0.785 | S | S | * | * | | | trans | -53.1 | 136.8 | 176.9 | -171.3 | 179.1 | 147.5 | 0 | 0 | 114.6 | | |
| 92 | K | 42.8 | Very low | 44.3 | Very low | 174 Ų | 174 | 147.4 Ų | 147.4 | 76% | 0.757 | 79% | 0.792 | S | S | * | * | | | trans | 39.6 | 117.7 | 149.5 | -61.2 | 175.1 | -179.3 | 171 | 0 | 119.5 | | |
| 93 | Q | 42.3 | Very low | 44.4 | Very low | 197 Ų | 197 | 142.3 Ų | 142.3 | 92% | 0.921 | 78% | 0.78 | S | S | * | * | | | | -178.3 | 135 | 117.6 | -103.1 | 172.5 | 11.8 | 0 | 0 | 111.2 | | |
| 94 | G | 43 | Very low | 44.3 | Very low | 70 Ų | 70 | 145.7 Ų | 145.7 | 72% | 0.722 | 78% | 0.783 | S | S | * | * | | | trans | 87.5 | 91.6 | 140.6 | 0 | 0 | 0 | 0 | 0 | 119.2 | | |
| 95 | Q | 34.8 | Very low | 44 | Very low | 195 Ų | 195 | 142.8 Ų | 142.8 | 91% | 0.911 | 79% | 0.787 | S | S | * | * | | | | 96.5 | 135 | 125.5 | -138.9 | 142.1 | -46.7 | 0 | 0 | 119.7 | | |
| 96 | P | 38 | Very low | 43.7 | Very low | 108 Ų | 108 | 141.5 Ų | 141.5 | 70% | 0.701 | 78% | 0.783 | S | S | * | * | | | trans | -109.2 | 146.1 | -163.1 | 39.6 | -27.9 | 0 | 0 | 0 | 113.5 | | |
| 97 | V | 44.9 | Very low | 43.9 | Very low | 141 Ų | 141 | 140.3 Ų | 140.3 | 86% | 0.855 | 78% | 0.779 | S | S | * | * | | | trans | -154.8 | 97 | 155.8 | -176.9 | 0 | 0 | 0 | 0 | 105.3 | | |
| 98 | A | 43.9 | Very low | 44 | Very low | 77 Ų | 77 | 138.3 Ų | 138.3 | 64% | 0.636 | 78% | 0.777 | S | S | * | * | | | | 63.4 | 125.2 | 98.4 | 0 | 0 | 0 | 0 | 0 | 114.6 | | |
| 99 | D | 47.1 | Very low | 43.9 | Very low | 147 Ų | 147 | 135.2 Ų | 135.2 | 79% | 0.786 | 78% | 0.776 | S | S | * | * | | | trans | 93.4 | 113.5 | 152.8 | -60.7 | -30.5 | 0 | 0 | 0 | 121.1 | | |
| 100 | R | 47.6 | Very low | 44.3 | Very low | 235 Ų | 235 | 133.2 Ų | 133.2 | 89% | 0.887 | 77% | 0.77 | S | S | * | * | | | trans | 78 | 107.1 | 140.7 | -69.8 | 176.6 | 172.3 | 177.4 | -1.6 | 118.6 | | |
| 101 | E | 45.5 | Very low | 44.7 | Very low | 168 Ų | 168 | 133.8 Ų | 133.8 | 79% | 0.785 | 76% | 0.764 | S | S | * | * | | | | 162.4 | 121.4 | 101.5 | -171.6 | 174.7 | 132.1 | 0 | 0 | 109.9 | A103 | E101-A103 HydrophobicContact CG-CB 4.13Š|
| 102 | P | 41.5 | Very low | 45.5 | Very low | 135 Ų | 135 | 131 Ų | 131 | 88% | 0.877 | 76% | 0.76 | S | S | * | * | | | trans | -97.2 | 100.9 | 168.2 | 33.4 | -21.8 | 0 | 0 | 0 | 108.5 | | |
| 103 | A | 46.2 | Very low | 46.2 | Very low | 67 Ų | 67 | 132.6 Ų | 132.6 | 55% | 0.554 | 76% | 0.762 | S | S | * | * | | | trans | -149.2 | 127.8 | 175.3 | 0 | 0 | 0 | 0 | 0 | 113.9 | E101 | E101-A103 HydrophobicContact CG-CB 4.13Š|
| 104 | K | 45 | Very low | 46.9 | Very low | 187 Ų | 187 | 128.7 Ų | 128.7 | 81% | 0.813 | 75% | 0.751 | S | S | * | * | | | trans | 76.8 | 86.2 | 160.4 | -73.9 | 176.5 | 175.9 | 172.7 | 0 | 118.3 | S106 | K104-S106 PolarHBondContact O-N 3.1Å; K104-S106 VanDerWaalsContact O-N 3.16Å |
| 105 | A | 38.6 | Very low | 47.6 | Very low | 115 Ų | 115 | 132.5 Ų | 132.5 | 95% | 0.95 | 75% | 0.748 | S | S | * | * | | | | -53.6 | 105.9 | 126.6 | 0 | 0 | 0 | 0 | 0 | 108.9 | | |
| 106 | S | 43.6 | Very low | 48.7 | Very low | 86 Ų | 86 | 126.7 Ų | 126.7 | 60% | 0.601 | 73% | 0.727 | S | S | * | * | | | trans | -137.6 | 95.2 | 173.5 | 178.2 | 0 | 0 | 0 | 0 | 108.7 | K104 N108 | K104-S106 PolarHBondContact O-N 3.1Å; K104-S106 VanDerWaalsContact O-N 3.16Å; S106-N108 PolarHBondContact O-N 2.86Å |
| 107 | S | 45.5 | Very low | 49.6 | Very low | 97 Ų | 97 | 132.2 Ų | 132.2 | 68% | 0.678 | 73% | 0.734 | S | S | * | * | | | trans | 5.3 | 109.7 | 145.6 | 54.9 | 0 | 0 | 0 | 0 | 116.2 | | |
| 108 | N | 49.5 | Very low | 50.2 | Low | 145 Ų | 145 | 130 Ų | 130 | 78% | 0.775 | 72% | 0.721 | S | S | * | * | | | trans | -179.3 | 99.6 | 137.4 | -93.2 | -36.9 | 0 | 0 | 0 | 108.7 | S106 A110 | S106-N108 PolarHBondContact O-N 2.86Å; N108-A110 PolarHBondContact O-N 3.5Å |
| 109 | P | 50.9 | Low | 51 | Low | 120 Ų | 120 | 130.1 Ų | 130.1 | 78% | 0.779 | 72% | 0.717 | S | S | * | * | | | trans | -70.3 | 86.5 | 146.2 | 31.5 | -26.5 | 0 | 0 | 0 | 105.4 | V111 | P109-V111 PolarHBondContact O-N 3.09Š|
| 110 | A | 48.9 | Very low | 51.9 | Low | 85 Ų | 85 | 128.2 Ų | 128.2 | 70% | 0.702 | 71% | 0.71 | S | S | * | * | | | trans | -64.7 | 84.2 | 160.9 | 0 | 0 | 0 | 0 | 0 | 105.8 | N108 P112 | N108-A110 PolarHBondContact O-N 3.5Å; A110-P112 WeakPolarHBondContact O-CD 3.47Å |
| 111 | V | 55.5 | Low | 52.9 | Low | 101 Ų | 101 | 122.9 Ų | 122.9 | 61% | 0.612 | 70% | 0.698 | S | S | * | * | | | trans | -55 | 114.4 | 170.1 | 176.5 | 0 | 0 | 0 | 0 | 104.8 | P109 W113 | P109-V111 PolarHBondContact O-N 3.09Å; V111-W113 PolarHBondContact O-N 2.76Å |
| 112 | P | 60.8 | Low | 54.1 | Low | 102 Ų | 102 | 117.5 Ų | 117.5 | 66% | 0.662 | 68% | 0.683 | S | S | * | * | | | trans | -66.3 | 109.8 | 173.8 | 29.1 | -31.5 | 0 | 0 | 0 | 105.2 | A110 V114 | A110-P112 WeakPolarHBondContact O-CD 3.47Å; P112-V114 HydrophobicContact CB-CG2 3.74Å; P112-V114 HydrophobicContact CG-CG2 4.22Å; P112-V114 PolarHBondContact O-N 3.44Å |
| 113 | W | 57.2 | Low | 55.9 | Low | 207 Ų | 207 | 113 Ų | 113 | 78% | 0.784 | 66% | 0.661 | S | S | * | * | | | trans | -67 | 68.1 | 167.6 | -84.3 | 60.5 | 0 | 0 | 0 | 108 | V111 F115 | V111-W113 PolarHBondContact O-N 2.76Å; W113-F115 VanDerWaalsContact C-N 3.29Å; W113-F115 HydrophobicContact CE3-CD2 4.27Å; W113-F115 AromaticContact CE3-CE2 3.45Å; W113-F115 HydrophobicContact CE3-CE2 3.45Å; W113-F115 VanDerWaalsContact CE3-CE2 3.45Å; W113-F115 AromaticContact CE3-CZ 3.63Å; W113-F115 HydrophobicContact CE3-CZ 3.63Å; W113-F115 HydrophobicContact CZ3-CE1 4.49Å; W113-F115 AromaticContact CZ3-CE2 3.8Å; W113-F115 HydrophobicContact CZ3-CE2 3.8Å; W113-F115 AromaticContact CZ3-CZ 3.54Å; W113-F115 HydrophobicContact CZ3-CZ 3.54Å; W113-F115 PolarHBondContact O-N 2.88Å; W113-F115 VanDerWaalsContact O-N 3.16Å |
| 114 | V | 57 | Low | 57.8 | Low | 114 Ų | 114 | 114 Ų | 114 | 69% | 0.691 | 66% | 0.659 | S | S | * | * | | | trans | -82.2 | 87.2 | 167.5 | -159.2 | 0 | 0 | 0 | 0 | 104.6 | P112 P116 | P112-V114 HydrophobicContact CB-CG2 3.74Å; P112-V114 HydrophobicContact CG-CG2 4.22Å; P112-V114 PolarHBondContact O-N 3.44Å; V114-P116 WeakPolarHBondContact O-CD 3.38Å |
| 115 | F | 57.3 | Low | 59.8 | Low | 151 Ų | 151 | 108 Ų | 108 | 66% | 0.662 | 64% | 0.641 | S | S | * | * | | | trans | -54.7 | 115 | 168.2 | -87.4 | -75.3 | 0 | 0 | 0 | 107.5 | W113 R117 | W113-F115 VanDerWaalsContact C-N 3.29Å; W113-F115 HydrophobicContact CE3-CD2 4.27Å; W113-F115 AromaticContact CE3-CE2 3.45Å; W113-F115 HydrophobicContact CE3-CE2 3.45Å; W113-F115 VanDerWaalsContact CE3-CE2 3.45Å; W113-F115 AromaticContact CE3-CZ 3.63Å; W113-F115 HydrophobicContact CE3-CZ 3.63Å; W113-F115 HydrophobicContact CZ3-CE1 4.49Å; W113-F115 AromaticContact CZ3-CE2 3.8Å; W113-F115 HydrophobicContact CZ3-CE2 3.8Å; W113-F115 AromaticContact CZ3-CZ 3.54Å; W113-F115 HydrophobicContact CZ3-CZ 3.54Å; W113-F115 PolarHBondContact O-N 2.88Å; W113-F115 VanDerWaalsContact O-N 3.16Å; F115-R117 PolarHBondContact O-N 2.97Å |
| 116 | P | 58.6 | Low | 62.1 | Low | 73 Ų | 73 | 107.4 Ų | 107.4 | 47% | 0.474 | 62% | 0.622 | S | S | . | * | | | trans | -71.3 | 122.9 | -176.6 | 30.4 | -33 | 0 | 0 | 0 | 106.5 | V114 T118 S119 | V114-P116 WeakPolarHBondContact O-CD 3.38Å; P116-T118 WeakPolarHBondContact CB-OG1 3.39Å; P116-T118 PolarHBondContact O-N 2.88Å; P116-S119 PolarHBondContact O-N 3.37Å |
| 117 | R | 57.5 | Low | 64.3 | Low | 224 Ų | 224 | 106.2 Ų | 106.2 | 85% | 0.845 | 62% | 0.617 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -53.7 | -12 | 173.2 | -69.4 | -175.9 | 175.7 | 174.6 | -1.3 | 112.7 | F115 S119 | F115-R117 PolarHBondContact O-N 2.97Å; R117-S119 VanDerWaalsContact C-N 3.25Å; R117-S119 PolarHBondContact O-N 3.22Å |
| 118 | T | 57.2 | Low | 66.5 | Low | 95 Ų | 95 | 107 Ų | 107 | 58% | 0.583 | 61% | 0.613 | S | S | * | * | H | α-helix | trans | -63.3 | -25.8 | 170.7 | 64.7 | 0 | 0 | 0 | 0 | 113.5 | P116 V120 I121 A122 | P116-T118 WeakPolarHBondContact CB-OG1 3.39Å; P116-T118 PolarHBondContact O-N 2.88Å; T118-V120 PolarHBondContact O-N 3Å; T118-I121 PolarHBondContact O-N 3Å; T118-A122 WeakPolarHBondContact O-CB 3.34Å; T118-A122 PolarHBondContact O-N 2.73Å |
| 119 | S | 59.4 | Low | 68.5 | Low | 79 Ų | 79 | 104.7 Ų | 104.7 | 55% | 0.552 | 60% | 0.6 | S | S | * | * | H | α-helix | trans | -67.8 | -37.3 | -179.4 | -159.1 | 0 | 0 | 0 | 0 | 112 | P116 R117 G123 | P116-S119 PolarHBondContact O-N 3.37Å; R117-S119 VanDerWaalsContact C-N 3.25Å; R117-S119 PolarHBondContact O-N 3.22Å; S119-G123 PolarHBondContact O-N 2.84Å |
| 120 | V | 67.5 | Low | 70.5 | Confident | 107 Ų | 107 | 103.8 Ų | 103.8 | 65% | 0.648 | 59% | 0.587 | S | S | * | * | H | α-helix | trans | -68.4 | -41.8 | 175.5 | -176.7 | 0 | 0 | 0 | 0 | 110.5 | T118 G123 V124 | T118-V120 PolarHBondContact O-N 3Å; V120-G123 PolarHBondContact O-N 3.44Å; V120-V124 WeakPolarHBondContact O-CG2 3.41Å; V120-V124 PolarHBondContact O-N 2.83Å |
| 121 | I | 68.5 | Low | 72.6 | Confident | 122 Ų | 122 | 102 Ų | 102 | 63% | 0.626 | 57% | 0.572 | S | S | * | * | H | α-helix | trans | -66.2 | -40.6 | 179.6 | -62.2 | 162 | 0 | 0 | 0 | 110.7 | T118 S125 | T118-I121 PolarHBondContact O-N 3Å; I121-S125 PolarHBondContact O-N 3.33Å; I121-S125 VanDerWaalsContact O-N 3.14Å |
| 122 | A | 70.3 | Confident | 74.4 | Confident | 56 Ų | 56 | 101.4 Ų | 101.4 | 46% | 0.463 | 57% | 0.569 | S | S | . | * | H | α-helix | trans | -62.8 | -44.3 | 174.6 | 0 | 0 | 0 | 0 | 0 | 111.6 | T118 V124 S125 L126 | T118-A122 WeakPolarHBondContact O-CB 3.34Å; T118-A122 PolarHBondContact O-N 2.73Å; A122-V124 PolarHBondContact O-N 3.42Å; A122-S125 PolarHBondContact O-N 3.24Å; A122-S125 PolarHBondContact O-OG 3.24Å; A122-L126 PolarHBondContact O-N 3.4Å; A122-L126 VanDerWaalsContact O-N 3.12Å |
| 123 | G | 78.7 | Confident | 75.9 | Confident | 41 Ų | 41 | 100.6 Ų | 100.6 | 42% | 0.423 | 56% | 0.558 | S | S | . | * | H | α-helix | trans | -61.2 | -44 | 178.1 | 0 | 0 | 0 | 0 | 0 | 113.5 | S119 V120 S125 L126 A127 | S119-G123 PolarHBondContact O-N 2.84Å; V120-G123 PolarHBondContact O-N 3.44Å; G123-S125 PolarHBondContact O-N 3Å; G123-L126 PolarHBondContact O-N 2.87Å; G123-A127 PolarHBondContact O-N 3.21Å |
| 124 | V | 86 | Confident | 77.6 | Confident | 86 Ų | 86 | 93.4 Ų | 93.4 | 52% | 0.521 | 54% | 0.542 | S | S | . | . | H | α-helix | trans | -65 | -40.5 | 178.4 | 176.4 | 0 | 0 | 0 | 0 | 111.2 | V120 A122 L126 A127 L128 | V120-V124 WeakPolarHBondContact O-CG2 3.41Å; V120-V124 PolarHBondContact O-N 2.83Å; A122-V124 PolarHBondContact O-N 3.42Å; V124-L126 VanDerWaalsContact C-N 3.33Å; V124-L126 PolarHBondContact O-N 3.5Å; V124-A127 PolarHBondContact O-N 3.44Å; V124-L128 HydrophobicContact CG1-CD1 4.44Å; V124-L128 PolarHBondContact O-N 3.04Å; V124-L128 VanDerWaalsContact O-N 3.11Å |
| 125 | S | 87.4 | Confident | 79.2 | Confident | 62 Ų | 62 | 93.1 Ų | 93.1 | 43% | 0.434 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -62.1 | -40.6 | 177.4 | 74 | 0 | 0 | 0 | 0 | 112.3 | I121 A122 G123 L128 I129 | I121-S125 PolarHBondContact O-N 3.33Å; I121-S125 VanDerWaalsContact O-N 3.14Å; A122-S125 PolarHBondContact O-N 3.24Å; A122-S125 PolarHBondContact O-OG 3.24Å; G123-S125 PolarHBondContact O-N 3Å; S125-L128 PolarHBondContact O-N 2.91Å; S125-I129 WeakPolarHBondContact O-CG1 3.39Å; S125-I129 PolarHBondContact O-N 2.89Å |
| 126 | L | 87.6 | Confident | 80.9 | Confident | 103 Ų | 103 | 89.4 Ų | 89.4 | 54% | 0.539 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -67.9 | -41.1 | 178.5 | -175.3 | 62.8 | 0 | 0 | 0 | 111.8 | A122 G123 V124 L128 I129 I130 | A122-L126 PolarHBondContact O-N 3.4Å; A122-L126 VanDerWaalsContact O-N 3.12Å; G123-L126 PolarHBondContact O-N 2.87Å; V124-L126 VanDerWaalsContact C-N 3.33Å; V124-L126 PolarHBondContact O-N 3.5Å; L126-L128 VanDerWaalsContact C-N 3.34Å; L126-L128 PolarHBondContact O-N 2.77Å; L126-I129 PolarHBondContact O-N 3.46Å; L126-I130 HydrophobicContact CD1-CD1 4.42Å; L126-I130 HydrophobicContact CG-CD1 4.1Å; L126-I130 WeakPolarHBondContact O-CG1 3.45Å; L126-I130 PolarHBondContact O-N 3.44Å; L126-I130 VanDerWaalsContact O-N 3.07Å |
| 127 | A | 88.8 | Confident | 82.4 | Confident | 61 Ų | 61 | 92.6 Ų | 92.6 | 50% | 0.504 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -61.6 | -40.9 | 177.2 | 0 | 0 | 0 | 0 | 0 | 112.3 | G123 V124 I130 A131 | G123-A127 PolarHBondContact O-N 3.21Å; V124-A127 PolarHBondContact O-N 3.44Å; A127-I130 PolarHBondContact O-N 3.05Å; A127-A131 WeakPolarHBondContact O-CB 3.3Å; A127-A131 PolarHBondContact O-N 3.47Å |
| 128 | L | 91.2 | Very high | 83.9 | Confident | 113 Ų | 113 | 89.5 Ų | 89.5 | 59% | 0.592 | 52% | 0.522 | S | S | * | . | H | α-helix | trans | -63.5 | -42 | 176 | -73.8 | 174.6 | 0 | 0 | 0 | 112.1 | V124 S125 L126 A131 V132 | V124-L128 HydrophobicContact CG1-CD1 4.44Å; V124-L128 PolarHBondContact O-N 3.04Å; V124-L128 VanDerWaalsContact O-N 3.11Å; S125-L128 PolarHBondContact O-N 2.91Å; L126-L128 VanDerWaalsContact C-N 3.34Å; L126-L128 PolarHBondContact O-N 2.77Å; L128-A131 PolarHBondContact O-N 3.36Å; L128-V132 WeakPolarHBondContact O-CG2 3.24Å; L128-V132 PolarHBondContact O-N 2.8Å |
| 129 | I | 92.3 | Very high | 85.5 | Confident | 97 Ų | 97 | 88.2 Ų | 88.2 | 50% | 0.497 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -61.9 | -46.5 | 177.9 | -66.2 | 164 | 0 | 0 | 0 | 110.5 | S125 L126 A131 V132 I133 | S125-I129 WeakPolarHBondContact O-CG1 3.39Å; S125-I129 PolarHBondContact O-N 2.89Å; L126-I129 PolarHBondContact O-N 3.46Å; I129-A131 PolarHBondContact O-N 3.46Å; I129-V132 PolarHBondContact O-N 3.32Å; I129-I133 HydrophobicContact CG2-CD1 3.84Å; I129-I133 VanDerWaalsContact O-CG1 3.32Å; I129-I133 WeakPolarHBondContact O-CG1 3.35Å; I129-I133 PolarHBondContact O-N 3.31Å |
| 130 | I | 92.8 | Very high | 86.6 | Confident | 101 Ų | 101 | 89.5 Ų | 89.5 | 52% | 0.518 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -62.9 | -42.2 | 179 | -65.5 | 168.6 | 0 | 0 | 0 | 111 | L126 A127 V132 I133 A134 | L126-I130 HydrophobicContact CD1-CD1 4.42Å; L126-I130 HydrophobicContact CG-CD1 4.1Å; L126-I130 WeakPolarHBondContact O-CG1 3.45Å; L126-I130 PolarHBondContact O-N 3.44Å; L126-I130 VanDerWaalsContact O-N 3.07Å; A127-I130 PolarHBondContact O-N 3.05Å; I130-V132 PolarHBondContact O-N 3.32Å; I130-I133 PolarHBondContact O-N 3Å; I130-A134 WeakPolarHBondContact O-CB 3.39Å; I130-A134 PolarHBondContact O-N 3.05Å |
| 131 | A | 93.4 | Very high | 87.2 | Confident | 47 Ų | 47 | 90.1 Ų | 90.1 | 39% | 0.388 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -61.4 | -44.4 | 178 | 0 | 0 | 0 | 0 | 0 | 112.2 | A127 L128 I129 A134 I135 | A127-A131 WeakPolarHBondContact O-CB 3.3Å; A127-A131 PolarHBondContact O-N 3.47Å; L128-A131 PolarHBondContact O-N 3.36Å; I129-A131 PolarHBondContact O-N 3.46Å; A131-A134 PolarHBondContact O-N 3.07Å; A131-I135 VanDerWaalsContact O-CG1 3.29Å; A131-I135 WeakPolarHBondContact O-CG1 3.36Å; A131-I135 PolarHBondContact O-N 3.28Å |
| 132 | V | 93 | Very high | 87.6 | Confident | 89 Ų | 89 | 86.7 Ų | 86.7 | 54% | 0.539 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -62 | -45.4 | 176.5 | 172.9 | 0 | 0 | 0 | 0 | 110.9 | L128 I129 I130 A134 I135 V136 | L128-V132 WeakPolarHBondContact O-CG2 3.24Å; L128-V132 PolarHBondContact O-N 2.8Å; I129-V132 PolarHBondContact O-N 3.32Å; I130-V132 PolarHBondContact O-N 3.32Å; V132-A134 VanDerWaalsContact C-N 3.35Å; V132-A134 PolarHBondContact O-N 3.42Å; V132-I135 PolarHBondContact O-N 3.45Å; V132-V136 WeakPolarHBondContact O-CG2 3.5Å; V132-V136 PolarHBondContact O-N 3.49Å |
| 133 | I | 92.5 | Very high | 87.9 | Confident | 85 Ų | 85 | 92.5 Ų | 92.5 | 44% | 0.436 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -60.2 | -45.3 | 177.1 | -68.7 | 169.6 | 0 | 0 | 0 | 110.6 | I129 I130 I135 V136 F137 | I129-I133 HydrophobicContact CG2-CD1 3.84Å; I129-I133 VanDerWaalsContact O-CG1 3.32Å; I129-I133 WeakPolarHBondContact O-CG1 3.35Å; I129-I133 PolarHBondContact O-N 3.31Å; I130-I133 PolarHBondContact O-N 3Å; I133-I135 PolarHBondContact O-N 2.83Å; I133-V136 PolarHBondContact O-N 3.21Å; I133-F137 HydrophobicContact CG2-CD2 3.54Å; I133-F137 HydrophobicContact CG2-CE2 3.68Å; I133-F137 WeakPolarHBondContact O-CD2 3.33Å; I133-F137 PolarHBondContact O-N 3.35Å |
| 134 | A | 92.3 | Very high | 87.2 | Confident | 55 Ų | 55 | 98.1 Ų | 98.1 | 46% | 0.455 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -61 | -42.1 | 178.3 | 0 | 0 | 0 | 0 | 0 | 112.5 | I130 A131 V132 F137 Y138 | I130-A134 WeakPolarHBondContact O-CB 3.39Å; I130-A134 PolarHBondContact O-N 3.05Å; A131-A134 PolarHBondContact O-N 3.07Å; V132-A134 VanDerWaalsContact C-N 3.35Å; V132-A134 PolarHBondContact O-N 3.42Å; A134-F137 PolarHBondContact O-N 2.88Å; A134-Y138 VanDerWaalsContact O-CB 3.27Å; A134-Y138 WeakPolarHBondContact O-CB 3.09Å; A134-Y138 PolarHBondContact O-N 3.16Å |
| 135 | I | 91.9 | Very high | 85.7 | Confident | 108 Ų | 108 | 97.9 Ų | 97.9 | 55% | 0.554 | 50% | 0.504 | S | S | * | . | H | α-helix | trans | -62.7 | -45.6 | 175.6 | -66.4 | 162.8 | 0 | 0 | 0 | 110.5 | A131 V132 I133 Y138 V139 | A131-I135 VanDerWaalsContact O-CG1 3.29Å; A131-I135 WeakPolarHBondContact O-CG1 3.36Å; A131-I135 PolarHBondContact O-N 3.28Å; V132-I135 PolarHBondContact O-N 3.45Å; I133-I135 PolarHBondContact O-N 2.83Å; I135-Y138 WeakPolarHBondContact O-CB 3.48Å; I135-Y138 PolarHBondContact O-N 3.36Å; I135-V139 HydrophobicContact CG2-CG2 4.46Å; I135-V139 WeakPolarHBondContact O-CG2 3.41Å; I135-V139 PolarHBondContact O-N 2.99Å |
| 136 | V | 92.5 | Very high | 83.8 | Confident | 73 Ų | 73 | 99 Ų | 99 | 44% | 0.442 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -62 | -46.8 | 177.7 | 172.9 | 0 | 0 | 0 | 0 | 110.4 | V132 I133 Y138 V139 F140 | V132-V136 WeakPolarHBondContact O-CG2 3.5Å; V132-V136 PolarHBondContact O-N 3.49Å; I133-V136 PolarHBondContact O-N 3.21Å; V136-Y138 VanDerWaalsContact C-N 3.32Å; V136-Y138 PolarHBondContact O-N 3.46Å; V136-V139 PolarHBondContact O-N 3.11Å; V136-F140 HydrophobicContact CG1-CD2 3.62Å; V136-F140 HydrophobicContact CG1-CE2 3.82Å; V136-F140 WeakPolarHBondContact O-CB 3.35Å; V136-F140 WeakPolarHBondContact O-CD2 3.32Å; V136-F140 PolarHBondContact O-N 2.82Å |
| 137 | F | 89.6 | Confident | 81.8 | Confident | 140 Ų | 140 | 98.9 Ų | 98.9 | 61% | 0.614 | 52% | 0.52 | S | S | * | . | H | α-helix | trans | -60.9 | -40 | 174.9 | -93.2 | -79.9 | 0 | 0 | 0 | 112.3 | I133 A134 F140 K141 | I133-F137 HydrophobicContact CG2-CD2 3.54Å; I133-F137 HydrophobicContact CG2-CE2 3.68Å; I133-F137 WeakPolarHBondContact O-CD2 3.33Å; I133-F137 PolarHBondContact O-N 3.35Å; A134-F137 PolarHBondContact O-N 2.88Å; F137-F140 PolarHBondContact O-N 3.15Å; F137-K141 WeakPolarHBondContact O-CA 3.27Å; F137-K141 WeakPolarHBondContact O-CB 3.35Å; F137-K141 PolarHBondContact O-N 3.33Å |
| 138 | Y | 89.6 | Confident | 79.7 | Confident | 159 Ų | 159 | 99 Ų | 99 | 62% | 0.624 | 52% | 0.52 | S | S | * | . | H | α-helix | trans | -62.9 | -48.1 | 176.3 | -177.7 | -98.8 | 0 | 0 | 0 | 111 | A134 I135 V136 F140 K141 C142 | A134-Y138 VanDerWaalsContact O-CB 3.27Å; A134-Y138 WeakPolarHBondContact O-CB 3.09Å; A134-Y138 PolarHBondContact O-N 3.16Å; I135-Y138 WeakPolarHBondContact O-CB 3.48Å; I135-Y138 PolarHBondContact O-N 3.36Å; V136-Y138 VanDerWaalsContact C-N 3.32Å; V136-Y138 PolarHBondContact O-N 3.46Å; Y138-F140 PolarHBondContact O-N 3.03Å; Y138-K141 PolarHBondContact O-N 3.14Å; Y138-C142 WeakPolarHBondContact O-CB 3.42Å; Y138-C142 PolarHBondContact O-N 3.02Å; Y138-C142 PolarHBondContact O-SG 2.94Å |
| 139 | V | 89.8 | Confident | 77.5 | Confident | 69 Ų | 69 | 97.7 Ų | 97.7 | 42% | 0.418 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -63 | -42.2 | 176.4 | 174.1 | 0 | 0 | 0 | 0 | 111.4 | I135 V136 C142 R143 | I135-V139 HydrophobicContact CG2-CG2 4.46Å; I135-V139 WeakPolarHBondContact O-CG2 3.41Å; I135-V139 PolarHBondContact O-N 2.99Å; V136-V139 PolarHBondContact O-N 3.11Å; V139-C142 PolarHBondContact O-N 3.12Å; V139-R143 WeakPolarHBondContact O-CB 3.38Å; V139-R143 WeakPolarHBondContact O-CG 3.43Å; V139-R143 PolarHBondContact O-N 3.48Å |
| 140 | F | 83.9 | Confident | 75.2 | Confident | 106 Ų | 106 | 100.6 Ų | 100.6 | 47% | 0.465 | 54% | 0.537 | S | S | . | . | H | α-helix | trans | -66 | -37.8 | 175.1 | -95.5 | -78.1 | 0 | 0 | 0 | 112.4 | V136 F137 Y138 R143 R144 | V136-F140 HydrophobicContact CG1-CD2 3.62Å; V136-F140 HydrophobicContact CG1-CE2 3.82Å; V136-F140 WeakPolarHBondContact O-CB 3.35Å; V136-F140 WeakPolarHBondContact O-CD2 3.32Å; V136-F140 PolarHBondContact O-N 2.82Å; F137-F140 PolarHBondContact O-N 3.15Å; Y138-F140 PolarHBondContact O-N 3.03Å; F140-R143 PolarHBondContact O-N 2.73Å; F140-R144 WeakPolarHBondContact O-CB 3.32Å; F140-R144 WeakPolarHBondContact O-CG 3.44Å; F140-R144 PolarHBondContact O-N 2.89Å |
| 141 | K | 80.2 | Confident | 73.1 | Confident | 119 Ų | 119 | 100.9 Ų | 100.9 | 52% | 0.517 | 55% | 0.548 | S | S | . | . | H | α-helix | trans | -67.7 | -46.8 | 176.4 | -177.6 | 178.7 | 165 | 54.5 | 0 | 110 | F137 Y138 R143 R144 D145 | F137-K141 WeakPolarHBondContact O-CA 3.27Å; F137-K141 WeakPolarHBondContact O-CB 3.35Å; F137-K141 PolarHBondContact O-N 3.33Å; Y138-K141 PolarHBondContact O-N 3.14Å; K141-R143 VanDerWaalsContact C-N 3.31Å; K141-R143 PolarHBondContact O-N 3.49Å; K141-R144 CarbonylContact O-C 3.6Å; K141-R144 PolarHBondContact O-N 3.36Å; K141-R144 VanDerWaalsContact O-N 3.12Å; K141-D145 WeakPolarHBondContact CE-OD2 3.36Å; K141-D145 VanDerWaalsContact CG-OD2 3.24Å; K141-D145 WeakPolarHBondContact CG-OD2 3.29Å; K141-D145 IonicContact NZ-OD1 3.82Å; K141-D145 IonicContact NZ-OD2 3Å; K141-D145 PolarHBondContact NZ-OD2 3.31Å; K141-D145 WeakPolarHBondContact O-CB 3.35Å; K141-D145 VanDerWaalsContact O-CG 3.24Å; K141-D145 PolarHBondContact O-N 3.05Å |
| 142 | C | 76.1 | Confident | 70.9 | Confident | 50 Ų | 50 | 103.5 Ų | 103.5 | 34% | 0.338 | 56% | 0.564 | S | S | . | * | H | α-helix | trans | -56.9 | -43.5 | 171.8 | -67.4 | 0 | 0 | 0 | 0 | 111.5 | Y138 V139 D145 S146 | Y138-C142 WeakPolarHBondContact O-CB 3.42Å; Y138-C142 PolarHBondContact O-N 3.02Å; Y138-C142 PolarHBondContact O-SG 2.94Å; V139-C142 PolarHBondContact O-N 3.12Å; C142-D145 PolarHBondContact O-N 3.44Å; C142-S146 VanDerWaalsContact O-CB 3.3Å; C142-S146 WeakPolarHBondContact O-CB 3.35Å; C142-S146 PolarHBondContact O-N 3.05Å; C142-S146 PolarHBondContact O-OG 3.07Å |
| 143 | R | 76 | Confident | 68.8 | Low | 178 Ų | 178 | 107.5 Ų | 107.5 | 67% | 0.672 | 58% | 0.576 | S | S | * | * | H | α-helix | trans | -65.7 | -37.1 | 175.5 | -76.8 | -171.6 | 174.5 | -169.9 | -0.9 | 113.3 | V139 F140 K141 S147 | V139-R143 WeakPolarHBondContact O-CB 3.38Å; V139-R143 WeakPolarHBondContact O-CG 3.43Å; V139-R143 PolarHBondContact O-N 3.48Å; F140-R143 PolarHBondContact O-N 2.73Å; K141-R143 VanDerWaalsContact C-N 3.31Å; K141-R143 PolarHBondContact O-N 3.49Å; R143-S147 PolarHBondContact O-N 3.14Å; R143-S147 VanDerWaalsContact O-N 3.1Å; R143-S147 PolarHBondContact O-OG 3.33Å |
| 144 | R | 63.9 | Low | 66.4 | Low | 160 Ų | 160 | 114.2 Ų | 114.2 | 60% | 0.604 | 60% | 0.598 | S | S | * | * | H | α-helix | trans | -70.9 | -42.8 | 176.1 | -80.8 | -174.2 | 175.1 | 106 | -1.9 | 112 | F140 K141 S146 S147 A148 | F140-R144 WeakPolarHBondContact O-CB 3.32Å; F140-R144 WeakPolarHBondContact O-CG 3.44Å; F140-R144 PolarHBondContact O-N 2.89Å; K141-R144 CarbonylContact O-C 3.6Å; K141-R144 PolarHBondContact O-N 3.36Å; K141-R144 VanDerWaalsContact O-N 3.12Å; R144-S146 VanDerWaalsContact C-N 3.32Å; R144-S147 CarbonylContact O-C 3.48Å; R144-S147 WeakPolarHBondContact O-CA 3.2Å; R144-S147 WeakPolarHBondContact O-CB 3.2Å; R144-S147 PolarHBondContact O-N 2.9Å; R144-A148 WeakPolarHBondContact O-CB 3.38Å; R144-A148 PolarHBondContact O-N 3.5Å |
| 145 | D | 54.6 | Low | 64.1 | Low | 80 Ų | 80 | 120.8 Ų | 120.8 | 43% | 0.428 | 62% | 0.616 | S | S | . | * | H | α-helix | trans | -68.9 | -34.3 | 178.5 | -65 | -22 | 0 | 0 | 0 | 109.9 | K141 C142 S147 A148 S149 | K141-D145 WeakPolarHBondContact CE-OD2 3.36Å; K141-D145 VanDerWaalsContact CG-OD2 3.24Å; K141-D145 WeakPolarHBondContact CG-OD2 3.29Å; K141-D145 IonicContact NZ-OD1 3.82Å; K141-D145 IonicContact NZ-OD2 3Å; K141-D145 PolarHBondContact NZ-OD2 3.31Å; K141-D145 WeakPolarHBondContact O-CB 3.35Å; K141-D145 VanDerWaalsContact O-CG 3.24Å; K141-D145 PolarHBondContact O-N 3.05Å; C142-D145 PolarHBondContact O-N 3.44Å; D145-S147 VanDerWaalsContact C-N 3.27Å; D145-S147 PolarHBondContact O-N 3.42Å; D145-A148 PolarHBondContact O-N 2.86Å; D145-S149 WeakPolarHBondContact O-CB 3.38Å; D145-S149 PolarHBondContact O-N 3.33Å; D145-S149 VanDerWaalsContact O-N 3.09Å |
| 146 | S | 48.8 | Very low | 62 | Low | 87 Ų | 87 | 120.3 Ų | 120.3 | 61% | 0.608 | 62% | 0.623 | S | S | * | * | H | α-helix | trans | -64.8 | -27 | 166.6 | -66 | 0 | 0 | 0 | 0 | 113.6 | C142 R144 | C142-S146 VanDerWaalsContact O-CB 3.3Å; C142-S146 WeakPolarHBondContact O-CB 3.35Å; C142-S146 PolarHBondContact O-N 3.05Å; C142-S146 PolarHBondContact O-OG 3.07Å; R144-S146 VanDerWaalsContact C-N 3.32Å |
| 147 | S | 44 | Very low | 59.8 | Low | 100 Ų | 100 | 124.5 Ų | 124.5 | 70% | 0.699 | 64% | 0.641 | S | S | * | * | H | α-helix | trans | -88.4 | -16.1 | 177.3 | -54.7 | 0 | 0 | 0 | 0 | 113 | R143 R144 D145 | R143-S147 PolarHBondContact O-N 3.14Å; R143-S147 VanDerWaalsContact O-N 3.1Å; R143-S147 PolarHBondContact O-OG 3.33Å; R144-S147 CarbonylContact O-C 3.48Å; R144-S147 WeakPolarHBondContact O-CA 3.2Å; R144-S147 WeakPolarHBondContact O-CB 3.2Å; R144-S147 PolarHBondContact O-N 2.9Å; D145-S147 VanDerWaalsContact C-N 3.27Å; D145-S147 PolarHBondContact O-N 3.42Å |
| 148 | A | 46.1 | Very low | 57.9 | Low | 62 Ų | 62 | 123.4 Ų | 123.4 | 51% | 0.512 | 65% | 0.646 | S | S | . | * | H | α-helix | trans | -98.2 | -19.4 | -179.7 | 0 | 0 | 0 | 0 | 0 | 113.3 | R144 D145 D150 | R144-A148 WeakPolarHBondContact O-CB 3.38Å; R144-A148 PolarHBondContact O-N 3.5Å; D145-A148 PolarHBondContact O-N 2.86Å; A148-D150 VanDerWaalsContact C-N 3.34Å; A148-D150 PolarHBondContact O-N 3.03Å |
| 149 | S | 43.6 | Very low | 55.9 | Low | 87 Ų | 87 | 120.7 Ų | 120.7 | 61% | 0.608 | 66% | 0.656 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -83.7 | -1.2 | -176.4 | -158.7 | 0 | 0 | 0 | 0 | 115.2 | D145 | D145-S149 WeakPolarHBondContact O-CB 3.38Å; D145-S149 PolarHBondContact O-N 3.33Å; D145-S149 VanDerWaalsContact O-N 3.09Å |
| 150 | D | 45.6 | Very low | 54 | Low | 157 Ų | 157 | 124.8 Ų | 124.8 | 84% | 0.84 | 68% | 0.676 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -97.8 | 10.8 | -177.6 | -105.6 | -16.3 | 0 | 0 | 0 | 114.4 | A148 | A148-D150 VanDerWaalsContact C-N 3.34Å; A148-D150 PolarHBondContact O-N 3.03Å |
| 151 | S | 46.9 | Very low | 52.5 | Low | 108 Ų | 108 | 124.5 Ų | 124.5 | 76% | 0.755 | 69% | 0.693 | S | S | * | * | S | Bend | trans | -122.6 | 3.3 | -172.2 | 69.3 | 0 | 0 | 0 | 0 | 117 | | |
| 152 | S | 48.9 | Very low | 50.9 | Low | 101 Ų | 101 | 130.1 Ų | 130.1 | 71% | 0.706 | 71% | 0.713 | S | S | * | * | S | Bend | trans | -123.1 | -1.2 | -177.5 | 62.8 | 0 | 0 | 0 | 0 | 117.1 | | |
| 153 | E | 47.3 | Very low | 49.6 | Very low | 173 Ų | 173 | 134.5 Ų | 134.5 | 81% | 0.808 | 73% | 0.732 | S | S | * | * | S | Bend | trans | -109.2 | -1.2 | -178.3 | -120.6 | 175 | 173.2 | 0 | 0 | 115.4 | K155 | E153-K155 VanDerWaalsContact C-N 3.26Å; E153-K155 PolarHBondContact O-N 3.4Å; E153-K155 VanDerWaalsContact O-N 3.16Å |
| 154 | Y | 41.9 | Very low | 48.4 | Very low | 227 Ų | 227 | 134.6 Ų | 134.6 | 89% | 0.89 | 74% | 0.741 | S | S | * | * | S | Bend | trans | -88.8 | 50.7 | 172 | -112.6 | -88.2 | 0 | 0 | 0 | 112.2 | | |
| 155 | K | 45.8 | Very low | 47.9 | Very low | 193 Ų | 193 | 136.3 Ų | 136.3 | 84% | 0.839 | 75% | 0.753 | S | S | * | * | S | Bend | trans | -150.4 | 69.1 | 175.7 | -160.8 | -177.1 | -177.8 | -165.7 | 0 | 111.7 | E153 | E153-K155 VanDerWaalsContact C-N 3.26Å; E153-K155 PolarHBondContact O-N 3.4Å; E153-K155 VanDerWaalsContact O-N 3.16Å |
| 156 | S | 47.1 | Very low | 47.5 | Very low | 98 Ų | 98 | 139.6 Ų | 139.6 | 69% | 0.685 | 77% | 0.77 | S | S | * | * | | | trans | 162.2 | 64.6 | 152.3 | 171.6 | 0 | 0 | 0 | 0 | 110.7 | | |
| 157 | I | 46.8 | Very low | 47.4 | Very low | 160 Ų | 160 | 140.4 Ų | 140.4 | 82% | 0.821 | 78% | 0.775 | S | S | * | * | | | trans | -95.4 | 84 | 157.6 | -64.9 | 172.7 | 0 | 0 | 0 | 106.1 | | |
| 158 | T | 48.2 | Very low | 47.6 | Very low | 117 Ų | 117 | 147.4 Ų | 147.4 | 72% | 0.718 | 79% | 0.787 | S | S | * | * | | | trans | -120.8 | 83.2 | 163.7 | 21.6 | 0 | 0 | 0 | 0 | 107.4 | D160 | T158-D160 VanDerWaalsContact C-N 3.33Å; T158-D160 PolarHBondContact O-N 3.27Å |
| 159 | A | 48.2 | Very low | 47.5 | Very low | 102 Ų | 102 | 149.9 Ų | 149.9 | 84% | 0.843 | 80% | 0.8 | S | S | * | * | S | Bend | trans | 33.3 | 34.6 | 133.5 | 0 | 0 | 0 | 0 | 0 | 121.7 | | |
| 160 | D | 50.8 | Low | 47.7 | Very low | 156 Ų | 156 | 149.6 Ų | 149.6 | 83% | 0.834 | 80% | 0.803 | S | S | * | * | | | trans | -148.9 | 33.3 | -179.6 | -134.2 | -8.4 | 0 | 0 | 0 | 117.7 | T158 | T158-D160 VanDerWaalsContact C-N 3.33Å; T158-D160 PolarHBondContact O-N 3.27Å |
| 161 | A | 52.8 | Low | 47.9 | Very low | 100 Ų | 100 | 149.6 Ų | 149.6 | 83% | 0.826 | 80% | 0.802 | S | S | * | * | | | trans | -135.6 | 76.6 | 172.8 | 0 | 0 | 0 | 0 | 0 | 112.4 | D163 | A161-D163 PolarHBondContact O-N 3.18Š|
| 162 | Y | 46.6 | Very low | 47.9 | Very low | 237 Ų | 237 | 152 Ų | 152 | 93% | 0.929 | 81% | 0.806 | S | S | * | * | | | trans | -63.2 | 99.5 | 152.3 | -87 | -98.9 | 0 | 0 | 0 | 108.9 | | |
| 163 | D | 47 | Very low | 47.8 | Very low | 141 Ų | 141 | 151.8 Ų | 151.8 | 75% | 0.754 | 80% | 0.804 | S | S | * | * | | | trans | -147.3 | 115.1 | 152.1 | -166.9 | 11.1 | 0 | 0 | 0 | 110.7 | A161 K165 | A161-D163 PolarHBondContact O-N 3.18Å; D163-K165 PolarHBondContact O-N 2.91Å |
| 164 | E | 50.9 | Low | 47.7 | Very low | 181 Ų | 181 | 147 Ų | 147 | 85% | 0.846 | 80% | 0.802 | S | S | * | * | | | trans | -99.4 | 29.4 | -153.6 | -159.6 | -172.3 | 145.5 | 0 | 0 | 112.9 | | |
| 165 | K | 53.8 | Low | 47.8 | Very low | 196 Ų | 196 | 142.1 Ų | 142.1 | 85% | 0.852 | 80% | 0.799 | S | S | * | * | S | Bend | trans | -142.8 | 1.9 | -175 | -74.5 | -165.7 | 178.7 | 170.2 | 0 | 120.2 | D163 | D163-K165 PolarHBondContact O-N 2.91Š|
| 166 | N | 46.5 | Very low | 47.8 | Very low | 149 Ų | 149 | 142 Ų | 142 | 80% | 0.797 | 80% | 0.799 | S | S | * | * | S | Bend | trans | -140.7 | 10.2 | -164.9 | -153 | 41.7 | 0 | 0 | 0 | 120.7 | | |
| 167 | S | 46.3 | Very low | 47.5 | Very low | 103 Ų | 103 | 142.2 Ų | 142.2 | 72% | 0.72 | 80% | 0.801 | S | S | * | * | | | trans | -114.3 | 13.7 | -166.8 | -54.4 | 0 | 0 | 0 | 0 | 117 | S169 | S167-S169 PolarHBondContact O-N 2.99Š|
| 168 | R | 47.6 | Very low | 47.2 | Very low | 248 Ų | 248 | 141.4 Ų | 141.4 | 94% | 0.936 | 80% | 0.798 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -84.2 | 1.7 | -175.7 | -87.8 | -172.2 | 156.8 | -170.3 | -5.8 | 116.6 | | |
| 169 | S | 45.7 | Very low | 46.8 | Very low | 114 Ų | 114 | 143.7 Ų | 143.7 | 80% | 0.797 | 81% | 0.806 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -119.2 | 3.1 | -170.3 | -51.2 | 0 | 0 | 0 | 0 | 115.8 | S167 | S167-S169 PolarHBondContact O-N 2.99Š|
| 170 | A | 47.1 | Very low | 46.6 | Very low | 81 Ų | 81 | 144.7 Ų | 144.7 | 67% | 0.669 | 80% | 0.801 | S | S | * | * | S | Bend | trans | -101.4 | -11 | -172.2 | 0 | 0 | 0 | 0 | 0 | 115.3 | | |
| 171 | L | 49.7 | Very low | 46.2 | Very low | 157 Ų | 157 | 142.7 Ų | 142.7 | 82% | 0.822 | 81% | 0.807 | S | S | * | * | S | Bend | trans | -102.4 | 8.5 | -170.7 | -64.7 | 176.7 | 0 | 0 | 0 | 115.1 | | |
| 172 | L | 47.4 | Very low | 45.5 | Very low | 157 Ų | 157 | 139.9 Ų | 139.9 | 82% | 0.822 | 79% | 0.787 | S | S | * | * | S | Bend | trans | -128.1 | 2.8 | -174.2 | -82.6 | 159.2 | 0 | 0 | 0 | 115.2 | | |
| 173 | S | 46 | Very low | 45.2 | Very low | 97 Ų | 97 | 135.4 Ų | 135.4 | 68% | 0.678 | 78% | 0.779 | S | S | * | * | S | Bend | trans | -97.9 | 1.3 | -174.2 | 80.2 | 0 | 0 | 0 | 0 | 115.9 | | |
| 174 | G | 45.8 | Very low | 45 | Very low | 73 Ų | 73 | 140.6 Ų | 140.6 | 75% | 0.753 | 79% | 0.788 | S | S | * | * | S | Bend | trans | -82.9 | -20.3 | -170.5 | 0 | 0 | 0 | 0 | 0 | 117.2 | | |
| 175 | C | 44.9 | Very low | 44.6 | Very low | 125 Ų | 125 | 142 Ų | 142 | 85% | 0.845 | 79% | 0.787 | S | S | * | * | S | Bend | trans | -137.9 | 6.7 | -170 | -69.3 | 0 | 0 | 0 | 0 | 115.6 | | |
| 176 | F | 44.2 | Very low | 44.1 | Very low | 190 Ų | 190 | 135.7 Ų | 135.7 | 83% | 0.833 | 78% | 0.778 | S | S | * | * | | | trans | -130.4 | 85.6 | 174.4 | -81.9 | -86.5 | 0 | 0 | 0 | 109 | | |
| 177 | S | 41.1 | Very low | 43.9 | Very low | 103 Ų | 103 | 134.2 Ų | 134.2 | 72% | 0.72 | 77% | 0.774 | S | S | * | * | | | trans | -138.4 | 106.7 | 168.6 | -151.7 | 0 | 0 | 0 | 0 | 109.6 | | |
| 178 | N | 40.9 | Very low | 43.7 | Very low | 142 Ų | 142 | 136.6 Ų | 136.6 | 76% | 0.759 | 78% | 0.779 | S | S | * | * | S | Bend | trans | 61.4 | 88.1 | 161.6 | -63.4 | -39.2 | 0 | 0 | 0 | 117.3 | | |
| 179 | D | 39.2 | Very low | 43.7 | Very low | 165 Ų | 165 | 132.8 Ų | 132.8 | 88% | 0.882 | 77% | 0.771 | S | S | * | * | | | | -175.2 | 62.5 | 126.8 | -87.4 | -21.5 | 0 | 0 | 0 | 109.6 | | |
| 180 | T | 44.1 | Very low | 43.7 | Very low | 123 Ų | 123 | 131.9 Ų | 131.9 | 76% | 0.755 | 77% | 0.765 | S | S | * | * | | | trans | -116.1 | 80.1 | 169.9 | -49.6 | 0 | 0 | 0 | 0 | 108.5 | G182 | T180-G182 PolarHBondContact O-N 3.32Š|
| 181 | A | 42.3 | Very low | 43.4 | Very low | 114 Ų | 114 | 134 Ų | 134 | 94% | 0.942 | 77% | 0.77 | S | S | * | * | | | trans | -61.7 | 67.2 | 145.6 | 0 | 0 | 0 | 0 | 0 | 108.2 | | |
| 182 | G | 38.5 | Very low | 43.1 | Very low | 41 Ų | 41 | 134.9 Ų | 134.9 | 42% | 0.423 | 77% | 0.77 | S | S | . | * | | | trans | -120.1 | 110.6 | -178.7 | 0 | 0 | 0 | 0 | 0 | 108.1 | T180 R184 | T180-G182 PolarHBondContact O-N 3.32Å; G182-R184 PolarHBondContact O-N 2.73Å |
| 183 | L | 41.4 | Very low | 42.9 | Very low | 144 Ų | 144 | 133.9 Ų | 133.9 | 75% | 0.754 | 77% | 0.77 | S | S | * | * | | | trans | -2 | 107.7 | 164.3 | -81.8 | 72.2 | 0 | 0 | 0 | 114.8 | Y185 | L183-Y185 VanDerWaalsContact C-N 3.26Å; L183-Y185 HydrophobicContact CD2-CD2 4.46Å; L183-Y185 HydrophobicContact CD2-CE2 4.22Å; L183-Y185 PolarHBondContact O-N 3.16Å |
| 184 | R | 42.6 | Very low | 43 | Very low | 249 Ų | 249 | 137.9 Ų | 137.9 | 94% | 0.94 | 78% | 0.775 | S | S | * | * | | | trans | -63.6 | 89.3 | 158.4 | -65.9 | -171.4 | 178.9 | -136.7 | 0.8 | 108.7 | G182 G186 | G182-R184 PolarHBondContact O-N 2.73Å; R184-G186 PolarHBondContact O-N 3.43Å; R184-G186 VanDerWaalsContact O-N 3.15Å |
| 185 | Y | 42.5 | Very low | 43.2 | Very low | 210 Ų | 210 | 141.7 Ų | 141.7 | 82% | 0.824 | 78% | 0.778 | S | S | * | * | | | trans | -77.9 | 78.8 | 148.6 | -96.9 | -90.7 | 0 | 0 | 0 | 106.6 | L183 V187 | L183-Y185 VanDerWaalsContact C-N 3.26Å; L183-Y185 HydrophobicContact CD2-CD2 4.46Å; L183-Y185 HydrophobicContact CD2-CE2 4.22Å; L183-Y185 PolarHBondContact O-N 3.16Å; Y185-V187 PolarHBondContact O-N 3.43Å; Y185-V187 VanDerWaalsContact O-N 3.16Å |
| 186 | G | 42.6 | Very low | 43.4 | Very low | 64 Ų | 64 | 142.1 Ų | 142.1 | 66% | 0.66 | 78% | 0.777 | S | S | * | * | | | trans | -69.1 | 101.4 | 161.2 | 0 | 0 | 0 | 0 | 0 | 107 | R184 D188 | R184-G186 PolarHBondContact O-N 3.43Å; R184-G186 VanDerWaalsContact O-N 3.15Å; G186-D188 PolarHBondContact O-N 2.92Å |
| 187 | V | 41.8 | Very low | 43.8 | Very low | 118 Ų | 118 | 140.8 Ų | 140.8 | 72% | 0.715 | 77% | 0.771 | S | S | * | * | | | trans | -65.5 | 96.9 | 154 | 168.3 | 0 | 0 | 0 | 0 | 104.8 | Y185 E189 | Y185-V187 PolarHBondContact O-N 3.43Å; Y185-V187 VanDerWaalsContact O-N 3.16Å; V187-E189 HydrophobicContact CG1-CB 3.88Å; V187-E189 PolarHBondContact O-N 2.77Å |
| 188 | D | 42.5 | Very low | 43.8 | Very low | 154 Ų | 154 | 143.6 Ų | 143.6 | 82% | 0.824 | 77% | 0.772 | S | S | * | * | | | trans | -72.7 | 77.3 | 171.7 | -153.6 | -86.6 | 0 | 0 | 0 | 107.3 | G186 | G186-D188 PolarHBondContact O-N 2.92Š|
| 189 | E | 48.2 | Very low | 44.5 | Very low | 168 Ų | 168 | 148.5 Ų | 148.5 | 79% | 0.785 | 78% | 0.78 | S | S | * | * | | | trans | -109.8 | 66.1 | 170.7 | -170.3 | 178.1 | 175.5 | 0 | 0 | 107.2 | V187 | V187-E189 HydrophobicContact CG1-CB 3.88Å; V187-E189 PolarHBondContact O-N 2.77Å |
| 190 | S | 44.2 | Very low | 44.7 | Very low | 95 Ų | 95 | 151.9 Ų | 151.9 | 66% | 0.664 | 78% | 0.782 | S | S | * | * | S | Bend | trans | -171.7 | 115 | 154.1 | -133.3 | 0 | 0 | 0 | 0 | 113.1 | | |
| 191 | T | 42 | Very low | 44.9 | Very low | 125 Ų | 125 | 156 Ų | 156 | 77% | 0.767 | 81% | 0.807 | S | S | * | * | | | trans | 80 | 51.6 | 139.4 | 13.6 | 0 | 0 | 0 | 0 | 120.3 | | |
| 192 | E | 43.5 | Very low | 45 | Very low | 176 Ų | 176 | 158.1 Ų | 158.1 | 82% | 0.822 | 80% | 0.8 | S | S | * | * | | | trans | -139.3 | 65.7 | 153.9 | -73.3 | -160.3 | 158.3 | 0 | 0 | 113.6 | K194 | E192-K194 PolarHBondContact O-N 2.96Å; E192-K194 VanDerWaalsContact O-N 3.14Å |
| 193 | V | 43.6 | Very low | 45.4 | Very low | 135 Ų | 135 | 164.3 Ų | 164.3 | 82% | 0.818 | 82% | 0.82 | S | S | * | * | | | trans | -83.7 | 64.4 | 156.2 | -162.7 | 0 | 0 | 0 | 0 | 108.3 | | |
| 194 | K | 48.2 | Very low | 45.6 | Very low | 182 Ų | 182 | 165.4 Ų | 165.4 | 79% | 0.791 | 82% | 0.824 | S | S | * | * | | | trans | -114.3 | 66.2 | 169.1 | -90.7 | -175.6 | 177.2 | 175.4 | 0 | 109 | E192 | E192-K194 PolarHBondContact O-N 2.96Å; E192-K194 VanDerWaalsContact O-N 3.14Å |
| 195 | N | 48.5 | Very low | 45.8 | Very low | 152 Ų | 152 | 160.5 Ų | 160.5 | 81% | 0.813 | 82% | 0.817 | S | S | * | * | | | trans | -164 | 54.3 | 161.4 | -102 | -34.5 | 0 | 0 | 0 | 110.2 | K197 | N195-K197 VanDerWaalsContact C-N 3.31Å; N195-K197 PolarHBondContact O-N 3.47Å |
| 196 | V | 49 | Very low | 46 | Very low | 135 Ų | 135 | 157.4 Ų | 157.4 | 82% | 0.818 | 82% | 0.816 | S | S | * | * | | | trans | -91.3 | 82.7 | 157 | -178.9 | 0 | 0 | 0 | 0 | 106 | E198 | V196-E198 PolarHBondContact O-N 3.16Š|
| 197 | K | 52.3 | Low | 46.2 | Very low | 162 Ų | 162 | 163.6 Ų | 163.6 | 70% | 0.704 | 83% | 0.827 | S | S | * | * | | | trans | -74.2 | 106.4 | 171.2 | -170.2 | 172.2 | -177.3 | 174.8 | 0 | 107.6 | N195 | N195-K197 VanDerWaalsContact C-N 3.31Å; N195-K197 PolarHBondContact O-N 3.47Å |
| 198 | E | 42.5 | Very low | 46.5 | Very low | 161 Ų | 161 | 166.9 Ų | 166.9 | 75% | 0.752 | 84% | 0.835 | S | S | * | * | | | trans | 20.3 | 104.2 | 144.5 | -68 | 177 | 139.6 | 0 | 0 | 116.3 | V196 | V196-E198 PolarHBondContact O-N 3.16Š|
| 199 | W | 55.7 | Low | 46.8 | Very low | 245 Ų | 245 | 167.8 Ų | 167.8 | 93% | 0.928 | 84% | 0.836 | S | S | * | * | | | trans | -152.2 | 86.2 | 142.2 | -70.8 | 100.2 | 0 | 0 | 0 | 107.9 | | |
| 200 | Y | 42.2 | Very low | 46.7 | Very low | 236 Ų | 236 | 167.8 Ų | 167.8 | 93% | 0.925 | 84% | 0.84 | S | S | * | * | | | trans | -109.2 | 107.2 | 160.8 | -107.3 | -86.1 | 0 | 0 | 0 | 107 | | |
| 201 | V | 48.9 | Very low | 46.9 | Very low | 210 Ų | 210 | 174.5 Ų | 174.5 | 100% | 1.273 | 86% | 0.856 | S | S | * | * | | | trans | -140.1 | 0 | 150.7 | 178.8 | 0 | 0 | 0 | 0 | 106.3 | | |