| 1 | M | 42.4 | Very low | 42.9 | Very low | 252 Ų | 252 | 142.9 Ų | 142.9 | 100% | 1.241 | 86% | 0.856 | S | S | * | * | | | | 0 | 144.1 | 0 | -66.4 | -178.1 | 179.1 | 0 | 0 | 107.7 | | |
| 2 | A | 36.5 | Very low | 42.3 | Very low | 109 Ų | 109 | 147.3 Ų | 147.3 | 90% | 0.901 | 86% | 0.855 | S | S | * | * | | | trans | -132 | 151.6 | 175.4 | 0 | 0 | 0 | 0 | 0 | 108.8 | | |
| 3 | A | 44.5 | Very low | 41.5 | Very low | 101 Ų | 101 | 140.8 Ų | 140.8 | 84% | 0.835 | 84% | 0.84 | S | S | * | * | | | trans | -120.9 | 154.7 | 175.7 | 0 | 0 | 0 | 0 | 0 | 109.5 | | |
| 4 | S | 49.3 | Very low | 40.9 | Very low | 121 Ų | 121 | 140.4 Ų | 140.4 | 85% | 0.846 | 84% | 0.838 | S | S | * | * | | | trans | -67.4 | 155.9 | -179 | -45.3 | 0 | 0 | 0 | 0 | 113 | | |
| 5 | S | 46.2 | Very low | 40.5 | Very low | 110 Ų | 110 | 142.7 Ų | 142.7 | 77% | 0.769 | 84% | 0.837 | S | S | * | * | | | | -159.3 | 143.7 | 117.4 | -146.2 | 0 | 0 | 0 | 0 | 114.2 | | |
| 6 | S | 47.7 | Very low | 39.8 | Very low | 81 Ų | 81 | 144.3 Ų | 144.3 | 57% | 0.566 | 83% | 0.833 | S | S | * | * | | | trans | 9.2 | 125.6 | 147.1 | 58.6 | 0 | 0 | 0 | 0 | 122.1 | | |
| 7 | E | 44.8 | Very low | 39.7 | Very low | 182 Ų | 182 | 141.5 Ų | 141.5 | 85% | 0.85 | 82% | 0.824 | S | S | * | * | | | | 58.7 | 139.1 | 117.2 | -59.1 | 173.3 | 110.6 | 0 | 0 | 123.1 | | |
| 8 | V | 45.8 | Very low | 40.2 | Very low | 140 Ų | 140 | 139.3 Ų | 139.3 | 85% | 0.848 | 82% | 0.816 | S | S | * | * | | | trans | 51 | 119.2 | 153 | 171.9 | 0 | 0 | 0 | 0 | 118.9 | | |
| 9 | S | 36.3 | Very low | 40.2 | Very low | 123 Ų | 123 | 141.8 Ų | 141.8 | 86% | 0.86 | 82% | 0.819 | S | S | * | * | | | trans | -149.1 | 139 | 152.8 | -168 | 0 | 0 | 0 | 0 | 112.1 | | |
| 10 | E | 43 | Very low | 40.1 | Very low | 182 Ų | 182 | 141.1 Ų | 141.1 | 85% | 0.85 | 82% | 0.816 | S | S | * | * | | | trans | -97.9 | 136.4 | -176 | 172.8 | -164.6 | 106.3 | 0 | 0 | 111.1 | | |
| 11 | M | 35 | Very low | 40.1 | Very low | 171 Ų | 171 | 140 Ų | 140 | 84% | 0.842 | 81% | 0.814 | S | S | * | * | | | trans | -171.3 | 159.4 | 151.7 | 68.6 | 167.6 | 175.9 | 0 | 0 | 109 | | |
| 12 | K | 36.3 | Very low | 39.5 | Very low | 195 Ų | 195 | 131.7 Ų | 131.7 | 85% | 0.848 | 79% | 0.793 | S | S | * | * | | | cis | -162.6 | 140.1 | 10.2 | -158.2 | 178.4 | 176.4 | -178.5 | 0 | 112.2 | | |
| 13 | G | 31.8 | Very low | 39.1 | Very low | 64 Ų | 64 | 136.7 Ų | 136.7 | 66% | 0.66 | 79% | 0.794 | S | S | * | * | | | trans | 81.2 | 142.2 | 160.2 | 0 | 0 | 0 | 0 | 0 | 116.5 | | |
| 14 | V | 33.3 | Very low | 38.5 | Very low | 135 Ų | 135 | 135 Ų | 135 | 82% | 0.818 | 79% | 0.787 | S | S | * | * | | | cis | 67.9 | 120.6 | 32.6 | -177.2 | 0 | 0 | 0 | 0 | 111.7 | | |
| 15 | E | 34.3 | Very low | 38.2 | Very low | 174 Ų | 174 | 136 Ų | 136 | 81% | 0.813 | 79% | 0.79 | S | S | * | * | | | cis | -139.6 | -179 | -5.3 | -123.5 | 174.4 | 125.5 | 0 | 0 | 107 | | |
| 16 | E | 29.8 | Very low | 37.4 | Very low | 168 Ų | 168 | 134.1 Ų | 134.1 | 79% | 0.785 | 79% | 0.789 | S | S | * | * | | | cis | -157.6 | 156.4 | 31.8 | -170.5 | -177.9 | 108.5 | 0 | 0 | 109.7 | | |
| 17 | S | 38.4 | Very low | 36.8 | Very low | 97 Ų | 97 | 139.2 Ų | 139.2 | 68% | 0.678 | 80% | 0.803 | S | S | * | * | | | trans | -142.3 | 149.5 | 162.2 | -173.1 | 0 | 0 | 0 | 0 | 108.7 | E19 | S17-E19 PolarHBondContact OG-N 3.47Š|
| 18 | P | 47.6 | Very low | 36.4 | Very low | 103 Ų | 103 | 136.3 Ų | 136.3 | 67% | 0.669 | 80% | 0.803 | S | S | * | * | | | | -145.6 | 120.3 | 109.8 | 31.6 | -14.1 | 0 | 0 | 0 | 115.4 | V20 | P18-V20 HydrophobicContact CB-CG2 4.02Š|
| 19 | E | 41.3 | Very low | 35.9 | Very low | 187 Ų | 187 | 139 Ų | 139 | 87% | 0.874 | 81% | 0.806 | S | S | * | * | | | trans | -82.4 | 130.1 | 144.9 | -78.7 | -167.7 | 91.5 | 0 | 0 | 109.9 | S17 | S17-E19 PolarHBondContact OG-N 3.47Š|
| 20 | V | 36.8 | Very low | 35.7 | Very low | 127 Ų | 127 | 137.5 Ų | 137.5 | 77% | 0.77 | 80% | 0.802 | S | S | * | * | | | trans | -154.2 | 151.4 | 168.9 | -110.1 | 0 | 0 | 0 | 0 | 109.9 | P18 | P18-V20 HydrophobicContact CB-CG2 4.02Š|
| 21 | P | 40.9 | Very low | 35.2 | Very low | 119 Ų | 119 | 137.8 Ų | 137.8 | 77% | 0.773 | 80% | 0.803 | S | S | * | * | | | | -141 | 145.2 | -101.4 | 38.1 | -19.6 | 0 | 0 | 0 | 118.1 | | |
| 22 | G | 29.6 | Very low | 35.1 | Very low | 77 Ų | 77 | 136.4 Ų | 136.4 | 79% | 0.794 | 80% | 0.804 | S | S | * | * | | | | 68.8 | -171.6 | 129.7 | 0 | 0 | 0 | 0 | 0 | 121.5 | | |
| 23 | K | 29.1 | Very low | 34.9 | Very low | 213 Ų | 213 | 130.2 Ų | 130.2 | 93% | 0.926 | 80% | 0.796 | S | S | * | * | | | trans | 76.1 | 111.7 | 168.2 | -143.4 | 171.1 | -176.6 | 177.4 | 0 | 117.3 | | |
| 24 | G | 31.8 | Very low | 35.4 | Very low | 67 Ų | 67 | 133.2 Ų | 133.2 | 69% | 0.691 | 80% | 0.803 | S | S | * | * | | | trans | -73.9 | -169.9 | 157.8 | 0 | 0 | 0 | 0 | 0 | 111.9 | | |
| 25 | P | 43.1 | Very low | 35.8 | Very low | 140 Ų | 140 | 132.6 Ų | 132.6 | 91% | 0.909 | 80% | 0.802 | S | S | * | * | | | cis | -141.9 | -163.6 | 37.5 | 43.4 | -25 | 0 | 0 | 0 | 114 | | |
| 26 | G | 29.4 | Very low | 35.8 | Very low | 72 Ų | 72 | 133.4 Ų | 133.4 | 74% | 0.742 | 81% | 0.806 | S | S | * | * | | | trans | 144.9 | 151 | 153.4 | 0 | 0 | 0 | 0 | 0 | 116.6 | | |
| 27 | H | 34.6 | Very low | 35.7 | Very low | 188 Ų | 188 | 131.7 Ų | 131.7 | 87% | 0.87 | 81% | 0.807 | S | S | * | * | | | trans | -118 | 174.8 | 169.9 | -76 | -97.7 | 0 | 0 | 0 | 109.9 | | |
| 28 | S | 37.1 | Very low | 35.4 | Very low | 120 Ų | 120 | 134.8 Ų | 134.8 | 84% | 0.839 | 82% | 0.815 | S | S | * | * | | | trans | 77.8 | 152.3 | -178.8 | -51.8 | 0 | 0 | 0 | 0 | 112.5 | | |
| 29 | E | 35 | Very low | 34.6 | Very low | 196 Ų | 196 | 134.8 Ų | 134.8 | 92% | 0.916 | 82% | 0.824 | S | S | * | * | | | cis | -118.8 | 179.6 | 26.1 | -63.7 | 173.5 | 103.1 | 0 | 0 | 115.2 | | |
| 30 | A | 31.3 | Very low | 33.9 | Very low | 93 Ų | 93 | 129.3 Ų | 129.3 | 77% | 0.769 | 82% | 0.818 | S | S | * | * | | | trans | -130.3 | 153 | -178.9 | 0 | 0 | 0 | 0 | 0 | 112 | | |
| 31 | E | 33.2 | Very low | 33.9 | Very low | 187 Ų | 187 | 129.8 Ų | 129.8 | 87% | 0.874 | 82% | 0.82 | S | S | * | * | | | trans | 52.6 | 116.7 | 149.1 | -164 | 176.3 | 130.9 | 0 | 0 | 120.6 | | |
| 32 | T | 31.6 | Very low | 34.1 | Very low | 143 Ų | 143 | 129.4 Ų | 129.4 | 88% | 0.877 | 82% | 0.818 | S | S | * | * | | | trans | -152.2 | 137 | 137 | -72.2 | 0 | 0 | 0 | 0 | 108.9 | | |
| 33 | G | 32.3 | Very low | 34.3 | Very low | 64 Ų | 64 | 132.9 Ų | 132.9 | 66% | 0.66 | 82% | 0.818 | S | S | * | * | | | trans | -80.7 | -158.1 | -177.8 | 0 | 0 | 0 | 0 | 0 | 114.8 | | |
| 34 | P | 42.5 | Very low | 34.8 | Very low | 127 Ų | 127 | 131.5 Ų | 131.5 | 83% | 0.825 | 82% | 0.815 | S | S | * | * | | | cis | -123.8 | 173.7 | 26.3 | 38.5 | -22.8 | 0 | 0 | 0 | 115.6 | | |
| 35 | P | 42.1 | Very low | 35.2 | Very low | 123 Ų | 123 | 133.9 Ų | 133.9 | 80% | 0.799 | 82% | 0.818 | S | S | * | * | | | trans | -91.8 | 166.4 | -168.7 | 36.1 | -37.3 | 0 | 0 | 0 | 116.5 | | |
| 36 | Q | 33.2 | Very low | 34.7 | Very low | 190 Ų | 190 | 136.7 Ų | 136.7 | 89% | 0.888 | 82% | 0.819 | S | S | * | * | | | trans | -64.5 | 151.5 | 173.7 | -65.7 | -83.9 | 20.4 | 0 | 0 | 113.3 | | |
| 37 | V | 29 | Very low | 35.1 | Very low | 133 Ų | 133 | 137.7 Ų | 137.7 | 81% | 0.806 | 82% | 0.82 | S | S | * | * | | | trans | -116.8 | 103.9 | 174.9 | 176.4 | 0 | 0 | 0 | 0 | 112.2 | | |
| 38 | L | 31.7 | Very low | 35.5 | Very low | 162 Ų | 162 | 135 Ų | 135 | 85% | 0.848 | 82% | 0.819 | S | S | * | * | | | trans | 44.5 | 110.7 | 136.1 | -166.4 | 74.1 | 0 | 0 | 0 | 121 | | |
| 39 | A | 30.8 | Very low | 35.8 | Very low | 103 Ų | 103 | 137.7 Ų | 137.7 | 85% | 0.851 | 82% | 0.819 | S | S | * | * | | | | 159.9 | 140.3 | 125.1 | 0 | 0 | 0 | 0 | 0 | 110.7 | | |
| 40 | G | 26.7 | Very low | 36 | Very low | 72 Ų | 72 | 134.1 Ų | 134.1 | 74% | 0.742 | 81% | 0.813 | S | S | * | * | | | cis | -172.6 | 153.9 | -6.5 | 0 | 0 | 0 | 0 | 0 | 111 | | |
| 41 | V | 37.7 | Very low | 35.9 | Very low | 136 Ų | 136 | 132.7 Ų | 132.7 | 82% | 0.824 | 81% | 0.807 | S | S | * | * | | | trans | -147 | 133 | -174 | 168.2 | 0 | 0 | 0 | 0 | 105.5 | | |
| 42 | P | 44.4 | Very low | 36.6 | Very low | 111 Ų | 111 | 129.2 Ų | 129.2 | 72% | 0.721 | 80% | 0.801 | S | S | * | * | | | | -153.3 | 161.3 | 79.7 | 41.1 | -20.5 | 0 | 0 | 0 | 120 | | |
| 43 | D | 34.2 | Very low | 36.7 | Very low | 150 Ų | 150 | 129.3 Ų | 129.3 | 80% | 0.802 | 80% | 0.796 | S | S | * | * | | | trans | 49 | 150.7 | 141.2 | -70.2 | -109.6 | 0 | 0 | 0 | 126 | | |
| 44 | Q | 38.8 | Very low | 36.7 | Very low | 184 Ų | 184 | 132 Ų | 132 | 86% | 0.86 | 80% | 0.8 | S | S | * | * | | | trans | -115.1 | 145.6 | 169.4 | -103.4 | -139.4 | 114.6 | 0 | 0 | 110.9 | | |
| 45 | P | 40 | Very low | 36.1 | Very low | 117 Ų | 117 | 132.4 Ų | 132.4 | 76% | 0.76 | 80% | 0.8 | S | S | * | * | | | trans | -107.5 | 164.8 | 167.3 | 38.4 | -30.9 | 0 | 0 | 0 | 114 | | |
| 46 | E | 33.9 | Very low | 35.6 | Very low | 199 Ų | 199 | 131 Ų | 131 | 93% | 0.93 | 80% | 0.799 | S | S | * | * | | | trans | -83.9 | 178.6 | 177.8 | -79.3 | -174.2 | 61.6 | 0 | 0 | 114.9 | | |
| 47 | A | 36.8 | Very low | 35.6 | Very low | 93 Ų | 93 | 126.1 Ų | 126.1 | 77% | 0.769 | 79% | 0.791 | S | S | * | * | | | trans | -83.8 | 174.2 | -163.1 | 0 | 0 | 0 | 0 | 0 | 116.8 | | |
| 48 | P | 43.2 | Very low | 35.6 | Very low | 131 Ų | 131 | 126.8 Ų | 126.8 | 85% | 0.851 | 79% | 0.789 | S | S | * | * | | | | -138.3 | 168.5 | 121.9 | 37.6 | -25.7 | 0 | 0 | 0 | 116.6 | | |
| 49 | Q | 42.5 | Very low | 35.9 | Very low | 178 Ų | 178 | 125.4 Ų | 125.4 | 83% | 0.832 | 79% | 0.787 | S | S | * | * | | | trans | -80 | 169.9 | 177.2 | -77.4 | -75.6 | -19.3 | 0 | 0 | 112.7 | | |
| 50 | P | 40.5 | Very low | 35.9 | Very low | 120 Ų | 120 | 127.3 Ų | 127.3 | 78% | 0.779 | 78% | 0.783 | S | S | * | * | | | cis | -145.2 | -170.9 | 37 | 42 | -19.3 | 0 | 0 | 0 | 118.7 | | |
| 51 | G | 29.7 | Very low | 36.2 | Very low | 63 Ų | 63 | 128.5 Ų | 128.5 | 65% | 0.649 | 78% | 0.78 | S | S | * | * | | | trans | -82.9 | -161.7 | 179.6 | 0 | 0 | 0 | 0 | 0 | 116.7 | | |
| 52 | P | 47.5 | Very low | 35.8 | Very low | 114 Ų | 114 | 125.2 Ų | 125.2 | 74% | 0.74 | 77% | 0.774 | S | S | * | * | | | | -149.8 | -173.9 | 53.8 | 44.8 | -25.3 | 0 | 0 | 0 | 118.6 | | |
| 53 | D | 33.3 | Very low | 35.8 | Very low | 146 Ų | 146 | 126.7 Ų | 126.7 | 78% | 0.781 | 78% | 0.783 | S | S | * | * | | | trans | 57.8 | 137.8 | 157 | -58.1 | -43.1 | 0 | 0 | 0 | 121.4 | | |
| 54 | T | 32 | Very low | 35.7 | Very low | 120 Ų | 120 | 128.8 Ų | 128.8 | 74% | 0.736 | 79% | 0.785 | S | S | * | * | | | | -172.3 | 134.4 | 64.9 | -61.8 | 0 | 0 | 0 | 0 | 113.7 | | |
| 55 | T | 29.3 | Very low | 35.5 | Very low | 135 Ų | 135 | 124.8 Ų | 124.8 | 83% | 0.828 | 78% | 0.784 | S | S | * | * | | | trans | 66.3 | 139.9 | 155.6 | -65.1 | 0 | 0 | 0 | 0 | 118.8 | | |
| 56 | A | 33.2 | Very low | 34.9 | Very low | 94 Ų | 94 | 122.5 Ų | 122.5 | 78% | 0.777 | 78% | 0.781 | S | S | * | * | | | cis | -140.2 | 173.5 | 16.6 | 0 | 0 | 0 | 0 | 0 | 114.9 | | |
| 57 | A | 33 | Very low | 34.9 | Very low | 87 Ų | 87 | 121.7 Ų | 121.7 | 72% | 0.719 | 78% | 0.783 | S | S | * | * | | | trans | -87.4 | -177.3 | 165.6 | 0 | 0 | 0 | 0 | 0 | 111.2 | | |
| 58 | L | 28.2 | Very low | 34.6 | Very low | 147 Ų | 147 | 121.6 Ų | 121.6 | 77% | 0.77 | 78% | 0.781 | S | S | * | * | | | cis | -173.7 | 143.3 | 37.5 | -175.8 | 74.7 | 0 | 0 | 0 | 111.6 | | |
| 59 | V | 38.6 | Very low | 35 | Very low | 134 Ų | 134 | 120.4 Ų | 120.4 | 81% | 0.812 | 77% | 0.774 | S | S | * | * | | | trans | 51.6 | 173.3 | 166.5 | -67.3 | 0 | 0 | 0 | 0 | 118.8 | | |
| 60 | D | 30.9 | Very low | 34.3 | Very low | 142 Ų | 142 | 120.1 Ų | 120.1 | 76% | 0.759 | 77% | 0.772 | S | S | * | * | | | | -160.5 | 178.8 | -57.6 | -157.5 | 42.8 | 0 | 0 | 0 | 105.3 | | |
| 61 | S | 32.2 | Very low | 33.7 | Very low | 98 Ų | 98 | 120.7 Ų | 120.7 | 69% | 0.685 | 77% | 0.774 | S | S | * | * | | | cis | -148.4 | 169.9 | 14 | -57.6 | 0 | 0 | 0 | 0 | 112 | | |
| 62 | G | 30.4 | Very low | 34.1 | Very low | 67 Ų | 67 | 122.7 Ų | 122.7 | 69% | 0.691 | 78% | 0.776 | S | S | * | * | | | trans | -93.6 | -159 | 163.5 | 0 | 0 | 0 | 0 | 0 | 113.3 | | |
| 63 | P | 43.5 | Very low | 33.3 | Very low | 142 Ų | 142 | 125.2 Ų | 125.2 | 92% | 0.922 | 78% | 0.778 | S | S | * | * | | | cis | -131.4 | -158.6 | 9.7 | 43.3 | -25.8 | 0 | 0 | 0 | 114.9 | | |
| 64 | K | 32.7 | Very low | 33 | Very low | 193 Ų | 193 | 124 Ų | 124 | 84% | 0.839 | 78% | 0.776 | S | S | * | * | | | trans | -128.4 | 143.3 | -150.8 | 150.4 | -173.7 | 173.5 | -176.9 | 0 | 112.8 | | |
| 65 | A | 33.4 | Very low | 33.6 | Very low | 100 Ų | 100 | 124 Ų | 124 | 83% | 0.826 | 78% | 0.778 | S | S | * | * | | | trans | 66.4 | 153.3 | 156.6 | 0 | 0 | 0 | 0 | 0 | 120.6 | | |
| 66 | G | 28.8 | Very low | 33.6 | Very low | 69 Ų | 69 | 122.3 Ų | 122.3 | 71% | 0.711 | 78% | 0.777 | S | S | * | * | | | trans | 146.5 | 81.9 | 143.6 | 0 | 0 | 0 | 0 | 0 | 119.4 | | |
| 67 | L | 32.5 | Very low | 33.4 | Very low | 183 Ų | 183 | 121.6 Ų | 121.6 | 96% | 0.958 | 78% | 0.779 | S | S | * | * | | | trans | 62.2 | 158.4 | 147.6 | -58.6 | 171.5 | 0 | 0 | 0 | 120.5 | | |
| 68 | A | 31.1 | Very low | 33.3 | Very low | 90 Ų | 90 | 122 Ų | 122 | 74% | 0.744 | 78% | 0.783 | S | S | * | * | | | trans | -99.1 | 178.6 | 166.5 | 0 | 0 | 0 | 0 | 0 | 108.7 | | |
| 69 | P | 50.8 | Low | 33.4 | Very low | 107 Ų | 107 | 120.6 Ų | 120.6 | 70% | 0.695 | 79% | 0.785 | S | S | * | * | | | cis | -142.2 | -137.4 | 26.4 | 41.4 | -17.6 | 0 | 0 | 0 | 115 | | |
| 70 | E | 27.8 | Very low | 33.2 | Very low | 171 Ų | 171 | 122.3 Ų | 122.3 | 80% | 0.799 | 78% | 0.784 | S | S | * | * | | | trans | 86.8 | 133.7 | 174.7 | -48 | -57.9 | 74.9 | 0 | 0 | 119.9 | | |
| 71 | T | 29.8 | Very low | 33.2 | Very low | 133 Ų | 133 | 120.4 Ų | 120.4 | 82% | 0.816 | 78% | 0.778 | S | S | * | * | | | trans | -97.9 | -172.5 | 167.4 | 46.8 | 0 | 0 | 0 | 0 | 109.3 | | |
| 72 | P | 37.3 | Very low | 33.4 | Very low | 105 Ų | 105 | 119.4 Ų | 119.4 | 68% | 0.682 | 78% | 0.775 | S | S | * | * | | | cis | -140.1 | -144.1 | 7.9 | 36 | -9.5 | 0 | 0 | 0 | 115.2 | | |
| 73 | E | 29.6 | Very low | 33.9 | Very low | 167 Ų | 167 | 124.5 Ų | 124.5 | 78% | 0.78 | 78% | 0.781 | S | S | * | * | | | trans | 90.9 | 156.9 | 164.5 | -52.5 | -49.9 | 88.9 | 0 | 0 | 122.5 | | |
| 74 | T | 28.1 | Very low | 33.4 | Very low | 121 Ų | 121 | 121.7 Ų | 121.7 | 74% | 0.742 | 77% | 0.77 | S | S | * | * | | | trans | -136.4 | 158.3 | -153.7 | -50.8 | 0 | 0 | 0 | 0 | 113.3 | | |
| 75 | P | 43.5 | Very low | 33.6 | Very low | 119 Ų | 119 | 118.2 Ų | 118.2 | 77% | 0.773 | 77% | 0.765 | S | S | * | * | | | | -139.8 | 141.2 | 120.5 | 35.5 | -21.9 | 0 | 0 | 0 | 112.5 | | |
| 76 | A | 29.4 | Very low | 33.4 | Very low | 99 Ų | 99 | 119.5 Ų | 119.5 | 82% | 0.818 | 76% | 0.758 | S | S | * | * | | | | 66.5 | 125.1 | 59 | 0 | 0 | 0 | 0 | 0 | 113.9 | | |
| 77 | G | 28.6 | Very low | 33.9 | Very low | 80 Ų | 80 | 123 Ų | 123 | 83% | 0.825 | 76% | 0.76 | S | S | * | * | | | cis | -139.6 | -141.6 | -4.7 | 0 | 0 | 0 | 0 | 0 | 110.9 | | |
| 78 | A | 32.4 | Very low | 33.8 | Very low | 96 Ų | 96 | 118.6 Ų | 118.6 | 79% | 0.793 | 75% | 0.745 | S | S | * | * | | | cis | -166.2 | -172.1 | -3.5 | 0 | 0 | 0 | 0 | 0 | 110.1 | | |
| 79 | S | 29.2 | Very low | 33.9 | Very low | 116 Ų | 116 | 121.9 Ų | 121.9 | 81% | 0.811 | 75% | 0.749 | S | S | * | * | | | trans | 65.5 | 108.2 | 178.2 | -66 | 0 | 0 | 0 | 0 | 116.5 | | |
| 80 | E | 35.1 | Very low | 33.4 | Very low | 170 Ų | 170 | 122.4 Ų | 122.4 | 79% | 0.794 | 76% | 0.755 | S | S | * | * | | | cis | 83.5 | 138.9 | 32.8 | -146.8 | -142.5 | 106 | 0 | 0 | 113.2 | | |
| 81 | T | 30.3 | Very low | 34.3 | Very low | 102 Ų | 102 | 120.4 Ų | 120.4 | 63% | 0.626 | 76% | 0.757 | S | S | * | * | | | cis | -131.2 | -179.8 | 11.1 | -19.6 | 0 | 0 | 0 | 0 | 109.4 | | |
| 82 | A | 37.3 | Very low | 34.3 | Very low | 77 Ų | 77 | 118.1 Ų | 118.1 | 64% | 0.636 | 76% | 0.759 | S | S | * | * | | | cis | -152.6 | 154.5 | 13 | 0 | 0 | 0 | 0 | 0 | 111.2 | | |
| 83 | Q | 40.9 | Very low | 34 | Very low | 174 Ų | 174 | 116.4 Ų | 116.4 | 81% | 0.813 | 76% | 0.761 | S | S | * | * | | | | 57.6 | 137.4 | 94.9 | -51.6 | -167 | 57.1 | 0 | 0 | 117 | | |
| 84 | A | 33.4 | Very low | 34.2 | Very low | 83 Ų | 83 | 116.7 Ų | 116.7 | 69% | 0.686 | 76% | 0.763 | S | S | * | * | | | cis | -144.4 | 143 | 11.4 | 0 | 0 | 0 | 0 | 0 | 111 | | |
| 85 | T | 35.4 | Very low | 34.5 | Very low | 120 Ų | 120 | 116 Ų | 116 | 74% | 0.736 | 76% | 0.763 | S | S | * | * | | | | 75.4 | 129.5 | 82 | -44.6 | 0 | 0 | 0 | 0 | 112.2 | | |
| 86 | D | 30.8 | Very low | 34 | Very low | 128 Ų | 128 | 120.2 Ų | 120.2 | 68% | 0.684 | 77% | 0.769 | S | S | * | * | | | | -164.8 | 151.3 | 63.8 | -162.9 | -126.4 | 0 | 0 | 0 | 116.2 | | |
| 87 | L | 37.7 | Very low | 34.1 | Very low | 141 Ų | 141 | 120.4 Ų | 120.4 | 74% | 0.738 | 77% | 0.77 | S | S | * | * | | | trans | 28.6 | 132.3 | 160.8 | -63.6 | 175.6 | 0 | 0 | 0 | 123.3 | | |
| 88 | S | 30.8 | Very low | 34.1 | Very low | 92 Ų | 92 | 123.9 Ų | 123.9 | 64% | 0.643 | 77% | 0.77 | S | S | * | * | | | | 87.1 | 137.4 | 60.6 | -153.1 | 0 | 0 | 0 | 0 | 112.9 | | |
| 89 | L | 34.1 | Very low | 33.9 | Very low | 158 Ų | 158 | 125 Ų | 125 | 83% | 0.827 | 77% | 0.771 | S | S | * | * | | | cis | -153.2 | 170.1 | 46.6 | -79 | 158.2 | 0 | 0 | 0 | 113 | | |
| 90 | S | 39 | Very low | 34.1 | Very low | 118 Ų | 118 | 124.9 Ų | 124.9 | 83% | 0.825 | 77% | 0.77 | S | S | * | * | | | trans | -140.5 | 134.3 | 161.5 | -69.8 | 0 | 0 | 0 | 0 | 112.3 | | |
| 91 | P | 47.6 | Very low | 34.5 | Very low | 129 Ų | 129 | 122.7 Ų | 122.7 | 84% | 0.838 | 77% | 0.771 | S | S | * | * | | | trans | -112.6 | 149.8 | 160.4 | 36.7 | -27.4 | 0 | 0 | 0 | 112.2 | | |
| 92 | G | 29.6 | Very low | 34.4 | Very low | 85 Ų | 85 | 127.1 Ų | 127.1 | 88% | 0.876 | 78% | 0.781 | S | S | * | * | | | trans | -97.6 | 162.7 | 171.3 | 0 | 0 | 0 | 0 | 0 | 113 | | |
| 93 | G | 30.5 | Very low | 34.1 | Very low | 70 Ų | 70 | 132.5 Ų | 132.5 | 72% | 0.722 | 79% | 0.793 | S | S | * | * | | | trans | 176.2 | 140.4 | 173 | 0 | 0 | 0 | 0 | 0 | 111.9 | | |
| 94 | E | 34.7 | Very low | 34.1 | Very low | 173 Ų | 173 | 129.7 Ų | 129.7 | 81% | 0.808 | 79% | 0.79 | S | S | * | * | | | trans | -79.9 | 149.6 | -174.7 | 62.8 | -98 | 52.4 | 0 | 0 | 114.9 | | |
| 95 | S | 34.7 | Very low | 33.6 | Very low | 106 Ų | 106 | 131.1 Ų | 131.1 | 74% | 0.741 | 79% | 0.794 | S | S | * | * | | | | 163.5 | 114.3 | 119.2 | -78.3 | 0 | 0 | 0 | 0 | 115.5 | | |
| 96 | K | 32.1 | Very low | 33.5 | Very low | 207 Ų | 207 | 134.6 Ų | 134.6 | 90% | 0.9 | 80% | 0.802 | S | S | * | * | | | | 35.5 | 87.7 | 127 | -167.3 | -175 | 179.7 | 179.7 | 0 | 118.5 | | |
| 97 | A | 32.3 | Very low | 33.4 | Very low | 103 Ų | 103 | 136.2 Ų | 136.2 | 85% | 0.851 | 81% | 0.805 | S | S | * | * | | | trans | -143.2 | 132.5 | 144.4 | 0 | 0 | 0 | 0 | 0 | 109.6 | | |
| 98 | N | 28 | Very low | 33 | Very low | 153 Ų | 153 | 135.8 Ų | 135.8 | 82% | 0.818 | 81% | 0.808 | S | S | * | * | | | trans | -120.1 | 143.9 | 174.8 | 66.7 | 92.8 | 0 | 0 | 0 | 109 | | |
| 99 | C | 29.1 | Very low | 32.9 | Very low | 120 Ų | 120 | 137 Ų | 137 | 81% | 0.811 | 81% | 0.811 | S | S | * | * | | | trans | -159.1 | 132.5 | 155.3 | -160.5 | 0 | 0 | 0 | 0 | 110.2 | | |
| 100 | S | 32.8 | Very low | 32.7 | Very low | 113 Ų | 113 | 135.4 Ų | 135.4 | 79% | 0.79 | 81% | 0.814 | S | S | * | * | | | trans | -132.8 | 132.3 | 166.2 | -68.4 | 0 | 0 | 0 | 0 | 107.9 | | |
| 101 | P | 44.5 | Very low | 32.3 | Very low | 125 Ų | 125 | 137.5 Ų | 137.5 | 81% | 0.812 | 81% | 0.808 | S | S | * | * | | | trans | -86 | 127.5 | -176.2 | 32 | -33 | 0 | 0 | 0 | 112.2 | | |
| 102 | K | 26.5 | Very low | 32.3 | Very low | 194 Ų | 194 | 136.4 Ų | 136.4 | 84% | 0.843 | 80% | 0.801 | S | S | * | * | | | trans | -150.9 | 104.1 | 163.2 | -101.4 | -166.7 | 176.8 | -176 | 0 | 113.2 | | |
| 103 | Q | 30.9 | Very low | 32.3 | Very low | 190 Ų | 190 | 138.8 Ų | 138.8 | 89% | 0.888 | 79% | 0.789 | S | S | * | * | | | trans | 60.8 | 166.6 | 148.5 | -81.3 | -171.5 | -54.2 | 0 | 0 | 120.3 | | |
| 104 | P | 41.6 | Very low | 32.1 | Very low | 115 Ų | 115 | 141.3 Ų | 141.3 | 75% | 0.747 | 79% | 0.79 | S | S | * | * | | | trans | -113.8 | 172.5 | -153.3 | 42.7 | -35.6 | 0 | 0 | 0 | 116.5 | | |
| 105 | C | 23.3 | Very low | 32 | Very low | 114 Ų | 114 | 137.9 Ų | 137.9 | 77% | 0.77 | 79% | 0.786 | S | S | * | * | | | trans | -148.2 | 127.5 | 163.2 | -87.3 | 0 | 0 | 0 | 0 | 107 | | |
| 106 | Q | 33.2 | Very low | 32 | Very low | 193 Ų | 193 | 140.4 Ų | 140.4 | 90% | 0.902 | 78% | 0.783 | S | S | * | * | | | | 90.7 | 161.2 | 76.1 | -85 | -148.8 | 66.6 | 0 | 0 | 114.6 | | |
| 107 | E | 27.8 | Very low | 32 | Very low | 161 Ų | 161 | 137.5 Ų | 137.5 | 75% | 0.752 | 77% | 0.773 | S | S | * | * | | | trans | -124.7 | 150.2 | -155.5 | 176.6 | -168.8 | 114.6 | 0 | 0 | 112.2 | | |
| 108 | T | 29.5 | Very low | 32.1 | Very low | 132 Ų | 132 | 137 Ų | 137 | 81% | 0.81 | 77% | 0.769 | S | S | * | * | | | trans | -178 | 116.7 | 150 | 15.6 | 0 | 0 | 0 | 0 | 109.2 | | |
| 109 | V | 28.7 | Very low | 32.2 | Very low | 117 Ų | 117 | 134.9 Ų | 134.9 | 71% | 0.709 | 77% | 0.766 | S | S | * | * | | | | 89.9 | 114.4 | 76.8 | 164.4 | 0 | 0 | 0 | 0 | 115.2 | | |
| 110 | S | 30.7 | Very low | 32.4 | Very low | 126 Ų | 126 | 133.5 Ų | 133.5 | 88% | 0.881 | 76% | 0.763 | S | S | * | * | | | trans | -177.6 | 161.4 | 138.7 | -82.4 | 0 | 0 | 0 | 0 | 113.2 | | |
| 111 | K | 29.8 | Very low | 32.3 | Very low | 162 Ų | 162 | 134.8 Ų | 134.8 | 70% | 0.704 | 76% | 0.761 | S | S | * | * | | | trans | -117.9 | -175.4 | -171.5 | -127.7 | -156.4 | 158.7 | -160.4 | 0 | 110 | E113 | K111-E113 WeakPolarHBondContact CE-OE2 3.4Å; K111-E113 IonicContact NZ-OE1 3.42Å; K111-E113 PolarHBondContact NZ-OE1 3.32Å; K111-E113 IonicContact NZ-OE2 2.65Å; K111-E113 PolarHBondContact NZ-OE2 3.02Å |
| 112 | P | 48.3 | Very low | 31.8 | Very low | 106 Ų | 106 | 137.1 Ų | 137.1 | 69% | 0.688 | 76% | 0.761 | S | S | * | * | | | cis | -133 | -156.7 | -2.1 | 48.5 | -30.2 | 0 | 0 | 0 | 112.6 | | |
| 113 | E | 29.6 | Very low | 31.9 | Very low | 134 Ų | 134 | 130.6 Ų | 130.6 | 63% | 0.626 | 75% | 0.749 | S | S | * | * | | | cis | -161 | -161.4 | -8 | -148.1 | 52.4 | 93.1 | 0 | 0 | 109.5 | K111 | K111-E113 WeakPolarHBondContact CE-OE2 3.4Å; K111-E113 IonicContact NZ-OE1 3.42Å; K111-E113 PolarHBondContact NZ-OE1 3.32Å; K111-E113 IonicContact NZ-OE2 2.65Å; K111-E113 PolarHBondContact NZ-OE2 3.02Å |
| 114 | V | 26.2 | Very low | 32 | Very low | 123 Ų | 123 | 127.6 Ų | 127.6 | 75% | 0.745 | 75% | 0.749 | S | S | * | * | | | trans | 92.3 | 110.4 | 163.3 | -178.6 | 0 | 0 | 0 | 0 | 118.5 | | |
| 115 | S | 33.1 | Very low | 31.5 | Very low | 101 Ų | 101 | 130.7 Ų | 130.7 | 71% | 0.706 | 75% | 0.746 | S | S | * | * | | | trans | 69.7 | 163.5 | 158.3 | -64.9 | 0 | 0 | 0 | 0 | 118.4 | | |
| 116 | K | 35 | Very low | 32.6 | Very low | 159 Ų | 159 | 133.3 Ų | 133.3 | 69% | 0.691 | 75% | 0.752 | S | S | * | * | | | cis | -170.2 | 162.1 | -28.3 | -99.8 | -166.5 | 176.9 | -77.7 | 0 | 106.2 | | |
| 117 | E | 31.3 | Very low | 32.4 | Very low | 147 Ų | 147 | 130.8 Ų | 130.8 | 69% | 0.687 | 74% | 0.74 | S | S | * | * | | | cis | -177.5 | 141.9 | -20 | 174.2 | 162.4 | 86.3 | 0 | 0 | 110.8 | | |
| 118 | A | 34.6 | Very low | 32.6 | Very low | 93 Ų | 93 | 128.7 Ų | 128.7 | 77% | 0.769 | 74% | 0.743 | S | S | * | * | | | trans | 62.8 | 158.1 | 166.8 | 0 | 0 | 0 | 0 | 0 | 119.4 | | |
| 119 | S | 29.7 | Very low | 32.8 | Very low | 108 Ų | 108 | 127.4 Ų | 127.4 | 76% | 0.755 | 75% | 0.746 | S | S | * | * | | | cis | -168.8 | 168 | -33.3 | 58.8 | 0 | 0 | 0 | 0 | 110.7 | | |
| 120 | A | 33.1 | Very low | 33.3 | Very low | 91 Ų | 91 | 126.5 Ų | 126.5 | 75% | 0.752 | 75% | 0.75 | S | S | * | * | | | trans | 70.5 | 158.1 | 166.3 | 0 | 0 | 0 | 0 | 0 | 117.2 | | |
| 121 | D | 30.5 | Very low | 34.3 | Very low | 140 Ų | 140 | 125.9 Ų | 125.9 | 75% | 0.749 | 74% | 0.743 | S | S | * | * | | | cis | -149.1 | 159.4 | -1.4 | -151.9 | -140 | 0 | 0 | 0 | 114.9 | | |
| 122 | Q | 34.8 | Very low | 34.8 | Very low | 173 Ų | 173 | 124.4 Ų | 124.4 | 81% | 0.808 | 75% | 0.75 | S | S | * | * | | | trans | 12 | 155.8 | 156.1 | -64 | -75.7 | 7.4 | 0 | 0 | 125.2 | | |
| 123 | G | 29.4 | Very low | 34.4 | Very low | 58 Ų | 58 | 127.7 Ų | 127.7 | 60% | 0.598 | 76% | 0.756 | S | S | * | * | | | trans | 117.3 | 98 | 150.9 | 0 | 0 | 0 | 0 | 0 | 115.2 | | |
| 124 | S | 31.8 | Very low | 35.2 | Very low | 126 Ų | 126 | 126.1 Ų | 126.1 | 88% | 0.881 | 76% | 0.758 | S | S | * | * | | | | 65.8 | 140.4 | 74.3 | 93 | 0 | 0 | 0 | 0 | 113.7 | | |
| 125 | R | 31.2 | Very low | 35.9 | Very low | 180 Ų | 180 | 124.6 Ų | 124.6 | 68% | 0.679 | 76% | 0.758 | S | S | * | * | | | cis | -159.7 | 153.1 | 12.2 | 174.8 | 173.1 | 172.1 | -95.1 | -4.2 | 109.7 | E127 | R125-E127 IonicContact CZ-OE1 2.69Å; R125-E127 VanDerWaalsContact CZ-OE1 3.26Å; R125-E127 IonicContact CZ-OE2 3.26Å; R125-E127 IonicContact NH1-OE1 3.56Å; R125-E127 PolarHBondContact NH1-OE1 3.4Å; R125-E127 IonicContact NH1-OE2 2.68Å; R125-E127 IonicContact NH2-OE1 2.7Å; R125-E127 PolarHBondContact NH2-OE1 3.25Å; R125-E127 IonicContact NH2-OE2 3Å; R125-E127 PolarHBondContact NH2-OE2 3.45Å |
| 126 | L | 45.5 | Very low | 36.4 | Very low | 170 Ų | 170 | 125.8 Ų | 125.8 | 89% | 0.89 | 76% | 0.764 | S | S | * | * | | | trans | -89.5 | 127.7 | 170.5 | -79.3 | 169.2 | 0 | 0 | 0 | 111.8 | | |
| 127 | E | 29 | Very low | 36.6 | Very low | 140 Ų | 140 | 126.9 Ų | 126.9 | 65% | 0.654 | 77% | 0.771 | S | S | * | * | | | trans | -165.2 | 118 | 160.2 | -149.8 | 150.8 | 57.5 | 0 | 0 | 106.7 | R125 | R125-E127 IonicContact CZ-OE1 2.69Å; R125-E127 VanDerWaalsContact CZ-OE1 3.26Å; R125-E127 IonicContact CZ-OE2 3.26Å; R125-E127 IonicContact NH1-OE1 3.56Å; R125-E127 PolarHBondContact NH1-OE1 3.4Å; R125-E127 IonicContact NH1-OE2 2.68Å; R125-E127 IonicContact NH2-OE1 2.7Å; R125-E127 PolarHBondContact NH2-OE1 3.25Å; R125-E127 IonicContact NH2-OE2 3Å; R125-E127 PolarHBondContact NH2-OE2 3.45Å |
| 128 | S | 32.6 | Very low | 37.2 | Very low | 117 Ų | 117 | 125 Ų | 125 | 82% | 0.818 | 77% | 0.771 | S | S | * | * | | | cis | 96.5 | 91.5 | 36 | -175.1 | 0 | 0 | 0 | 0 | 113.8 | | |
| 129 | A | 33.5 | Very low | 37.5 | Very low | 105 Ų | 105 | 125 Ų | 125 | 87% | 0.868 | 77% | 0.772 | S | S | * | * | | | trans | -167.3 | 131.4 | 152.9 | 0 | 0 | 0 | 0 | 0 | 112.4 | | |
| 130 | A | 38.8 | Very low | 38.2 | Very low | 97 Ų | 97 | 126 Ų | 126 | 80% | 0.802 | 78% | 0.776 | S | S | * | * | | | trans | -168.7 | 163.9 | 166.1 | 0 | 0 | 0 | 0 | 0 | 108.7 | | |
| 131 | P | 51.9 | Low | 38.5 | Very low | 114 Ų | 114 | 130.7 Ų | 130.7 | 74% | 0.74 | 78% | 0.782 | S | S | * | * | | | cis | -110.9 | -165.3 | -12 | 39.7 | -26.2 | 0 | 0 | 0 | 111.7 | | |
| 132 | P | 41.3 | Very low | 39.2 | Very low | 130 Ų | 130 | 129.8 Ų | 129.8 | 84% | 0.844 | 78% | 0.784 | S | S | * | * | | | | -137.7 | 178.8 | 104.7 | 39.5 | -28.5 | 0 | 0 | 0 | 114.9 | | |
| 133 | E | 39.9 | Very low | 39.4 | Very low | 175 Ų | 175 | 128.5 Ų | 128.5 | 82% | 0.818 | 78% | 0.782 | S | S | * | * | | | trans | -123.8 | -179.9 | -168.4 | -143.6 | -165.8 | 116.7 | 0 | 0 | 110.5 | | |
| 134 | P | 46 | Very low | 39.7 | Very low | 102 Ų | 102 | 131.9 Ų | 131.9 | 66% | 0.662 | 79% | 0.794 | S | S | * | * | | | | -118.1 | 179.7 | -81.8 | 38.3 | -27 | 0 | 0 | 0 | 116.3 | | |
| 135 | A | 40.9 | Very low | 39.9 | Very low | 91 Ų | 91 | 134.1 Ų | 134.1 | 75% | 0.752 | 79% | 0.79 | S | S | * | * | | | trans | 75.2 | 162.2 | 154.5 | 0 | 0 | 0 | 0 | 0 | 118.3 | | |
| 136 | P | 43.6 | Very low | 40.4 | Very low | 126 Ų | 126 | 130.1 Ų | 130.1 | 82% | 0.818 | 79% | 0.788 | S | S | * | * | | | cis | -127.7 | 168.5 | 2.1 | 41.9 | -27.2 | 0 | 0 | 0 | 117.2 | | |
| 137 | E | 39.1 | Very low | 39.8 | Very low | 182 Ų | 182 | 128.9 Ų | 128.9 | 85% | 0.85 | 78% | 0.782 | S | S | * | * | | | trans | -109.9 | 177.2 | 159.7 | -123 | -167.8 | 93.3 | 0 | 0 | 108.2 | | |
| 138 | P | 44.6 | Very low | 40 | Very low | 106 Ų | 106 | 127.9 Ų | 127.9 | 69% | 0.688 | 79% | 0.791 | S | S | * | * | | | cis | -134.2 | 179.1 | -9.1 | 42 | -26.4 | 0 | 0 | 0 | 114.7 | | |
| 139 | A | 41.3 | Very low | 40.3 | Very low | 95 Ų | 95 | 129.5 Ų | 129.5 | 79% | 0.785 | 79% | 0.785 | S | S | * | * | | | trans | -157.3 | 144.4 | 154.3 | 0 | 0 | 0 | 0 | 0 | 111.7 | | |
| 140 | P | 42.6 | Very low | 40.6 | Very low | 128 Ų | 128 | 130.3 Ų | 130.3 | 83% | 0.831 | 78% | 0.782 | S | S | * | * | P | Polyproline II helix | trans | -101.9 | 169.4 | -171.2 | 38.7 | -34.8 | 0 | 0 | 0 | 115.1 | | |
| 141 | Q | 40.4 | Very low | 40.5 | Very low | 189 Ų | 189 | 131 Ų | 131 | 88% | 0.883 | 78% | 0.776 | S | S | * | * | P | Polyproline II helix | trans | -93.2 | 148.1 | 162.1 | -65.9 | -165.9 | -67.7 | 0 | 0 | 111 | | |
| 142 | P | 44.7 | Very low | 40 | Very low | 121 Ų | 121 | 131.5 Ų | 131.5 | 79% | 0.786 | 78% | 0.779 | S | S | * | * | P | Polyproline II helix | trans | -95.4 | 157.8 | -170 | 36.9 | -36.7 | 0 | 0 | 0 | 115.5 | | |
| 143 | D | 38.7 | Very low | 39.7 | Very low | 146 Ų | 146 | 134.6 Ų | 134.6 | 78% | 0.781 | 78% | 0.78 | S | S | * | * | P | Polyproline II helix | trans | -70.7 | 159.1 | 172.8 | -53.2 | -96.5 | 0 | 0 | 0 | 114.6 | | |
| 144 | P | 35.3 | Very low | 39.7 | Very low | 130 Ų | 130 | 131.6 Ų | 131.6 | 84% | 0.844 | 78% | 0.775 | S | S | * | * | | | trans | -82.8 | 104.8 | 150.1 | 6.9 | 12.6 | 0 | 0 | 0 | 109.8 | | |
| 145 | Q | 37.5 | Very low | 39.1 | Very low | 172 Ų | 172 | 131.1 Ų | 131.1 | 80% | 0.804 | 78% | 0.78 | S | S | * | * | | | trans | -74.5 | 158.5 | 173.1 | -108.1 | -136.1 | -75.6 | 0 | 0 | 112.7 | | |
| 146 | P | 41.6 | Very low | 38.7 | Very low | 96 Ų | 96 | 134.6 Ų | 134.6 | 62% | 0.623 | 78% | 0.784 | S | S | * | * | | | trans | -75.6 | 178.2 | 165.7 | 34.5 | -38.1 | 0 | 0 | 0 | 113 | | |
| 147 | D | 32.2 | Very low | 38.2 | Very low | 145 Ų | 145 | 136.8 Ų | 136.8 | 78% | 0.775 | 78% | 0.783 | S | S | * | * | | | trans | 85.8 | 144 | 161.7 | -120.6 | -48.3 | 0 | 0 | 0 | 119.7 | | |
| 148 | S | 33.2 | Very low | 38.5 | Very low | 119 Ų | 119 | 133.6 Ų | 133.6 | 83% | 0.832 | 78% | 0.778 | S | S | * | * | | | trans | -171.1 | 75.2 | 175.2 | -79.9 | 0 | 0 | 0 | 0 | 110.4 | | |
| 149 | Q | 39.3 | Very low | 37.7 | Very low | 150 Ų | 150 | 132.6 Ų | 132.6 | 70% | 0.701 | 78% | 0.779 | S | S | * | * | | | trans | -77.3 | 146 | 166.4 | -157.3 | -164.9 | 1.1 | 0 | 0 | 110.3 | T151 | Q149-T151 PolarHBondContact NE2-OG1 3.26Š|
| 150 | P | 39 | Very low | 37.5 | Very low | 122 Ų | 122 | 136 Ų | 136 | 79% | 0.792 | 78% | 0.783 | S | S | * | * | | | | -143.9 | 153.8 | 113.5 | 36.4 | -22.8 | 0 | 0 | 0 | 115.1 | | |
| 151 | T | 37.6 | Very low | 37.4 | Very low | 112 Ų | 112 | 134.6 Ų | 134.6 | 69% | 0.687 | 77% | 0.774 | S | S | * | * | | | trans | -105.4 | 153.8 | 161.8 | 14.4 | 0 | 0 | 0 | 0 | 108.9 | Q149 | Q149-T151 PolarHBondContact NE2-OG1 3.26Š|
| 152 | P | 41.3 | Very low | 36.7 | Very low | 124 Ų | 124 | 130.8 Ų | 130.8 | 81% | 0.805 | 76% | 0.764 | S | S | * | * | | | cis | -146.8 | -170.6 | 48 | 40.1 | -18.1 | 0 | 0 | 0 | 117.9 | | |
| 153 | K | 34 | Very low | 36.2 | Very low | 196 Ų | 196 | 133.1 Ų | 133.1 | 85% | 0.852 | 76% | 0.764 | S | S | * | * | | | trans | -45.2 | 168.6 | 168.8 | -104.6 | -178.2 | 175.3 | 175 | 0 | 115.6 | | |
| 154 | P | 41.2 | Very low | 35.9 | Very low | 111 Ų | 111 | 135.1 Ų | 135.1 | 72% | 0.721 | 77% | 0.769 | S | S | * | * | | | cis | -146.8 | 160.2 | 20.4 | 39.6 | -18.6 | 0 | 0 | 0 | 121.5 | | |
| 155 | A | 32.9 | Very low | 35.7 | Very low | 92 Ų | 92 | 135.7 Ų | 135.7 | 76% | 0.76 | 77% | 0.765 | S | S | * | * | | | trans | 78.9 | 162.9 | 135 | 0 | 0 | 0 | 0 | 0 | 124.5 | | |
| 156 | I | 31.9 | Very low | 36 | Very low | 164 Ų | 164 | 132.3 Ų | 132.3 | 84% | 0.841 | 76% | 0.758 | S | S | * | * | | | trans | 88.2 | 96.8 | 164.6 | -52.1 | -171.2 | 0 | 0 | 0 | 118.5 | | |
| 157 | Q | 34.8 | Very low | 35.5 | Very low | 173 Ų | 173 | 133.4 Ų | 133.4 | 81% | 0.808 | 76% | 0.763 | S | S | * | * | | | trans | -66.9 | 158.8 | 148.3 | -76.3 | -116.6 | 41.3 | 0 | 0 | 110.1 | | |
| 158 | P | 43.6 | Very low | 36.1 | Very low | 115 Ų | 115 | 131.7 Ų | 131.7 | 75% | 0.747 | 76% | 0.759 | S | S | * | * | | | cis | -157.5 | -164.6 | 48 | 43.3 | -20.5 | 0 | 0 | 0 | 118 | | |
| 159 | A | 28.9 | Very low | 36.2 | Very low | 85 Ų | 85 | 135.4 Ų | 135.4 | 70% | 0.702 | 76% | 0.764 | S | S | * | * | | | trans | 99.9 | 108.1 | 145 | 0 | 0 | 0 | 0 | 0 | 119.9 | | |
| 160 | L | 37 | Very low | 35.9 | Very low | 166 Ų | 166 | 135.5 Ų | 135.5 | 87% | 0.869 | 77% | 0.767 | S | S | * | * | | | trans | -89.3 | 140 | 143.9 | 174.9 | 69.5 | 0 | 0 | 0 | 108.3 | | |
| 161 | P | 40 | Very low | 35.5 | Very low | 98 Ų | 98 | 137.7 Ų | 137.7 | 64% | 0.636 | 77% | 0.772 | S | S | * | * | | | trans | -126.2 | 144.8 | 133.6 | -3.4 | 25.2 | 0 | 0 | 0 | 114 | | |
| 162 | T | 26.2 | Very low | 35.1 | Very low | 109 Ų | 109 | 136.9 Ų | 136.9 | 67% | 0.669 | 77% | 0.77 | S | S | * | * | | | | 54.4 | 101.4 | 119.2 | -50.5 | 0 | 0 | 0 | 0 | 116.6 | | |
| 163 | Q | 33.5 | Very low | 34.7 | Very low | 170 Ų | 170 | 140.5 Ų | 140.5 | 79% | 0.794 | 78% | 0.777 | S | S | * | * | | | | 108.9 | 136 | 76.6 | 169.3 | -176 | 63.4 | 0 | 0 | 108.9 | | |
| 164 | E | 32.4 | Very low | 34.5 | Very low | 189 Ų | 189 | 136.2 Ų | 136.2 | 88% | 0.883 | 77% | 0.771 | S | S | * | * | | | trans | -172.8 | 127.1 | 132.8 | -80 | -128.5 | 93.6 | 0 | 0 | 108.2 | | |
| 165 | D | 31.8 | Very low | 34.1 | Very low | 142 Ų | 142 | 137.3 Ų | 137.3 | 76% | 0.759 | 78% | 0.776 | S | S | * | * | | | trans | -132.4 | 132.9 | 165.2 | 166.8 | 55.2 | 0 | 0 | 0 | 104.4 | | |
| 166 | P | 44.5 | Very low | 34 | Very low | 100 Ų | 100 | 141.3 Ų | 141.3 | 65% | 0.649 | 78% | 0.779 | S | S | * | * | | | | -152.3 | 157 | 112.5 | 38.3 | -21.8 | 0 | 0 | 0 | 116.7 | | |
| 167 | T | 30.2 | Very low | 33.8 | Very low | 120 Ų | 120 | 142.7 Ų | 142.7 | 74% | 0.736 | 78% | 0.782 | S | S | * | * | | | trans | 106 | 129.6 | 145.4 | -40.9 | 0 | 0 | 0 | 0 | 116.2 | | |
| 168 | P | 45.3 | Very low | 33.7 | Very low | 108 Ų | 108 | 140.8 Ų | 140.8 | 70% | 0.701 | 77% | 0.77 | S | S | * | * | | | trans | -103 | 167.2 | -174.9 | 40.4 | -36.1 | 0 | 0 | 0 | 114.3 | | |
| 169 | E | 34 | Very low | 33.2 | Very low | 197 Ų | 197 | 145 Ų | 145 | 92% | 0.921 | 78% | 0.78 | S | S | * | * | | | trans | -122.4 | 152.9 | 153.5 | -75 | -155.6 | 107.5 | 0 | 0 | 111.3 | | |
| 170 | I | 33.1 | Very low | 33.3 | Very low | 152 Ų | 152 | 147.7 Ų | 147.7 | 78% | 0.779 | 78% | 0.778 | S | S | * | * | | | trans | -121.4 | 125 | 178.3 | -63.7 | 171.7 | 0 | 0 | 0 | 108 | | |
| 171 | L | 31.8 | Very low | 32.8 | Very low | 169 Ų | 169 | 147.3 Ų | 147.3 | 89% | 0.885 | 78% | 0.777 | S | S | * | * | | | trans | -153.3 | 133.7 | 146.5 | -124.3 | 168 | 0 | 0 | 0 | 111.4 | | |
| 172 | S | 29.5 | Very low | 32.4 | Very low | 94 Ų | 94 | 146.5 Ų | 146.5 | 66% | 0.657 | 79% | 0.787 | S | S | * | * | | | trans | -76.1 | 151 | 175.5 | -44.5 | 0 | 0 | 0 | 0 | 111.5 | | |
| 173 | E | 31.2 | Very low | 32.6 | Very low | 200 Ų | 200 | 145.9 Ų | 145.9 | 94% | 0.935 | 79% | 0.793 | S | S | * | * | | | trans | -123.3 | 129.7 | 144 | -166.9 | 172.4 | 112.3 | 0 | 0 | 108.8 | | |
| 174 | S | 30.9 | Very low | 32.5 | Very low | 106 Ų | 106 | 144.7 Ų | 144.7 | 74% | 0.741 | 80% | 0.797 | S | S | * | * | | | trans | -155.5 | 106.1 | -179.2 | 60.6 | 0 | 0 | 0 | 0 | 110.9 | | |
| 175 | V | 33.1 | Very low | 32.8 | Very low | 134 Ų | 134 | 141.3 Ų | 141.3 | 81% | 0.812 | 79% | 0.788 | S | S | * | * | | | trans | -147.5 | 110.8 | 162.1 | 144.1 | 0 | 0 | 0 | 0 | 103.7 | | |
| 176 | E | 30.8 | Very low | 33.1 | Very low | 176 Ų | 176 | 140.4 Ų | 140.4 | 82% | 0.822 | 79% | 0.791 | S | S | * | * | | | | 78.2 | 99.8 | 65.9 | -170.6 | -173.8 | 131.2 | 0 | 0 | 112.4 | | |
| 177 | E | 26.9 | Very low | 32.6 | Very low | 194 Ų | 194 | 143.4 Ų | 143.4 | 91% | 0.907 | 80% | 0.8 | S | S | * | * | | | trans | -127.3 | 81 | 152.3 | -158.4 | -179 | 142.3 | 0 | 0 | 110.6 | | |
| 178 | K | 34 | Very low | 32.7 | Very low | 132 Ų | 132 | 146.7 Ų | 146.7 | 57% | 0.574 | 81% | 0.807 | S | S | * | * | | | trans | 48.7 | 94.5 | 137.2 | -159.9 | -172 | -176.2 | -155.4 | 0 | 119 | E180 | K178-E180 WeakPolarHBondContact CE-OE2 3Å; K178-E180 VanDerWaalsContact NZ-CD 3.26Å; K178-E180 IonicContact NZ-OE1 3.75Å; K178-E180 PolarHBondContact NZ-OE1 3.4Å; K178-E180 IonicContact NZ-OE2 2.71Å; K178-E180 PolarHBondContact NZ-OE2 2.91Å |
| 179 | Q | 31.4 | Very low | 32.1 | Very low | 203 Ų | 203 | 146.2 Ų | 146.2 | 95% | 0.949 | 81% | 0.813 | S | S | * | * | | | trans | -73.7 | 139.6 | 141.3 | -79.5 | -172.8 | -91.6 | 0 | 0 | 109.5 | | |
| 180 | E | 31.1 | Very low | 31.9 | Very low | 142 Ų | 142 | 140.1 Ų | 140.1 | 66% | 0.664 | 80% | 0.803 | S | S | * | * | | | trans | -108.8 | 135 | 176.2 | -172.5 | 148.5 | 71 | 0 | 0 | 113 | K178 | K178-E180 WeakPolarHBondContact CE-OE2 3Å; K178-E180 VanDerWaalsContact NZ-CD 3.26Å; K178-E180 IonicContact NZ-OE1 3.75Å; K178-E180 PolarHBondContact NZ-OE1 3.4Å; K178-E180 IonicContact NZ-OE2 2.71Å; K178-E180 PolarHBondContact NZ-OE2 2.91Å |
| 181 | N | 28.1 | Very low | 31.9 | Very low | 159 Ų | 159 | 141.3 Ų | 141.3 | 85% | 0.85 | 81% | 0.81 | S | S | * | * | | | trans | -28.8 | 147.2 | 178.8 | -69.6 | -84.9 | 0 | 0 | 0 | 119.4 | | |
| 182 | G | 30.8 | Very low | 32 | Very low | 81 Ų | 81 | 136 Ų | 136 | 84% | 0.835 | 80% | 0.797 | S | S | * | * | | | trans | -167 | 17.5 | 170.7 | 0 | 0 | 0 | 0 | 0 | 117.3 | | |
| 183 | A | 29.6 | Very low | 32.3 | Very low | 96 Ų | 96 | 140 Ų | 140 | 79% | 0.793 | 81% | 0.805 | S | S | * | * | P | Polyproline II helix | trans | -101.6 | 116.6 | -178 | 0 | 0 | 0 | 0 | 0 | 112.2 | | |
| 184 | V | 32.7 | Very low | 32.5 | Very low | 145 Ų | 145 | 139.1 Ų | 139.1 | 88% | 0.879 | 80% | 0.801 | S | S | * | * | P | Polyproline II helix | trans | -101.9 | 123.5 | 171 | -80.2 | 0 | 0 | 0 | 0 | 110.8 | | |
| 185 | V | 39.1 | Very low | 32.6 | Very low | 117 Ų | 117 | 137.1 Ų | 137.1 | 71% | 0.709 | 80% | 0.797 | S | S | * | * | P | Polyproline II helix | trans | -97 | 128.2 | -179.7 | -176.7 | 0 | 0 | 0 | 0 | 110 | L187 | V185-L187 HydrophobicContact CG1-CD2 4.38Å; V185-L187 HydrophobicContact CG1-CG 3.97Å; V185-L187 PolarHBondContact O-N 3.45Å |
| 186 | P | 37.8 | Very low | 33 | Very low | 124 Ų | 124 | 136.9 Ų | 136.9 | 81% | 0.805 | 80% | 0.799 | S | S | * | * | | | trans | -84.1 | 104.8 | 163.2 | 3.9 | 14.7 | 0 | 0 | 0 | 109.5 | | |
| 187 | L | 33.6 | Very low | 33.1 | Very low | 162 Ų | 162 | 132.7 Ų | 132.7 | 85% | 0.848 | 79% | 0.794 | S | S | * | * | | | trans | -101.7 | 95.8 | 162.8 | -75.6 | -178.9 | 0 | 0 | 0 | 109.4 | V185 | V185-L187 HydrophobicContact CG1-CD2 4.38Å; V185-L187 HydrophobicContact CG1-CG 3.97Å; V185-L187 PolarHBondContact O-N 3.45Å |
| 188 | Q | 31.1 | Very low | 33.8 | Very low | 190 Ų | 190 | 128.6 Ų | 128.6 | 89% | 0.888 | 78% | 0.784 | S | S | * | * | | | trans | -80.4 | 115.5 | 167 | -169.9 | 83.4 | 44.4 | 0 | 0 | 108.2 | | |
| 189 | A | 33.4 | Very low | 33.8 | Very low | 98 Ų | 98 | 130.3 Ų | 130.3 | 81% | 0.81 | 79% | 0.794 | S | S | * | * | | | trans | -111.7 | 124.3 | 167.1 | 0 | 0 | 0 | 0 | 0 | 108.5 | | |
| 190 | G | 30.3 | Very low | 34.2 | Very low | 69 Ų | 69 | 125.3 Ų | 125.3 | 71% | 0.711 | 78% | 0.779 | S | S | * | * | | | trans | 161.2 | 82.6 | -178.2 | 0 | 0 | 0 | 0 | 0 | 114.7 | | |
| 191 | D | 31.9 | Very low | 34 | Very low | 176 Ų | 176 | 127.2 Ų | 127.2 | 94% | 0.941 | 79% | 0.788 | S | S | * | * | | | trans | 62.5 | 135.8 | 137.3 | -142.3 | -129.8 | 0 | 0 | 0 | 121.6 | | |
| 192 | G | 35 | Very low | 34.1 | Very low | 59 Ų | 59 | 127.5 Ų | 127.5 | 61% | 0.608 | 79% | 0.789 | S | S | * | * | | | trans | 112 | 102.1 | 157.7 | 0 | 0 | 0 | 0 | 0 | 118.4 | | |
| 193 | E | 35.7 | Very low | 35.2 | Very low | 178 Ų | 178 | 128.8 Ų | 128.8 | 83% | 0.832 | 78% | 0.782 | S | S | * | * | | | | 32.5 | 141.2 | 129.5 | -45 | -52.1 | 75.6 | 0 | 0 | 120.9 | | |
| 194 | E | 34.8 | Very low | 35.4 | Very low | 180 Ų | 180 | 130.3 Ų | 130.3 | 84% | 0.841 | 78% | 0.784 | S | S | * | * | | | cis | -166.6 | 156.1 | -16.1 | -168.2 | -157.9 | 63.7 | 0 | 0 | 106.5 | | |
| 195 | G | 33.7 | Very low | 35.5 | Very low | 64 Ų | 64 | 128.6 Ų | 128.6 | 66% | 0.66 | 78% | 0.778 | S | S | * | * | | | trans | 97.3 | 164.9 | 154.8 | 0 | 0 | 0 | 0 | 0 | 117.7 | | |
| 196 | P | 42.3 | Very low | 35.1 | Very low | 130 Ų | 130 | 132.5 Ų | 132.5 | 84% | 0.844 | 79% | 0.786 | S | S | * | * | | | trans | -121.9 | 166.4 | -143.3 | 40.5 | -28.8 | 0 | 0 | 0 | 117.1 | | |
| 197 | A | 32.1 | Very low | 34.8 | Very low | 88 Ų | 88 | 135.6 Ų | 135.6 | 73% | 0.727 | 79% | 0.786 | S | S | * | * | | | trans | -70.2 | 179 | 162.7 | 0 | 0 | 0 | 0 | 0 | 111.6 | | |
| 198 | P | 42.4 | Very low | 34.7 | Very low | 108 Ų | 108 | 132.2 Ų | 132.2 | 70% | 0.701 | 78% | 0.777 | S | S | * | * | | | cis | -141.9 | 156.8 | 8.6 | 41.5 | -23 | 0 | 0 | 0 | 118.6 | | |
| 199 | E | 33.1 | Very low | 35.9 | Very low | 168 Ų | 168 | 128.7 Ų | 128.7 | 79% | 0.785 | 77% | 0.77 | S | S | * | * | | | trans | 57.5 | 178.9 | 144.3 | -74.8 | -155.1 | 99.3 | 0 | 0 | 120.5 | | |
| 200 | P | 38.7 | Very low | 36.6 | Very low | 98 Ų | 98 | 129.9 Ų | 129.9 | 64% | 0.636 | 77% | 0.77 | S | S | * | * | | | | -131.1 | 116.7 | -52 | 33.4 | -18.2 | 0 | 0 | 0 | 112.7 | | |
| 201 | H | 26.9 | Very low | 36.7 | Very low | 181 Ų | 181 | 130.1 Ų | 130.1 | 84% | 0.838 | 77% | 0.765 | S | S | * | * | | | trans | -150 | 136.1 | 173.9 | -1.5 | -68.2 | 0 | 0 | 0 | 115.2 | | |
| 202 | L | 31.3 | Very low | 36.9 | Very low | 166 Ų | 166 | 129.7 Ų | 129.7 | 87% | 0.869 | 76% | 0.763 | S | S | * | * | | | trans | -94.5 | 170.7 | 168.2 | -67.8 | 170 | 0 | 0 | 0 | 110.4 | | |
| 203 | P | 53.7 | Low | 36.8 | Very low | 107 Ų | 107 | 130.8 Ų | 130.8 | 70% | 0.695 | 77% | 0.774 | S | S | * | * | | | cis | -124.3 | -160.6 | -42.9 | 39 | -24 | 0 | 0 | 0 | 109.6 | | |
| 204 | P | 33 | Very low | 36.8 | Very low | 129 Ų | 129 | 127 Ų | 127 | 84% | 0.838 | 77% | 0.772 | S | S | * | * | | | trans | -137.5 | 130.1 | 131.2 | 35 | -23.6 | 0 | 0 | 0 | 114.4 | | |
| 205 | S | 36.7 | Very low | 37.2 | Very low | 108 Ų | 108 | 123.7 Ų | 123.7 | 76% | 0.755 | 77% | 0.767 | S | S | * | * | | | trans | -106.3 | 127.5 | 167.4 | 178.2 | 0 | 0 | 0 | 0 | 110.8 | | |
| 206 | K | 30.3 | Very low | 37.7 | Very low | 200 Ų | 200 | 126.8 Ų | 126.8 | 87% | 0.87 | 78% | 0.775 | S | S | * | * | | | trans | -140.3 | 104.1 | 158.6 | -66.3 | -174.9 | -177.8 | 172.9 | 0 | 107.2 | | |
| 207 | K | 31 | Very low | 37.8 | Very low | 188 Ų | 188 | 131.7 Ų | 131.7 | 82% | 0.817 | 78% | 0.777 | S | S | * | * | | | | 87.4 | 124.9 | 62.4 | -179.7 | -180 | -174.9 | 171.3 | 0 | 110.8 | | |
| 208 | S | 32 | Very low | 38 | Very low | 92 Ų | 92 | 134.5 Ų | 134.5 | 64% | 0.643 | 79% | 0.785 | S | S | * | * | | | cis | -166.7 | 167.4 | -7.2 | 43.8 | 0 | 0 | 0 | 0 | 110.6 | | |
| 209 | P | 55.3 | Low | 38 | Very low | 116 Ų | 116 | 137.1 Ų | 137.1 | 75% | 0.753 | 79% | 0.792 | S | S | * | * | | | trans | -88 | -158.2 | 175.3 | 45.7 | -41.7 | 0 | 0 | 0 | 109.7 | | |
| 210 | P | 49.4 | Very low | 38.3 | Very low | 123 Ų | 123 | 138 Ų | 138 | 80% | 0.799 | 80% | 0.796 | S | S | * | * | | | cis | -131.3 | -167.5 | 34.1 | 48.5 | -28.8 | 0 | 0 | 0 | 112.9 | | |
| 211 | A | 31.6 | Very low | 38.3 | Very low | 73 Ų | 73 | 142 Ų | 142 | 60% | 0.603 | 81% | 0.806 | S | S | * | * | | | | -161 | 152 | 59.6 | 0 | 0 | 0 | 0 | 0 | 114.7 | | |
| 212 | N | 36.5 | Very low | 38.8 | Very low | 168 Ų | 168 | 141.7 Ų | 141.7 | 90% | 0.898 | 81% | 0.81 | S | S | * | * | | | trans | 69.5 | 127.4 | 164.2 | -45.8 | -34.1 | 0 | 0 | 0 | 117.8 | | |
| 213 | G | 32.7 | Very low | 39 | Very low | 82 Ų | 82 | 139 Ų | 139 | 85% | 0.845 | 80% | 0.8 | S | S | * | * | | | cis | 151.1 | 65.2 | -13.2 | 0 | 0 | 0 | 0 | 0 | 117.3 | | |
| 214 | A | 36.1 | Very low | 38.4 | Very low | 97 Ų | 97 | 142.4 Ų | 142.4 | 80% | 0.802 | 81% | 0.807 | S | S | * | * | | | trans | -162.3 | 154 | 164 | 0 | 0 | 0 | 0 | 0 | 111.9 | | |
| 215 | P | 41.8 | Very low | 38.4 | Very low | 111 Ų | 111 | 145.2 Ų | 145.2 | 72% | 0.721 | 81% | 0.808 | S | S | * | * | | | trans | -93 | 155.6 | -175.8 | 36.2 | -35.4 | 0 | 0 | 0 | 114.5 | | |
| 216 | P | 44.4 | Very low | 38.4 | Very low | 129 Ų | 129 | 147.7 Ų | 147.7 | 84% | 0.838 | 81% | 0.813 | S | S | * | * | | | trans | -80.7 | 124.7 | 179 | 31.8 | -33.9 | 0 | 0 | 0 | 112.7 | | |
| 217 | R | 44 | Very low | 38.9 | Very low | 234 Ų | 234 | 148.8 Ų | 148.8 | 88% | 0.883 | 81% | 0.812 | S | S | * | * | | | trans | -149.6 | 78.8 | 170.4 | -73.5 | -164.8 | 176.1 | -158.6 | -0.3 | 113 | | |
| 218 | V | 36.9 | Very low | 39 | Very low | 147 Ų | 147 | 149 Ų | 149 | 89% | 0.891 | 82% | 0.818 | S | S | * | * | | | trans | -140.6 | 80.2 | 162.1 | -171.1 | 0 | 0 | 0 | 0 | 109.4 | | |
| 219 | L | 42.1 | Very low | 39.1 | Very low | 162 Ų | 162 | 148.2 Ų | 148.2 | 85% | 0.848 | 82% | 0.824 | S | S | * | * | S | Bend | trans | -154 | 51.4 | 167 | -138.7 | -178.8 | 0 | 0 | 0 | 111.5 | | |
| 220 | Q | 40.2 | Very low | 38.1 | Very low | 186 Ų | 186 | 153.4 Ų | 153.4 | 87% | 0.869 | 83% | 0.829 | S | S | * | * | S | Bend | trans | -162.5 | 159.3 | 168.6 | -115.7 | 150.7 | 67.9 | 0 | 0 | 109.9 | | |
| 221 | Q | 39.6 | Very low | 37.7 | Very low | 183 Ų | 183 | 152.1 Ų | 152.1 | 86% | 0.855 | 83% | 0.829 | S | S | * | * | | | trans | 60.4 | 80.9 | -176.2 | -66.2 | -178.9 | -104.9 | 0 | 0 | 115.9 | | |
| 222 | L | 35.4 | Very low | 38.1 | Very low | 175 Ų | 175 | 157.1 Ų | 157.1 | 92% | 0.916 | 84% | 0.839 | S | S | * | * | | | trans | -129 | 65.1 | 136 | -151.3 | 164.6 | 0 | 0 | 0 | 108.7 | | |
| 223 | V | 37.4 | Very low | 38.1 | Very low | 109 Ų | 109 | 155.3 Ų | 155.3 | 66% | 0.661 | 84% | 0.84 | S | S | * | * | | | trans | -123.2 | 137.4 | 160.6 | 167.8 | 0 | 0 | 0 | 0 | 104.6 | | |
| 224 | E | 39.7 | Very low | 38.2 | Very low | 178 Ų | 178 | 154.7 Ų | 154.7 | 83% | 0.832 | 83% | 0.833 | S | S | * | * | | | trans | 56.9 | 99.3 | -179.7 | -70.7 | 167.2 | 73.2 | 0 | 0 | 115.8 | | |
| 225 | E | 33.8 | Very low | 38.2 | Very low | 188 Ų | 188 | 158.7 Ų | 158.7 | 88% | 0.879 | 84% | 0.835 | S | S | * | * | | | | -163.2 | 121.2 | 96.7 | -91.8 | -148.2 | 94.4 | 0 | 0 | 110.7 | | |
| 226 | D | 36.3 | Very low | 38.4 | Very low | 160 Ų | 160 | 158.8 Ų | 158.8 | 86% | 0.856 | 84% | 0.836 | S | S | * | * | | | trans | -121.7 | 85.3 | 157.7 | 175.2 | 33.7 | 0 | 0 | 0 | 109 | | |
| 227 | R | 40.7 | Very low | 38 | Very low | 223 Ų | 223 | 156.5 Ų | 156.5 | 84% | 0.842 | 84% | 0.835 | S | S | * | * | | | trans | -158.6 | 122.3 | 146.2 | -125.1 | 173.5 | 175.4 | 130.7 | 0.5 | 113.3 | G229 | R227-G229 PolarHBondContact O-N 3.16Š|
| 228 | M | 33.7 | Very low | 37.9 | Very low | 193 Ų | 193 | 150.9 Ų | 150.9 | 95% | 0.951 | 83% | 0.832 | S | S | * | * | | | trans | -60.4 | 125.4 | 175.8 | -152.8 | 67.3 | 151.1 | 0 | 0 | 110.8 | | |
| 229 | G | 33.4 | Very low | 38.7 | Very low | 75 Ų | 75 | 149.1 Ų | 149.1 | 77% | 0.773 | 82% | 0.823 | S | S | * | * | | | trans | -74.8 | 165.1 | -162 | 0 | 0 | 0 | 0 | 0 | 117 | R227 | R227-G229 PolarHBondContact O-N 3.16Š|
| 230 | R | 34.6 | Very low | 38.9 | Very low | 226 Ų | 226 | 152.8 Ų | 152.8 | 85% | 0.853 | 83% | 0.826 | S | S | * | * | | | trans | -134 | 105.9 | 159 | 178.4 | 172 | -69.5 | -138 | -1.4 | 108.9 | | |
| 231 | A | 39.8 | Very low | 38.5 | Very low | 95 Ų | 95 | 147.5 Ų | 147.5 | 79% | 0.785 | 82% | 0.821 | S | S | * | * | | | trans | -84.8 | 124.7 | -175.9 | 0 | 0 | 0 | 0 | 0 | 112.4 | | |
| 232 | H | 41.1 | Very low | 38.5 | Very low | 178 Ų | 178 | 144.1 Ų | 144.1 | 82% | 0.824 | 82% | 0.818 | S | S | * | * | | | trans | -140.9 | 154.7 | 157.4 | -74.1 | -67 | 0 | 0 | 0 | 109.7 | | |
| 233 | S | 37.4 | Very low | 38.9 | Very low | 131 Ų | 131 | 143.3 Ų | 143.3 | 92% | 0.916 | 81% | 0.814 | S | S | * | * | | | trans | -90.2 | 151.7 | -165.1 | -175 | 0 | 0 | 0 | 0 | 113.8 | | |
| 234 | G | 34.3 | Very low | 38.9 | Very low | 68 Ų | 68 | 143.7 Ų | 143.7 | 70% | 0.701 | 82% | 0.821 | S | S | * | * | | | trans | 160.8 | 82.6 | 162.4 | 0 | 0 | 0 | 0 | 0 | 118.9 | | |
| 235 | H | 35 | Very low | 39 | Very low | 182 Ų | 182 | 145.8 Ų | 145.8 | 84% | 0.843 | 82% | 0.821 | S | S | * | * | | | trans | 50.4 | 131.6 | 143.7 | -156.1 | 80.1 | 0 | 0 | 0 | 122.2 | | |
| 236 | P | 46.4 | Very low | 39.1 | Very low | 113 Ų | 113 | 145.2 Ų | 145.2 | 73% | 0.734 | 82% | 0.818 | S | S | * | * | | | trans | -92.1 | 141.4 | 176.3 | 35.9 | -32.9 | 0 | 0 | 0 | 114.4 | | |
| 237 | G | 37.4 | Very low | 39.9 | Very low | 80 Ų | 80 | 142.4 Ų | 142.4 | 83% | 0.825 | 81% | 0.809 | S | S | * | * | | | trans | -151.2 | 152.9 | 174.3 | 0 | 0 | 0 | 0 | 0 | 112.3 | | |
| 238 | S | 41.2 | Very low | 39.8 | Very low | 116 Ų | 116 | 137.2 Ų | 137.2 | 81% | 0.811 | 81% | 0.806 | S | S | * | * | | | trans | -146.8 | 172.1 | -163.3 | -161.9 | 0 | 0 | 0 | 0 | 110.4 | | |
| 239 | P | 52.3 | Low | 39.9 | Very low | 110 Ų | 110 | 132.7 Ų | 132.7 | 71% | 0.714 | 79% | 0.794 | S | S | * | * | | | | -130.3 | -177.6 | -56 | 37.9 | -24.6 | 0 | 0 | 0 | 113.6 | | |
| 240 | R | 46.7 | Very low | 40.4 | Very low | 240 Ų | 240 | 138 Ų | 138 | 91% | 0.906 | 80% | 0.799 | S | S | * | * | | | trans | 75.7 | 117.3 | 147.8 | -166 | -178.8 | -169.2 | 160.7 | 3.7 | 119 | | |
| 241 | G | 31.4 | Very low | 40.4 | Very low | 75 Ų | 75 | 135.8 Ų | 135.8 | 77% | 0.773 | 80% | 0.803 | S | S | * | * | | | trans | -159.4 | 142.8 | 160.8 | 0 | 0 | 0 | 0 | 0 | 109.4 | | |
| 242 | S | 40.8 | Very low | 40.3 | Very low | 112 Ų | 112 | 136 Ų | 136 | 78% | 0.783 | 81% | 0.805 | S | S | * | * | | | trans | -133.1 | 163 | -170.4 | -58.4 | 0 | 0 | 0 | 0 | 113.1 | | |
| 243 | L | 43.2 | Very low | 40 | Very low | 158 Ų | 158 | 130.9 Ų | 130.9 | 83% | 0.827 | 80% | 0.8 | S | S | * | * | | | trans | 80.8 | 101.3 | 147.8 | -145.1 | 179.8 | 0 | 0 | 0 | 117.7 | | |
| 244 | S | 37.4 | Very low | 40.3 | Very low | 117 Ų | 117 | 131.3 Ų | 131.3 | 82% | 0.818 | 80% | 0.8 | S | S | * | * | | | trans | -156.2 | 160.7 | 134 | -165.8 | 0 | 0 | 0 | 0 | 110.8 | | |
| 245 | R | 42.4 | Very low | 40.4 | Very low | 222 Ų | 222 | 131.8 Ų | 131.8 | 84% | 0.838 | 80% | 0.804 | S | S | * | * | | | trans | -129.1 | 128.1 | 179.4 | -51.5 | 171.4 | -174.5 | -118.3 | 4.9 | 109.7 | | |
| 246 | H | 36.3 | Very low | 41.1 | Very low | 176 Ų | 176 | 129.5 Ų | 129.5 | 82% | 0.815 | 80% | 0.803 | S | S | * | * | | | | -176.4 | 146.9 | 125.2 | -130.3 | -101.6 | 0 | 0 | 0 | 112.7 | | |
| 247 | P | 51.8 | Low | 40.9 | Very low | 101 Ų | 101 | 132.7 Ų | 132.7 | 66% | 0.656 | 81% | 0.808 | S | S | * | * | | | trans | -93.3 | 155.9 | 164.6 | 36.1 | -34.3 | 0 | 0 | 0 | 112.5 | | |
| 248 | S | 39.1 | Very low | 41.2 | Very low | 113 Ų | 113 | 132.6 Ų | 132.6 | 79% | 0.79 | 81% | 0.807 | S | S | * | * | | | trans | 179.9 | 150.7 | 135.1 | -81.8 | 0 | 0 | 0 | 0 | 114.5 | | |
| 249 | S | 35.2 | Very low | 40.9 | Very low | 99 Ų | 99 | 130.9 Ų | 130.9 | 69% | 0.692 | 81% | 0.808 | S | S | * | * | | | trans | 58.1 | 97.9 | 149.6 | -59.1 | 0 | 0 | 0 | 0 | 122.2 | | |
| 250 | Q | 45 | Very low | 40.8 | Very low | 185 Ų | 185 | 135.5 Ų | 135.5 | 86% | 0.864 | 82% | 0.82 | S | S | * | * | | | | 39 | 119.3 | 111.7 | -60.6 | 178.9 | 79 | 0 | 0 | 119.8 | | |
| 251 | L | 34.9 | Very low | 40.7 | Very low | 181 Ų | 181 | 127.7 Ų | 127.7 | 95% | 0.948 | 81% | 0.814 | S | S | * | * | | | | -149.8 | 156.4 | 123.2 | -158.6 | 58 | 0 | 0 | 0 | 110.4 | | |
| 252 | A | 38 | Very low | 41 | Very low | 100 Ų | 100 | 130.7 Ų | 130.7 | 83% | 0.826 | 82% | 0.817 | S | S | * | * | | | trans | -95.5 | 152.9 | -174.6 | 0 | 0 | 0 | 0 | 0 | 113.3 | | |
| 253 | G | 34 | Very low | 41 | Very low | 70 Ų | 70 | 133.1 Ų | 133.1 | 72% | 0.722 | 82% | 0.816 | S | S | * | * | | | trans | -169.4 | 144.1 | 172.7 | 0 | 0 | 0 | 0 | 0 | 111.5 | | |
| 254 | P | 42.8 | Very low | 40.9 | Very low | 140 Ų | 140 | 132.9 Ų | 132.9 | 91% | 0.909 | 81% | 0.809 | S | S | * | * | | | trans | -97.3 | 140.9 | -173.2 | 36.3 | -33.1 | 0 | 0 | 0 | 113.3 | | |
| 255 | G | 37.3 | Very low | 41.5 | Very low | 77 Ų | 77 | 131.8 Ų | 131.8 | 79% | 0.794 | 80% | 0.799 | S | S | * | * | | | trans | 156.9 | 128.5 | 172.7 | 0 | 0 | 0 | 0 | 0 | 112.4 | | |
| 256 | V | 49.5 | Very low | 41.7 | Very low | 135 Ų | 135 | 130 Ų | 130 | 82% | 0.818 | 79% | 0.792 | S | S | * | * | | | trans | -61.2 | 168 | -172.3 | 74.7 | 0 | 0 | 0 | 0 | 115.6 | | |
| 257 | E | 43.1 | Very low | 42.5 | Very low | 180 Ų | 180 | 124.9 Ų | 124.9 | 84% | 0.841 | 77% | 0.771 | S | S | * | * | | | trans | 76.3 | 133 | 168.1 | -70.3 | -68.8 | 79.4 | 0 | 0 | 121 | | |
| 258 | G | 43 | Very low | 42.4 | Very low | 78 Ų | 78 | 128.1 Ų | 128.1 | 80% | 0.804 | 77% | 0.771 | S | S | * | * | | | trans | 74.1 | 98 | 146.1 | 0 | 0 | 0 | 0 | 0 | 120.4 | | |
| 259 | G | 34.8 | Very low | 43.3 | Very low | 80 Ų | 80 | 127.9 Ų | 127.9 | 83% | 0.825 | 76% | 0.76 | S | S | * | * | | | trans | 162 | 134.8 | 161.1 | 0 | 0 | 0 | 0 | 0 | 115.1 | | |
| 260 | E | 50.6 | Low | 44.4 | Very low | 207 Ų | 207 | 128 Ų | 128 | 97% | 0.967 | 75% | 0.752 | S | S | * | * | | | trans | -78.4 | 143.2 | 171.7 | -70 | 170.5 | 72.5 | 0 | 0 | 111 | | |
| 261 | G | 43.2 | Very low | 44.9 | Very low | 76 Ų | 76 | 124 Ų | 124 | 78% | 0.784 | 74% | 0.736 | S | S | * | * | S | Bend | trans | 163.5 | -21.9 | 174.4 | 0 | 0 | 0 | 0 | 0 | 117.4 | | |
| 262 | T | 39 | Very low | 46 | Very low | 137 Ų | 137 | 117.7 Ų | 117.7 | 84% | 0.84 | 71% | 0.71 | S | S | * | * | S | Bend | trans | -142 | 135.9 | 175.5 | 43.7 | 0 | 0 | 0 | 0 | 112 | K264 | T262-K264 PolarHBondContact O-N 3.22Š|
| 263 | Q | 41 | Very low | 47.1 | Very low | 163 Ų | 163 | 116.9 Ų | 116.9 | 76% | 0.762 | 69% | 0.69 | S | S | * | * | | | trans | -66.8 | 120.9 | 175.8 | -176.3 | 173.6 | -12.6 | 0 | 0 | 109.6 | D267 | Q263-D267 PolarHBondContact NE2-OD2 3.42Š|
| 264 | K | 40.3 | Very low | 48.2 | Very low | 154 Ų | 154 | 117.9 Ų | 117.9 | 67% | 0.67 | 68% | 0.679 | S | S | * | * | | | trans | -76.3 | 144 | -170.1 | -146.3 | 147.5 | -171.5 | 160 | 0 | 110.4 | T262 R266 | T262-K264 PolarHBondContact O-N 3.22Å; K264-R266 PolarHBondContact O-N 3.28Å |
| 265 | P | 49.4 | Very low | 49.2 | Very low | 94 Ų | 94 | 113 Ų | 113 | 61% | 0.61 | 65% | 0.648 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -68.4 | 32.1 | -170.9 | -23.8 | 36 | 0 | 0 | 0 | 118.1 | | |
| 266 | R | 46.8 | Very low | 50.4 | Low | 184 Ų | 184 | 113.4 Ų | 113.4 | 69% | 0.694 | 64% | 0.638 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -86 | -29.6 | -172.3 | -68 | -171.5 | 168.9 | -173.2 | -4.4 | 113.8 | K264 Y268 I269 I270 | K264-R266 PolarHBondContact O-N 3.28Å; R266-Y268 VanDerWaalsContact C-N 3.31Å; R266-Y268 PolarHBondContact O-N 3.14Å; R266-I269 PolarHBondContact O-N 3.24Å; R266-I270 PolarHBondContact O-N 2.65Å |
| 267 | D | 52.8 | Low | 50.9 | Low | 69 Ų | 69 | 108 Ų | 108 | 37% | 0.369 | 60% | 0.603 | S | S | . | * | H | α-helix | trans | -64 | -38.3 | -179 | -51.6 | -46 | 0 | 0 | 0 | 111.5 | Q263 I269 I270 L271 | Q263-D267 PolarHBondContact NE2-OD2 3.42Å; D267-I269 PolarHBondContact O-N 3.44Å; D267-I270 PolarHBondContact O-N 3.09Å; D267-L271 WeakPolarHBondContact O-CG 3.5Å; D267-L271 PolarHBondContact O-N 3.42Å |
| 268 | Y | 50.7 | Low | 51 | Low | 168 Ų | 168 | 102.5 Ų | 102.5 | 66% | 0.659 | 58% | 0.584 | S | S | * | * | H | α-helix | trans | -67 | -29.8 | 179.4 | -61.8 | -73.8 | 0 | 0 | 0 | 114.1 | R266 L271 A272 | R266-Y268 VanDerWaalsContact C-N 3.31Å; R266-Y268 PolarHBondContact O-N 3.14Å; Y268-L271 HydrophobicContact CD1-CD1 4.4Å; Y268-A272 VanDerWaalsContact O-CB 3.29Å; Y268-A272 WeakPolarHBondContact O-CB 3.33Å; Y268-A272 PolarHBondContact O-N 3.01Å |
| 269 | I | 58.8 | Low | 51.2 | Low | 108 Ų | 108 | 103.1 Ų | 103.1 | 55% | 0.554 | 57% | 0.574 | S | S | * | * | H | α-helix | trans | -72.4 | -38.6 | 176.1 | -60.8 | 177 | 0 | 0 | 0 | 109.9 | R266 D267 A272 I273 | R266-I269 PolarHBondContact O-N 3.24Å; D267-I269 PolarHBondContact O-N 3.44Å; I269-A272 PolarHBondContact O-N 3.24Å; I269-I273 HydrophobicContact CG2-CD1 4.11Å; I269-I273 VanDerWaalsContact O-CG1 3.3Å; I269-I273 WeakPolarHBondContact O-CG1 3.39Å; I269-I273 PolarHBondContact O-N 3.25Å |
| 270 | I | 57.1 | Low | 52 | Low | 102 Ų | 102 | 104.6 Ų | 104.6 | 52% | 0.523 | 56% | 0.561 | S | S | . | * | H | α-helix | trans | -65.8 | -42.9 | 174.8 | -60.5 | 169.1 | 0 | 0 | 0 | 109.9 | R266 D267 A272 I273 L274 | R266-I270 PolarHBondContact O-N 2.65Å; D267-I270 PolarHBondContact O-N 3.09Å; I270-A272 PolarHBondContact O-N 3.5Å; I270-I273 PolarHBondContact O-N 3.45Å; I270-L274 HydrophobicContact CG2-CD1 4.14Å; I270-L274 WeakPolarHBondContact O-CB 3.46Å; I270-L274 VanDerWaalsContact O-CG 3.29Å; I270-L274 WeakPolarHBondContact O-CG 3.44Å; I270-L274 PolarHBondContact O-N 3.07Å |
| 271 | L | 55.3 | Low | 52.1 | Low | 101 Ų | 101 | 103.3 Ų | 103.3 | 53% | 0.529 | 55% | 0.547 | S | S | . | . | H | α-helix | trans | -63 | -37 | 173.1 | -71.2 | 166 | 0 | 0 | 0 | 112.9 | D267 Y268 L274 S275 | D267-L271 WeakPolarHBondContact O-CG 3.5Å; D267-L271 PolarHBondContact O-N 3.42Å; Y268-L271 HydrophobicContact CD1-CD1 4.4Å; L271-L274 HydrophobicContact CD2-CD1 4.47Å; L271-L274 PolarHBondContact O-N 3.35Å; L271-S275 WeakPolarHBondContact O-CB 3.41Å; L271-S275 PolarHBondContact O-N 3.35Å |
| 272 | A | 58.8 | Low | 52.8 | Low | 49 Ų | 49 | 103.3 Ų | 103.3 | 41% | 0.405 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -67 | -43.5 | 174.8 | 0 | 0 | 0 | 0 | 0 | 111.6 | Y268 I269 I270 L274 S275 C276 | Y268-A272 VanDerWaalsContact O-CB 3.29Å; Y268-A272 WeakPolarHBondContact O-CB 3.33Å; Y268-A272 PolarHBondContact O-N 3.01Å; I269-A272 PolarHBondContact O-N 3.24Å; I270-A272 PolarHBondContact O-N 3.5Å; A272-L274 VanDerWaalsContact C-N 3.33Å; A272-L274 PolarHBondContact O-N 2.82Å; A272-S275 CarbonylContact O-C 3.51Å; A272-S275 PolarHBondContact O-N 2.84Å; A272-S275 VanDerWaalsContact O-N 3.09Å; A272-C276 WeakPolarHBondContact O-CB 3.4Å; A272-C276 PolarHBondContact O-N 3.26Å; A272-C276 PolarHBondContact O-SG 3.31Å |
| 273 | I | 60.6 | Low | 53.6 | Low | 82 Ų | 82 | 100.6 Ų | 100.6 | 42% | 0.421 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -60.3 | -44.1 | 174 | -67.5 | 162.3 | 0 | 0 | 0 | 110.5 | I269 I270 S275 C276 F277 I328 | I269-I273 HydrophobicContact CG2-CD1 4.11Å; I269-I273 VanDerWaalsContact O-CG1 3.3Å; I269-I273 WeakPolarHBondContact O-CG1 3.39Å; I269-I273 PolarHBondContact O-N 3.25Å; I270-I273 PolarHBondContact O-N 3.45Å; I273-S275 VanDerWaalsContact C-N 3.3Å; I273-S275 PolarHBondContact O-N 3.05Å; I273-C276 PolarHBondContact O-N 3.06Å; I273-F277 HydrophobicContact CG2-CE2 4.47Å; I273-F277 HydrophobicContact CG2-CZ 4Å; I273-F277 WeakPolarHBondContact O-CD2 3.45Å; I273-F277 WeakPolarHBondContact O-CE2 3.46Å; I273-I328 HydrophobicContact CG2-CD1 4.19Å |
| 274 | L | 56.9 | Low | 54.4 | Low | 91 Ų | 91 | 95.9 Ų | 95.9 | 48% | 0.476 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -60.3 | -37.1 | 172.9 | -71.9 | 162.9 | 0 | 0 | 0 | 112.6 | I270 L271 A272 F277 | I270-L274 HydrophobicContact CG2-CD1 4.14Å; I270-L274 WeakPolarHBondContact O-CB 3.46Å; I270-L274 VanDerWaalsContact O-CG 3.29Å; I270-L274 WeakPolarHBondContact O-CG 3.44Å; I270-L274 PolarHBondContact O-N 3.07Å; L271-L274 HydrophobicContact CD2-CD1 4.47Å; L271-L274 PolarHBondContact O-N 3.35Å; A272-L274 VanDerWaalsContact C-N 3.33Å; A272-L274 PolarHBondContact O-N 2.82Å; L274-F277 HydrophobicContact CD2-CE2 4.15Å; L274-F277 WeakPolarHBondContact O-CD2 3.39Å |
| 275 | S | 64.9 | Low | 55.2 | Low | 37 Ų | 37 | 92.3 Ų | 92.3 | 26% | 0.259 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -76.5 | -22.2 | 177.1 | -171.3 | 0 | 0 | 0 | 0 | 113.8 | L271 A272 I273 F277 | L271-S275 WeakPolarHBondContact O-CB 3.41Å; L271-S275 PolarHBondContact O-N 3.35Å; A272-S275 CarbonylContact O-C 3.51Å; A272-S275 PolarHBondContact O-N 2.84Å; A272-S275 VanDerWaalsContact O-N 3.09Å; I273-S275 VanDerWaalsContact C-N 3.3Å; I273-S275 PolarHBondContact O-N 3.05Å; S275-F277 VanDerWaalsContact C-N 3.35Å |
| 276 | C | 61.7 | Low | 55.7 | Low | 87 Ų | 87 | 92.8 Ų | 92.8 | 59% | 0.588 | 49% | 0.485 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -88.4 | 5.2 | -177.6 | -74.9 | 0 | 0 | 0 | 0 | 113.9 | A272 I273 C278 | A272-C276 WeakPolarHBondContact O-CB 3.4Å; A272-C276 PolarHBondContact O-N 3.26Å; A272-C276 PolarHBondContact O-SG 3.31Å; I273-C276 PolarHBondContact O-N 3.06Å; C276-C278 PolarHBondContact O-N 3.48Å |
| 277 | F | 60.8 | Low | 56.2 | Low | 20 Ų | 20 | 86.8 Ų | 86.8 | 9% | 0.088 | 48% | 0.475 | C | S | . | . | | | trans | -71.4 | 32.3 | 169.5 | -64.2 | -53.4 | 0 | 0 | 0 | 114 | I273 L274 S275 N284 G324 I328 | I273-F277 HydrophobicContact CG2-CE2 4.47Å; I273-F277 HydrophobicContact CG2-CZ 4Å; I273-F277 WeakPolarHBondContact O-CD2 3.45Å; I273-F277 WeakPolarHBondContact O-CE2 3.46Å; L274-F277 HydrophobicContact CD2-CE2 4.15Å; L274-F277 WeakPolarHBondContact O-CD2 3.39Å; S275-F277 VanDerWaalsContact C-N 3.35Å; F277-N284 PolarHBondContact O-ND2 3.06Å; F277-G324 WeakPolarHBondContact CD1-O 3.5Å; F277-G324 VanDerWaalsContact CE1-CA 3.46Å; F277-G324 WeakPolarHBondContact CE1-O 3.48Å; F277-I328 HydrophobicContact CD1-CB 4.45Å; F277-I328 HydrophobicContact CD1-CD1 3.71Å; F277-I328 HydrophobicContact CD1-CG1 3.63Å; F277-I328 HydrophobicContact CE1-CB 3.99Å; F277-I328 HydrophobicContact CE1-CD1 3.28Å; F277-I328 HydrophobicContact CE1-CG1 3.47Å; F277-I328 VanDerWaalsContact CE1-CG1 3.47Å; F277-I328 HydrophobicContact CZ-CD1 4.06Å |
| 278 | C | 45.6 | Very low | 56.5 | Low | 66 Ų | 66 | 88.4 Ų | 88.4 | 45% | 0.446 | 48% | 0.479 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -84.4 | 101.7 | 172.2 | -80.8 | 0 | 0 | 0 | 0 | 110 | C276 | C276-C278 PolarHBondContact O-N 3.48Š|
| 279 | P | 45.7 | Very low | 56.8 | Low | 90 Ų | 90 | 83 Ų | 83 | 58% | 0.584 | 47% | 0.469 | S | S | * | . | T | Hydrogen-bonded Turn | | -122 | -11 | 112.9 | 35.2 | -34.2 | 0 | 0 | 0 | 113.5 | | |
| 280 | M | 52 | Low | 56.6 | Low | 112 Ų | 112 | 85.7 Ų | 85.7 | 55% | 0.552 | 47% | 0.473 | S | S | * | . | | | trans | -125.1 | 68.3 | -173.3 | -71.8 | -71.9 | -87.9 | 0 | 0 | 112 | P282 V283 N284 | M280-P282 VanDerWaalsContact C-CD 3.45Å; M280-V283 HydrophobicContact CB-CB 4.12Å; M280-V283 HydrophobicContact CB-CG2 3.9Å; M280-V283 HydrophobicContact CE-CG2 4.01Å; M280-V283 PolarHBondContact O-N 2.8Å; M280-N284 PolarHBondContact O-N 3.22Å |
| 281 | W | 53.1 | Low | 56.3 | Low | 180 Ų | 180 | 82.9 Ų | 82.9 | 68% | 0.682 | 47% | 0.465 | S | S | * | . | H | α-helix | trans | -40.4 | -49 | 177.2 | -173.7 | 52.5 | 0 | 0 | 0 | 115.4 | V283 I285 | W281-V283 PolarHBondContact O-N 3.47Å; W281-I285 HydrophobicContact CD2-CD1 4.31Å; W281-I285 HydrophobicContact CG-CD1 4.44Å; W281-I285 HydrophobicContact CZ2-CD1 4.42Å; W281-I285 WeakPolarHBondContact O-CG1 3.25Å; W281-I285 PolarHBondContact O-N 3.34Å |
| 282 | P | 56.9 | Low | 56.2 | Low | 76 Ų | 76 | 81.1 Ų | 81.1 | 49% | 0.494 | 46% | 0.459 | S | S | . | . | H | α-helix | trans | -67.2 | -30.8 | 179.8 | 25.8 | -35.6 | 0 | 0 | 0 | 114.2 | M280 I285 V286 | M280-P282 VanDerWaalsContact C-CD 3.45Å; P282-I285 PolarHBondContact O-N 3Å; P282-V286 WeakPolarHBondContact O-CG2 3.36Å; P282-V286 PolarHBondContact O-N 2.99Å |
| 283 | V | 57.5 | Low | 55.9 | Low | 80 Ų | 80 | 85.8 Ų | 85.8 | 49% | 0.485 | 47% | 0.474 | S | S | . | . | H | α-helix | trans | -68.6 | -40.9 | -177.2 | 178.6 | 0 | 0 | 0 | 0 | 110.7 | M280 W281 I285 V286 A287 | M280-V283 HydrophobicContact CB-CB 4.12Å; M280-V283 HydrophobicContact CB-CG2 3.9Å; M280-V283 HydrophobicContact CE-CG2 4.01Å; M280-V283 PolarHBondContact O-N 2.8Å; W281-V283 PolarHBondContact O-N 3.47Å; V283-I285 VanDerWaalsContact C-N 3.33Å; V283-I285 PolarHBondContact O-N 2.9Å; V283-V286 PolarHBondContact O-N 3.44Å; V283-A287 WeakPolarHBondContact O-CB 3.48Å; V283-A287 PolarHBondContact O-N 2.81Å |
| 284 | N | 56.1 | Low | 55.1 | Low | 64 Ų | 64 | 82.9 Ų | 82.9 | 34% | 0.342 | 46% | 0.461 | S | S | . | . | H | α-helix | trans | -65.1 | -37.2 | 176.4 | -65.7 | -17.7 | 0 | 0 | 0 | 111.6 | F277 M280 F288 | F277-N284 PolarHBondContact O-ND2 3.06Å; M280-N284 PolarHBondContact O-N 3.22Å; N284-F288 WeakPolarHBondContact O-CB 3.31Å; N284-F288 PolarHBondContact O-N 3.04Å |
| 285 | I | 58.8 | Low | 54.9 | Low | 79 Ų | 79 | 86.9 Ų | 86.9 | 41% | 0.405 | 47% | 0.47 | S | S | . | . | H | α-helix | trans | -65.5 | -44.3 | 176.4 | -65.8 | 169.9 | 0 | 0 | 0 | 110.9 | W281 P282 V283 F288 A289 | W281-I285 HydrophobicContact CD2-CD1 4.31Å; W281-I285 HydrophobicContact CG-CD1 4.44Å; W281-I285 HydrophobicContact CZ2-CD1 4.42Å; W281-I285 WeakPolarHBondContact O-CG1 3.25Å; W281-I285 PolarHBondContact O-N 3.34Å; P282-I285 PolarHBondContact O-N 3Å; V283-I285 VanDerWaalsContact C-N 3.33Å; V283-I285 PolarHBondContact O-N 2.9Å; I285-F288 PolarHBondContact O-N 3.42Å; I285-A289 VanDerWaalsContact O-CB 3.31Å; I285-A289 WeakPolarHBondContact O-CB 3.37Å; I285-A289 PolarHBondContact O-N 3.35Å |
| 286 | V | 59.2 | Low | 54 | Low | 103 Ų | 103 | 91.1 Ų | 91.1 | 62% | 0.624 | 49% | 0.489 | S | S | * | . | H | α-helix | trans | -65.6 | -44.2 | 177.8 | 173.3 | 0 | 0 | 0 | 0 | 111.6 | P282 V283 F288 A289 Y290 | P282-V286 WeakPolarHBondContact O-CG2 3.36Å; P282-V286 PolarHBondContact O-N 2.99Å; V283-V286 PolarHBondContact O-N 3.44Å; V286-F288 VanDerWaalsContact C-N 3.33Å; V286-F288 PolarHBondContact O-N 2.87Å; V286-A289 PolarHBondContact O-N 2.95Å; V286-Y290 PolarHBondContact O-N 2.98Å |
| 287 | A | 56 | Low | 53.3 | Low | 59 Ų | 59 | 90.4 Ų | 90.4 | 49% | 0.488 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -61.5 | -41.4 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112 | V283 A291 | V283-A287 WeakPolarHBondContact O-CB 3.48Å; V283-A287 PolarHBondContact O-N 2.81Å; A287-A291 WeakPolarHBondContact O-CB 3.3Å; A287-A291 PolarHBondContact O-N 2.93Å |
| 288 | F | 59.2 | Low | 52.6 | Low | 102 Ų | 102 | 92.6 Ų | 92.6 | 45% | 0.447 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -67.7 | -43.7 | 176.3 | -177.3 | -121.2 | 0 | 0 | 0 | 112.3 | N284 I285 V286 Y290 A291 V292 L377 | N284-F288 WeakPolarHBondContact O-CB 3.31Å; N284-F288 PolarHBondContact O-N 3.04Å; I285-F288 PolarHBondContact O-N 3.42Å; V286-F288 VanDerWaalsContact C-N 3.33Å; V286-F288 PolarHBondContact O-N 2.87Å; F288-Y290 VanDerWaalsContact C-N 3.33Å; F288-Y290 PolarHBondContact O-N 2.89Å; F288-A291 PolarHBondContact O-N 2.92Å; F288-V292 HydrophobicContact CD2-CG2 4.34Å; F288-V292 HydrophobicContact CE1-CG2 4.4Å; F288-V292 HydrophobicContact CE2-CG2 4.08Å; F288-V292 HydrophobicContact CZ-CG2 4.12Å; F288-V292 WeakPolarHBondContact O-CG2 3.43Å; F288-V292 PolarHBondContact O-N 2.72Å; F288-L377 HydrophobicContact CD1-CD2 4.4Å; F288-L377 HydrophobicContact CE1-CD1 4.38Å; F288-L377 HydrophobicContact CE1-CD2 3.34Å; F288-L377 HydrophobicContact CE1-CG 4.49Å; F288-L377 HydrophobicContact CZ-CD2 3.54Å |
| 289 | A | 58.5 | Low | 52.7 | Low | 55 Ų | 55 | 97.6 Ų | 97.6 | 46% | 0.455 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -59.6 | -41.9 | 175.8 | 0 | 0 | 0 | 0 | 0 | 112 | I285 V286 V292 M293 | I285-A289 VanDerWaalsContact O-CB 3.31Å; I285-A289 WeakPolarHBondContact O-CB 3.37Å; I285-A289 PolarHBondContact O-N 3.35Å; V286-A289 PolarHBondContact O-N 2.95Å; A289-V292 PolarHBondContact O-N 3.4Å; A289-M293 WeakPolarHBondContact O-CB 3.25Å; A289-M293 PolarHBondContact O-N 3.18Å |
| 290 | Y | 53.4 | Low | 52.6 | Low | 164 Ų | 164 | 101.6 Ų | 101.6 | 64% | 0.643 | 53% | 0.525 | S | S | * | . | H | α-helix | trans | -65.9 | -40.4 | 175.5 | -160.2 | -100.3 | 0 | 0 | 0 | 112 | V286 F288 V292 M293 S294 L316 | V286-Y290 PolarHBondContact O-N 2.98Å; F288-Y290 VanDerWaalsContact C-N 3.33Å; F288-Y290 PolarHBondContact O-N 2.89Å; Y290-V292 VanDerWaalsContact C-N 3.34Å; Y290-V292 PolarHBondContact O-N 3.31Å; Y290-M293 PolarHBondContact O-N 3.12Å; Y290-S294 VanDerWaalsContact O-CB 3.25Å; Y290-S294 WeakPolarHBondContact O-CB 3.44Å; Y290-S294 PolarHBondContact O-N 3.27Å; Y290-L316 HydrophobicContact CE1-CD1 4.48Å |
| 291 | A | 51.9 | Low | 52.9 | Low | 43 Ų | 43 | 99.7 Ų | 99.7 | 36% | 0.355 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -66.3 | -31.4 | 175.4 | 0 | 0 | 0 | 0 | 0 | 113.6 | A287 F288 R295 | A287-A291 WeakPolarHBondContact O-CB 3.3Å; A287-A291 PolarHBondContact O-N 2.93Å; F288-A291 PolarHBondContact O-N 2.92Å; A291-R295 WeakPolarHBondContact O-CG 3.34Å |
| 292 | V | 53.6 | Low | 52.8 | Low | 65 Ų | 65 | 96.3 Ų | 96.3 | 39% | 0.394 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -75.8 | -47.3 | 173.9 | 170.7 | 0 | 0 | 0 | 0 | 110.9 | F288 A289 Y290 S294 R295 L377 | F288-V292 HydrophobicContact CD2-CG2 4.34Å; F288-V292 HydrophobicContact CE1-CG2 4.4Å; F288-V292 HydrophobicContact CE2-CG2 4.08Å; F288-V292 HydrophobicContact CZ-CG2 4.12Å; F288-V292 WeakPolarHBondContact O-CG2 3.43Å; F288-V292 PolarHBondContact O-N 2.72Å; A289-V292 PolarHBondContact O-N 3.4Å; Y290-V292 VanDerWaalsContact C-N 3.34Å; Y290-V292 PolarHBondContact O-N 3.31Å; V292-S294 VanDerWaalsContact C-N 3.29Å; V292-S294 PolarHBondContact O-N 3.46Å; V292-R295 WeakPolarHBondContact O-CB 3.36Å; V292-R295 PolarHBondContact O-N 2.94Å; V292-L377 HydrophobicContact CG2-CD2 4.01Å |
| 293 | M | 52.3 | Low | 52.8 | Low | 146 Ų | 146 | 98 Ų | 98 | 72% | 0.719 | 54% | 0.538 | S | S | * | . | H | α-helix | trans | -60.8 | -38.5 | 178 | -171.7 | 173.7 | -83 | 0 | 0 | 111.6 | A289 Y290 R295 N296 | A289-M293 WeakPolarHBondContact O-CB 3.25Å; A289-M293 PolarHBondContact O-N 3.18Å; Y290-M293 PolarHBondContact O-N 3.12Å; M293-R295 PolarHBondContact O-N 2.83Å; M293-R295 VanDerWaalsContact O-N 3.12Å; M293-N296 PolarHBondContact O-N 2.98Å |
| 294 | S | 43.1 | Very low | 53.1 | Low | 22 Ų | 22 | 100.2 Ų | 100.2 | 15% | 0.154 | 55% | 0.548 | C | S | . | . | H | α-helix | trans | -59.7 | -18.1 | 173.1 | -179.8 | 0 | 0 | 0 | 0 | 114.6 | Y290 V292 | Y290-S294 VanDerWaalsContact O-CB 3.25Å; Y290-S294 WeakPolarHBondContact O-CB 3.44Å; Y290-S294 PolarHBondContact O-N 3.27Å; V292-S294 VanDerWaalsContact C-N 3.29Å; V292-S294 PolarHBondContact O-N 3.46Å |
| 295 | R | 51.9 | Low | 53.1 | Low | 175 Ų | 175 | 99 Ų | 99 | 66% | 0.66 | 55% | 0.55 | S | S | * | * | H | α-helix | trans | -92 | -21.3 | 178.4 | -70.2 | 176.9 | 178.3 | -165.1 | -0.9 | 113.4 | A291 V292 M293 | A291-R295 WeakPolarHBondContact O-CG 3.34Å; V292-R295 WeakPolarHBondContact O-CB 3.36Å; V292-R295 PolarHBondContact O-N 2.94Å; M293-R295 PolarHBondContact O-N 2.83Å; M293-R295 VanDerWaalsContact O-N 3.12Å |
| 296 | N | 46.2 | Very low | 52.9 | Low | 125 Ų | 125 | 96.8 Ų | 96.8 | 67% | 0.668 | 54% | 0.544 | S | S | * | . | H | α-helix | trans | -72.9 | -33.1 | -177 | -159.2 | 25 | 0 | 0 | 0 | 112.4 | M293 L298 Q299 | M293-N296 PolarHBondContact O-N 2.98Å; N296-L298 PolarHBondContact O-N 3.33Å; N296-Q299 PolarHBondContact O-N 3.48Å |
| 297 | S | 47.1 | Very low | 53 | Low | 72 Ų | 72 | 97.6 Ų | 97.6 | 50% | 0.503 | 54% | 0.541 | S | S | . | . | G | 310 helix | trans | -66.2 | -6.6 | 178.5 | -167.7 | 0 | 0 | 0 | 0 | 114.8 | | |
| 298 | L | 46.9 | Very low | 53.3 | Low | 67 Ų | 67 | 104.4 Ų | 104.4 | 35% | 0.351 | 55% | 0.554 | S | S | . | * | G | 310 helix | trans | -81.4 | -8.1 | -178.9 | -69.5 | 174.5 | 0 | 0 | 0 | 114.3 | N296 A306 L309 | N296-L298 PolarHBondContact O-N 3.33Å; L298-A306 HydrophobicContact CD2-CB 3.97Å; L298-L309 HydrophobicContact CD2-CB 3.95Å; L298-L309 HydrophobicContact CD2-CD2 4.12Å; L298-L309 HydrophobicContact CG-CD2 4.37Å |
| 299 | Q | 47 | Very low | 53.2 | Low | 171 Ų | 171 | 102.3 Ų | 102.3 | 80% | 0.799 | 55% | 0.547 | S | S | * | . | G | 310 helix | trans | -102.3 | 8.7 | -176.1 | -61.6 | -161.5 | 29.9 | 0 | 0 | 114.9 | N296 G301 | N296-Q299 PolarHBondContact O-N 3.48Å; Q299-G301 PolarHBondContact O-N 3.05Å |
| 300 | Q | 44.9 | Very low | 53.4 | Low | 173 Ų | 173 | 101.2 Ų | 101.2 | 81% | 0.808 | 54% | 0.542 | S | S | * | . | S | Bend | trans | -83.6 | 19.2 | 179.7 | -72.6 | -174 | -18 | 0 | 0 | 115.1 | D302 | Q300-D302 PolarHBondContact O-N 2.97Š|
| 301 | G | 56.7 | Low | 54.4 | Low | 73 Ų | 73 | 101.2 Ų | 101.2 | 75% | 0.753 | 54% | 0.54 | S | S | * | . | S | Bend | trans | 83.2 | -7.1 | 162.2 | 0 | 0 | 0 | 0 | 0 | 117.7 | Q299 | Q299-G301 PolarHBondContact O-N 3.05Š|
| 302 | D | 51.8 | Low | 54.9 | Low | 108 Ų | 108 | 102.6 Ų | 102.6 | 58% | 0.578 | 54% | 0.544 | S | S | * | . | | | trans | -95.4 | 111.2 | 170.9 | -172.7 | -10.1 | 0 | 0 | 0 | 111.2 | Q300 D304 A306 | Q300-D302 PolarHBondContact O-N 2.97Å; D302-D304 PolarHBondContact OD1-N 2.91Å; D302-A306 PolarHBondContact O-N 3.05Å |
| 303 | V | 56.8 | Low | 55.5 | Low | 111 Ų | 111 | 100.9 Ų | 100.9 | 67% | 0.673 | 54% | 0.537 | S | S | * | . | H | α-helix | trans | -72.8 | -23.9 | -176.4 | -69.2 | 0 | 0 | 0 | 0 | 113.6 | A306 | V303-A306 PolarHBondContact O-N 2.92Å |
| 304 | D | 63.9 | Low | 56.2 | Low | 127 Ų | 127 | 101.1 Ų | 101.1 | 68% | 0.679 | 53% | 0.534 | S | S | * | . | H | α-helix | trans | -77.3 | -33.5 | 178.9 | -84.8 | -86.4 | 0 | 0 | 0 | 111.7 | D302 A306 | D302-D304 PolarHBondContact OD1-N 2.91Å; D304-A306 VanDerWaalsContact C-N 3.34Å |
| 305 | G | 56.3 | Low | 57.1 | Low | 39 Ų | 39 | 105.2 Ų | 105.2 | 40% | 0.402 | 55% | 0.553 | S | S | . | * | H | α-helix | trans | -62.2 | -41.1 | 167.6 | 0 | 0 | 0 | 0 | 0 | 112.5 | Q307 R308 L309 | G305-Q307 PolarHBondContact O-N 3.35Å; G305-R308 PolarHBondContact O-N 3.18Å; G305-L309 PolarHBondContact O-N 3.41Å; G305-L309 VanDerWaalsContact O-N 3.16Å |
| 306 | A | 54.4 | Low | 57.8 | Low | 32 Ų | 32 | 99.9 Ų | 99.9 | 26% | 0.264 | 54% | 0.538 | S | S | . | . | H | α-helix | trans | -61.9 | -41 | -174.8 | 0 | 0 | 0 | 0 | 0 | 113.6 | L298 D302 V303 D304 R308 G310 | L298-A306 HydrophobicContact CD2-CB 3.97Å; D302-A306 PolarHBondContact O-N 3.05Å; V303-A306 PolarHBondContact O-N 2.92Å; D304-A306 VanDerWaalsContact C-N 3.34Å; A306-R308 PolarHBondContact O-N 2.89Å; A306-G310 PolarHBondContact O-N 3.46Å |
| 307 | Q | 61.8 | Low | 58.9 | Low | 121 Ų | 121 | 97.3 Ų | 97.3 | 57% | 0.565 | 53% | 0.529 | S | S | * | . | H | α-helix | trans | -62.3 | -39.2 | 176.7 | -91.8 | -118.9 | 13.5 | 0 | 0 | 113 | G305 R311 | G305-Q307 PolarHBondContact O-N 3.35Å; Q307-R311 WeakPolarHBondContact O-CG 3.3Å; Q307-R311 PolarHBondContact O-N 3.48Å |
| 308 | R | 60.9 | Low | 60 | Low | 201 Ų | 201 | 98.1 Ų | 98.1 | 76% | 0.758 | 53% | 0.527 | S | S | * | . | H | α-helix | trans | -70.2 | -46.8 | -179.3 | -72.5 | -176.6 | 171.1 | -92.4 | -0.5 | 111.1 | G305 A306 G310 R311 V312 | G305-R308 PolarHBondContact O-N 3.18Å; A306-R308 PolarHBondContact O-N 2.89Å; R308-G310 VanDerWaalsContact C-N 3.32Å; R308-G310 PolarHBondContact O-N 3.35Å; R308-R311 PolarHBondContact O-N 3Å; R308-V312 PolarHBondContact O-N 3.42Å |
| 309 | L | 57.7 | Low | 61.1 | Low | 58 Ų | 58 | 99.6 Ų | 99.6 | 30% | 0.304 | 54% | 0.539 | S | S | . | . | H | α-helix | trans | -67.9 | -32.7 | 178.6 | -152.1 | 72.6 | 0 | 0 | 0 | 111.7 | L298 G305 R311 V312 A313 | L298-L309 HydrophobicContact CD2-CB 3.95Å; L298-L309 HydrophobicContact CD2-CD2 4.12Å; L298-L309 HydrophobicContact CG-CD2 4.37Å; G305-L309 PolarHBondContact O-N 3.41Å; G305-L309 VanDerWaalsContact O-N 3.16Å; L309-R311 PolarHBondContact O-N 2.87Å; L309-V312 PolarHBondContact O-N 2.93Å; L309-A313 WeakPolarHBondContact O-CB 3.29Å; L309-A313 PolarHBondContact O-N 3.31Å |
| 310 | G | 63.8 | Low | 62 | Low | 33 Ų | 33 | 94.6 Ų | 94.6 | 34% | 0.34 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -61.6 | -37.1 | 172.4 | 0 | 0 | 0 | 0 | 0 | 114.2 | A306 R308 A313 K314 | A306-G310 PolarHBondContact O-N 3.46Å; R308-G310 VanDerWaalsContact C-N 3.32Å; R308-G310 PolarHBondContact O-N 3.35Å; G310-A313 PolarHBondContact O-N 3.5Å; G310-K314 PolarHBondContact O-N 2.83Å |
| 311 | R | 73 | Confident | 63 | Low | 164 Ų | 164 | 91.4 Ų | 91.4 | 62% | 0.619 | 51% | 0.514 | S | S | * | . | H | α-helix | trans | -68.2 | -40.4 | 174 | -66.7 | 173.1 | -160.3 | -161.2 | 5.6 | 111.5 | Q307 R308 L309 K314 L315 | Q307-R311 WeakPolarHBondContact O-CG 3.3Å; Q307-R311 PolarHBondContact O-N 3.48Å; R308-R311 PolarHBondContact O-N 3Å; L309-R311 PolarHBondContact O-N 2.87Å; R311-K314 PolarHBondContact O-N 2.86Å; R311-L315 PolarHBondContact O-N 2.98Å |
| 312 | V | 63.8 | Low | 63.9 | Low | 72 Ų | 72 | 91.4 Ų | 91.4 | 44% | 0.436 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -64.9 | -43.8 | 174.1 | 177.4 | 0 | 0 | 0 | 0 | 111.1 | R308 L309 K314 L315 L316 | R308-V312 PolarHBondContact O-N 3.42Å; L309-V312 PolarHBondContact O-N 2.93Å; V312-K314 VanDerWaalsContact C-N 3.3Å; V312-K314 PolarHBondContact O-N 3.43Å; V312-L315 WeakPolarHBondContact O-CB 3.49Å; V312-L315 PolarHBondContact O-N 3.35Å; V312-L315 VanDerWaalsContact O-N 3.09Å; V312-L316 HydrophobicContact CG1-CD1 4.14Å; V312-L316 HydrophobicContact CG1-CG 4.34Å; V312-L316 WeakPolarHBondContact O-CG 3.35Å; V312-L316 PolarHBondContact O-N 3.36Å |
| 313 | A | 64.4 | Low | 65 | Low | 28 Ų | 28 | 87.9 Ų | 87.9 | 23% | 0.231 | 49% | 0.489 | C | S | . | . | H | α-helix | trans | -61.2 | -36.1 | 175.5 | 0 | 0 | 0 | 0 | 0 | 112.6 | L309 G310 S317 | L309-A313 WeakPolarHBondContact O-CB 3.29Å; L309-A313 PolarHBondContact O-N 3.31Å; G310-A313 PolarHBondContact O-N 3.5Å; A313-S317 WeakPolarHBondContact O-CB 3.29Å; A313-S317 PolarHBondContact O-N 3.42Å |
| 314 | K | 68.4 | Low | 65.7 | Low | 151 Ų | 151 | 83.1 Ų | 83.1 | 66% | 0.657 | 46% | 0.462 | S | S | * | . | H | α-helix | trans | -65.3 | -41.1 | 172.4 | -170.1 | -178.9 | 177.3 | 72.4 | 0 | 111.8 | G310 R311 V312 S317 I318 | G310-K314 PolarHBondContact O-N 2.83Å; R311-K314 PolarHBondContact O-N 2.86Å; V312-K314 VanDerWaalsContact C-N 3.3Å; V312-K314 PolarHBondContact O-N 3.43Å; K314-S317 PolarHBondContact O-N 2.95Å; K314-I318 HydrophobicContact CG-CD1 4.38Å; K314-I318 WeakPolarHBondContact O-CD1 2.93Å; K314-I318 WeakPolarHBondContact O-CG1 3.45Å; K314-I318 PolarHBondContact O-N 3.39Å; K314-I318 VanDerWaalsContact O-N 3.14Å |
| 315 | L | 62.3 | Low | 66.2 | Low | 108 Ų | 108 | 80 Ų | 80 | 57% | 0.565 | 45% | 0.448 | S | S | * | . | H | α-helix | trans | -64.9 | -46.8 | 174.3 | -71.4 | 168.7 | 0 | 0 | 0 | 111.8 | R311 V312 S317 I318 V319 | R311-L315 PolarHBondContact O-N 2.98Å; V312-L315 WeakPolarHBondContact O-CB 3.49Å; V312-L315 PolarHBondContact O-N 3.35Å; V312-L315 VanDerWaalsContact O-N 3.09Å; L315-S317 VanDerWaalsContact C-N 3.28Å; L315-S317 PolarHBondContact O-N 3.47Å; L315-I318 PolarHBondContact O-N 2.84Å; L315-V319 WeakPolarHBondContact O-CG2 3.4Å; L315-V319 PolarHBondContact O-N 3.19Å |
| 316 | L | 65.4 | Low | 67.2 | Low | 64 Ų | 64 | 83.1 Ų | 83.1 | 34% | 0.335 | 46% | 0.455 | S | S | . | . | H | α-helix | trans | -58.8 | -39.3 | 175.6 | -69.5 | 174 | 0 | 0 | 0 | 111.7 | Y290 V312 I318 V319 A320 | Y290-L316 HydrophobicContact CE1-CD1 4.48Å; V312-L316 HydrophobicContact CG1-CD1 4.14Å; V312-L316 HydrophobicContact CG1-CG 4.34Å; V312-L316 WeakPolarHBondContact O-CG 3.35Å; V312-L316 PolarHBondContact O-N 3.36Å; L316-I318 VanDerWaalsContact C-N 3.32Å; L316-I318 PolarHBondContact O-N 3.24Å; L316-V319 PolarHBondContact O-N 3.22Å; L316-A320 VanDerWaalsContact O-CB 3.3Å; L316-A320 WeakPolarHBondContact O-CB 3.5Å; L316-A320 PolarHBondContact O-N 3.22Å |
| 317 | S | 69.3 | Low | 68.2 | Low | 71 Ų | 71 | 86 Ų | 86 | 50% | 0.497 | 46% | 0.464 | S | S | . | . | H | α-helix | trans | -64.8 | -32.8 | 174.8 | -170.4 | 0 | 0 | 0 | 0 | 113.4 | A313 K314 L315 L321 | A313-S317 WeakPolarHBondContact O-CB 3.29Å; A313-S317 PolarHBondContact O-N 3.42Å; K314-S317 PolarHBondContact O-N 2.95Å; L315-S317 VanDerWaalsContact C-N 3.28Å; L315-S317 PolarHBondContact O-N 3.47Å; S317-L321 WeakPolarHBondContact O-CB 3.32Å; S317-L321 PolarHBondContact O-N 3.38Å |
| 318 | I | 69.7 | Low | 68.8 | Low | 89 Ų | 89 | 82.7 Ų | 82.7 | 46% | 0.456 | 45% | 0.45 | S | S | . | . | H | α-helix | trans | -76 | -44.4 | 176 | -67.8 | 162.7 | 0 | 0 | 0 | 110.1 | K314 L315 L316 A320 L321 V322 | K314-I318 HydrophobicContact CG-CD1 4.38Å; K314-I318 WeakPolarHBondContact O-CD1 2.93Å; K314-I318 WeakPolarHBondContact O-CG1 3.45Å; K314-I318 PolarHBondContact O-N 3.39Å; K314-I318 VanDerWaalsContact O-N 3.14Å; L315-I318 PolarHBondContact O-N 2.84Å; L316-I318 VanDerWaalsContact C-N 3.32Å; L316-I318 PolarHBondContact O-N 3.24Å; I318-A320 PolarHBondContact O-N 2.86Å; I318-L321 PolarHBondContact O-N 2.98Å; I318-V322 HydrophobicContact CG2-CG2 4.31Å; I318-V322 WeakPolarHBondContact O-CG2 3.34Å; I318-V322 PolarHBondContact O-N 2.92Å |
| 319 | V | 71.6 | Confident | 69.5 | Low | 98 Ų | 98 | 77.5 Ų | 77.5 | 59% | 0.594 | 44% | 0.437 | S | S | * | . | H | α-helix | trans | -62.7 | -40.9 | 178.2 | 172.1 | 0 | 0 | 0 | 0 | 111.3 | L315 L316 G323 | L315-V319 WeakPolarHBondContact O-CG2 3.4Å; L315-V319 PolarHBondContact O-N 3.19Å; L316-V319 PolarHBondContact O-N 3.22Å; V319-G323 WeakPolarHBondContact O-CA 3.47Å; V319-G323 PolarHBondContact O-N 3.42Å |
| 320 | A | 64.8 | Low | 70.3 | Confident | 65 Ų | 65 | 76.8 Ų | 76.8 | 54% | 0.537 | 44% | 0.439 | S | S | . | . | H | α-helix | trans | -62.7 | -41.8 | 174.4 | 0 | 0 | 0 | 0 | 0 | 112.4 | L316 I318 G324 | L316-A320 VanDerWaalsContact O-CB 3.3Å; L316-A320 WeakPolarHBondContact O-CB 3.5Å; L316-A320 PolarHBondContact O-N 3.22Å; I318-A320 PolarHBondContact O-N 2.86Å; A320-G324 PolarHBondContact O-N 3.16Å |
| 321 | L | 65.4 | Low | 70.6 | Confident | 106 Ų | 106 | 77.7 Ų | 77.7 | 56% | 0.555 | 44% | 0.44 | S | S | * | . | H | α-helix | trans | -67.5 | -47.2 | 178.7 | -174.7 | 151.6 | 0 | 0 | 0 | 111.8 | S317 I318 V325 | S317-L321 WeakPolarHBondContact O-CB 3.32Å; S317-L321 PolarHBondContact O-N 3.38Å; I318-L321 PolarHBondContact O-N 2.98Å; L321-V325 VanDerWaalsContact O-CG2 3.31Å; L321-V325 WeakPolarHBondContact O-CG2 3.46Å; L321-V325 PolarHBondContact O-N 3.33Å |
| 322 | V | 76.9 | Confident | 70.4 | Confident | 73 Ų | 73 | 73 Ų | 73 | 44% | 0.442 | 43% | 0.432 | S | S | . | . | H | α-helix | trans | -67.7 | -44.6 | 178.7 | 174 | 0 | 0 | 0 | 0 | 111.2 | I318 G324 V325 L326 | I318-V322 HydrophobicContact CG2-CG2 4.31Å; I318-V322 WeakPolarHBondContact O-CG2 3.34Å; I318-V322 PolarHBondContact O-N 2.92Å; V322-G324 PolarHBondContact O-N 3.05Å; V322-V325 PolarHBondContact O-N 2.96Å; V322-L326 HydrophobicContact CG1-CD1 4.01Å; V322-L326 HydrophobicContact CG1-CG 4.46Å; V322-L326 WeakPolarHBondContact O-CG 3.44Å; V322-L326 PolarHBondContact O-N 3.44Å |
| 323 | G | 73.8 | Confident | 71.1 | Confident | 34 Ų | 34 | 74.2 Ų | 74.2 | 35% | 0.351 | 44% | 0.439 | S | S | . | . | H | α-helix | trans | -60.4 | -44 | 177.4 | 0 | 0 | 0 | 0 | 0 | 112.3 | V319 I327 | V319-G323 WeakPolarHBondContact O-CA 3.47Å; V319-G323 PolarHBondContact O-N 3.42Å; G323-I327 WeakPolarHBondContact O-CG1 3.3Å; G323-I327 PolarHBondContact O-N 3.36Å |
| 324 | G | 71.9 | Confident | 71.6 | Confident | 11 Ų | 11 | 78.9 Ų | 78.9 | 11% | 0.113 | 46% | 0.459 | C | S | . | . | H | α-helix | trans | -57.5 | -57.2 | 171.9 | 0 | 0 | 0 | 0 | 0 | 111.9 | F277 A320 V322 L326 I327 I328 | F277-G324 WeakPolarHBondContact CD1-O 3.5Å; F277-G324 VanDerWaalsContact CE1-CA 3.46Å; F277-G324 WeakPolarHBondContact CE1-O 3.48Å; A320-G324 PolarHBondContact O-N 3.16Å; V322-G324 PolarHBondContact O-N 3.05Å; G324-L326 VanDerWaalsContact C-N 3.26Å; G324-L326 PolarHBondContact O-N 3.46Å; G324-I327 WeakPolarHBondContact O-CA 3.21Å; G324-I327 PolarHBondContact O-N 3.3Å; G324-I328 PolarHBondContact O-N 2.85Å |
| 325 | V | 74.9 | Confident | 71.5 | Confident | 62 Ų | 62 | 77.3 Ų | 77.3 | 38% | 0.376 | 46% | 0.457 | S | S | . | . | H | α-helix | trans | -55.3 | -40.6 | -177.4 | 168.7 | 0 | 0 | 0 | 0 | 112.1 | L321 V322 I327 I328 I329 | L321-V325 VanDerWaalsContact O-CG2 3.31Å; L321-V325 WeakPolarHBondContact O-CG2 3.46Å; L321-V325 PolarHBondContact O-N 3.33Å; V322-V325 PolarHBondContact O-N 2.96Å; V325-I327 PolarHBondContact O-N 2.98Å; V325-I328 PolarHBondContact O-N 3.36Å; V325-I329 HydrophobicContact CG1-CD1 3.77Å; V325-I329 HydrophobicContact CG1-CG1 4.49Å; V325-I329 VanDerWaalsContact O-CG1 3.32Å; V325-I329 WeakPolarHBondContact O-CG1 3.31Å; V325-I329 PolarHBondContact O-N 3.45Å |
| 326 | L | 77 | Confident | 71.5 | Confident | 105 Ų | 105 | 76 Ų | 76 | 55% | 0.55 | 45% | 0.451 | S | S | . | . | H | α-helix | trans | -62.6 | -38.1 | 174.7 | -72.8 | 171.3 | 0 | 0 | 0 | 112.9 | V322 G324 I329 A330 | V322-L326 HydrophobicContact CG1-CD1 4.01Å; V322-L326 HydrophobicContact CG1-CG 4.46Å; V322-L326 WeakPolarHBondContact O-CG 3.44Å; V322-L326 PolarHBondContact O-N 3.44Å; G324-L326 VanDerWaalsContact C-N 3.26Å; G324-L326 PolarHBondContact O-N 3.46Å; L326-I329 PolarHBondContact O-N 3.33Å; L326-A330 VanDerWaalsContact O-CB 3.3Å; L326-A330 WeakPolarHBondContact O-CB 3.36Å; L326-A330 PolarHBondContact O-N 2.86Å |
| 327 | I | 74.8 | Confident | 71.2 | Confident | 91 Ų | 91 | 74.4 Ų | 74.4 | 47% | 0.467 | 45% | 0.45 | S | S | . | . | H | α-helix | trans | -71.5 | -35.3 | 176.7 | -65.4 | -65.4 | 0 | 0 | 0 | 112 | G323 G324 V325 S331 | G323-I327 WeakPolarHBondContact O-CG1 3.3Å; G323-I327 PolarHBondContact O-N 3.36Å; G324-I327 WeakPolarHBondContact O-CA 3.21Å; G324-I327 PolarHBondContact O-N 3.3Å; V325-I327 PolarHBondContact O-N 2.98Å; I327-S331 WeakPolarHBondContact O-CB 3.39Å; I327-S331 PolarHBondContact O-N 3.35Å |
| 328 | I | 74.2 | Confident | 70.6 | Confident | 53 Ų | 53 | 73.8 Ų | 73.8 | 27% | 0.272 | 45% | 0.454 | S | S | . | . | H | α-helix | trans | -62.1 | -48.1 | 168.8 | -91.5 | 175.6 | 0 | 0 | 0 | 110.5 | I273 F277 G324 V325 A330 S331 C332 | I273-I328 HydrophobicContact CG2-CD1 4.19Å; F277-I328 HydrophobicContact CD1-CB 4.45Å; F277-I328 HydrophobicContact CD1-CD1 3.71Å; F277-I328 HydrophobicContact CD1-CG1 3.63Å; F277-I328 HydrophobicContact CE1-CB 3.99Å; F277-I328 HydrophobicContact CE1-CD1 3.28Å; F277-I328 HydrophobicContact CE1-CG1 3.47Å; F277-I328 VanDerWaalsContact CE1-CG1 3.47Å; F277-I328 HydrophobicContact CZ-CD1 4.06Å; G324-I328 PolarHBondContact O-N 2.85Å; V325-I328 PolarHBondContact O-N 3.36Å; I328-A330 PolarHBondContact O-N 3.45Å; I328-S331 PolarHBondContact O-N 3.09Å; I328-C332 WeakPolarHBondContact O-CB 3.46Å; I328-C332 PolarHBondContact O-N 2.84Å; I328-C332 PolarHBondContact O-SG 3.47Å; I328-C332 VanDerWaalsContact O-SG 3.35Å |
| 329 | I | 76.3 | Confident | 70 | Confident | 92 Ų | 92 | 75.8 Ų | 75.8 | 47% | 0.472 | 46% | 0.461 | S | S | . | . | H | α-helix | trans | -62.6 | -46.4 | -178.3 | -67.3 | 166.1 | 0 | 0 | 0 | 110.5 | V325 L326 C332 V333 | V325-I329 HydrophobicContact CG1-CD1 3.77Å; V325-I329 HydrophobicContact CG1-CG1 4.49Å; V325-I329 VanDerWaalsContact O-CG1 3.32Å; V325-I329 WeakPolarHBondContact O-CG1 3.31Å; V325-I329 PolarHBondContact O-N 3.45Å; L326-I329 PolarHBondContact O-N 3.33Å; I329-C332 PolarHBondContact O-N 3.27Å; I329-V333 HydrophobicContact CG2-CG2 4.4Å; I329-V333 WeakPolarHBondContact O-CB 3.21Å; I329-V333 VanDerWaalsContact O-CG2 3.26Å; I329-V333 WeakPolarHBondContact O-CG2 3.32Å; I329-V333 PolarHBondContact O-N 2.89Å |
| 330 | A | 74.9 | Confident | 69.1 | Low | 43 Ų | 43 | 79.2 Ų | 79.2 | 36% | 0.355 | 46% | 0.464 | S | S | . | . | H | α-helix | trans | -62.8 | -41.7 | 176.4 | 0 | 0 | 0 | 0 | 0 | 112.2 | L326 I328 V333 I334 | L326-A330 VanDerWaalsContact O-CB 3.3Å; L326-A330 WeakPolarHBondContact O-CB 3.36Å; L326-A330 PolarHBondContact O-N 2.86Å; I328-A330 PolarHBondContact O-N 3.45Å; A330-V333 PolarHBondContact O-N 2.98Å; A330-I334 WeakPolarHBondContact O-CB 3.38Å; A330-I334 VanDerWaalsContact O-CG1 3.3Å; A330-I334 WeakPolarHBondContact O-CG1 3.26Å; A330-I334 PolarHBondContact O-N 2.87Å |
| 331 | S | 69.6 | Low | 68.6 | Low | 51 Ų | 51 | 79 Ų | 79 | 36% | 0.357 | 47% | 0.468 | S | S | . | . | H | α-helix | trans | -62.1 | -47.4 | 175.5 | -175.7 | 0 | 0 | 0 | 0 | 111.5 | I327 I328 V333 I334 N335 | I327-S331 WeakPolarHBondContact O-CB 3.39Å; I327-S331 PolarHBondContact O-N 3.35Å; I328-S331 PolarHBondContact O-N 3.09Å; S331-V333 PolarHBondContact O-N 3.43Å; S331-I334 PolarHBondContact O-N 3.39Å; S331-N335 WeakPolarHBondContact O-CB 3.12Å; S331-N335 PolarHBondContact O-N 3.4Å |
| 332 | C | 69.3 | Low | 68 | Low | 66 Ų | 66 | 82.2 Ų | 82.2 | 45% | 0.446 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -61.1 | -42 | 174.4 | -69.7 | 0 | 0 | 0 | 0 | 112.2 | I328 I329 L336 | I328-C332 WeakPolarHBondContact O-CB 3.46Å; I328-C332 PolarHBondContact O-N 2.84Å; I328-C332 PolarHBondContact O-SG 3.47Å; I328-C332 VanDerWaalsContact O-SG 3.35Å; I329-C332 PolarHBondContact O-N 3.27Å; C332-L336 WeakPolarHBondContact O-CB 3.3Å; C332-L336 PolarHBondContact O-N 3.22Å |
| 333 | V | 78.2 | Confident | 66.8 | Low | 97 Ų | 97 | 81.4 Ų | 81.4 | 59% | 0.588 | 49% | 0.491 | S | S | * | . | H | α-helix | trans | -68.8 | -31.6 | 178.6 | 169.5 | 0 | 0 | 0 | 0 | 112.2 | I329 A330 S331 G337 | I329-V333 HydrophobicContact CG2-CG2 4.4Å; I329-V333 WeakPolarHBondContact O-CB 3.21Å; I329-V333 VanDerWaalsContact O-CG2 3.26Å; I329-V333 WeakPolarHBondContact O-CG2 3.32Å; I329-V333 PolarHBondContact O-N 2.89Å; A330-V333 PolarHBondContact O-N 2.98Å; S331-V333 PolarHBondContact O-N 3.43Å; V333-G337 WeakPolarHBondContact O-CA 3.44Å; V333-G337 PolarHBondContact O-N 3.33Å |
| 334 | I | 74.9 | Confident | 65.7 | Low | 127 Ų | 127 | 87.2 Ų | 87.2 | 65% | 0.651 | 52% | 0.52 | S | S | * | . | H | α-helix | trans | -80.5 | -41.5 | 175.3 | -67.7 | 165.4 | 0 | 0 | 0 | 111.2 | A330 S331 G338 | A330-I334 WeakPolarHBondContact O-CB 3.38Å; A330-I334 VanDerWaalsContact O-CG1 3.3Å; A330-I334 WeakPolarHBondContact O-CG1 3.26Å; A330-I334 PolarHBondContact O-N 2.87Å; S331-I334 PolarHBondContact O-N 3.39Å; I334-G338 PolarHBondContact O-N 2.95Å |
| 335 | N | 67.1 | Low | 64.6 | Low | 117 Ų | 117 | 89.9 Ų | 89.9 | 63% | 0.626 | 55% | 0.548 | S | S | * | . | H | α-helix | trans | -72 | -44.5 | -175.7 | -161.7 | 3.6 | 0 | 0 | 0 | 111.6 | S331 | S331-N335 WeakPolarHBondContact O-CB 3.12Å; S331-N335 PolarHBondContact O-N 3.4Å |
| 336 | L | 61.3 | Low | 63.6 | Low | 82 Ų | 82 | 99.2 Ų | 99.2 | 43% | 0.429 | 58% | 0.576 | S | S | . | * | H | α-helix | trans | -80.7 | -42.5 | 171.1 | -76.4 | 66.1 | 0 | 0 | 0 | 111.1 | C332 G338 E339 W340 | C332-L336 WeakPolarHBondContact O-CB 3.3Å; C332-L336 PolarHBondContact O-N 3.22Å; L336-G338 PolarHBondContact O-N 3.19Å; L336-E339 WeakPolarHBondContact O-CA 3.45Å; L336-E339 WeakPolarHBondContact O-CB 3.49Å; L336-E339 PolarHBondContact O-N 2.98Å; L336-W340 PolarHBondContact O-N 3.4Å; L336-W340 VanDerWaalsContact O-N 3.09Å |
| 337 | G | 58.4 | Low | 62.1 | Low | 30 Ų | 30 | 97.1 Ų | 97.1 | 31% | 0.309 | 58% | 0.58 | S | S | . | * | H | α-helix | trans | -70.7 | -13.9 | -176.9 | 0 | 0 | 0 | 0 | 0 | 114.5 | V333 E339 G341 | V333-G337 WeakPolarHBondContact O-CA 3.44Å; V333-G337 PolarHBondContact O-N 3.33Å; G337-E339 VanDerWaalsContact C-N 3.28Å; G337-G341 WeakPolarHBondContact O-CA 3.36Å; G337-G341 PolarHBondContact O-N 2.88Å |
| 338 | G | 58.4 | Low | 61 | Low | 57 Ų | 57 | 94.6 Ų | 94.6 | 59% | 0.588 | 58% | 0.576 | S | S | * | * | H | α-helix | trans | -65.7 | -31.9 | 162.9 | 0 | 0 | 0 | 0 | 0 | 112.6 | I334 L336 | I334-G338 PolarHBondContact O-N 2.95Å; L336-G338 PolarHBondContact O-N 3.19Å |
| 339 | E | 56.3 | Low | 59.9 | Low | 131 Ų | 131 | 100.6 Ų | 100.6 | 61% | 0.612 | 61% | 0.606 | S | S | * | * | H | α-helix | trans | -78.6 | -43.6 | 176.5 | -43.4 | 177.9 | 114.7 | 0 | 0 | 111.2 | L336 G337 | L336-E339 WeakPolarHBondContact O-CA 3.45Å; L336-E339 WeakPolarHBondContact O-CB 3.49Å; L336-E339 PolarHBondContact O-N 2.98Å; G337-E339 VanDerWaalsContact C-N 3.28Å |
| 340 | W | 53.3 | Low | 58.5 | Low | 171 Ų | 171 | 102.7 Ų | 102.7 | 65% | 0.648 | 61% | 0.613 | S | S | * | * | H | α-helix | trans | -86.1 | -18.7 | -177.9 | -55 | 105.2 | 0 | 0 | 0 | 114.3 | L336 | L336-W340 PolarHBondContact O-N 3.4Å; L336-W340 VanDerWaalsContact O-N 3.09Å |
| 341 | G | 54.2 | Low | 57.2 | Low | 61 Ų | 61 | 103.2 Ų | 103.2 | 63% | 0.629 | 62% | 0.623 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -84.5 | -13.3 | -171.2 | 0 | 0 | 0 | 0 | 0 | 115.8 | G337 | G337-G341 WeakPolarHBondContact O-CA 3.36Å; G337-G341 PolarHBondContact O-N 2.88Å |
| 342 | L | 52.9 | Low | 56.3 | Low | 172 Ų | 172 | 107.7 Ų | 107.7 | 90% | 0.901 | 64% | 0.642 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -134.9 | 38.1 | -179.2 | -151.6 | 76.6 | 0 | 0 | 0 | 112.8 | | |
| 343 | G | 50.7 | Low | 55 | Low | 56 Ų | 56 | 107.7 Ų | 107.7 | 58% | 0.577 | 65% | 0.647 | S | S | * | * | | | trans | -132.1 | 87.4 | -174.2 | 0 | 0 | 0 | 0 | 0 | 114.4 | G345 | G343-G345 PolarHBondContact O-N 2.87Š|
| 344 | T | 50.6 | Low | 53.5 | Low | 157 Ų | 157 | 111.5 Ų | 111.5 | 96% | 0.963 | 65% | 0.651 | S | S | * | * | | | trans | -66.8 | 100.1 | 159.6 | 46.2 | 0 | 0 | 0 | 0 | 110 | | |
| 345 | G | 48.3 | Very low | 52.1 | Low | 67 Ų | 67 | 108.6 Ų | 108.6 | 69% | 0.691 | 65% | 0.646 | S | S | * | * | S | Bend | trans | 123.7 | 112.4 | 157.6 | 0 | 0 | 0 | 0 | 0 | 117.6 | G343 | G343-G345 PolarHBondContact O-N 2.87Š|
| 346 | R | 55.1 | Low | 51.2 | Low | 257 Ų | 257 | 106.8 Ų | 106.8 | 97% | 0.97 | 65% | 0.647 | S | S | * | * | | | | 61.6 | 60.1 | 127.4 | -155.2 | -176.4 | -157.1 | -80.9 | -1.2 | 117.8 | | |
| 347 | G | 45.5 | Very low | 50.3 | Low | 62 Ų | 62 | 109.9 Ų | 109.9 | 64% | 0.639 | 66% | 0.663 | S | S | * | * | | | trans | 172.6 | 115.7 | 161.4 | 0 | 0 | 0 | 0 | 0 | 111.3 | | |
| 348 | G | 52 | Low | 49.7 | Very low | 37 Ų | 37 | 115.4 Ų | 115.4 | 38% | 0.381 | 69% | 0.685 | S | S | . | * | | | cis | 134.7 | 68 | 1.8 | 0 | 0 | 0 | 0 | 0 | 111.8 | E350 | G348-E350 PolarHBondContact O-N 2.88Š|
| 349 | M | 50.7 | Low | 49.1 | Very low | 180 Ų | 180 | 117.3 Ų | 117.3 | 89% | 0.887 | 69% | 0.686 | S | S | * | * | S | Bend | trans | 56.8 | -20.4 | 172.5 | 55.3 | 177.2 | 62.4 | 0 | 0 | 119.8 | | |
| 350 | E | 47.6 | Very low | 48.7 | Very low | 135 Ų | 135 | 115.6 Ų | 115.6 | 63% | 0.631 | 69% | 0.685 | S | S | * | * | | | trans | -87.2 | -4.5 | -171.5 | 60.5 | -166.9 | 102.8 | 0 | 0 | 116.5 | G348 | G348-E350 PolarHBondContact O-N 2.88Š|
| 351 | G | 47.8 | Very low | 48.2 | Very low | 55 Ų | 55 | 111 Ų | 111 | 57% | 0.567 | 68% | 0.684 | S | S | * | * | H | α-helix | trans | -68 | -39 | 174.9 | 0 | 0 | 0 | 0 | 0 | 114.1 | A353 R354 A355 | G351-A353 PolarHBondContact O-N 3.39Å; G351-A353 VanDerWaalsContact O-N 3.13Å; G351-R354 PolarHBondContact O-N 3.23Å; G351-R354 VanDerWaalsContact O-N 3.1Å; G351-A355 PolarHBondContact O-N 2.88Å |
| 352 | L | 49.4 | Very low | 47.9 | Very low | 145 Ų | 145 | 112 Ų | 112 | 76% | 0.759 | 68% | 0.679 | S | S | * | * | H | α-helix | trans | -58 | -30.3 | -176.5 | -84.3 | 164.4 | 0 | 0 | 0 | 113.7 | | |
| 353 | A | 42.5 | Very low | 47.6 | Very low | 66 Ų | 66 | 106.5 Ų | 106.5 | 55% | 0.545 | 66% | 0.659 | S | S | . | * | H | α-helix | trans | -76.3 | -27.8 | -179.4 | 0 | 0 | 0 | 0 | 0 | 113.5 | G351 | G351-A353 PolarHBondContact O-N 3.39Å; G351-A353 VanDerWaalsContact O-N 3.13Å |
| 354 | R | 46.2 | Very low | 47.3 | Very low | 177 Ų | 177 | 109.4 Ų | 109.4 | 67% | 0.668 | 66% | 0.66 | S | S | * | * | H | α-helix | trans | -85.5 | -36.5 | -176.3 | -78.4 | -174.8 | 164.6 | 110.3 | -3.7 | 113.1 | G351 A356 L357 | G351-R354 PolarHBondContact O-N 3.23Å; G351-R354 VanDerWaalsContact O-N 3.1Å; R354-A356 VanDerWaalsContact C-N 3.3Å; R354-A356 PolarHBondContact O-N 2.99Å; R354-L357 PolarHBondContact O-N 3.06Å |
| 355 | A | 46.1 | Very low | 47.1 | Very low | 66 Ų | 66 | 105.4 Ų | 105.4 | 55% | 0.545 | 64% | 0.639 | S | S | . | * | H | α-helix | trans | -62.1 | -37.2 | 177.1 | 0 | 0 | 0 | 0 | 0 | 112.8 | G351 L357 T359 | G351-A355 PolarHBondContact O-N 2.88Å; A355-L357 VanDerWaalsContact C-N 3.3Å; A355-L357 PolarHBondContact O-N 3.33Å; A355-T359 PolarHBondContact O-OG1 3.49Å |
| 356 | A | 47.1 | Very low | 46.9 | Very low | 79 Ų | 79 | 104.6 Ų | 104.6 | 65% | 0.653 | 62% | 0.622 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -69.3 | -19.7 | -177.7 | 0 | 0 | 0 | 0 | 0 | 114.8 | R354 | R354-A356 VanDerWaalsContact C-N 3.3Å; R354-A356 PolarHBondContact O-N 2.99Å |
| 357 | L | 43.5 | Very low | 46.5 | Very low | 146 Ų | 146 | 97 Ų | 97 | 76% | 0.764 | 60% | 0.601 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -100.7 | -7.9 | -174 | -67 | 176.9 | 0 | 0 | 0 | 114.5 | R354 A355 | R354-L357 PolarHBondContact O-N 3.06Å; A355-L357 VanDerWaalsContact C-N 3.3Å; A355-L357 PolarHBondContact O-N 3.33Å |
| 358 | L | 46.3 | Very low | 46.6 | Very low | 147 Ų | 147 | 98 Ų | 98 | 77% | 0.77 | 60% | 0.598 | S | S | * | * | S | Bend | trans | -116.6 | 5.2 | -171.2 | -77.5 | 168.5 | 0 | 0 | 0 | 115.3 | | |
| 359 | T | 45.3 | Very low | 46.5 | Very low | 97 Ų | 97 | 99.4 Ų | 99.4 | 60% | 0.595 | 60% | 0.601 | S | S | * | * | | | trans | -121.6 | 45.1 | -176.2 | 51.5 | 0 | 0 | 0 | 0 | 116.8 | A355 A361 | A355-T359 PolarHBondContact O-OG1 3.49Å; T359-A361 VanDerWaalsContact C-N 3.29Å; T359-A361 PolarHBondContact O-N 3.44Å |
| 360 | P | 47.6 | Very low | 46.5 | Very low | 94 Ų | 94 | 94 Ų | 94 | 61% | 0.61 | 58% | 0.576 | S | S | * | * | | | trans | -77.3 | -3.3 | 178.7 | 34.5 | -37.5 | 0 | 0 | 0 | 115.2 | | |
| 361 | A | 43 | Very low | 46.8 | Very low | 75 Ų | 75 | 90.9 Ų | 90.9 | 62% | 0.62 | 57% | 0.567 | S | S | * | * | H | α-helix | trans | -87 | -52.1 | -167.2 | 0 | 0 | 0 | 0 | 0 | 116.7 | T359 S365 | T359-A361 VanDerWaalsContact C-N 3.29Å; T359-A361 PolarHBondContact O-N 3.44Å; A361-S365 PolarHBondContact O-OG 3.41Å |
| 362 | P | 48.8 | Very low | 47 | Very low | 82 Ų | 82 | 94 Ų | 94 | 53% | 0.532 | 57% | 0.57 | S | S | . | * | H | α-helix | trans | -77.7 | -28.5 | -171.9 | 29.7 | -35 | 0 | 0 | 0 | 113.8 | S365 C366 | P362-S365 PolarHBondContact O-OG 3.35Å; P362-S365 VanDerWaalsContact O-OG 3.06Å; P362-C366 PolarHBondContact O-N 3.1Å; P362-C366 PolarHBondContact O-SG 3.24Å |
| 363 | A | 44.8 | Very low | 47.1 | Very low | 57 Ų | 57 | 91.2 Ų | 91.2 | 47% | 0.471 | 56% | 0.556 | S | S | . | * | H | α-helix | trans | -67.1 | -41 | -177 | 0 | 0 | 0 | 0 | 0 | 112.5 | L367 | A363-L367 WeakPolarHBondContact O-CG 3.35Å; A363-L367 PolarHBondContact O-N 3.12Å; A363-L367 VanDerWaalsContact O-N 3.1Å |
| 364 | L | 44.4 | Very low | 47.3 | Very low | 116 Ų | 116 | 92 Ų | 92 | 61% | 0.607 | 56% | 0.556 | S | S | * | * | H | α-helix | trans | -74 | -33.3 | -176.8 | -62.9 | 178.6 | 0 | 0 | 0 | 112.7 | L367 S368 | L364-L367 HydrophobicContact CD2-CD1 4.24Å; L364-L367 PolarHBondContact O-N 3.39Å; L364-S368 PolarHBondContact O-N 2.8Å; L364-S368 VanDerWaalsContact O-N 3.12Å |
| 365 | S | 47.5 | Very low | 47.5 | Very low | 73 Ų | 73 | 89.9 Ų | 89.9 | 51% | 0.51 | 56% | 0.557 | S | S | . | * | H | α-helix | trans | -70.5 | -38.7 | 175.6 | 46.9 | 0 | 0 | 0 | 0 | 112 | A361 P362 S368 S369 | A361-S365 PolarHBondContact O-OG 3.41Å; P362-S365 PolarHBondContact O-OG 3.35Å; P362-S365 VanDerWaalsContact O-OG 3.06Å; S365-S368 WeakPolarHBondContact O-CB 3.41Å; S365-S368 PolarHBondContact O-N 3.25Å; S365-S369 PolarHBondContact O-N 2.89Å; S365-S369 PolarHBondContact O-OG 3.09Å |
| 366 | C | 43.5 | Very low | 47.5 | Very low | 51 Ų | 51 | 91.4 Ų | 91.4 | 35% | 0.345 | 56% | 0.564 | S | S | . | * | H | α-helix | trans | -60.5 | -45.9 | 168.7 | -68.7 | 0 | 0 | 0 | 0 | 112.1 | P362 S368 S369 L370 | P362-C366 PolarHBondContact O-N 3.1Å; P362-C366 PolarHBondContact O-SG 3.24Å; C366-S368 PolarHBondContact O-N 2.89Å; C366-S369 WeakPolarHBondContact O-CB 3.46Å; C366-S369 PolarHBondContact O-N 2.88Å; C366-L370 WeakPolarHBondContact O-CD1 3.2Å; C366-L370 PolarHBondContact O-N 2.92Å |
| 367 | L | 46.2 | Very low | 47.4 | Very low | 98 Ų | 98 | 91.7 Ų | 91.7 | 51% | 0.513 | 55% | 0.554 | S | S | . | * | H | α-helix | trans | -60.2 | -29.4 | 178.5 | -78.2 | 165 | 0 | 0 | 0 | 113.5 | A363 L364 S369 P371 | A363-L367 WeakPolarHBondContact O-CG 3.35Å; A363-L367 PolarHBondContact O-N 3.12Å; A363-L367 VanDerWaalsContact O-N 3.1Å; L364-L367 HydrophobicContact CD2-CD1 4.24Å; L364-L367 PolarHBondContact O-N 3.39Å; L367-S369 VanDerWaalsContact C-N 3.35Å; L367-P371 WeakPolarHBondContact O-CD 3.07Å |
| 368 | S | 49 | Very low | 47.2 | Very low | 82 Ų | 82 | 88.3 Ų | 88.3 | 57% | 0.573 | 54% | 0.543 | S | S | * | . | H | α-helix | trans | -68 | -31.7 | 172.9 | -169.6 | 0 | 0 | 0 | 0 | 113 | L364 S365 C366 P371 | L364-S368 PolarHBondContact O-N 2.8Å; L364-S368 VanDerWaalsContact O-N 3.12Å; S365-S368 WeakPolarHBondContact O-CB 3.41Å; S365-S368 PolarHBondContact O-N 3.25Å; C366-S368 PolarHBondContact O-N 2.89Å; S368-P371 WeakPolarHBondContact O-CD 3.39Å; S368-P371 WeakPolarHBondContact O-CG 3.02Å |
| 369 | S | 48.6 | Very low | 47 | Very low | 66 Ų | 66 | 86.6 Ų | 86.6 | 46% | 0.462 | 54% | 0.54 | S | S | . | . | H | α-helix | trans | -78.5 | -27.6 | 179 | -55.1 | 0 | 0 | 0 | 0 | 113.9 | S365 C366 L367 L372 L373 | S365-S369 PolarHBondContact O-N 2.89Å; S365-S369 PolarHBondContact O-OG 3.09Å; C366-S369 WeakPolarHBondContact O-CB 3.46Å; C366-S369 PolarHBondContact O-N 2.88Å; L367-S369 VanDerWaalsContact C-N 3.35Å; S369-L372 PolarHBondContact O-N 2.81Å; S369-L373 PolarHBondContact O-N 3.42Å |
| 370 | L | 51.1 | Low | 47.1 | Very low | 68 Ų | 68 | 87.3 Ų | 87.3 | 36% | 0.356 | 55% | 0.547 | S | S | . | . | H | α-helix | trans | -55.9 | -52.6 | 179.2 | -94.3 | 71.3 | 0 | 0 | 0 | 114.1 | C366 L372 L373 C374 | C366-L370 WeakPolarHBondContact O-CD1 3.2Å; C366-L370 PolarHBondContact O-N 2.92Å; L370-L372 VanDerWaalsContact C-N 3.31Å; L370-L372 PolarHBondContact O-N 3.3Å; L370-L373 PolarHBondContact O-N 3.32Å; L370-C374 PolarHBondContact O-N 2.98Å; L370-C374 PolarHBondContact O-SG 3.49Å; L370-C374 VanDerWaalsContact O-SG 3.38Å |
| 371 | P | 54.3 | Low | 47 | Very low | 69 Ų | 69 | 87.9 Ų | 87.9 | 45% | 0.448 | 55% | 0.551 | S | S | . | * | H | α-helix | trans | -64.5 | -34.4 | 179.4 | 24.8 | -33.9 | 0 | 0 | 0 | 112.3 | L367 S368 C374 L375 | L367-P371 WeakPolarHBondContact O-CD 3.07Å; S368-P371 WeakPolarHBondContact O-CD 3.39Å; S368-P371 WeakPolarHBondContact O-CG 3.02Å; P371-C374 PolarHBondContact O-N 3.5Å; P371-L375 VanDerWaalsContact O-CD1 3.32Å; P371-L375 WeakPolarHBondContact O-CD1 3.1Å; P371-L375 PolarHBondContact O-N 3.1Å |
| 372 | L | 51.9 | Low | 47 | Very low | 120 Ų | 120 | 90 Ų | 90 | 63% | 0.628 | 56% | 0.558 | S | S | * | * | H | α-helix | trans | -60.9 | -47.3 | 172.7 | -108.6 | 71.1 | 0 | 0 | 0 | 111.4 | S369 L370 C374 L375 S376 | S369-L372 PolarHBondContact O-N 2.81Å; L370-L372 VanDerWaalsContact C-N 3.31Å; L370-L372 PolarHBondContact O-N 3.3Å; L372-C374 VanDerWaalsContact C-N 3.33Å; L372-C374 PolarHBondContact O-N 2.77Å; L372-L375 PolarHBondContact O-N 3.34Å; L372-S376 PolarHBondContact O-N 3.39Å; L372-S376 PolarHBondContact O-OG 3.4Å |
| 373 | L | 51.4 | Low | 47.1 | Very low | 87 Ų | 87 | 92.5 Ų | 92.5 | 46% | 0.455 | 57% | 0.571 | S | S | . | * | H | α-helix | trans | -63.8 | -37.9 | 179 | -168.3 | 67.5 | 0 | 0 | 0 | 112 | S369 L370 S376 L377 | S369-L373 PolarHBondContact O-N 3.42Å; L370-L373 PolarHBondContact O-N 3.32Å; L373-S376 PolarHBondContact O-N 3.5Å; L373-L377 HydrophobicContact CD1-CD1 4.19Å; L373-L377 HydrophobicContact CG-CD1 4.43Å; L373-L377 PolarHBondContact O-N 3.32Å |
| 374 | C | 47.5 | Very low | 47 | Very low | 82 Ų | 82 | 94.9 Ų | 94.9 | 55% | 0.554 | 58% | 0.583 | S | S | * | * | H | α-helix | trans | -65.7 | -37.5 | 173.5 | -70 | 0 | 0 | 0 | 0 | 112.9 | L370 P371 L372 S378 | L370-C374 PolarHBondContact O-N 2.98Å; L370-C374 PolarHBondContact O-SG 3.49Å; L370-C374 VanDerWaalsContact O-SG 3.38Å; P371-C374 PolarHBondContact O-N 3.5Å; L372-C374 VanDerWaalsContact C-N 3.33Å; L372-C374 PolarHBondContact O-N 2.77Å; C374-S378 PolarHBondContact O-N 3.13Å; C374-S378 PolarHBondContact O-OG 3.27Å |
| 375 | L | 50.6 | Low | 47.1 | Very low | 132 Ų | 132 | 94.8 Ų | 94.8 | 69% | 0.691 | 59% | 0.59 | S | S | * | * | H | α-helix | trans | -66.9 | -44.2 | 172.3 | -97.5 | 68.5 | 0 | 0 | 0 | 111.2 | P371 L372 L377 S378 | P371-L375 VanDerWaalsContact O-CD1 3.32Å; P371-L375 WeakPolarHBondContact O-CD1 3.1Å; P371-L375 PolarHBondContact O-N 3.1Å; L372-L375 PolarHBondContact O-N 3.34Å; L375-L377 VanDerWaalsContact C-N 3.27Å; L375-L377 PolarHBondContact O-N 3.04Å; L375-S378 WeakPolarHBondContact O-CB 3.47Å; L375-S378 PolarHBondContact O-N 3.31Å; L375-S378 VanDerWaalsContact O-N 3.16Å |
| 376 | S | 45.6 | Very low | 46.8 | Very low | 99 Ų | 99 | 96.9 Ų | 96.9 | 69% | 0.692 | 60% | 0.604 | S | S | * | * | H | α-helix | trans | -67.8 | -20.8 | 179.2 | -63.3 | 0 | 0 | 0 | 0 | 114.7 | L372 L373 | L372-S376 PolarHBondContact O-N 3.39Å; L372-S376 PolarHBondContact O-OG 3.4Å; L373-S376 PolarHBondContact O-N 3.5Å |
| 377 | L | 44.9 | Very low | 47 | Very low | 84 Ų | 84 | 102 Ų | 102 | 44% | 0.44 | 63% | 0.628 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -96 | -4.4 | 172.6 | -97.6 | 81 | 0 | 0 | 0 | 114.4 | F288 V292 L373 L375 P379 | F288-L377 HydrophobicContact CD1-CD2 4.4Å; F288-L377 HydrophobicContact CE1-CD1 4.38Å; F288-L377 HydrophobicContact CE1-CD2 3.34Å; F288-L377 HydrophobicContact CE1-CG 4.49Å; F288-L377 HydrophobicContact CZ-CD2 3.54Å; V292-L377 HydrophobicContact CG2-CD2 4.01Å; L373-L377 HydrophobicContact CD1-CD1 4.19Å; L373-L377 HydrophobicContact CG-CD1 4.43Å; L373-L377 PolarHBondContact O-N 3.32Å; L375-L377 VanDerWaalsContact C-N 3.27Å; L375-L377 PolarHBondContact O-N 3.04Å; L377-P379 WeakPolarHBondContact O-CD 3.22Å |
| 378 | S | 38.1 | Very low | 47.1 | Very low | 75 Ų | 75 | 102.4 Ų | 102.4 | 52% | 0.524 | 64% | 0.639 | S | S | . | * | S | Bend | trans | -75 | 119.2 | 173.1 | -64.9 | 0 | 0 | 0 | 0 | 108.7 | C374 L375 | C374-S378 PolarHBondContact O-N 3.13Å; C374-S378 PolarHBondContact O-OG 3.27Å; L375-S378 WeakPolarHBondContact O-CB 3.47Å; L375-S378 PolarHBondContact O-N 3.31Å; L375-S378 VanDerWaalsContact O-N 3.16Å |
| 379 | P | 43.7 | Very low | 46.9 | Very low | 111 Ų | 111 | 102.9 Ų | 102.9 | 72% | 0.721 | 64% | 0.642 | S | S | * | * | P | Polyproline II helix | trans | -61.6 | 147.2 | 174.3 | 27.4 | -34.1 | 0 | 0 | 0 | 109.5 | L377 | L377-P379 WeakPolarHBondContact O-CD 3.22Š|
| 380 | P | 47 | Very low | 47.3 | Very low | 113 Ų | 113 | 105.3 Ų | 105.3 | 73% | 0.734 | 66% | 0.656 | S | S | * | * | P | Polyproline II helix | trans | -57.4 | 141.6 | 176.3 | 25.5 | -34.1 | 0 | 0 | 0 | 109.6 | | |
| 381 | P | 45.1 | Very low | 47.3 | Very low | 106 Ų | 106 | 107.7 Ų | 107.7 | 69% | 0.688 | 67% | 0.674 | S | S | * | * | P | Polyproline II helix | trans | -57.7 | 141.3 | 177.9 | 25.7 | -34.4 | 0 | 0 | 0 | 109.3 | V383 | P381-V383 PolarHBondContact O-N 3.06Š|
| 382 | P | 43.4 | Very low | 47.2 | Very low | 119 Ų | 119 | 110.8 Ų | 110.8 | 77% | 0.773 | 69% | 0.691 | S | S | * | * | | | trans | -61.6 | 108.8 | -176.6 | 24.5 | -33.5 | 0 | 0 | 0 | 109.7 | C384 | P382-C384 VanDerWaalsContact C-N 3.31Å; P382-C384 PolarHBondContact O-N 3.28Å |
| 383 | V | 49.8 | Very low | 47 | Very low | 134 Ų | 134 | 115.1 Ų | 115.1 | 81% | 0.812 | 70% | 0.701 | S | S | * | * | | | trans | -71.3 | 91.4 | 174.9 | -178.5 | 0 | 0 | 0 | 0 | 107.3 | P381 P385 | P381-V383 PolarHBondContact O-N 3.06Å; V383-P385 VanDerWaalsContact O-CD 3.25Å; V383-P385 WeakPolarHBondContact O-CD 3.47Å; V383-P385 VanDerWaalsContact O-N 3.14Å |
| 384 | C | 42.4 | Very low | 47 | Very low | 107 Ų | 107 | 123.9 Ų | 123.9 | 72% | 0.723 | 74% | 0.735 | S | S | * | * | | | trans | -57 | 115.7 | 177.6 | -64.9 | 0 | 0 | 0 | 0 | 109.7 | P382 S386 | P382-C384 VanDerWaalsContact C-N 3.31Å; P382-C384 PolarHBondContact O-N 3.28Å; C384-S386 PolarHBondContact O-N 3.26Å |
| 385 | P | 46.7 | Very low | 47 | Very low | 114 Ų | 114 | 126 Ų | 126 | 74% | 0.74 | 74% | 0.744 | S | S | * | * | | | trans | -69 | 106.2 | 174.5 | 28.2 | -32.3 | 0 | 0 | 0 | 108 | V383 L387 | V383-P385 VanDerWaalsContact O-CD 3.25Å; V383-P385 WeakPolarHBondContact O-CD 3.47Å; V383-P385 VanDerWaalsContact O-N 3.14Å; P385-L387 PolarHBondContact O-N 3.4Å |
| 386 | S | 42.3 | Very low | 46.8 | Very low | 117 Ų | 117 | 125.6 Ų | 125.6 | 82% | 0.818 | 75% | 0.747 | S | S | * | * | | | trans | -66.9 | 104.7 | 179.2 | -168.1 | 0 | 0 | 0 | 0 | 109.3 | C384 S388 | C384-S386 PolarHBondContact O-N 3.26Å; S386-S388 PolarHBondContact O-N 2.7Å |
| 387 | L | 48.1 | Very low | 46.8 | Very low | 159 Ų | 159 | 127.1 Ų | 127.1 | 83% | 0.832 | 75% | 0.75 | S | S | * | * | | | trans | -72.3 | 73.4 | -179.4 | -104.1 | 162.6 | 0 | 0 | 0 | 110.6 | P385 S389 | P385-L387 PolarHBondContact O-N 3.4Å; L387-S389 VanDerWaalsContact C-N 3.29Å; L387-S389 PolarHBondContact O-N 2.69Å |
| 388 | S | 46.6 | Very low | 47 | Very low | 107 Ų | 107 | 129.6 Ų | 129.6 | 75% | 0.748 | 77% | 0.768 | S | S | * | * | | | trans | -73.6 | 79.2 | 175.5 | 178.6 | 0 | 0 | 0 | 0 | 110.6 | S386 P390 | S386-S388 PolarHBondContact O-N 2.7Å; S388-P390 WeakPolarHBondContact O-CD 3.38Å |
| 389 | S | 46.3 | Very low | 47.5 | Very low | 92 Ų | 92 | 133.1 Ų | 133.1 | 64% | 0.643 | 78% | 0.783 | S | S | * | * | | | trans | -55.8 | 124.2 | 173.3 | -58.3 | 0 | 0 | 0 | 0 | 111.5 | L387 T391 | L387-S389 VanDerWaalsContact C-N 3.29Å; L387-S389 PolarHBondContact O-N 2.69Å; S389-T391 PolarHBondContact O-N 3Å |
| 390 | P | 56.2 | Low | 47.8 | Very low | 117 Ų | 117 | 134.5 Ų | 134.5 | 76% | 0.76 | 79% | 0.787 | S | S | * | * | | | trans | -75.6 | 109 | 173.4 | 29.4 | -32.1 | 0 | 0 | 0 | 109.8 | S388 V392 | S388-P390 WeakPolarHBondContact O-CD 3.38Å; P390-V392 PolarHBondContact O-N 2.71Å |
| 391 | T | 51.1 | Low | 47.8 | Very low | 117 Ų | 117 | 136.1 Ų | 136.1 | 72% | 0.718 | 79% | 0.791 | S | S | * | * | | | trans | -67.6 | 103.5 | 174.5 | -48 | 0 | 0 | 0 | 0 | 110 | S389 Y393 | S389-T391 PolarHBondContact O-N 3Å; T391-Y393 HydrophobicContact CG2-CD2 4.2Å; T391-Y393 HydrophobicContact CG2-CE2 4.12Å; T391-Y393 PolarHBondContact O-N 2.68Å |
| 392 | V | 52.5 | Low | 48 | Very low | 135 Ų | 135 | 138.4 Ų | 138.4 | 82% | 0.818 | 80% | 0.799 | S | S | * | * | | | trans | -68.5 | 103 | 173.6 | 179.7 | 0 | 0 | 0 | 0 | 109.1 | P390 | P390-V392 PolarHBondContact O-N 2.71Š|
| 393 | Y | 47.2 | Very low | 48.4 | Very low | 211 Ų | 211 | 140 Ų | 140 | 83% | 0.827 | 80% | 0.801 | S | S | * | * | | | trans | -76.5 | 153 | 162.4 | -95.6 | -93.4 | 0 | 0 | 0 | 110.5 | T391 | T391-Y393 HydrophobicContact CG2-CD2 4.2Å; T391-Y393 HydrophobicContact CG2-CE2 4.12Å; T391-Y393 PolarHBondContact O-N 2.68Å |
| 394 | K | 51.8 | Low | 48.3 | Very low | 270 Ų | 270 | 140.5 Ų | 140.5 | 100% | 1.174 | 80% | 0.8 | S | S | * | * | | | trans | -129.9 | 0 | -171 | -179.1 | -178.2 | 178.2 | -178 | 0 | 110.2 | | |