| 1 | M | 37.1 | Very low | 34.5 | Very low | 244 Ų | 244 | 143.8 Ų | 143.8 | 100% | 1.202 | 85% | 0.847 | S | S | * | * | | | | 0 | 140.4 | 0 | -159.5 | -179.3 | -50 | 0 | 0 | 107.9 | | |
| 2 | L | 29.6 | Very low | 34.7 | Very low | 144 Ų | 144 | 140.1 Ų | 140.1 | 75% | 0.754 | 83% | 0.834 | S | S | * | * | | | trans | -58.1 | 143.6 | -177.2 | -147.2 | 74.1 | 0 | 0 | 0 | 112.4 | T4 | L2-T4 HydrophobicContact CD1-CG2 4.45Å; L2-T4 HydrophobicContact CD2-CG2 3.91Å; L2-T4 HydrophobicContact CG-CG2 3.97Å |
| 3 | A | 35 | Very low | 34.5 | Very low | 100 Ų | 100 | 146.3 Ų | 146.3 | 83% | 0.826 | 84% | 0.837 | S | S | * | * | | | trans | -137.9 | 84.2 | 149.8 | 0 | 0 | 0 | 0 | 0 | 108 | | |
| 4 | T | 31.9 | Very low | 34.5 | Very low | 112 Ų | 112 | 148.3 Ų | 148.3 | 69% | 0.687 | 84% | 0.841 | S | S | * | * | | | trans | -75 | 114.9 | 162.3 | 39.6 | 0 | 0 | 0 | 0 | 108.3 | L2 | L2-T4 HydrophobicContact CD1-CG2 4.45Å; L2-T4 HydrophobicContact CD2-CG2 3.91Å; L2-T4 HydrophobicContact CG-CG2 3.97Å |
| 5 | T | 39.9 | Very low | 34.3 | Very low | 143 Ų | 143 | 141.8 Ų | 141.8 | 88% | 0.877 | 82% | 0.82 | S | S | * | * | | | trans | -113.3 | 121.1 | 157.1 | 40.3 | 0 | 0 | 0 | 0 | 109.1 | | |
| 6 | Q | 29.6 | Very low | 35.2 | Very low | 188 Ų | 188 | 140.9 Ų | 140.9 | 88% | 0.879 | 82% | 0.82 | S | S | * | * | | | trans | -76.1 | 156.8 | -171.4 | -166.2 | 167.7 | -16.7 | 0 | 0 | 111 | | |
| 7 | P | 38.4 | Very low | 35.2 | Very low | 130 Ų | 130 | 138.8 Ų | 138.8 | 84% | 0.844 | 82% | 0.815 | S | S | * | * | | | trans | -91.2 | 147.4 | -169.2 | 28.5 | -19.8 | 0 | 0 | 0 | 113.4 | | |
| 8 | G | 34.6 | Very low | 35.1 | Very low | 65 Ų | 65 | 139.6 Ų | 139.6 | 67% | 0.67 | 82% | 0.816 | S | S | * | * | | | trans | -145.3 | 113.2 | 173.3 | 0 | 0 | 0 | 0 | 0 | 112.8 | | |
| 9 | I | 34.7 | Very low | 35 | Very low | 178 Ų | 178 | 140.5 Ų | 140.5 | 91% | 0.913 | 82% | 0.815 | S | S | * | * | | | trans | 56.8 | 100.5 | 147.7 | 61.4 | 163.6 | 0 | 0 | 0 | 120.9 | | |
| 10 | N | 34.7 | Very low | 34.9 | Very low | 168 Ų | 168 | 140.7 Ų | 140.7 | 90% | 0.898 | 81% | 0.812 | S | S | * | * | | | trans | -95.5 | 120.3 | 158.9 | 47.9 | -23.7 | 0 | 0 | 0 | 111.2 | | |
| 11 | S | 34.1 | Very low | 34.7 | Very low | 110 Ų | 110 | 139.2 Ų | 139.2 | 77% | 0.769 | 81% | 0.81 | S | S | * | * | | | trans | -98.7 | 135.1 | 172.4 | -176.3 | 0 | 0 | 0 | 0 | 111 | | |
| 12 | S | 37.1 | Very low | 34.5 | Very low | 99 Ų | 99 | 135.3 Ų | 135.3 | 69% | 0.692 | 79% | 0.792 | S | S | * | * | | | trans | 47.8 | 114.7 | 142.1 | 66.6 | 0 | 0 | 0 | 0 | 123.2 | | |
| 13 | Y | 31.5 | Very low | 34.5 | Very low | 221 Ų | 221 | 136.4 Ų | 136.4 | 87% | 0.867 | 79% | 0.793 | S | S | * | * | | | | 70.2 | 113 | 124 | -122.4 | -98.6 | 0 | 0 | 0 | 121.2 | | |
| 14 | I | 34.2 | Very low | 34.4 | Very low | 174 Ų | 174 | 137.4 Ų | 137.4 | 89% | 0.892 | 79% | 0.793 | S | S | * | * | | | trans | -129.2 | 129.5 | 157.7 | -71.7 | 159.3 | 0 | 0 | 0 | 108 | | |
| 15 | G | 31.5 | Very low | 34.4 | Very low | 51 Ų | 51 | 138.6 Ų | 138.6 | 53% | 0.526 | 79% | 0.794 | S | S | . | * | | | trans | -79.5 | 153.5 | -174.8 | 0 | 0 | 0 | 0 | 0 | 113.7 | | |
| 16 | P | 48.6 | Very low | 34.3 | Very low | 127 Ų | 127 | 136.9 Ų | 136.9 | 83% | 0.825 | 79% | 0.788 | S | S | * | * | | | trans | -102.9 | 82.7 | -178 | 36.2 | -27.6 | 0 | 0 | 0 | 110.8 | | |
| 17 | S | 35.5 | Very low | 34.3 | Very low | 105 Ų | 105 | 134 Ų | 134 | 73% | 0.734 | 78% | 0.783 | S | S | * | * | | | trans | -159.5 | 126.4 | 160 | -66.5 | 0 | 0 | 0 | 0 | 107.8 | | |
| 18 | D | 33.8 | Very low | 34.1 | Very low | 154 Ų | 154 | 134.1 Ų | 134.1 | 82% | 0.824 | 78% | 0.781 | S | S | * | * | | | trans | 90.4 | 98.4 | 173.5 | -45.4 | -23 | 0 | 0 | 0 | 115.2 | | |
| 19 | I | 33.3 | Very low | 34 | Very low | 157 Ų | 157 | 136.5 Ų | 136.5 | 81% | 0.805 | 79% | 0.787 | S | S | * | * | | | trans | 176.5 | 88.8 | 133.8 | -82.5 | 149.5 | 0 | 0 | 0 | 106.5 | | |
| 20 | L | 32.2 | Very low | 34.1 | Very low | 144 Ų | 144 | 133.6 Ų | 133.6 | 75% | 0.754 | 78% | 0.78 | S | S | * | * | | | | 83.4 | 106.5 | 103.2 | -68.6 | 167.6 | 0 | 0 | 0 | 115.2 | | |
| 21 | S | 30.6 | Very low | 33.9 | Very low | 109 Ų | 109 | 133 Ų | 133 | 76% | 0.762 | 78% | 0.777 | S | S | * | * | | | trans | 42.8 | 103.5 | 130.2 | -42.3 | 0 | 0 | 0 | 0 | 119.5 | | |
| 22 | I | 33.7 | Very low | 33.8 | Very low | 162 Ų | 162 | 136 Ų | 136 | 83% | 0.831 | 78% | 0.78 | S | S | * | * | | | trans | -133.8 | 102.6 | 144.5 | -54 | 178.7 | 0 | 0 | 0 | 108.7 | | |
| 23 | E | 29.1 | Very low | 33.4 | Very low | 167 Ų | 167 | 137 Ų | 137 | 78% | 0.78 | 78% | 0.782 | S | S | * | * | | | trans | -66.9 | 122 | 164.3 | -177.1 | 177.7 | -161.8 | 0 | 0 | 108.6 | I25 | E23-I25 HydrophobicContact CG-CG1 4.2Š|
| 24 | C | 33.4 | Very low | 33.2 | Very low | 121 Ų | 121 | 134.6 Ų | 134.6 | 82% | 0.818 | 78% | 0.784 | S | S | * | * | | | trans | -130.2 | 87 | 171.3 | -135.9 | 0 | 0 | 0 | 0 | 108.8 | S26 | C24-S26 PolarHBondContact O-N 2.73Š|
| 25 | I | 31.1 | Very low | 32.9 | Very low | 138 Ų | 138 | 132.3 Ų | 132.3 | 71% | 0.708 | 78% | 0.783 | S | S | * | * | | | trans | -70.6 | 106.4 | 167.5 | 6.4 | 172.8 | 0 | 0 | 0 | 107.7 | E23 | E23-I25 HydrophobicContact CG-CG1 4.2Š|
| 26 | S | 38.3 | Very low | 32.8 | Very low | 107 Ų | 107 | 132.7 Ų | 132.7 | 75% | 0.748 | 79% | 0.787 | S | S | * | * | | | trans | -117 | 86.5 | 166.2 | 166.4 | 0 | 0 | 0 | 0 | 108.8 | C24 V28 | C24-S26 PolarHBondContact O-N 2.73Å; S26-V28 PolarHBondContact O-N 3.32Å |
| 27 | T | 29.5 | Very low | 31.9 | Very low | 128 Ų | 128 | 131.9 Ų | 131.9 | 79% | 0.785 | 78% | 0.784 | S | S | * | * | | | trans | -76.9 | 103.5 | 165.7 | 43.9 | 0 | 0 | 0 | 0 | 110.1 | | |
| 28 | V | 34.5 | Very low | 31.6 | Very low | 132 Ų | 132 | 132.8 Ų | 132.8 | 80% | 0.8 | 78% | 0.781 | S | S | * | * | | | trans | -141.4 | 104.4 | 158.9 | -179.3 | 0 | 0 | 0 | 0 | 109.1 | S26 | S26-V28 PolarHBondContact O-N 3.32Š|
| 29 | S | 32.4 | Very low | 31.6 | Very low | 114 Ų | 114 | 129.7 Ų | 129.7 | 80% | 0.797 | 77% | 0.771 | S | S | * | * | | | trans | -88.5 | 164.7 | 148.6 | -71.4 | 0 | 0 | 0 | 0 | 107.8 | | |
| 30 | P | 37.2 | Very low | 31.6 | Very low | 118 Ų | 118 | 129 Ų | 129 | 77% | 0.766 | 78% | 0.775 | S | S | * | * | | | cis | -140.4 | 171.9 | 28.6 | 38 | -16.4 | 0 | 0 | 0 | 117 | | |
| 31 | D | 29.9 | Very low | 31.4 | Very low | 154 Ų | 154 | 127.4 Ų | 127.4 | 82% | 0.824 | 78% | 0.776 | S | S | * | * | | | trans | -32.8 | 136 | 171.5 | -55.6 | -56.4 | 0 | 0 | 0 | 116.9 | | |
| 32 | M | 32.3 | Very low | 31.6 | Very low | 173 Ų | 173 | 127.9 Ų | 127.9 | 85% | 0.852 | 77% | 0.774 | S | S | * | * | | | | -174.7 | 121.9 | 125 | -108.3 | 173.5 | 40.4 | 0 | 0 | 113.1 | | |
| 33 | V | 28.7 | Very low | 31.5 | Very low | 121 Ų | 121 | 126.8 Ų | 126.8 | 73% | 0.733 | 78% | 0.775 | S | S | * | * | | | trans | 73.3 | 93.8 | 146.3 | -172.5 | 0 | 0 | 0 | 0 | 115.6 | | |
| 34 | L | 27.8 | Very low | 31.5 | Very low | 171 Ų | 171 | 124.6 Ų | 124.6 | 90% | 0.895 | 77% | 0.772 | S | S | * | * | | | | 36.8 | 87.6 | 78.4 | -78 | 167.7 | 0 | 0 | 0 | 114.3 | | |
| 35 | S | 28.3 | Very low | 31.6 | Very low | 125 Ų | 125 | 124.6 Ų | 124.6 | 87% | 0.874 | 77% | 0.774 | S | S | * | * | | | | 177.8 | 130.2 | 127.4 | -171.7 | 0 | 0 | 0 | 0 | 110 | | |
| 36 | G | 28.1 | Very low | 31.7 | Very low | 60 Ų | 60 | 125.4 Ų | 125.4 | 62% | 0.619 | 78% | 0.78 | S | S | * | * | | | trans | 94.8 | 83.4 | 151.4 | 0 | 0 | 0 | 0 | 0 | 116 | | |
| 37 | S | 30.3 | Very low | 31.8 | Very low | 109 Ų | 109 | 127.4 Ų | 127.4 | 76% | 0.762 | 79% | 0.787 | S | S | * | * | | | | 65.5 | 105.5 | 123.2 | -54.2 | 0 | 0 | 0 | 0 | 119.1 | | |
| 38 | D | 29.8 | Very low | 31.9 | Very low | 125 Ų | 125 | 124.8 Ų | 124.8 | 67% | 0.668 | 79% | 0.786 | S | S | * | * | | | | 56.5 | 93.5 | 130 | -50 | -15.4 | 0 | 0 | 0 | 118.9 | | |
| 39 | S | 32.7 | Very low | 31.7 | Very low | 88 Ų | 88 | 125.1 Ų | 125.1 | 62% | 0.615 | 79% | 0.792 | S | S | * | * | | | trans | 105.8 | 97.6 | 149 | -45.4 | 0 | 0 | 0 | 0 | 118.2 | | |
| 40 | T | 33 | Very low | 31.7 | Very low | 144 Ų | 144 | 124.9 Ų | 124.9 | 88% | 0.883 | 79% | 0.791 | S | S | * | * | | | trans | 63.2 | 110.1 | 144 | 55.2 | 0 | 0 | 0 | 0 | 121.1 | | |
| 41 | S | 30 | Very low | 31.5 | Very low | 110 Ų | 110 | 128.1 Ų | 128.1 | 77% | 0.769 | 80% | 0.795 | S | S | * | * | | | trans | -153.6 | 106.7 | 153.6 | 174.5 | 0 | 0 | 0 | 0 | 112.5 | | |
| 42 | T | 34.5 | Very low | 31.8 | Very low | 119 Ų | 119 | 128.2 Ų | 128.2 | 73% | 0.73 | 80% | 0.796 | S | S | * | * | | | trans | 20.4 | 132 | 145.3 | 60.7 | 0 | 0 | 0 | 0 | 122.4 | | |
| 43 | V | 30.4 | Very low | 31.9 | Very low | 139 Ų | 139 | 126 Ų | 126 | 84% | 0.842 | 79% | 0.793 | S | S | * | * | | | trans | -155.5 | 102 | 132.2 | -172.7 | 0 | 0 | 0 | 0 | 107.8 | | |
| 44 | V | 29 | Very low | 32.3 | Very low | 120 Ų | 120 | 126 Ų | 126 | 73% | 0.727 | 80% | 0.798 | S | S | * | * | | | | 50.4 | 115 | 99.8 | -172.6 | 0 | 0 | 0 | 0 | 115.8 | | |
| 45 | S | 36.8 | Very low | 32.8 | Very low | 122 Ų | 122 | 122.8 Ų | 122.8 | 85% | 0.853 | 79% | 0.79 | S | S | * | * | | | trans | -159.2 | 99.6 | 135.6 | -72.7 | 0 | 0 | 0 | 0 | 108.8 | | |
| 46 | D | 32.2 | Very low | 33.2 | Very low | 155 Ų | 155 | 125 Ų | 125 | 83% | 0.829 | 79% | 0.789 | S | S | * | * | | | trans | -61.1 | 130.1 | 149.4 | -87.2 | -43.8 | 0 | 0 | 0 | 107.9 | | |
| 47 | V | 40.6 | Very low | 33.7 | Very low | 149 Ų | 149 | 125.4 Ų | 125.4 | 90% | 0.903 | 79% | 0.794 | S | S | * | * | | | trans | -165.4 | 114.3 | 140.7 | 157.2 | 0 | 0 | 0 | 0 | 108.8 | | |
| 48 | G | 31.2 | Very low | 34.1 | Very low | 73 Ų | 73 | 127.4 Ų | 127.4 | 75% | 0.753 | 80% | 0.797 | S | S | * | * | | | trans | 89.8 | 86.8 | 134.9 | 0 | 0 | 0 | 0 | 0 | 118.8 | | |
| 49 | C | 30.5 | Very low | 34.7 | Very low | 138 Ų | 138 | 127 Ų | 127 | 93% | 0.932 | 80% | 0.803 | S | S | * | * | | | trans | -75.7 | 133.8 | 145.4 | -62.3 | 0 | 0 | 0 | 0 | 109.7 | | |
| 50 | S | 33.1 | Very low | 35.6 | Very low | 110 Ų | 110 | 129.5 Ų | 129.5 | 77% | 0.769 | 81% | 0.808 | S | S | * | * | | | trans | -147.5 | 101.1 | 148.7 | 58.2 | 0 | 0 | 0 | 0 | 109.9 | | |
| 51 | E | 32.6 | Very low | 35.9 | Very low | 185 Ų | 185 | 129.6 Ų | 129.6 | 86% | 0.864 | 80% | 0.803 | S | S | * | * | | | trans | -78.1 | 120.8 | 163.6 | -76.1 | 178.2 | 140.5 | 0 | 0 | 108.8 | | |
| 52 | N | 37.3 | Very low | 36.5 | Very low | 156 Ų | 156 | 129.7 Ų | 129.7 | 83% | 0.834 | 80% | 0.799 | S | S | * | * | | | trans | -114.7 | 107.3 | 159.5 | -78.9 | 38.7 | 0 | 0 | 0 | 107.4 | | |
| 53 | T | 34.1 | Very low | 36.7 | Very low | 128 Ų | 128 | 131.5 Ų | 131.5 | 79% | 0.785 | 80% | 0.804 | S | S | * | * | | | trans | -74.8 | 129.5 | 176.1 | 45.4 | 0 | 0 | 0 | 0 | 111.3 | | |
| 54 | S | 35.5 | Very low | 37 | Very low | 121 Ų | 121 | 130.1 Ų | 130.1 | 85% | 0.846 | 79% | 0.792 | S | S | * | * | | | trans | 37.9 | 104.9 | 138.2 | 163.8 | 0 | 0 | 0 | 0 | 118.5 | | |
| 55 | S | 38.2 | Very low | 37.7 | Very low | 103 Ų | 103 | 133.7 Ų | 133.7 | 72% | 0.72 | 80% | 0.798 | S | S | * | * | | | trans | -143.6 | 115.4 | 157 | -175.4 | 0 | 0 | 0 | 0 | 111.1 | | |
| 56 | I | 36.7 | Very low | 37.9 | Very low | 170 Ų | 170 | 135.8 Ų | 135.8 | 87% | 0.872 | 80% | 0.799 | S | S | * | * | | | trans | 76.1 | 112.2 | 154.2 | -54.1 | 156.4 | 0 | 0 | 0 | 118.3 | | |
| 57 | G | 39 | Very low | 38.1 | Very low | 70 Ų | 70 | 135.6 Ų | 135.6 | 72% | 0.722 | 79% | 0.793 | S | S | * | * | | | trans | -178.9 | 20.7 | 163.3 | 0 | 0 | 0 | 0 | 0 | 116.9 | S59 | G57-S59 PolarHBondContact O-N 2.94Š|
| 58 | N | 39.7 | Very low | 38 | Very low | 151 Ų | 151 | 135.6 Ų | 135.6 | 81% | 0.807 | 79% | 0.793 | S | S | * | * | | | trans | -76.9 | 102 | 169.5 | -73.6 | -1.5 | 0 | 0 | 0 | 108.9 | I60 | N58-I60 HydrophobicContact CB-CG1 4.45Å; N58-I60 PolarHBondContact O-N 2.73Å |
| 59 | S | 41.3 | Very low | 38.3 | Very low | 115 Ų | 115 | 136.9 Ų | 136.9 | 80% | 0.804 | 79% | 0.786 | S | S | * | * | | | trans | -75.2 | 105.5 | 164.9 | 72 | 0 | 0 | 0 | 0 | 109.1 | G57 L61 | G57-S59 PolarHBondContact O-N 2.94Å; S59-L61 VanDerWaalsContact C-N 3.28Å; S59-L61 PolarHBondContact O-N 2.87Å |
| 60 | I | 51.7 | Low | 38.7 | Very low | 142 Ų | 142 | 138.4 Ų | 138.4 | 73% | 0.728 | 78% | 0.783 | S | S | * | * | | | trans | -93 | 60.7 | 172.8 | -54.2 | 170.4 | 0 | 0 | 0 | 107.6 | N58 | N58-I60 HydrophobicContact CB-CG1 4.45Å; N58-I60 PolarHBondContact O-N 2.73Å |
| 61 | L | 39.9 | Very low | 38.5 | Very low | 146 Ų | 146 | 138 Ų | 138 | 76% | 0.764 | 78% | 0.78 | S | S | * | * | | | trans | -118.4 | 82.8 | 162.5 | -69.5 | 175.6 | 0 | 0 | 0 | 106.5 | S59 D63 | S59-L61 VanDerWaalsContact C-N 3.28Å; S59-L61 PolarHBondContact O-N 2.87Å; L61-D63 VanDerWaalsContact C-N 3.33Å; L61-D63 PolarHBondContact O-N 2.89Å; L61-D63 VanDerWaalsContact O-N 3.14Å |
| 62 | T | 43 | Very low | 38.7 | Very low | 112 Ų | 112 | 134.8 Ų | 134.8 | 69% | 0.687 | 78% | 0.776 | S | S | * | * | | | trans | -68 | 96.4 | 159.1 | 45 | 0 | 0 | 0 | 0 | 106.7 | N64 | T62-N64 PolarHBondContact O-N 2.99Š|
| 63 | D | 38.5 | Very low | 38.6 | Very low | 156 Ų | 156 | 134 Ų | 134 | 83% | 0.834 | 77% | 0.77 | S | S | * | * | | | trans | -68.4 | 87.9 | 165.4 | -74 | -22.4 | 0 | 0 | 0 | 107.7 | L61 | L61-D63 VanDerWaalsContact C-N 3.33Å; L61-D63 PolarHBondContact O-N 2.89Å; L61-D63 VanDerWaalsContact O-N 3.14Å |
| 64 | N | 37 | Very low | 38.6 | Very low | 111 Ų | 111 | 137.8 Ų | 137.8 | 59% | 0.594 | 78% | 0.776 | S | S | * | * | | | trans | -49.7 | 131 | 170.8 | -89.6 | -16 | 0 | 0 | 0 | 110.8 | T62 L66 | T62-N64 PolarHBondContact O-N 2.99Å; N64-L66 PolarHBondContact O-N 2.98Å |
| 65 | F | 42.6 | Very low | 38.5 | Very low | 194 Ų | 194 | 140.1 Ų | 140.1 | 85% | 0.851 | 77% | 0.773 | S | S | * | * | | | trans | 39 | 66.7 | 136.6 | -60 | -85.5 | 0 | 0 | 0 | 116.8 | | |
| 66 | L | 40.2 | Very low | 38.3 | Very low | 167 Ų | 167 | 144.6 Ų | 144.6 | 87% | 0.874 | 78% | 0.783 | S | S | * | * | | | trans | -96.4 | 92.1 | 154 | -70.4 | 174.1 | 0 | 0 | 0 | 109.1 | N64 | N64-L66 PolarHBondContact O-N 2.98Š|
| 67 | E | 37.5 | Very low | 38.2 | Very low | 150 Ų | 150 | 147.7 Ų | 147.7 | 70% | 0.701 | 78% | 0.784 | S | S | * | * | | | trans | 78.8 | 73.8 | 133.1 | -147.3 | 166.5 | -162.5 | 0 | 0 | 118.5 | V69 | E67-V69 HydrophobicContact CG-CB 3.89Å; E67-V69 HydrophobicContact CG-CG2 3.89Å; E67-V69 PolarHBondContact O-N 3.23Å; E67-V69 VanDerWaalsContact O-N 3.13Å |
| 68 | T | 38 | Very low | 38 | Very low | 149 Ų | 149 | 154.7 Ų | 154.7 | 91% | 0.914 | 79% | 0.794 | S | S | * | * | | | trans | -71.9 | 82.3 | 140 | -57.5 | 0 | 0 | 0 | 0 | 108.4 | | |
| 69 | V | 37.6 | Very low | 37.8 | Very low | 100 Ų | 100 | 151 Ų | 151 | 61% | 0.606 | 79% | 0.792 | S | S | * | * | | | trans | -140 | 80.3 | 161.6 | -171.7 | 0 | 0 | 0 | 0 | 109.4 | E67 | E67-V69 HydrophobicContact CG-CB 3.89Å; E67-V69 HydrophobicContact CG-CG2 3.89Å; E67-V69 PolarHBondContact O-N 3.23Å; E67-V69 VanDerWaalsContact O-N 3.13Å |
| 70 | I | 39.8 | Very low | 37.6 | Very low | 170 Ų | 170 | 150.9 Ų | 150.9 | 87% | 0.872 | 80% | 0.798 | S | S | * | * | | | trans | -134.8 | 86.1 | 150.4 | -47.9 | 178.2 | 0 | 0 | 0 | 108 | | |
| 71 | S | 27.9 | Very low | 37 | Very low | 101 Ų | 101 | 149.7 Ų | 149.7 | 71% | 0.706 | 80% | 0.802 | S | S | * | * | | | trans | -71.6 | 160 | 145.9 | -62.6 | 0 | 0 | 0 | 0 | 108.2 | | |
| 72 | P | 38.2 | Very low | 37.1 | Very low | 118 Ų | 118 | 147.6 Ų | 147.6 | 77% | 0.766 | 80% | 0.8 | S | S | * | * | | | cis | -139.3 | 165.3 | 21.4 | 37.7 | -16.9 | 0 | 0 | 0 | 117.5 | | |
| 73 | I | 33.2 | Very low | 37 | Very low | 139 Ų | 139 | 151 Ų | 151 | 71% | 0.713 | 81% | 0.805 | S | S | * | * | | | trans | -26.7 | 120.2 | 158.2 | -62 | 149 | 0 | 0 | 0 | 114.6 | Q75 | I73-Q75 HydrophobicContact CG2-CB 4.4Å; I73-Q75 HydrophobicContact CG2-CG 4.06Å |
| 74 | K | 35.4 | Very low | 37.1 | Very low | 208 Ų | 208 | 151.1 Ų | 151.1 | 90% | 0.904 | 80% | 0.804 | S | S | * | * | | | trans | -123.7 | 91.6 | 140.4 | -72.7 | -164 | 178.3 | -172.2 | 0 | 108.4 | E76 | K74-E76 PolarHBondContact O-N 2.83Š|
| 75 | Q | 32 | Very low | 37.5 | Very low | 171 Ų | 171 | 152.8 Ų | 152.8 | 80% | 0.799 | 81% | 0.813 | S | S | * | * | | | trans | -60.7 | 117.1 | 157.2 | -82.3 | 166.1 | -7.8 | 0 | 0 | 107.2 | I73 | I73-Q75 HydrophobicContact CG2-CB 4.4Å; I73-Q75 HydrophobicContact CG2-CG 4.06Å |
| 76 | E | 35.7 | Very low | 37.5 | Very low | 196 Ų | 196 | 148.6 Ų | 148.6 | 92% | 0.916 | 81% | 0.808 | S | S | * | * | | | trans | -161.5 | 140.2 | 147.2 | -114.3 | 175.6 | -155.3 | 0 | 0 | 110.8 | K74 | K74-E76 PolarHBondContact O-N 2.83Š|
| 77 | R | 34.3 | Very low | 37.8 | Very low | 236 Ų | 236 | 145.9 Ų | 145.9 | 89% | 0.891 | 80% | 0.8 | S | S | * | * | | | trans | 88.4 | 82.8 | 167 | -135 | 168.1 | -152.8 | 166.6 | 6.2 | 118.4 | G79 | R77-G79 PolarHBondContact O-N 2.86Š|
| 78 | F | 35.2 | Very low | 38.5 | Very low | 216 Ų | 216 | 146 Ų | 146 | 95% | 0.947 | 81% | 0.805 | S | S | * | * | | | trans | -43.9 | 127.3 | 141.2 | -68.8 | -87.4 | 0 | 0 | 0 | 111 | | |
| 79 | G | 34.6 | Very low | 39.1 | Very low | 74 Ų | 74 | 143.5 Ų | 143.5 | 76% | 0.763 | 79% | 0.793 | S | S | * | * | | | trans | -172.4 | 60.8 | 177.1 | 0 | 0 | 0 | 0 | 0 | 111 | R77 S81 | R77-G79 PolarHBondContact O-N 2.86Å; G79-S81 PolarHBondContact O-N 2.78Å |
| 80 | A | 37.7 | Very low | 39.6 | Very low | 112 Ų | 112 | 145 Ų | 145 | 93% | 0.926 | 80% | 0.797 | S | S | * | * | | | trans | -74.7 | 98.3 | 171.8 | 0 | 0 | 0 | 0 | 0 | 109.7 | | |
| 81 | S | 39.4 | Very low | 40.2 | Very low | 117 Ų | 117 | 145.6 Ų | 145.6 | 82% | 0.818 | 80% | 0.796 | S | S | * | * | | | trans | -121.2 | 107.1 | 154.8 | 71.8 | 0 | 0 | 0 | 0 | 109.3 | G79 | G79-S81 PolarHBondContact O-N 2.78Š|
| 82 | S | 42.1 | Very low | 41.4 | Very low | 103 Ų | 103 | 149.2 Ų | 149.2 | 72% | 0.72 | 80% | 0.799 | S | S | * | * | | | trans | -64.7 | 148.2 | 177.4 | -174.7 | 0 | 0 | 0 | 0 | 112.4 | | |
| 83 | K | 39.8 | Very low | 42.2 | Very low | 182 Ų | 182 | 147.5 Ų | 147.5 | 79% | 0.791 | 79% | 0.789 | S | S | * | * | | | trans | 69.2 | 107.6 | 165.9 | -63.7 | 165.2 | -178.2 | -178.6 | 0 | 115.5 | | |
| 84 | I | 40.7 | Very low | 43.3 | Very low | 160 Ų | 160 | 147.7 Ų | 147.7 | 82% | 0.821 | 79% | 0.791 | S | S | * | * | | | | -178.6 | 162.8 | 104.2 | 16.2 | 152 | 0 | 0 | 0 | 108.9 | | |
| 85 | N | 46.1 | Very low | 44.4 | Very low | 146 Ų | 146 | 146.2 Ų | 146.2 | 78% | 0.781 | 79% | 0.787 | S | S | * | * | | | trans | 107.5 | 61.4 | 175.3 | -47.2 | -18.2 | 0 | 0 | 0 | 112.8 | | |
| 86 | S | 41.1 | Very low | 45.3 | Very low | 105 Ų | 105 | 144.7 Ų | 144.7 | 73% | 0.734 | 79% | 0.785 | S | S | * | * | | | | 77.4 | 123.4 | 83.2 | -167.2 | 0 | 0 | 0 | 0 | 112.4 | L88 | S86-L88 PolarHBondContact O-N 2.81Š|
| 87 | P | 48.1 | Very low | 46.4 | Very low | 110 Ų | 110 | 141.3 Ų | 141.3 | 71% | 0.714 | 77% | 0.772 | S | S | * | * | | | trans | -67 | 128.8 | -169.2 | 28.9 | -33.3 | 0 | 0 | 0 | 109.4 | S89 | P87-S89 PolarHBondContact O-N 2.86Š|
| 88 | L | 52 | Low | 47.5 | Very low | 153 Ų | 153 | 138.7 Ų | 138.7 | 80% | 0.801 | 77% | 0.767 | S | S | * | * | | | trans | -64.9 | 87 | 172.2 | -131.6 | 73.4 | 0 | 0 | 0 | 108.1 | S86 I90 | S86-L88 PolarHBondContact O-N 2.81Å; L88-I90 HydrophobicContact CB-CG1 4.3Å; L88-I90 HydrophobicContact CD2-CD1 3.97Å; L88-I90 HydrophobicContact CD2-CG1 4.07Å; L88-I90 HydrophobicContact CG-CG1 4.13Å; L88-I90 PolarHBondContact O-N 2.96Å |
| 89 | S | 49.6 | Very low | 49 | Very low | 96 Ų | 96 | 134.2 Ų | 134.2 | 67% | 0.671 | 76% | 0.757 | S | S | * | * | | | trans | -67 | 69.3 | 166.4 | 50.7 | 0 | 0 | 0 | 0 | 108.5 | P87 Q91 | P87-S89 PolarHBondContact O-N 2.86Å; S89-Q91 PolarHBondContact O-N 3.48Å |
| 90 | I | 49.6 | Very low | 50.3 | Low | 131 Ų | 131 | 136.9 Ų | 136.9 | 67% | 0.672 | 75% | 0.749 | S | S | * | * | | | trans | -76.7 | 53.4 | 161.1 | -30.6 | 177 | 0 | 0 | 0 | 108.1 | L88 K92 | L88-I90 HydrophobicContact CB-CG1 4.3Å; L88-I90 HydrophobicContact CD2-CD1 3.97Å; L88-I90 HydrophobicContact CD2-CG1 4.07Å; L88-I90 HydrophobicContact CG-CG1 4.13Å; L88-I90 PolarHBondContact O-N 2.96Å; I90-K92 HydrophobicContact CG2-CB 4.29Å; I90-K92 PolarHBondContact O-N 3.01Å; I90-K92 VanDerWaalsContact O-N 3.13Å |
| 91 | Q | 52.1 | Low | 51.6 | Low | 183 Ų | 183 | 136.5 Ų | 136.5 | 86% | 0.855 | 74% | 0.74 | S | S | * | * | | | trans | -77 | 39.9 | 155.8 | -77.9 | -176.7 | -34.9 | 0 | 0 | 109.3 | S89 S93 | S89-Q91 PolarHBondContact O-N 3.48Å; Q91-S93 VanDerWaalsContact C-N 3.29Å; Q91-S93 PolarHBondContact O-N 2.83Å; Q91-S93 VanDerWaalsContact O-N 3.1Å |
| 92 | K | 53.3 | Low | 52.8 | Low | 178 Ų | 178 | 138.1 Ų | 138.1 | 77% | 0.774 | 73% | 0.734 | S | S | * | * | | | trans | -84.6 | 87 | 168.1 | -70 | -160.6 | 179.3 | -173.9 | 0 | 107.7 | I90 L94 | I90-K92 HydrophobicContact CG2-CB 4.29Å; I90-K92 PolarHBondContact O-N 3.01Å; I90-K92 VanDerWaalsContact O-N 3.13Å; K92-L94 PolarHBondContact O-N 3.18Å |
| 93 | S | 53.4 | Low | 54 | Low | 81 Ų | 81 | 140.8 Ų | 140.8 | 57% | 0.566 | 74% | 0.74 | S | S | * | * | | | trans | 41.5 | 72.5 | 134.3 | -170.5 | 0 | 0 | 0 | 0 | 114.6 | Q91 | Q91-S93 VanDerWaalsContact C-N 3.29Å; Q91-S93 PolarHBondContact O-N 2.83Å; Q91-S93 VanDerWaalsContact O-N 3.1Å |
| 94 | L | 56.3 | Low | 55.4 | Low | 144 Ų | 144 | 141.3 Ų | 141.3 | 75% | 0.754 | 74% | 0.742 | S | S | * | * | | | trans | -79.6 | 2.1 | 153.5 | -74.4 | 169.6 | 0 | 0 | 0 | 111.6 | K92 N96 I97 | K92-L94 PolarHBondContact O-N 3.18Å; L94-N96 PolarHBondContact O-N 3.11Å; L94-N96 VanDerWaalsContact O-N 3.08Å; L94-I97 HydrophobicContact CD2-CD1 3.75Å; L94-I97 PolarHBondContact O-N 3.22Å |
| 95 | E | 58.5 | Low | 56.5 | Low | 176 Ų | 176 | 139.6 Ų | 139.6 | 82% | 0.822 | 74% | 0.741 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -61.5 | -19.4 | -173.9 | -161.7 | 170.8 | -162.7 | 0 | 0 | 113.8 | | |
| 96 | N | 52.4 | Low | 57.4 | Low | 140 Ų | 140 | 137.3 Ų | 137.3 | 75% | 0.749 | 74% | 0.737 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -106.1 | 5.6 | -177.2 | -77.4 | -19.8 | 0 | 0 | 0 | 115.9 | L94 K98 | L94-N96 PolarHBondContact O-N 3.11Å; L94-N96 VanDerWaalsContact O-N 3.08Å; N96-K98 PolarHBondContact O-N 3.35Å |
| 97 | I | 57.5 | Low | 58.6 | Low | 124 Ų | 124 | 136.9 Ų | 136.9 | 64% | 0.636 | 73% | 0.734 | S | S | * | * | | | trans | -80.7 | 77.6 | 169.5 | -48 | -177.5 | 0 | 0 | 0 | 108.2 | L94 V99 | L94-I97 HydrophobicContact CD2-CD1 3.75Å; L94-I97 PolarHBondContact O-N 3.22Å; I97-V99 VanDerWaalsContact C-N 3.26Å; I97-V99 HydrophobicContact CG2-CG2 4.14Å; I97-V99 PolarHBondContact O-N 2.88Å |
| 98 | K | 58.2 | Low | 59.5 | Low | 182 Ų | 182 | 142.3 Ų | 142.3 | 79% | 0.791 | 74% | 0.742 | S | S | * | * | | | trans | -66.7 | 87.3 | 170.1 | -170.3 | 172.8 | -173.3 | 176.7 | 0 | 108 | N96 Q100 | N96-K98 PolarHBondContact O-N 3.35Å; K98-Q100 PolarHBondContact O-N 3.48Å |
| 99 | V | 65.8 | Low | 60.4 | Low | 121 Ų | 121 | 142 Ų | 142 | 73% | 0.733 | 74% | 0.738 | S | S | * | * | | | trans | -65.4 | 101 | 169.8 | -175.6 | 0 | 0 | 0 | 0 | 106.6 | I97 S101 | I97-V99 VanDerWaalsContact C-N 3.26Å; I97-V99 HydrophobicContact CG2-CG2 4.14Å; I97-V99 PolarHBondContact O-N 2.88Å; V99-S101 PolarHBondContact O-N 3.47Å |
| 100 | Q | 62.3 | Low | 61.3 | Low | 130 Ų | 130 | 144.8 Ų | 144.8 | 61% | 0.607 | 75% | 0.745 | S | S | * | * | | | trans | -65.6 | 100.7 | 169.6 | -72 | -176.6 | 1.1 | 0 | 0 | 107.5 | K98 H102 | K98-Q100 PolarHBondContact O-N 3.48Å; Q100-H102 PolarHBondContact O-CD2 2.91Å; Q100-H102 PolarHBondContact O-N 3.21Å; Q100-H102 VanDerWaalsContact O-N 3.11Å; Q100-H102 PolarHBondContact OE1-CE1 3.2Å; Q100-H102 VanDerWaalsContact OE1-CE1 3.26Å; Q100-H102 PolarHBondContact OE1-NE2 3.29Å |
| 101 | S | 66.4 | Low | 62.3 | Low | 104 Ų | 104 | 144.5 Ų | 144.5 | 73% | 0.727 | 74% | 0.744 | S | S | * | * | | | trans | -72.8 | 98.6 | 168.7 | 49 | 0 | 0 | 0 | 0 | 108.5 | V99 L103 | V99-S101 PolarHBondContact O-N 3.47Å; S101-L103 PolarHBondContact O-N 3.27Å |
| 102 | H | 62.9 | Low | 63.5 | Low | 151 Ų | 151 | 141 Ų | 141 | 70% | 0.699 | 74% | 0.735 | S | S | * | * | | | trans | -76.3 | 3.9 | 177.5 | -70.1 | -69.5 | 0 | 0 | 0 | 114.2 | Q100 K104 | Q100-H102 PolarHBondContact O-CD2 2.91Å; Q100-H102 PolarHBondContact O-N 3.21Å; Q100-H102 VanDerWaalsContact O-N 3.11Å; Q100-H102 PolarHBondContact OE1-CE1 3.2Å; Q100-H102 VanDerWaalsContact OE1-CE1 3.26Å; Q100-H102 PolarHBondContact OE1-NE2 3.29Å; H102-K104 PolarHBondContact O-N 3.4Å |
| 103 | L | 67.9 | Low | 64.5 | Low | 160 Ų | 160 | 139 Ų | 139 | 84% | 0.838 | 73% | 0.731 | S | S | * | * | | | trans | -81.3 | 104 | 173.3 | -60.9 | 179.6 | 0 | 0 | 0 | 108.3 | S101 | S101-L103 PolarHBondContact O-N 3.27Š|
| 104 | K | 68.9 | Low | 65.6 | Low | 193 Ų | 193 | 143 Ų | 143 | 84% | 0.839 | 74% | 0.741 | S | S | * | * | | | trans | -49.6 | 132.2 | 167.4 | -69.8 | -128.9 | 177.5 | -177.8 | 0 | 107.9 | H102 S106 | H102-K104 PolarHBondContact O-N 3.4Å; K104-S106 PolarHBondContact O-N 2.99Å |
| 105 | P | 64.2 | Low | 66.3 | Low | 124 Ų | 124 | 144.2 Ų | 144.2 | 81% | 0.805 | 74% | 0.74 | S | S | * | * | | | trans | -57.5 | 116.8 | 175.6 | 22.3 | -30.2 | 0 | 0 | 0 | 107.5 | S107 | P105-S107 PolarHBondContact O-N 3.01Š|
| 106 | S | 65.1 | Low | 67 | Low | 98 Ų | 98 | 141.6 Ų | 141.6 | 69% | 0.685 | 73% | 0.732 | S | S | * | * | | | trans | -56 | 115.4 | 166.3 | 177.7 | 0 | 0 | 0 | 0 | 105.6 | K104 Y108 | K104-S106 PolarHBondContact O-N 2.99Å; S106-Y108 PolarHBondContact O-N 3.23Å |
| 107 | S | 65.8 | Low | 68 | Low | 96 Ų | 96 | 142.5 Ų | 142.5 | 67% | 0.671 | 74% | 0.737 | S | S | * | * | | | trans | -55.6 | 112.6 | 167.4 | 51.3 | 0 | 0 | 0 | 0 | 105.7 | P105 M109 | P105-S107 PolarHBondContact O-N 3.01Å; S107-M109 PolarHBondContact O-N 2.98Å |
| 108 | Y | 66.7 | Low | 68.9 | Low | 224 Ų | 224 | 141.3 Ų | 141.3 | 88% | 0.878 | 74% | 0.739 | S | S | * | * | | | trans | -65.4 | 100.7 | 165.9 | -98.8 | -89.3 | 0 | 0 | 0 | 105 | S106 N110 | S106-Y108 PolarHBondContact O-N 3.23Å; Y108-N110 PolarHBondContact O-N 3.1Å; Y108-N110 VanDerWaalsContact O-N 3.15Å |
| 109 | M | 71.4 | Confident | 69.9 | Low | 147 Ų | 147 | 140 Ų | 140 | 72% | 0.724 | 74% | 0.74 | S | S | * | * | | | trans | -52.8 | 122.6 | 167.9 | -73.7 | -162.3 | -67.7 | 0 | 0 | 106.7 | S107 I111 | S107-M109 PolarHBondContact O-N 2.98Å; M109-I111 HydrophobicContact CB-CG1 4.14Å; M109-I111 PolarHBondContact O-N 3.01Å |
| 110 | N | 67.8 | Low | 70.5 | Confident | 153 Ų | 153 | 137.9 Ų | 137.9 | 82% | 0.818 | 73% | 0.729 | S | S | * | * | | | trans | -72.2 | 84.5 | 176.5 | -160.2 | -0.7 | 0 | 0 | 0 | 107.4 | Y108 T112 | Y108-N110 PolarHBondContact O-N 3.1Å; Y108-N110 VanDerWaalsContact O-N 3.15Å; N110-T112 PolarHBondContact O-N 2.85Å; N110-T112 VanDerWaalsContact O-N 3.16Å |
| 111 | I | 72.1 | Confident | 71.2 | Confident | 126 Ų | 126 | 137.6 Ų | 137.6 | 65% | 0.646 | 74% | 0.738 | S | S | * | * | | | trans | -82.9 | 92.4 | 177.9 | -54.2 | 173 | 0 | 0 | 0 | 107 | M109 I113 | M109-I111 HydrophobicContact CB-CG1 4.14Å; M109-I111 PolarHBondContact O-N 3.01Å; I111-I113 HydrophobicContact CG2-CG1 4.33Å; I111-I113 PolarHBondContact O-N 3.16Å |
| 112 | T | 76.6 | Confident | 71.9 | Confident | 110 Ų | 110 | 137.7 Ų | 137.7 | 68% | 0.675 | 74% | 0.739 | S | S | * | * | | | trans | -67.8 | 101.2 | 164.7 | -55.8 | 0 | 0 | 0 | 0 | 107.9 | N110 Q114 | N110-T112 PolarHBondContact O-N 2.85Å; N110-T112 VanDerWaalsContact O-N 3.16Å; T112-Q114 PolarHBondContact O-N 2.86Å |
| 113 | I | 73.9 | Confident | 72.5 | Confident | 135 Ų | 135 | 136.2 Ų | 136.2 | 69% | 0.692 | 74% | 0.743 | S | S | * | * | | | trans | -68.4 | 101.8 | 171.2 | -58.3 | 172.3 | 0 | 0 | 0 | 107.1 | I111 K115 | I111-I113 HydrophobicContact CG2-CG1 4.33Å; I111-I113 PolarHBondContact O-N 3.16Å; I113-K115 PolarHBondContact O-N 3.05Å; I113-K115 VanDerWaalsContact O-N 3.1Å |
| 114 | Q | 76.4 | Confident | 73 | Confident | 164 Ų | 164 | 138.2 Ų | 138.2 | 77% | 0.766 | 75% | 0.745 | S | S | * | * | | | trans | -65.7 | 109.5 | 168.9 | -66.6 | -174.2 | 3.4 | 0 | 0 | 107.5 | T112 N116 | T112-Q114 PolarHBondContact O-N 2.86Å; Q114-N116 PolarHBondContact O-N 3.15Å; Q114-N116 PolarHBondContact O-OD1 2.95Å |
| 115 | K | 71.4 | Confident | 73.4 | Confident | 171 Ų | 171 | 137.2 Ų | 137.2 | 74% | 0.743 | 75% | 0.748 | S | S | * | * | | | trans | -76.8 | 104.4 | 171.5 | -68.8 | -171.8 | 179.7 | -176.9 | 0 | 107.9 | I113 N117 | I113-K115 PolarHBondContact O-N 3.05Å; I113-K115 VanDerWaalsContact O-N 3.1Å; K115-N117 PolarHBondContact O-N 3.25Å |
| 116 | N | 74.4 | Confident | 73.8 | Confident | 120 Ų | 120 | 139.2 Ų | 139.2 | 64% | 0.642 | 75% | 0.751 | S | S | * | * | | | trans | -67.7 | 100 | 168.6 | -52 | 2.4 | 0 | 0 | 0 | 106.3 | Q114 S118 | Q114-N116 PolarHBondContact O-N 3.15Å; Q114-N116 PolarHBondContact O-OD1 2.95Å; N116-S118 PolarHBondContact O-N 2.99Å |
| 117 | N | 71.7 | Confident | 74 | Confident | 159 Ų | 159 | 143.5 Ų | 143.5 | 85% | 0.85 | 76% | 0.76 | S | S | * | * | | | trans | -70.6 | 9.5 | -175.6 | -75 | -28.1 | 0 | 0 | 0 | 114.4 | K115 | K115-N117 PolarHBondContact O-N 3.25Š|
| 118 | S | 77.6 | Confident | 74.2 | Confident | 99 Ų | 99 | 147.8 Ų | 147.8 | 69% | 0.692 | 77% | 0.767 | S | S | * | * | S | Bend | trans | -136.5 | 129.6 | 179.6 | -171.5 | 0 | 0 | 0 | 0 | 110 | N116 | N116-S118 PolarHBondContact O-N 2.99Š|
| 119 | L | 78.3 | Confident | 74.1 | Confident | 154 Ų | 154 | 142.6 Ų | 142.6 | 81% | 0.806 | 76% | 0.761 | S | S | * | * | P | Polyproline II helix | trans | -58.9 | 149.3 | 163 | -62.9 | 170.1 | 0 | 0 | 0 | 108.9 | | |
| 120 | P | 78.4 | Confident | 73.8 | Confident | 77 Ų | 77 | 141.7 Ų | 141.7 | 50% | 0.5 | 76% | 0.763 | S | S | . | * | P | Polyproline II helix | trans | -58.1 | 144.9 | 172.4 | 24.6 | -32.8 | 0 | 0 | 0 | 110.3 | | |
| 121 | P | 78 | Confident | 73.8 | Confident | 124 Ų | 124 | 140 Ų | 140 | 81% | 0.805 | 76% | 0.758 | S | S | * | * | P | Polyproline II helix | trans | -62.2 | 139 | 178 | 24.5 | -32 | 0 | 0 | 0 | 110.8 | | |
| 122 | S | 80.1 | Confident | 73.5 | Confident | 107 Ų | 107 | 143.3 Ų | 143.3 | 75% | 0.748 | 77% | 0.768 | S | S | * | * | P | Polyproline II helix | trans | -54.8 | 138.6 | 177.8 | -53.3 | 0 | 0 | 0 | 0 | 111.2 | K124 | S122-K124 PolarHBondContact O-N 3.2Š|
| 123 | P | 76 | Confident | 72.5 | Confident | 120 Ų | 120 | 146.1 Ų | 146.1 | 78% | 0.779 | 77% | 0.773 | S | S | * | * | P | Polyproline II helix | trans | -56.4 | 128.2 | 177.7 | 20.2 | -29.9 | 0 | 0 | 0 | 109.9 | L125 | P123-L125 PolarHBondContact O-N 3.11Å; P123-L125 VanDerWaalsContact O-N 3.11Å |
| 124 | K | 78.2 | Confident | 71.5 | Confident | 202 Ų | 202 | 142.3 Ų | 142.3 | 88% | 0.878 | 77% | 0.768 | S | S | * | * | P | Polyproline II helix | trans | -57.5 | 119 | 173.8 | -73 | 178 | -179.1 | 172.8 | 0 | 107.5 | S122 L126 | S122-K124 PolarHBondContact O-N 3.2Å; K124-L126 PolarHBondContact O-N 2.97Å |
| 125 | L | 76.5 | Confident | 70.6 | Confident | 171 Ų | 171 | 139.3 Ų | 139.3 | 90% | 0.895 | 77% | 0.771 | S | S | * | * | | | trans | -53.6 | 113.2 | 167.1 | -67.6 | 173.7 | 0 | 0 | 0 | 106.5 | P123 Q127 | P123-L125 PolarHBondContact O-N 3.11Å; P123-L125 VanDerWaalsContact O-N 3.11Å; L125-Q127 PolarHBondContact O-N 3.03Å |
| 126 | L | 72.9 | Confident | 70 | Confident | 166 Ų | 166 | 138.9 Ų | 138.9 | 87% | 0.869 | 78% | 0.777 | S | S | * | * | | | trans | -49.9 | 119.3 | 170.2 | -69.3 | 169.6 | 0 | 0 | 0 | 105.9 | K124 K128 | K124-L126 PolarHBondContact O-N 2.97Å; L126-K128 PolarHBondContact O-N 2.94Å |
| 127 | Q | 68.8 | Low | 68.9 | Low | 188 Ų | 188 | 137.3 Ų | 137.3 | 88% | 0.879 | 78% | 0.775 | S | S | * | * | | | trans | -50.2 | 113.6 | 173.4 | -86.7 | -178.5 | 13.4 | 0 | 0 | 106.1 | L125 P129 | L125-Q127 PolarHBondContact O-N 3.03Å; Q127-P129 VanDerWaalsContact O-N 3.16Å |
| 128 | K | 71.6 | Confident | 68.5 | Low | 186 Ų | 186 | 134.6 Ų | 134.6 | 81% | 0.809 | 77% | 0.769 | S | S | * | * | | | trans | -48.6 | 127 | 170 | -122.2 | 172.7 | -179.2 | 174.9 | 0 | 105.5 | L126 T130 | L126-K128 PolarHBondContact O-N 2.94Å; K128-T130 PolarHBondContact O-N 3.27Å |
| 129 | P | 64.9 | Low | 67.3 | Low | 116 Ų | 116 | 135.9 Ų | 135.9 | 75% | 0.753 | 78% | 0.775 | S | S | * | * | | | trans | -56.7 | 110.2 | 175.8 | 19.9 | -29.1 | 0 | 0 | 0 | 107.2 | Q127 V131 | Q127-P129 VanDerWaalsContact O-N 3.16Å; P129-V131 PolarHBondContact O-N 3.26Å |
| 130 | T | 63.2 | Low | 66.2 | Low | 127 Ų | 127 | 139.3 Ų | 139.3 | 78% | 0.779 | 78% | 0.777 | S | S | * | * | | | trans | -66.6 | 95.8 | 170.7 | -52.9 | 0 | 0 | 0 | 0 | 105.4 | K128 K132 | K128-T130 PolarHBondContact O-N 3.27Å; T130-K132 PolarHBondContact O-N 3.23Å |
| 131 | V | 68.2 | Low | 65.2 | Low | 118 Ų | 118 | 140.2 Ų | 140.2 | 72% | 0.715 | 79% | 0.785 | S | S | * | * | | | trans | -57.3 | 112.6 | 165.9 | 178 | 0 | 0 | 0 | 0 | 105.1 | P129 Q133 | P129-V131 PolarHBondContact O-N 3.26Å; V131-Q133 VanDerWaalsContact C-N 3.34Å; V131-Q133 PolarHBondContact O-N 3.19Å |
| 132 | K | 65.4 | Low | 64.4 | Low | 196 Ų | 196 | 140 Ų | 140 | 85% | 0.852 | 78% | 0.784 | S | S | * | * | | | trans | -59.6 | 106.6 | 167.7 | -66.4 | -144.8 | 178.4 | -171.2 | 0 | 105.4 | T130 G134 | T130-K132 PolarHBondContact O-N 3.23Å; K132-G134 PolarHBondContact O-N 3.49Å |
| 133 | Q | 55.9 | Low | 63.5 | Low | 168 Ų | 168 | 140.9 Ų | 140.9 | 79% | 0.785 | 78% | 0.784 | S | S | * | * | | | trans | -56.3 | 111.8 | 172.6 | -76.6 | -179.6 | -16.4 | 0 | 0 | 106.2 | V131 A135 | V131-Q133 VanDerWaalsContact C-N 3.34Å; V131-Q133 PolarHBondContact O-N 3.19Å; Q133-A135 PolarHBondContact O-N 2.94Å |
| 134 | G | 54.4 | Low | 62.6 | Low | 56 Ų | 56 | 142.5 Ų | 142.5 | 58% | 0.577 | 78% | 0.784 | S | S | * | * | | | trans | -56.2 | 130.9 | 169 | 0 | 0 | 0 | 0 | 0 | 107.3 | K132 N136 | K132-G134 PolarHBondContact O-N 3.49Å; G134-N136 PolarHBondContact O-N 3.01Å |
| 135 | A | 56 | Low | 61.8 | Low | 101 Ų | 101 | 139.4 Ų | 139.4 | 84% | 0.835 | 78% | 0.782 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -61.8 | 10.1 | -168.9 | 0 | 0 | 0 | 0 | 0 | 115.8 | Q133 | Q133-A135 PolarHBondContact O-N 2.94Š|
| 136 | N | 58.9 | Low | 60.9 | Low | 161 Ų | 161 | 132.5 Ų | 132.5 | 86% | 0.861 | 75% | 0.752 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -119 | 6.4 | -169.6 | -66.1 | -0.1 | 0 | 0 | 0 | 114.2 | G134 | G134-N136 PolarHBondContact O-N 3.01Š|
| 137 | S | 52.1 | Low | 60.2 | Low | 87 Ų | 87 | 129.4 Ų | 129.4 | 61% | 0.608 | 74% | 0.742 | S | S | * | * | S | Bend | trans | -87.7 | 112.7 | 169.8 | 62.7 | 0 | 0 | 0 | 0 | 110.2 | | |
| 138 | S | 62.8 | Low | 59.8 | Low | 102 Ų | 102 | 125.2 Ų | 125.2 | 71% | 0.713 | 73% | 0.726 | S | S | * | * | | | trans | -39.8 | 136.7 | 166.7 | 176.3 | 0 | 0 | 0 | 0 | 111.3 | R140 | S138-R140 PolarHBondContact O-N 3.24Š|
| 139 | P | 52.5 | Low | 59.2 | Low | 126 Ų | 126 | 124 Ų | 124 | 82% | 0.818 | 72% | 0.72 | S | S | * | * | | | trans | -70.2 | 78.9 | -176.9 | 29.9 | -34.8 | 0 | 0 | 0 | 110.1 | S141 | P139-S141 PolarHBondContact O-N 3.23Š|
| 140 | R | 54.6 | Low | 59 | Low | 227 Ų | 227 | 129.1 Ų | 129.1 | 86% | 0.857 | 73% | 0.725 | S | S | * | * | | | trans | -75.4 | 106.9 | 159.1 | -163.4 | 166.7 | -173.8 | 136.9 | -0.8 | 105.3 | S138 | S138-R140 PolarHBondContact O-N 3.24Š|
| 141 | S | 57.7 | Low | 58.8 | Low | 95 Ų | 95 | 129.8 Ų | 129.8 | 66% | 0.664 | 72% | 0.719 | S | S | * | * | | | trans | -43.4 | 130 | 176.5 | 46.1 | 0 | 0 | 0 | 0 | 109.7 | P139 T143 | P139-S141 PolarHBondContact O-N 3.23Å; S141-T143 PolarHBondContact O-N 2.83Å |
| 142 | P | 61.6 | Low | 58.2 | Low | 121 Ų | 121 | 127.7 Ų | 127.7 | 79% | 0.786 | 71% | 0.706 | S | S | * | * | | | trans | -60.9 | 114.1 | 179.2 | 22.1 | -29.8 | 0 | 0 | 0 | 107.8 | M144 | P142-M144 PolarHBondContact O-N 3.16Š|
| 143 | T | 60.4 | Low | 57.8 | Low | 124 Ų | 124 | 121.9 Ų | 121.9 | 76% | 0.761 | 69% | 0.691 | S | S | * | * | | | trans | -61.1 | 97 | 166.1 | -45.3 | 0 | 0 | 0 | 0 | 105.9 | S141 T145 | S141-T143 PolarHBondContact O-N 2.83Å; T143-T145 VanDerWaalsContact C-N 3.26Å; T143-T145 PolarHBondContact O-N 2.87Å |
| 144 | M | 58.8 | Low | 57.9 | Low | 155 Ų | 155 | 120.5 Ų | 120.5 | 76% | 0.764 | 69% | 0.689 | S | S | * | * | | | trans | -69.9 | 91.2 | 177.4 | -149.4 | -167.3 | 80.8 | 0 | 0 | 106.2 | P142 G146 | P142-M144 PolarHBondContact O-N 3.16Å; M144-G146 PolarHBondContact O-N 2.88Å |
| 145 | T | 60.7 | Low | 58.1 | Low | 137 Ų | 137 | 124.6 Ų | 124.6 | 84% | 0.84 | 70% | 0.697 | S | S | * | * | | | trans | -69.5 | 64 | 160.5 | 49.4 | 0 | 0 | 0 | 0 | 107.5 | T143 | T143-T145 VanDerWaalsContact C-N 3.26Å; T143-T145 PolarHBondContact O-N 2.87Å |
| 146 | G | 58.4 | Low | 58.3 | Low | 26 Ų | 26 | 124.7 Ų | 124.7 | 27% | 0.268 | 69% | 0.687 | S | S | . | * | | | trans | -70.1 | 157.4 | 165.4 | 0 | 0 | 0 | 0 | 0 | 109.2 | M144 N148 | M144-G146 PolarHBondContact O-N 2.88Å; G146-N148 PolarHBondContact O-N 3.14Å |
| 147 | P | 57.2 | Low | 58.1 | Low | 101 Ų | 101 | 123.8 Ų | 123.8 | 66% | 0.656 | 68% | 0.682 | S | S | * | * | | | trans | -53 | 127.7 | 173.6 | 23.1 | -31.8 | 0 | 0 | 0 | 108.7 | F149 | P147-F149 PolarHBondContact O-N 2.88Š|
| 148 | N | 60.8 | Low | 58.2 | Low | 100 Ų | 100 | 125 Ų | 125 | 54% | 0.535 | 69% | 0.686 | S | S | . | * | | | trans | -63.1 | 96.7 | -171.9 | -148 | -22.2 | 0 | 0 | 0 | 108.5 | G146 R150 Q151 | G146-N148 PolarHBondContact O-N 3.14Å; N148-R150 PolarHBondContact O-N 3.4Å; N148-Q151 HydrophobicContact CB-CG 4.48Å; N148-Q151 PolarHBondContact O-N 3.41Å |
| 149 | F | 59.5 | Low | 58.1 | Low | 160 Ų | 160 | 129 Ų | 129 | 70% | 0.702 | 69% | 0.691 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -57.2 | -14.9 | -177.6 | -69.7 | -78.6 | 0 | 0 | 0 | 113.2 | P147 Q151 T152 | P147-F149 PolarHBondContact O-N 2.88Å; F149-Q151 VanDerWaalsContact C-N 3.28Å; F149-Q151 PolarHBondContact O-N 3.32Å; F149-T152 PolarHBondContact O-OG1 2.8Å |
| 150 | R | 59.6 | Low | 58.5 | Low | 223 Ų | 223 | 127.5 Ų | 127.5 | 84% | 0.842 | 68% | 0.679 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -72.8 | -16.6 | 173.4 | -68.9 | -174.8 | 176.3 | -108.7 | 1.2 | 113.8 | N148 | N148-R150 PolarHBondContact O-N 3.4Š|
| 151 | Q | 59.2 | Low | 58.9 | Low | 141 Ų | 141 | 126.1 Ų | 126.1 | 66% | 0.659 | 68% | 0.68 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -97.9 | -13.5 | -179.7 | -69.3 | -175.6 | -42.3 | 0 | 0 | 113.9 | N148 F149 S153 | N148-Q151 HydrophobicContact CB-CG 4.48Å; N148-Q151 PolarHBondContact O-N 3.41Å; F149-Q151 VanDerWaalsContact C-N 3.28Å; F149-Q151 PolarHBondContact O-N 3.32Å; Q151-S153 VanDerWaalsContact C-N 3.34Å; Q151-S153 PolarHBondContact O-N 3.08Å |
| 152 | T | 56.4 | Low | 59.2 | Low | 74 Ų | 74 | 131.2 Ų | 131.2 | 45% | 0.454 | 69% | 0.686 | S | S | . | * | G | 310 helix | trans | -82.9 | -6.6 | -175.5 | 55.1 | 0 | 0 | 0 | 0 | 114.2 | F149 N154 L155 | F149-T152 PolarHBondContact O-OG1 2.8Å; T152-N154 PolarHBondContact O-N 3.24Å; T152-L155 PolarHBondContact O-N 3.25Å |
| 153 | S | 56.6 | Low | 59.1 | Low | 75 Ų | 75 | 129.8 Ų | 129.8 | 52% | 0.524 | 68% | 0.684 | S | S | . | * | G | 310 helix | trans | -65.9 | -18.1 | 178.8 | 54.9 | 0 | 0 | 0 | 0 | 114.1 | Q151 | Q151-S153 VanDerWaalsContact C-N 3.34Å; Q151-S153 PolarHBondContact O-N 3.08Å |
| 154 | N | 57.6 | Low | 58.8 | Low | 139 Ų | 139 | 129 Ų | 129 | 74% | 0.743 | 68% | 0.683 | S | S | * | * | G | 310 helix | trans | -83.3 | -16 | -178.1 | -69.2 | -23.6 | 0 | 0 | 0 | 114 | T152 | T152-N154 PolarHBondContact O-N 3.24Š|
| 155 | L | 59.3 | Low | 58.6 | Low | 141 Ų | 141 | 125.9 Ų | 125.9 | 74% | 0.738 | 68% | 0.677 | S | S | * | * | S | Bend | trans | -93.5 | -12.6 | -175.4 | -85.2 | 143.2 | 0 | 0 | 0 | 114.3 | T152 N157 | T152-L155 PolarHBondContact O-N 3.25Å; L155-N157 PolarHBondContact O-N 3.18Å |
| 156 | T | 59.3 | Low | 58.5 | Low | 104 Ų | 104 | 127.1 Ų | 127.1 | 64% | 0.638 | 68% | 0.678 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -75 | -10.6 | -176.1 | -42.5 | 0 | 0 | 0 | 0 | 113.6 | | |
| 157 | N | 55.7 | Low | 58.5 | Low | 141 Ų | 141 | 130.3 Ų | 130.3 | 75% | 0.754 | 70% | 0.697 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -110.7 | 15.3 | -168.7 | -73 | -37.8 | 0 | 0 | 0 | 116.2 | L155 | L155-N157 PolarHBondContact O-N 3.18Š|
| 158 | T | 54.1 | Low | 58.4 | Low | 112 Ų | 112 | 130 Ų | 130 | 69% | 0.687 | 70% | 0.702 | S | S | * | * | | | trans | -101 | 61 | 166.2 | 59.4 | 0 | 0 | 0 | 0 | 110.7 | T160 | T158-T160 VanDerWaalsContact C-N 3.28Å; T158-T160 PolarHBondContact O-N 2.68Å |
| 159 | K | 59.4 | Low | 57.9 | Low | 187 Ų | 187 | 133.1 Ų | 133.1 | 81% | 0.813 | 72% | 0.719 | S | S | * | * | | | trans | -69.8 | 91.1 | 160.3 | -69.6 | -177.4 | -177.7 | -178.5 | 0 | 107.4 | K161 | K159-K161 PolarHBondContact O-N 2.89Š|
| 160 | T | 60.9 | Low | 57.4 | Low | 94 Ų | 94 | 129.4 Ų | 129.4 | 58% | 0.577 | 72% | 0.718 | S | S | * | * | | | trans | -60.9 | 108.6 | 167.4 | -51.2 | 0 | 0 | 0 | 0 | 107.5 | T158 Y162 | T158-T160 VanDerWaalsContact C-N 3.28Å; T158-T160 PolarHBondContact O-N 2.68Å; T160-Y162 VanDerWaalsContact C-N 3.31Å; T160-Y162 HydrophobicContact CG2-CD2 4Å; T160-Y162 HydrophobicContact CG2-CE1 4.22Å; T160-Y162 HydrophobicContact CG2-CE2 3.46Å; T160-Y162 VanDerWaalsContact CG2-CE2 3.46Å; T160-Y162 PolarHBondContact O-N 2.86Å |
| 161 | K | 63.5 | Low | 57.4 | Low | 199 Ų | 199 | 124.4 Ų | 124.4 | 87% | 0.865 | 72% | 0.717 | S | S | * | * | | | trans | -70.4 | 86.6 | 175 | -62.6 | -172.7 | -161.5 | -177.6 | 0 | 108.5 | K159 A163 | K159-K161 PolarHBondContact O-N 2.89Å; K161-A163 PolarHBondContact O-N 3.13Å |
| 162 | Y | 64.7 | Low | 57.4 | Low | 202 Ų | 202 | 122.7 Ų | 122.7 | 79% | 0.792 | 72% | 0.719 | S | S | * | * | | | trans | -75.6 | 107.3 | 157.3 | -65.4 | -72.2 | 0 | 0 | 0 | 106.6 | T160 S164 | T160-Y162 VanDerWaalsContact C-N 3.31Å; T160-Y162 HydrophobicContact CG2-CD2 4Å; T160-Y162 HydrophobicContact CG2-CE1 4.22Å; T160-Y162 HydrophobicContact CG2-CE2 3.46Å; T160-Y162 VanDerWaalsContact CG2-CE2 3.46Å; T160-Y162 PolarHBondContact O-N 2.86Å; Y162-S164 PolarHBondContact O-N 3.1Å |
| 163 | A | 59.1 | Low | 57.6 | Low | 91 Ų | 91 | 126.5 Ų | 126.5 | 75% | 0.752 | 74% | 0.736 | S | S | * | * | | | trans | -54.4 | 121.8 | 174.4 | 0 | 0 | 0 | 0 | 0 | 108.3 | K161 S165 | K161-A163 PolarHBondContact O-N 3.13Å; A163-S165 PolarHBondContact O-N 3.13Å |
| 164 | S | 54 | Low | 58.1 | Low | 107 Ų | 107 | 130 Ų | 130 | 75% | 0.748 | 75% | 0.748 | S | S | * | * | | | trans | -64.8 | 85.4 | 169.6 | 54.1 | 0 | 0 | 0 | 0 | 108.7 | Y162 N166 | Y162-S164 PolarHBondContact O-N 3.1Å; S164-N166 PolarHBondContact O-N 3.12Å; S164-N166 VanDerWaalsContact O-N 3.16Å |
| 165 | S | 55.2 | Low | 58.9 | Low | 90 Ų | 90 | 129 Ų | 129 | 63% | 0.629 | 75% | 0.747 | S | S | * | * | | | trans | -79 | 95 | 171.8 | 57.4 | 0 | 0 | 0 | 0 | 108.3 | A163 S167 | A163-S165 PolarHBondContact O-N 3.13Å; S165-S167 PolarHBondContact O-N 2.83Å |
| 166 | N | 59 | Low | 59.5 | Low | 162 Ų | 162 | 133.4 Ų | 133.4 | 87% | 0.866 | 75% | 0.753 | S | S | * | * | | | trans | -68.5 | 31.7 | 170.7 | -77.4 | 25.5 | 0 | 0 | 0 | 113 | S164 | S164-N166 PolarHBondContact O-N 3.12Å; S164-N166 VanDerWaalsContact O-N 3.16Å |
| 167 | S | 56.7 | Low | 60.4 | Low | 94 Ų | 94 | 136.2 Ų | 136.2 | 66% | 0.657 | 76% | 0.757 | S | S | * | * | | | trans | -104.3 | 8.3 | -169.6 | 62 | 0 | 0 | 0 | 0 | 115.4 | S165 N169 | S165-S167 PolarHBondContact O-N 2.83Å; S167-N169 VanDerWaalsContact C-N 3.33Å; S167-N169 PolarHBondContact O-N 2.73Å |
| 168 | A | 55 | Low | 61.3 | Low | 93 Ų | 93 | 133.5 Ų | 133.5 | 77% | 0.769 | 75% | 0.747 | S | S | * | * | S | Bend | trans | -77.2 | -11.6 | -177.4 | 0 | 0 | 0 | 0 | 0 | 114.9 | | |
| 169 | N | 50.1 | Low | 62.2 | Low | 166 Ų | 166 | 135 Ų | 135 | 89% | 0.888 | 75% | 0.75 | S | S | * | * | S | Bend | trans | -117.1 | 59.9 | -178 | -81.2 | -6.5 | 0 | 0 | 0 | 112.9 | S167 | S167-N169 VanDerWaalsContact C-N 3.33Å; S167-N169 PolarHBondContact O-N 2.73Å |
| 170 | A | 49.2 | Very low | 63 | Low | 83 Ų | 83 | 130.2 Ų | 130.2 | 69% | 0.686 | 74% | 0.74 | S | S | * | * | | | trans | -159.7 | 70.6 | 157.9 | 0 | 0 | 0 | 0 | 0 | 109.8 | P172 | A170-P172 VanDerWaalsContact O-N 3.15Š|
| 171 | S | 60.5 | Low | 63.4 | Low | 118 Ų | 118 | 133.5 Ų | 133.5 | 83% | 0.825 | 74% | 0.743 | S | S | * | * | | | trans | -52 | 124.5 | 155.1 | -72.5 | 0 | 0 | 0 | 0 | 106.8 | N173 | S171-N173 PolarHBondContact O-N 2.88Š|
| 172 | P | 59.4 | Low | 63.6 | Low | 105 Ų | 105 | 130.5 Ų | 130.5 | 68% | 0.682 | 74% | 0.735 | S | S | * | * | | | trans | -55.6 | 134.2 | -175.6 | 19.5 | -29.4 | 0 | 0 | 0 | 108.1 | A170 L174 | A170-P172 VanDerWaalsContact O-N 3.15Å; P172-L174 PolarHBondContact O-N 2.79Å |
| 173 | N | 60.7 | Low | 63.8 | Low | 153 Ų | 153 | 126.1 Ų | 126.1 | 82% | 0.818 | 74% | 0.735 | S | S | * | * | | | trans | -57.3 | 84.5 | -178 | -159.3 | -9.8 | 0 | 0 | 0 | 109.2 | S171 V175 | S171-N173 PolarHBondContact O-N 2.88Å; N173-V175 PolarHBondContact O-N 3.42Å |
| 174 | L | 67.7 | Low | 63.7 | Low | 148 Ų | 148 | 129.9 Ų | 129.9 | 78% | 0.775 | 73% | 0.734 | S | S | * | * | | | trans | -72.3 | 84.8 | 177.5 | -76.3 | 168.2 | 0 | 0 | 0 | 106.6 | P172 R176 | P172-L174 PolarHBondContact O-N 2.79Å; L174-R176 VanDerWaalsContact C-N 3.33Å; L174-R176 PolarHBondContact O-N 3.31Å |
| 175 | V | 73.6 | Confident | 63.8 | Low | 119 Ų | 119 | 129.7 Ų | 129.7 | 72% | 0.721 | 73% | 0.732 | S | S | * | * | | | trans | -60.8 | 101.5 | 166.8 | -178.9 | 0 | 0 | 0 | 0 | 106.6 | N173 K177 | N173-V175 PolarHBondContact O-N 3.42Å; V175-K177 PolarHBondContact O-N 3.39Å; V175-K177 VanDerWaalsContact O-N 3.12Å |
| 176 | R | 71.9 | Confident | 63.7 | Low | 233 Ų | 233 | 129.1 Ų | 129.1 | 88% | 0.879 | 73% | 0.729 | S | S | * | * | | | trans | -63.9 | 113.7 | 178.9 | -57.8 | -177.5 | -154.1 | -126.5 | 3.2 | 107.6 | L174 | L174-R176 VanDerWaalsContact C-N 3.33Å; L174-R176 PolarHBondContact O-N 3.31Å |
| 177 | K | 77.1 | Confident | 63.6 | Low | 164 Ų | 164 | 129.1 Ų | 129.1 | 71% | 0.713 | 73% | 0.728 | S | S | * | * | | | trans | -67.4 | 138.7 | 172.6 | -67.1 | -174 | -179.1 | -179.7 | 0 | 108.9 | V175 Y181 | V175-K177 PolarHBondContact O-N 3.39Å; V175-K177 VanDerWaalsContact O-N 3.12Å; K177-Y181 HydrophobicContact CB-CD2 4.24Å |
| 178 | P | 75.1 | Confident | 63.2 | Low | 83 Ų | 83 | 130.4 Ų | 130.4 | 54% | 0.539 | 73% | 0.727 | S | S | . | * | | | trans | -61.7 | 150.7 | 177.1 | 25.1 | -32.9 | 0 | 0 | 0 | 111.1 | S180 Y181 | P178-S180 PolarHBondContact O-N 2.98Å; P178-Y181 HydrophobicContact CG-CD2 4.23Å; P178-Y181 HydrophobicContact CG-CE2 4.07Å; P178-Y181 WeakPolarHBondContact O-CD2 3.44Å; P178-Y181 PolarHBondContact O-N 3.15Å |
| 179 | L | 73.7 | Confident | 62.6 | Low | 145 Ų | 145 | 135.3 Ų | 135.3 | 76% | 0.759 | 73% | 0.731 | S | S | * | * | G | 310 helix | trans | -62.4 | -12 | -175.1 | -65.9 | 172.2 | 0 | 0 | 0 | 114.1 | Y181 L182 | L179-Y181 PolarHBondContact O-N 3.41Å; L179-Y181 VanDerWaalsContact O-N 3.15Å; L179-L182 HydrophobicContact CB-CD1 4.35Å; L179-L182 HydrophobicContact CD2-CD1 3.69Å; L179-L182 WeakPolarHBondContact O-CB 3.48Å; L179-L182 PolarHBondContact O-N 3Å |
| 180 | S | 76.3 | Confident | 62.2 | Low | 85 Ų | 85 | 140.9 Ų | 140.9 | 59% | 0.594 | 75% | 0.747 | S | S | * | * | G | 310 helix | trans | -59.1 | -25.2 | 178.1 | 52.5 | 0 | 0 | 0 | 0 | 113.5 | P178 L182 S183 | P178-S180 PolarHBondContact O-N 2.98Å; S180-L182 VanDerWaalsContact C-N 3.25Å; S180-L182 PolarHBondContact O-N 3.37Å; S180-S183 PolarHBondContact O-N 3.4Å |
| 181 | Y | 69.7 | Low | 62.9 | Low | 164 Ų | 164 | 143.8 Ų | 143.8 | 64% | 0.643 | 75% | 0.75 | S | S | * | * | G | 310 helix | trans | -73.2 | -12.4 | 175 | -71.5 | -82.6 | 0 | 0 | 0 | 114.3 | K177 P178 L179 S183 | K177-Y181 HydrophobicContact CB-CD2 4.24Å; P178-Y181 HydrophobicContact CG-CD2 4.23Å; P178-Y181 HydrophobicContact CG-CE2 4.07Å; P178-Y181 WeakPolarHBondContact O-CD2 3.44Å; P178-Y181 PolarHBondContact O-N 3.15Å; L179-Y181 PolarHBondContact O-N 3.41Å; L179-Y181 VanDerWaalsContact O-N 3.15Å; Y181-S183 VanDerWaalsContact C-N 3.29Å |
| 182 | L | 66.4 | Low | 63 | Low | 135 Ų | 135 | 145.2 Ų | 145.2 | 71% | 0.707 | 75% | 0.746 | S | S | * | * | G | 310 helix | trans | -81.2 | -8 | 173.1 | -75.2 | 111.5 | 0 | 0 | 0 | 113 | L179 S180 K184 | L179-L182 HydrophobicContact CB-CD1 4.35Å; L179-L182 HydrophobicContact CD2-CD1 3.69Å; L179-L182 WeakPolarHBondContact O-CB 3.48Å; L179-L182 PolarHBondContact O-N 3Å; S180-L182 VanDerWaalsContact C-N 3.25Å; S180-L182 PolarHBondContact O-N 3.37Å; L182-K184 PolarHBondContact O-N 3.47Å |
| 183 | S | 68.7 | Low | 63.2 | Low | 111 Ų | 111 | 147.4 Ų | 147.4 | 78% | 0.776 | 75% | 0.75 | S | S | * | * | | | trans | -74.5 | 69.7 | 169.3 | -163.8 | 0 | 0 | 0 | 0 | 109.4 | S180 Y181 | S180-S183 PolarHBondContact O-N 3.4Å; Y181-S183 VanDerWaalsContact C-N 3.29Å |
| 184 | K | 57.7 | Low | 63.3 | Low | 170 Ų | 170 | 147.1 Ų | 147.1 | 74% | 0.739 | 75% | 0.746 | S | S | * | * | | | trans | -83.1 | 112.4 | 171.6 | -73.9 | -164.1 | 178.7 | -172.7 | 0 | 108.5 | L182 S186 | L182-K184 PolarHBondContact O-N 3.47Å; K184-S186 PolarHBondContact O-N 3.2Å |
| 185 | S | 56.3 | Low | 63.1 | Low | 102 Ų | 102 | 147 Ų | 147 | 71% | 0.713 | 74% | 0.744 | S | S | * | * | | | trans | 22.8 | 96.2 | 130.2 | 62.8 | 0 | 0 | 0 | 0 | 116.9 | | |
| 186 | S | 53.7 | Low | 62.4 | Low | 79 Ų | 79 | 148.9 Ų | 148.9 | 55% | 0.552 | 75% | 0.746 | S | S | * | * | | | trans | 177.1 | 112.3 | 141.7 | 48.8 | 0 | 0 | 0 | 0 | 103 | K184 | K184-S186 PolarHBondContact O-N 3.2Š|
| 187 | D | 55.6 | Low | 61.7 | Low | 161 Ų | 161 | 142.9 Ų | 142.9 | 86% | 0.861 | 74% | 0.736 | S | S | * | * | | | | -137.7 | 113.8 | 73.2 | -54.9 | -49.2 | 0 | 0 | 0 | 108.2 | | |
| 188 | I | 48.2 | Very low | 60.5 | Low | 122 Ų | 122 | 141.2 Ų | 141.2 | 63% | 0.626 | 74% | 0.738 | S | S | * | * | | | cis | 38.6 | 87.5 | 47.5 | -53.9 | 179.8 | 0 | 0 | 0 | 111.5 | | |
| 189 | K | 43.4 | Very low | 59.3 | Low | 196 Ų | 196 | 146.1 Ų | 146.1 | 85% | 0.852 | 75% | 0.754 | S | S | * | * | | | trans | 69.5 | 104.8 | 141.2 | -59.6 | 179.4 | -179.1 | -172.8 | 0 | 116.7 | | |
| 190 | K | 41.8 | Very low | 58 | Low | 283 Ų | 283 | 146.2 Ų | 146.2 | 100% | 1.23 | 75% | 0.754 | S | S | * | * | | | | -161.8 | 0 | 88.9 | -161.6 | 174 | -178 | -176.3 | 0 | 110.7 | | |