| 1 | M | 31.7 | Very low | 29.1 | Very low | 249 Ų | 249 | 170.4 Ų | 170.4 | 100% | 1.227 | 84% | 0.843 | S | S | * | * | | | | 0 | 128 | 0 | -66 | 140.9 | 176.6 | 0 | 0 | 108.7 | | |
| 2 | S | 28.9 | Very low | 29.2 | Very low | 117 Ų | 117 | 167.1 Ų | 167.1 | 82% | 0.818 | 84% | 0.839 | S | S | * | * | | | trans | -159.4 | 128.4 | -179.3 | 178.5 | 0 | 0 | 0 | 0 | 111 | | |
| 3 | W | 23.7 | Very low | 29.2 | Very low | 248 Ų | 248 | 163.8 Ų | 163.8 | 94% | 0.939 | 83% | 0.832 | S | S | * | * | | | trans | -140.2 | 100.6 | 172.2 | -96.1 | -8.2 | 0 | 0 | 0 | 113.5 | | |
| 4 | S | 30 | Very low | 29.1 | Very low | 86 Ų | 86 | 163.5 Ų | 163.5 | 60% | 0.601 | 83% | 0.829 | S | S | * | * | | | | 54.7 | 79.5 | 122.1 | -57.4 | 0 | 0 | 0 | 0 | 119 | R6 | S4-R6 PolarHBondContact O-N 3.29Š|
| 5 | S | 28.1 | Very low | 29 | Very low | 133 Ų | 133 | 161 Ų | 161 | 93% | 0.93 | 83% | 0.832 | S | S | * | * | | | trans | -82.3 | 97 | 151.5 | -71.3 | 0 | 0 | 0 | 0 | 110.5 | | |
| 6 | R | 35.1 | Very low | 29.1 | Very low | 219 Ų | 219 | 161.6 Ų | 161.6 | 83% | 0.826 | 83% | 0.83 | S | S | * | * | | | trans | -98.1 | 169.8 | 165.8 | -62.3 | -169.1 | -170.8 | -146.5 | 5 | 110.5 | S4 | S4-R6 PolarHBondContact O-N 3.29Š|
| 7 | L | 31.8 | Very low | 29.2 | Very low | 127 Ų | 127 | 161.8 Ų | 161.8 | 67% | 0.665 | 83% | 0.827 | S | S | * | * | | | trans | 89.3 | 127.8 | -174.7 | -55.7 | 164.7 | 0 | 0 | 0 | 114.2 | | |
| 8 | W | 27.3 | Very low | 29.1 | Very low | 240 Ų | 240 | 162.6 Ų | 162.6 | 91% | 0.909 | 83% | 0.826 | S | S | * | * | | | cis | -160.7 | 152.7 | -24.9 | -126.1 | 21.6 | 0 | 0 | 0 | 107.9 | | |
| 9 | R | 29.1 | Very low | 29.1 | Very low | 227 Ų | 227 | 160.3 Ų | 160.3 | 86% | 0.857 | 82% | 0.816 | S | S | * | * | | | trans | -91.3 | 134.9 | 158.8 | -78.2 | -174.2 | 174.5 | -172.7 | -1.8 | 107.1 | | |
| 10 | A | 27.8 | Very low | 29 | Very low | 95 Ų | 95 | 158.5 Ų | 158.5 | 79% | 0.785 | 82% | 0.819 | S | S | * | * | | | trans | -85.4 | 106.1 | 162.3 | 0 | 0 | 0 | 0 | 0 | 107.5 | | |
| 11 | N | 27.2 | Very low | 29.1 | Very low | 133 Ų | 133 | 159.5 Ų | 159.5 | 71% | 0.711 | 82% | 0.822 | S | S | * | * | | | trans | -86.8 | 126.5 | 150.6 | -85.5 | 21.6 | 0 | 0 | 0 | 106 | | |
| 12 | V | 30.1 | Very low | 29 | Very low | 131 Ų | 131 | 152.2 Ų | 152.2 | 79% | 0.794 | 80% | 0.801 | S | S | * | * | | | trans | -86.2 | 122 | 157.2 | 176.3 | 0 | 0 | 0 | 0 | 105.5 | | |
| 13 | V | 29.5 | Very low | 28.9 | Very low | 124 Ų | 124 | 152.6 Ų | 152.6 | 75% | 0.752 | 80% | 0.799 | S | S | * | * | | | trans | -122.3 | 125.4 | 163.9 | 174 | 0 | 0 | 0 | 0 | 104.6 | | |
| 14 | M | 26.9 | Very low | 29.1 | Very low | 160 Ų | 160 | 147.8 Ų | 147.8 | 79% | 0.788 | 80% | 0.797 | S | S | * | * | | | trans | -78 | 141.4 | 173.1 | -73.6 | 174.1 | 156.2 | 0 | 0 | 108.9 | E16 | M14-E16 PolarHBondContact O-N 2.92Š|
| 15 | S | 28 | Very low | 28.9 | Very low | 126 Ų | 126 | 147.8 Ų | 147.8 | 88% | 0.881 | 80% | 0.802 | S | S | * | * | | | trans | -84.5 | 100.4 | 163.1 | -70.9 | 0 | 0 | 0 | 0 | 107.8 | | |
| 16 | E | 29.9 | Very low | 29 | Very low | 171 Ų | 171 | 148.3 Ų | 148.3 | 80% | 0.799 | 80% | 0.799 | S | S | * | * | | | trans | -80 | 120.6 | 158.9 | -70.2 | -173.6 | 91.1 | 0 | 0 | 108.1 | M14 | M14-E16 PolarHBondContact O-N 2.92Š|
| 17 | Q | 30.8 | Very low | 28.8 | Very low | 165 Ų | 165 | 143.1 Ų | 143.1 | 77% | 0.771 | 80% | 0.796 | S | S | * | * | | | trans | -91.7 | 103.6 | 172.2 | 177.2 | 83.2 | 34 | 0 | 0 | 106.9 | D19 | Q17-D19 PolarHBondContact NE2-OD2 3.35Š|
| 18 | Q | 27.7 | Very low | 29.5 | Very low | 175 Ų | 175 | 142.3 Ų | 142.3 | 82% | 0.818 | 80% | 0.799 | S | S | * | * | | | trans | -130 | 110.1 | 167.4 | -85.2 | -171.5 | -24 | 0 | 0 | 110.2 | | |
| 19 | D | 29.2 | Very low | 29.7 | Very low | 119 Ų | 119 | 135.5 Ų | 135.5 | 64% | 0.636 | 79% | 0.788 | S | S | * | * | | | trans | -65.4 | 143.5 | 165.4 | -75.4 | -107.6 | 0 | 0 | 0 | 110.6 | Q17 | Q17-D19 PolarHBondContact NE2-OD2 3.35Š|
| 20 | S | 28.4 | Very low | 29.7 | Very low | 124 Ų | 124 | 133 Ų | 133 | 87% | 0.867 | 79% | 0.786 | S | S | * | * | | | trans | -156.4 | 135 | 163 | -80.2 | 0 | 0 | 0 | 0 | 109.5 | | |
| 21 | M | 31.1 | Very low | 29.8 | Very low | 181 Ų | 181 | 138.4 Ų | 138.4 | 89% | 0.892 | 79% | 0.787 | S | S | * | * | | | trans | -111.5 | 152.5 | -167 | -56.2 | 171.7 | -172.3 | 0 | 0 | 111.7 | | |
| 22 | A | 28.3 | Very low | 29.9 | Very low | 95 Ų | 95 | 139.5 Ų | 139.5 | 79% | 0.785 | 79% | 0.792 | S | S | * | * | | | trans | -164.6 | 142.6 | 163.9 | 0 | 0 | 0 | 0 | 0 | 109.9 | | |
| 23 | T | 26.9 | Very low | 30.1 | Very low | 125 Ų | 125 | 141.8 Ų | 141.8 | 77% | 0.767 | 79% | 0.794 | S | S | * | * | | | cis | -157.9 | 135.7 | -19.9 | -73.4 | 0 | 0 | 0 | 0 | 106.9 | | |
| 24 | V | 27.7 | Very low | 30.8 | Very low | 148 Ų | 148 | 141 Ų | 141 | 90% | 0.897 | 79% | 0.792 | S | S | * | * | | | trans | -135.5 | 139.5 | 158.2 | -178.3 | 0 | 0 | 0 | 0 | 107.3 | | |
| 25 | A | 26.8 | Very low | 30.9 | Very low | 86 Ų | 86 | 137.8 Ų | 137.8 | 71% | 0.711 | 79% | 0.785 | S | S | * | * | | | trans | -86.2 | 155.6 | -172.4 | 0 | 0 | 0 | 0 | 0 | 113.1 | | |
| 26 | V | 28.9 | Very low | 31 | Very low | 143 Ų | 143 | 138.3 Ų | 138.3 | 87% | 0.867 | 78% | 0.783 | S | S | * | * | | | trans | -172.6 | 135.1 | 132.7 | 140.6 | 0 | 0 | 0 | 0 | 109.1 | | |
| 27 | S | 31 | Very low | 31 | Very low | 110 Ų | 110 | 134.3 Ų | 134.3 | 77% | 0.769 | 78% | 0.78 | S | S | * | * | | | trans | -101.8 | 159.9 | 167 | -76.5 | 0 | 0 | 0 | 0 | 107.9 | | |
| 28 | P | 47 | Very low | 30.9 | Very low | 111 Ų | 111 | 131.7 Ų | 131.7 | 72% | 0.721 | 78% | 0.78 | S | S | * | * | | | cis | -155.8 | 177.1 | 42.5 | 44.9 | -23.9 | 0 | 0 | 0 | 119.9 | | |
| 29 | S | 30.9 | Very low | 30.9 | Very low | 97 Ų | 97 | 128.9 Ų | 128.9 | 68% | 0.678 | 77% | 0.774 | S | S | * | * | | | trans | 69.3 | 150.6 | 138.6 | -73.8 | 0 | 0 | 0 | 0 | 124.4 | | |
| 30 | E | 29.5 | Very low | 31 | Very low | 175 Ų | 175 | 130.7 Ų | 130.7 | 82% | 0.818 | 78% | 0.779 | S | S | * | * | | | trans | 66.8 | 150 | 153.7 | -73 | 166.6 | 105 | 0 | 0 | 120 | | |
| 31 | Y | 30.1 | Very low | 31.1 | Very low | 207 Ų | 207 | 131.7 Ų | 131.7 | 81% | 0.812 | 77% | 0.77 | S | S | * | * | | | cis | -162.5 | -178.7 | -36.7 | -143.9 | -95.6 | 0 | 0 | 0 | 107.4 | | |
| 32 | L | 30.4 | Very low | 31 | Very low | 156 Ų | 156 | 129 Ų | 129 | 82% | 0.817 | 76% | 0.759 | S | S | * | * | | | trans | 68.9 | 108.1 | 164.5 | -60.4 | 173.2 | 0 | 0 | 0 | 120.1 | | |
| 33 | Q | 33.6 | Very low | 31 | Very low | 179 Ų | 179 | 130.7 Ų | 130.7 | 84% | 0.836 | 76% | 0.76 | S | S | * | * | | | | -82.5 | 174.9 | 129 | -83.7 | -161.8 | -10.4 | 0 | 0 | 108.6 | | |
| 34 | P | 43.8 | Very low | 31.3 | Very low | 108 Ų | 108 | 132.4 Ų | 132.4 | 70% | 0.701 | 76% | 0.759 | S | S | * | * | | | cis | -158.6 | -169.3 | 33.8 | 46.4 | -23.2 | 0 | 0 | 0 | 120 | | |
| 35 | S | 29.6 | Very low | 31.9 | Very low | 92 Ų | 92 | 131.3 Ų | 131.3 | 64% | 0.643 | 76% | 0.755 | S | S | * | * | | | trans | 74.2 | 113.2 | 139.9 | -68.2 | 0 | 0 | 0 | 0 | 124.9 | | |
| 36 | T | 30.4 | Very low | 32 | Very low | 138 Ų | 138 | 132.1 Ų | 132.1 | 85% | 0.847 | 76% | 0.756 | S | S | * | * | | | | 66 | 158.3 | 128.4 | 67.3 | 0 | 0 | 0 | 0 | 120.2 | | |
| 37 | A | 28.7 | Very low | 33 | Very low | 87 Ų | 87 | 130.4 Ų | 130.4 | 72% | 0.719 | 75% | 0.747 | S | S | * | * | | | cis | -150.2 | 176.1 | 11.1 | 0 | 0 | 0 | 0 | 0 | 114 | | |
| 38 | S | 28.5 | Very low | 33.1 | Very low | 110 Ų | 110 | 132.4 Ų | 132.4 | 77% | 0.769 | 75% | 0.748 | S | S | * | * | | | trans | 4.2 | 151.3 | 155.2 | -49.8 | 0 | 0 | 0 | 0 | 121.4 | | |
| 39 | T | 28.4 | Very low | 32.2 | Very low | 115 Ų | 115 | 132.1 Ų | 132.1 | 71% | 0.706 | 76% | 0.755 | S | S | * | * | | | | -170.3 | 150.8 | 63.2 | -56 | 0 | 0 | 0 | 0 | 113.2 | | |
| 40 | Q | 31.8 | Very low | 32.4 | Very low | 158 Ų | 158 | 134.3 Ų | 134.3 | 74% | 0.738 | 76% | 0.759 | S | S | * | * | | | trans | 3.8 | 157 | 157.8 | -52.2 | 174.8 | -70.7 | 0 | 0 | 120.9 | | |
| 41 | Q | 30.6 | Very low | 32.5 | Very low | 144 Ų | 144 | 133.8 Ų | 133.8 | 67% | 0.673 | 76% | 0.761 | S | S | * | * | | | cis | -168.9 | -177.9 | -10.6 | -109.4 | 164 | -115.4 | 0 | 0 | 105.6 | | |
| 42 | D | 27.6 | Very low | 32.4 | Very low | 126 Ų | 126 | 128.7 Ų | 128.7 | 67% | 0.674 | 76% | 0.761 | S | S | * | * | | | cis | -159.1 | -170.1 | 6.1 | -142.6 | -54.6 | 0 | 0 | 0 | 110.7 | | |
| 43 | T | 29.1 | Very low | 32.6 | Very low | 130 Ų | 130 | 125.9 Ų | 125.9 | 80% | 0.798 | 76% | 0.761 | S | S | * | * | | | trans | 100.8 | 136.4 | 159.3 | -32.2 | 0 | 0 | 0 | 0 | 117.7 | | |
| 44 | Q | 32.4 | Very low | 32.6 | Very low | 161 Ų | 161 | 123.9 Ų | 123.9 | 75% | 0.752 | 76% | 0.761 | S | S | * | * | | | trans | -58.4 | 157.3 | -178.6 | -74.6 | -64.1 | -44 | 0 | 0 | 114.5 | | |
| 45 | P | 41.3 | Very low | 32 | Very low | 124 Ų | 124 | 124.3 Ų | 124.3 | 81% | 0.805 | 77% | 0.765 | S | S | * | * | | | | -148.6 | -166.6 | 50.8 | 43.1 | -21.7 | 0 | 0 | 0 | 118 | | |
| 46 | S | 29.7 | Very low | 32.2 | Very low | 104 Ų | 104 | 125.1 Ų | 125.1 | 73% | 0.727 | 77% | 0.771 | S | S | * | * | | | trans | -146.2 | 168.7 | 178.4 | -137 | 0 | 0 | 0 | 0 | 109.6 | | |
| 47 | P | 48.4 | Very low | 32.4 | Very low | 106 Ų | 106 | 128.2 Ų | 128.2 | 69% | 0.688 | 77% | 0.773 | S | S | * | * | | | cis | -135.3 | -160.1 | 4.7 | 41.2 | -21.4 | 0 | 0 | 0 | 114.7 | | |
| 48 | L | 33.2 | Very low | 32.7 | Very low | 152 Ų | 152 | 131.9 Ų | 131.9 | 80% | 0.796 | 78% | 0.778 | S | S | * | * | | | trans | 81 | 76.8 | 163 | -71.1 | 160.9 | 0 | 0 | 0 | 119.1 | | |
| 49 | A | 28.3 | Very low | 32.6 | Very low | 105 Ų | 105 | 129.8 Ų | 129.8 | 87% | 0.868 | 78% | 0.775 | S | S | * | * | | | trans | -119 | 132.8 | 140.9 | 0 | 0 | 0 | 0 | 0 | 108.7 | | |
| 50 | L | 34.7 | Very low | 33.5 | Very low | 143 Ų | 143 | 130.6 Ų | 130.6 | 75% | 0.749 | 78% | 0.782 | S | S | * | * | | | trans | -155.2 | 90.1 | -171.5 | -134.9 | 173.7 | 0 | 0 | 0 | 112.7 | | |
| 51 | L | 32.8 | Very low | 35 | Very low | 165 Ų | 165 | 129.3 Ų | 129.3 | 86% | 0.864 | 79% | 0.787 | S | S | * | * | | | trans | 174.6 | 111 | 135.7 | -120.4 | 63.7 | 0 | 0 | 0 | 111.1 | | |
| 52 | A | 28 | Very low | 35.1 | Very low | 99 Ų | 99 | 127.4 Ų | 127.4 | 82% | 0.818 | 80% | 0.796 | S | S | * | * | | | trans | -160.8 | 152.7 | 164.5 | 0 | 0 | 0 | 0 | 0 | 110.6 | | |
| 53 | A | 33.6 | Very low | 35.3 | Very low | 97 Ų | 97 | 126 Ų | 126 | 80% | 0.802 | 80% | 0.802 | S | S | * | * | | | trans | 65.2 | 155.2 | -177.3 | 0 | 0 | 0 | 0 | 0 | 114.7 | | |
| 54 | T | 33.3 | Very low | 35.5 | Very low | 138 Ų | 138 | 129.2 Ų | 129.2 | 85% | 0.847 | 81% | 0.808 | S | S | * | * | | | cis | -124.6 | 168.8 | 13.8 | 52 | 0 | 0 | 0 | 0 | 113.8 | | |
| 55 | C | 31.3 | Very low | 35.5 | Very low | 116 Ų | 116 | 125.7 Ų | 125.7 | 78% | 0.784 | 81% | 0.806 | S | S | * | * | | | trans | -128.9 | 167.1 | -176.9 | -62.4 | 0 | 0 | 0 | 0 | 112.8 | | |
| 56 | S | 34.3 | Very low | 35.5 | Very low | 110 Ų | 110 | 125.7 Ų | 125.7 | 77% | 0.769 | 81% | 0.807 | S | S | * | * | | | trans | 80.8 | 113.6 | 147.4 | -54 | 0 | 0 | 0 | 0 | 121.5 | | |
| 57 | K | 34.8 | Very low | 35.8 | Very low | 202 Ų | 202 | 127.6 Ų | 127.6 | 88% | 0.878 | 81% | 0.813 | S | S | * | * | | | | -159.6 | 141.8 | 119.7 | -133.3 | 78.5 | 175.9 | -168 | 0 | 114.7 | | |
| 58 | I | 33.8 | Very low | 35.2 | Very low | 164 Ų | 164 | 127 Ų | 127 | 84% | 0.841 | 82% | 0.817 | S | S | * | * | | | trans | -52.2 | 138.8 | 172.7 | -60.7 | 149.7 | 0 | 0 | 0 | 111.8 | | |
| 59 | G | 26.7 | Very low | 35.8 | Very low | 67 Ų | 67 | 125.3 Ų | 125.3 | 69% | 0.691 | 82% | 0.818 | S | S | * | * | | | | 117.7 | 179.3 | 67.8 | 0 | 0 | 0 | 0 | 0 | 109.3 | | |
| 60 | P | 48.8 | Very low | 36.9 | Very low | 132 Ų | 132 | 126 Ų | 126 | 86% | 0.857 | 81% | 0.814 | S | S | * | * | | | cis | -121.2 | -161.8 | -10.6 | 45.8 | -29.2 | 0 | 0 | 0 | 112.3 | | |
| 61 | P | 62.9 | Low | 37.1 | Very low | 130 Ų | 130 | 125.2 Ų | 125.2 | 84% | 0.844 | 82% | 0.817 | S | S | * | * | | | trans | -114.3 | 159.5 | -168.5 | 41 | -32.9 | 0 | 0 | 0 | 118.6 | | |
| 62 | A | 32.1 | Very low | 37.3 | Very low | 104 Ų | 104 | 122.2 Ų | 122.2 | 86% | 0.86 | 82% | 0.816 | S | S | * | * | | | trans | -162 | 162.4 | 166.3 | 0 | 0 | 0 | 0 | 0 | 108.3 | | |
| 63 | A | 32.7 | Very low | 38 | Very low | 98 Ų | 98 | 125.7 Ų | 125.7 | 81% | 0.81 | 82% | 0.816 | S | S | * | * | | | cis | -160.3 | -178.8 | -23.1 | 0 | 0 | 0 | 0 | 0 | 107.7 | | |
| 64 | Q | 32.6 | Very low | 38.2 | Very low | 196 Ų | 196 | 126.5 Ų | 126.5 | 92% | 0.916 | 81% | 0.813 | S | S | * | * | | | trans | -84.9 | 166.8 | 175.4 | -55.1 | 165.1 | 34.2 | 0 | 0 | 109.7 | | |
| 65 | A | 31.4 | Very low | 38.5 | Very low | 87 Ų | 87 | 128.2 Ų | 128.2 | 72% | 0.719 | 81% | 0.811 | S | S | * | * | | | cis | -156 | -155.8 | 14 | 0 | 0 | 0 | 0 | 0 | 107.7 | | |
| 66 | P | 41.4 | Very low | 38.9 | Very low | 125 Ų | 125 | 128.3 Ų | 128.3 | 81% | 0.812 | 81% | 0.81 | S | S | * | * | | | cis | -124.1 | -174.9 | -16.7 | 41 | -25.1 | 0 | 0 | 0 | 113.3 | | |
| 67 | V | 37.4 | Very low | 39.1 | Very low | 143 Ų | 143 | 134.7 Ų | 134.7 | 87% | 0.867 | 82% | 0.818 | S | S | * | * | P | Polyproline II helix | trans | -98.6 | 132.8 | 178.5 | 174.7 | 0 | 0 | 0 | 0 | 111.4 | | |
| 68 | A | 34.7 | Very low | 39.1 | Very low | 94 Ų | 94 | 135.4 Ų | 135.4 | 78% | 0.777 | 82% | 0.815 | S | S | * | * | P | Polyproline II helix | trans | -95.8 | 143.6 | 168.3 | 0 | 0 | 0 | 0 | 0 | 111.8 | | |
| 69 | S | 45.8 | Very low | 39.5 | Very low | 116 Ų | 116 | 135.5 Ų | 135.5 | 81% | 0.811 | 82% | 0.816 | S | S | * | * | P | Polyproline II helix | trans | -75.1 | 141.7 | -174.1 | -57.7 | 0 | 0 | 0 | 0 | 113.7 | | |
| 70 | P | 50.9 | Low | 40.4 | Very low | 119 Ų | 119 | 139.1 Ų | 139.1 | 77% | 0.773 | 82% | 0.815 | S | S | * | * | P | Polyproline II helix | trans | -79 | 149.8 | 176 | 32.4 | -35.1 | 0 | 0 | 0 | 112.9 | | |
| 71 | P | 40.1 | Very low | 40.1 | Very low | 127 Ų | 127 | 138.5 Ų | 138.5 | 83% | 0.825 | 81% | 0.811 | S | S | * | * | P | Polyproline II helix | trans | -75.9 | 159.8 | -177.6 | 30.9 | -36.1 | 0 | 0 | 0 | 114.2 | | |
| 72 | A | 36.3 | Very low | 39.4 | Very low | 102 Ų | 102 | 140 Ų | 140 | 84% | 0.843 | 81% | 0.81 | S | S | * | * | P | Polyproline II helix | trans | -73.3 | 153.5 | -175.8 | 0 | 0 | 0 | 0 | 0 | 114.3 | | |
| 73 | Q | 42.5 | Very low | 39.7 | Very low | 173 Ų | 173 | 144.3 Ų | 144.3 | 81% | 0.808 | 81% | 0.809 | S | S | * | * | P | Polyproline II helix | trans | -97.5 | 141.1 | 177.6 | -76.8 | -91 | -56.3 | 0 | 0 | 111.8 | | |
| 74 | P | 38.3 | Very low | 40.1 | Very low | 114 Ų | 114 | 145.6 Ų | 145.6 | 74% | 0.74 | 81% | 0.81 | S | S | * | * | P | Polyproline II helix | trans | -75.5 | 152.2 | 178.9 | 30.9 | -35.2 | 0 | 0 | 0 | 113.3 | | |
| 75 | Q | 40.5 | Very low | 40.5 | Very low | 174 Ų | 174 | 140.1 Ų | 140.1 | 81% | 0.813 | 80% | 0.798 | S | S | * | * | P | Polyproline II helix | trans | -85.8 | 138.3 | -176.4 | -63 | -66.1 | -23.8 | 0 | 0 | 112.7 | | |
| 76 | P | 39.7 | Very low | 40.8 | Very low | 118 Ų | 118 | 142.4 Ų | 142.4 | 77% | 0.766 | 81% | 0.806 | S | S | * | * | P | Polyproline II helix | trans | -78.4 | 126.1 | 177.8 | 30.6 | -33.5 | 0 | 0 | 0 | 112.5 | | |
| 77 | R | 38.5 | Very low | 40.7 | Very low | 244 Ų | 244 | 144.4 Ų | 144.4 | 92% | 0.921 | 81% | 0.807 | S | S | * | * | P | Polyproline II helix | trans | -65 | 143 | 173.3 | -76.7 | -172.2 | 175.2 | -168.1 | -0.3 | 111.9 | L79 | R77-L79 PolarHBondContact O-N 3.39Š|
| 78 | R | 34.2 | Very low | 40.7 | Very low | 217 Ų | 217 | 141.5 Ų | 141.5 | 82% | 0.819 | 80% | 0.799 | S | S | * | * | | | trans | -85.5 | 105 | -178.5 | -175.5 | -172.9 | -172.2 | -148.1 | 5.3 | 111.3 | | |
| 79 | L | 41.3 | Very low | 40.9 | Very low | 166 Ų | 166 | 143.3 Ų | 143.3 | 87% | 0.869 | 80% | 0.802 | S | S | * | * | P | Polyproline II helix | trans | -79.5 | 143.4 | 169.4 | -66.5 | 174.2 | 0 | 0 | 0 | 111.2 | R77 | R77-L79 PolarHBondContact O-N 3.39Š|
| 80 | Q | 47.3 | Very low | 40.6 | Very low | 142 Ų | 142 | 142.2 Ų | 142.2 | 66% | 0.664 | 80% | 0.801 | S | S | * | * | P | Polyproline II helix | trans | -84.2 | 152.5 | 178.9 | -67.9 | -74.1 | 14.3 | 0 | 0 | 111.8 | I82 | Q80-I82 PolarHBondContact O-N 3.4Š|
| 81 | P | 41.9 | Very low | 40.3 | Very low | 119 Ų | 119 | 141.9 Ų | 141.9 | 77% | 0.773 | 80% | 0.798 | S | S | * | * | P | Polyproline II helix | trans | -76.1 | 121.4 | -178.8 | -13.3 | 29.7 | 0 | 0 | 0 | 112.8 | | |
| 82 | I | 47 | Very low | 40.3 | Very low | 162 Ų | 162 | 142 Ų | 142 | 83% | 0.831 | 80% | 0.799 | S | S | * | * | P | Polyproline II helix | trans | -76.8 | 135.5 | 165.4 | -59.7 | 173.6 | 0 | 0 | 0 | 108.5 | Q80 | Q80-I82 PolarHBondContact O-N 3.4Š|
| 83 | K | 38.8 | Very low | 40.3 | Very low | 194 Ų | 194 | 146.3 Ų | 146.3 | 84% | 0.843 | 80% | 0.799 | S | S | * | * | P | Polyproline II helix | trans | -69.1 | 131.3 | 176.1 | -68.5 | 178.8 | 179.9 | 175.9 | 0 | 110.5 | | |
| 84 | P | 41.9 | Very low | 40 | Very low | 126 Ų | 126 | 145.6 Ų | 145.6 | 82% | 0.818 | 80% | 0.801 | S | S | * | * | P | Polyproline II helix | trans | -76.2 | 136 | 174.1 | 30.6 | -33.4 | 0 | 0 | 0 | 111.6 | | |
| 85 | A | 40.1 | Very low | 39.9 | Very low | 80 Ų | 80 | 148.1 Ų | 148.1 | 66% | 0.661 | 81% | 0.807 | S | S | * | * | P | Polyproline II helix | trans | -77.6 | 157.7 | 166.3 | 0 | 0 | 0 | 0 | 0 | 111 | | |
| 86 | P | 38.7 | Very low | 39.4 | Very low | 136 Ų | 136 | 143.6 Ų | 143.6 | 88% | 0.883 | 81% | 0.807 | S | S | * | * | P | Polyproline II helix | trans | -68.7 | 140.6 | -177.2 | 27.7 | -35 | 0 | 0 | 0 | 112.8 | | |
| 87 | I | 39.5 | Very low | 38.9 | Very low | 166 Ų | 166 | 147.5 Ų | 147.5 | 85% | 0.851 | 81% | 0.813 | S | S | * | * | P | Polyproline II helix | trans | -103.9 | 128.1 | 177.7 | -63.7 | 173.8 | 0 | 0 | 0 | 109.1 | | |
| 88 | A | 36.2 | Very low | 38.6 | Very low | 83 Ų | 83 | 144.2 Ų | 144.2 | 69% | 0.686 | 81% | 0.812 | S | S | * | * | P | Polyproline II helix | trans | -70.7 | 151.8 | 177.8 | 0 | 0 | 0 | 0 | 0 | 112.7 | | |
| 89 | P | 38.5 | Very low | 38.4 | Very low | 131 Ų | 131 | 139.2 Ų | 139.2 | 85% | 0.851 | 81% | 0.81 | S | S | * | * | P | Polyproline II helix | trans | -71.4 | 141.3 | 179.9 | 29.5 | -35 | 0 | 0 | 0 | 112.6 | | |
| 90 | A | 39.8 | Very low | 38.2 | Very low | 94 Ų | 94 | 136.2 Ų | 136.2 | 78% | 0.777 | 81% | 0.81 | S | S | * | * | P | Polyproline II helix | trans | -85 | 150.1 | 178 | 0 | 0 | 0 | 0 | 0 | 112.5 | | |
| 91 | P | 46.1 | Very low | 37.6 | Very low | 111 Ų | 111 | 138.4 Ų | 138.4 | 72% | 0.721 | 82% | 0.817 | S | S | * | * | P | Polyproline II helix | trans | -72.1 | 157.8 | -174.2 | 28.7 | -36.1 | 0 | 0 | 0 | 114.4 | | |
| 92 | P | 38.7 | Very low | 37.3 | Very low | 129 Ų | 129 | 136.5 Ų | 136.5 | 84% | 0.838 | 82% | 0.819 | S | S | * | * | P | Polyproline II helix | trans | -70.4 | 150.2 | -179.8 | 30.1 | -35.8 | 0 | 0 | 0 | 112.8 | | |
| 93 | K | 37.8 | Very low | 36.5 | Very low | 193 Ų | 193 | 136.1 Ų | 136.1 | 84% | 0.839 | 82% | 0.818 | S | S | * | * | | | trans | -104.6 | 110.8 | -180 | -64.5 | 178.7 | -179.6 | -179.6 | 0 | 110.8 | | |
| 94 | N | 35.1 | Very low | 36.2 | Very low | 159 Ų | 159 | 133.6 Ų | 133.6 | 85% | 0.85 | 82% | 0.819 | S | S | * | * | | | trans | -151 | 79.2 | 167.5 | -96.8 | -37.3 | 0 | 0 | 0 | 111.3 | | |
| 95 | L | 35.7 | Very low | 35.6 | Very low | 166 Ų | 166 | 134.2 Ų | 134.2 | 87% | 0.869 | 81% | 0.814 | S | S | * | * | | | trans | -139 | 127.3 | 155.4 | -76.6 | -180 | 0 | 0 | 0 | 108.1 | | |
| 96 | G | 31.4 | Very low | 35.1 | Very low | 80 Ų | 80 | 138.9 Ų | 138.9 | 83% | 0.825 | 82% | 0.822 | S | S | * | * | P | Polyproline II helix | trans | -87.1 | 135.4 | 173.8 | 0 | 0 | 0 | 0 | 0 | 110.4 | | |
| 97 | F | 28.7 | Very low | 34.9 | Very low | 200 Ų | 200 | 139.3 Ų | 139.3 | 88% | 0.877 | 82% | 0.816 | S | S | * | * | P | Polyproline II helix | trans | -93.8 | 131.2 | 170.7 | -86.9 | -92.3 | 0 | 0 | 0 | 110.8 | | |
| 98 | L | 32.8 | Very low | 34.5 | Very low | 175 Ų | 175 | 137.2 Ų | 137.2 | 92% | 0.916 | 81% | 0.814 | S | S | * | * | P | Polyproline II helix | trans | -67 | 146.1 | 171.3 | -69.2 | 167.4 | 0 | 0 | 0 | 110.4 | A100 | L98-A100 PolarHBondContact O-N 3.11Š|
| 99 | S | 30 | Very low | 34.7 | Very low | 111 Ų | 111 | 139.7 Ų | 139.7 | 78% | 0.776 | 82% | 0.822 | S | S | * | * | | | trans | -78.2 | 113.2 | -175.8 | 172.5 | 0 | 0 | 0 | 0 | 111.8 | K101 | S99-K101 PolarHBondContact O-N 3.21Å; S99-K101 VanDerWaalsContact O-N 3.08Å |
| 100 | A | 35.9 | Very low | 34.5 | Very low | 103 Ų | 103 | 136.9 Ų | 136.9 | 85% | 0.851 | 82% | 0.818 | S | S | * | * | | | trans | -67.6 | 104.5 | 169.6 | 0 | 0 | 0 | 0 | 0 | 111.3 | L98 | L98-A100 PolarHBondContact O-N 3.11Š|
| 101 | K | 34.8 | Very low | 34.2 | Very low | 189 Ų | 189 | 141.1 Ų | 141.1 | 82% | 0.822 | 83% | 0.826 | S | S | * | * | | | trans | -134.7 | 124 | 153.7 | -86.8 | -166.3 | 170.6 | -168 | 0 | 107.4 | S99 | S99-K101 PolarHBondContact O-N 3.21Å; S99-K101 VanDerWaalsContact O-N 3.08Å |
| 102 | G | 36.6 | Very low | 33.4 | Very low | 79 Ų | 79 | 139.2 Ų | 139.2 | 81% | 0.814 | 83% | 0.827 | S | S | * | * | | | trans | -76.4 | 137.5 | 177.6 | 0 | 0 | 0 | 0 | 0 | 111.5 | | |
| 103 | N | 29.3 | Very low | 33.5 | Very low | 153 Ų | 153 | 142.6 Ų | 142.6 | 82% | 0.818 | 83% | 0.831 | S | S | * | * | | | trans | -111 | 130.3 | 155.8 | -76.6 | -10.2 | 0 | 0 | 0 | 106.9 | | |
| 104 | V | 32.8 | Very low | 33.2 | Very low | 141 Ų | 141 | 139 Ų | 139 | 86% | 0.855 | 83% | 0.83 | S | S | * | * | | | trans | -77.1 | 125.3 | 169.5 | 175.3 | 0 | 0 | 0 | 0 | 107.7 | | |
| 105 | I | 28.4 | Very low | 33.1 | Very low | 139 Ų | 139 | 135.8 Ų | 135.8 | 71% | 0.713 | 83% | 0.825 | S | S | * | * | | | trans | -105.3 | 112.1 | 168.6 | -59.7 | 177.1 | 0 | 0 | 0 | 106.5 | L107 | I105-L107 HydrophobicContact CG2-CD1 4.45Š|
| 106 | Q | 31.3 | Very low | 33.5 | Very low | 178 Ų | 178 | 134.4 Ų | 134.4 | 83% | 0.832 | 83% | 0.827 | S | S | * | * | | | trans | -75 | 141.2 | 163 | -71.3 | -177.5 | -16.1 | 0 | 0 | 108.6 | | |
| 107 | L | 33.6 | Very low | 34.2 | Very low | 146 Ų | 146 | 134.2 Ų | 134.2 | 76% | 0.764 | 82% | 0.824 | S | S | * | * | | | trans | -105 | 145.5 | 167.4 | -72.1 | 87.4 | 0 | 0 | 0 | 109.3 | I105 | I105-L107 HydrophobicContact CG2-CD1 4.45Š|
| 108 | P | 32 | Very low | 34.5 | Very low | 122 Ų | 122 | 130 Ų | 130 | 79% | 0.792 | 82% | 0.82 | S | S | * | * | | | trans | -64.4 | 151.7 | 173.9 | -19.9 | 32.9 | 0 | 0 | 0 | 112.3 | | |
| 109 | P | 38.9 | Very low | 34.8 | Very low | 134 Ų | 134 | 127.1 Ų | 127.1 | 87% | 0.87 | 81% | 0.811 | S | S | * | * | | | trans | -79.2 | 133.5 | 175.6 | 32.2 | -33.2 | 0 | 0 | 0 | 111.3 | | |
| 110 | G | 34.6 | Very low | 35.1 | Very low | 73 Ų | 73 | 129 Ų | 129 | 75% | 0.753 | 81% | 0.811 | S | S | * | * | | | trans | 136 | 95.8 | 163.4 | 0 | 0 | 0 | 0 | 0 | 115.6 | | |
| 111 | L | 33.2 | Very low | 35.1 | Very low | 183 Ų | 183 | 129.5 Ų | 129.5 | 96% | 0.958 | 80% | 0.803 | S | S | * | * | | | | -156.7 | 153.3 | 125.9 | -105.2 | 169.7 | 0 | 0 | 0 | 108.7 | | |
| 112 | G | 30.1 | Very low | 34.7 | Very low | 71 Ų | 71 | 127.8 Ų | 127.8 | 73% | 0.732 | 80% | 0.802 | S | S | * | * | | | trans | -78.6 | 161.5 | -162.4 | 0 | 0 | 0 | 0 | 0 | 115.9 | | |
| 113 | H | 41.3 | Very low | 34.4 | Very low | 200 Ų | 200 | 129.8 Ų | 129.8 | 93% | 0.926 | 80% | 0.799 | S | S | * | * | | | trans | -71.4 | 141.2 | 171.6 | -60.9 | 84.8 | 0 | 0 | 0 | 111.2 | | |
| 114 | S | 30.1 | Very low | 34.5 | Very low | 118 Ų | 118 | 129.2 Ų | 129.2 | 83% | 0.825 | 80% | 0.795 | S | S | * | * | | | trans | -154.6 | 136.1 | 157.9 | -167.6 | 0 | 0 | 0 | 0 | 111.6 | | |
| 115 | A | 33.8 | Very low | 34.2 | Very low | 90 Ų | 90 | 130.7 Ų | 130.7 | 74% | 0.744 | 79% | 0.792 | S | S | * | * | | | trans | 48.4 | 125.4 | 167 | 0 | 0 | 0 | 0 | 0 | 120.3 | | |
| 116 | P | 43.5 | Very low | 34.7 | Very low | 138 Ų | 138 | 132.3 Ų | 132.3 | 90% | 0.896 | 80% | 0.797 | S | S | * | * | S | Bend | trans | -81.8 | 149.4 | 162.8 | 34.9 | -32.7 | 0 | 0 | 0 | 111.4 | | |
| 117 | G | 46.6 | Very low | 34.4 | Very low | 75 Ų | 75 | 128.4 Ų | 128.4 | 77% | 0.773 | 79% | 0.789 | S | S | * | * | | | trans | 140.2 | -8.7 | 162.4 | 0 | 0 | 0 | 0 | 0 | 118.4 | | |
| 118 | S | 35.3 | Very low | 34.4 | Very low | 112 Ų | 112 | 127 Ų | 127 | 78% | 0.783 | 79% | 0.788 | S | S | * | * | | | trans | -110.4 | 121.4 | -175.6 | -56.7 | 0 | 0 | 0 | 0 | 113.1 | I120 | S118-I120 PolarHBondContact O-N 3.08Š|
| 119 | P | 39.5 | Very low | 34.3 | Very low | 114 Ų | 114 | 125.6 Ų | 125.6 | 74% | 0.74 | 79% | 0.787 | S | S | * | * | | | trans | -74.8 | 118.3 | 172.5 | 29.7 | -32.4 | 0 | 0 | 0 | 110.7 | V121 | P119-V121 PolarHBondContact O-N 3.38Å; P119-V121 VanDerWaalsContact O-N 3.11Å |
| 120 | I | 36 | Very low | 33.7 | Very low | 152 Ų | 152 | 131.2 Ų | 131.2 | 78% | 0.779 | 79% | 0.791 | S | S | * | * | | | trans | -74.1 | 102.3 | 174.3 | -60.9 | 173.3 | 0 | 0 | 0 | 108.8 | S118 L122 | S118-I120 PolarHBondContact O-N 3.08Å; I120-L122 HydrophobicContact CG2-CG 4.47Å; I120-L122 PolarHBondContact O-N 2.94Å |
| 121 | V | 34.8 | Very low | 34.2 | Very low | 112 Ų | 112 | 133.7 Ų | 133.7 | 68% | 0.679 | 79% | 0.792 | S | S | * | * | | | trans | -78.3 | 101.2 | 176.1 | -179.5 | 0 | 0 | 0 | 0 | 109.8 | P119 T123 | P119-V121 PolarHBondContact O-N 3.38Å; P119-V121 VanDerWaalsContact O-N 3.11Å; V121-T123 HydrophobicContact CG1-CG2 4.13Å; V121-T123 PolarHBondContact O-N 3.12Å; V121-T123 VanDerWaalsContact O-N 3.11Å |
| 122 | L | 27.6 | Very low | 34 | Very low | 153 Ų | 153 | 133 Ų | 133 | 80% | 0.801 | 79% | 0.789 | S | S | * | * | | | trans | -79.8 | 80.9 | 170.5 | -83.6 | 156.9 | 0 | 0 | 0 | 110.6 | I120 I124 | I120-L122 HydrophobicContact CG2-CG 4.47Å; I120-L122 PolarHBondContact O-N 2.94Å; L122-I124 PolarHBondContact O-N 3.11Å |
| 123 | T | 30 | Very low | 34.2 | Very low | 121 Ų | 121 | 133.7 Ų | 133.7 | 74% | 0.742 | 79% | 0.788 | S | S | * | * | | | trans | -67.7 | 98.2 | 170.6 | 23.6 | 0 | 0 | 0 | 0 | 111.1 | V121 Q125 | V121-T123 HydrophobicContact CG1-CG2 4.13Å; V121-T123 PolarHBondContact O-N 3.12Å; V121-T123 VanDerWaalsContact O-N 3.11Å; T123-Q125 VanDerWaalsContact C-N 3.32Å; T123-Q125 PolarHBondContact O-N 3.06Å |
| 124 | I | 32 | Very low | 33.6 | Very low | 142 Ų | 142 | 129.3 Ų | 129.3 | 73% | 0.728 | 79% | 0.786 | S | S | * | * | | | trans | -73 | 88.1 | 169 | -53.2 | 178.5 | 0 | 0 | 0 | 108.6 | L122 Q126 | L122-I124 PolarHBondContact O-N 3.11Å; I124-Q126 HydrophobicContact CG2-CG 4.03Å; I124-Q126 PolarHBondContact O-N 3.42Å |
| 125 | Q | 26.7 | Very low | 33.6 | Very low | 172 Ų | 172 | 127 Ų | 127 | 80% | 0.804 | 78% | 0.781 | S | S | * | * | | | trans | -74 | 88.2 | 178.5 | -169 | 166.2 | 30.3 | 0 | 0 | 111.1 | T123 S127 | T123-Q125 VanDerWaalsContact C-N 3.32Å; T123-Q125 PolarHBondContact O-N 3.06Å; Q125-S127 PolarHBondContact O-N 2.95Å |
| 126 | Q | 37.4 | Very low | 33.8 | Very low | 173 Ų | 173 | 129.4 Ų | 129.4 | 81% | 0.808 | 79% | 0.789 | S | S | * | * | | | trans | -76.1 | 87.5 | 171.5 | -62.7 | -167.6 | 18.6 | 0 | 0 | 110.5 | I124 | I124-Q126 HydrophobicContact CG2-CG 4.03Å; I124-Q126 PolarHBondContact O-N 3.42Å |
| 127 | S | 26.4 | Very low | 33.1 | Very low | 96 Ų | 96 | 127.1 Ų | 127.1 | 67% | 0.671 | 78% | 0.782 | S | S | * | * | P | Polyproline II helix | trans | -65.4 | 144 | 169.8 | -66.1 | 0 | 0 | 0 | 0 | 111 | Q125 | Q125-S127 PolarHBondContact O-N 2.95Š|
| 128 | P | 33.8 | Very low | 32.1 | Very low | 115 Ų | 115 | 131.3 Ų | 131.3 | 75% | 0.747 | 79% | 0.787 | S | S | * | * | P | Polyproline II helix | trans | -85.9 | 135.8 | -146 | 30.4 | -36.8 | 0 | 0 | 0 | 115.2 | R130 | P128-R130 PolarHBondContact O-N 2.95Š|
| 129 | A | 28.2 | Very low | 32 | Very low | 93 Ų | 93 | 131.8 Ų | 131.8 | 77% | 0.769 | 78% | 0.779 | S | S | * | * | P | Polyproline II helix | trans | -67.4 | 122.6 | 152.8 | 0 | 0 | 0 | 0 | 0 | 108.7 | T131 | A129-T131 PolarHBondContact O-N 3.02Å; A129-T131 VanDerWaalsContact O-N 3.15Å |
| 130 | R | 26.4 | Very low | 31.3 | Very low | 253 Ų | 253 | 135.6 Ų | 135.6 | 96% | 0.955 | 79% | 0.787 | S | S | * | * | | | trans | -65.3 | 113.7 | -179.7 | -75.5 | -173.9 | 172.9 | -155.4 | -0.8 | 111.4 | P128 | P128-R130 PolarHBondContact O-N 2.95Š|
| 131 | T | 46.4 | Very low | 31.2 | Very low | 124 Ų | 124 | 138.5 Ų | 138.5 | 76% | 0.761 | 79% | 0.79 | S | S | * | * | | | trans | -116 | 134.6 | 156.9 | 49.8 | 0 | 0 | 0 | 0 | 108.8 | A129 | A129-T131 PolarHBondContact O-N 3.02Å; A129-T131 VanDerWaalsContact O-N 3.15Å |
| 132 | N | 28.1 | Very low | 30.7 | Very low | 169 Ų | 169 | 142.4 Ų | 142.4 | 90% | 0.904 | 80% | 0.801 | S | S | * | * | | | trans | 177.8 | 154.5 | 151.7 | -96.4 | -20.8 | 0 | 0 | 0 | 110.8 | | |
| 133 | A | 34.4 | Very low | 31 | Very low | 85 Ų | 85 | 141.6 Ų | 141.6 | 70% | 0.702 | 80% | 0.801 | S | S | * | * | | | cis | 178.5 | 150.6 | -37 | 0 | 0 | 0 | 0 | 0 | 109.5 | | |
| 134 | A | 29.6 | Very low | 30.8 | Very low | 109 Ų | 109 | 143.8 Ų | 143.8 | 90% | 0.901 | 81% | 0.805 | S | S | * | * | | | trans | 154.1 | 135.3 | 152.2 | 0 | 0 | 0 | 0 | 0 | 107.9 | | |
| 135 | G | 28.8 | Very low | 30.8 | Very low | 70 Ų | 70 | 141.9 Ų | 141.9 | 72% | 0.722 | 80% | 0.802 | S | S | * | * | | | cis | 167.9 | -177.7 | -1.9 | 0 | 0 | 0 | 0 | 0 | 107.9 | | |
| 136 | P | 38.1 | Very low | 30.9 | Very low | 140 Ų | 140 | 142.6 Ų | 142.6 | 91% | 0.909 | 81% | 0.805 | S | S | * | * | | | cis | -106 | -165.9 | -8.4 | 41.1 | -31 | 0 | 0 | 0 | 111.9 | | |
| 137 | A | 29.1 | Very low | 30.5 | Very low | 90 Ų | 90 | 141.5 Ų | 141.5 | 74% | 0.744 | 80% | 0.804 | S | S | * | * | | | trans | -118.1 | 163.7 | -174.2 | 0 | 0 | 0 | 0 | 0 | 113.9 | | |
| 138 | N | 26 | Very low | 30.7 | Very low | 163 Ų | 163 | 146.1 Ų | 146.1 | 87% | 0.872 | 82% | 0.815 | S | S | * | * | | | trans | -136.7 | 148.3 | 153.3 | -164.5 | -9.9 | 0 | 0 | 0 | 107.9 | | |
| 139 | I | 33.7 | Very low | 30.6 | Very low | 121 Ų | 121 | 146.9 Ų | 146.9 | 62% | 0.621 | 82% | 0.817 | S | S | * | * | | | trans | -128.1 | 134.5 | -163.8 | -59 | 170.8 | 0 | 0 | 0 | 109.8 | Y141 | I139-Y141 HydrophobicContact CG2-CD2 4.43Å; I139-Y141 HydrophobicContact CG2-CE2 4.31Å |
| 140 | Q | 24.9 | Very low | 30.7 | Very low | 194 Ų | 194 | 150.2 Ų | 150.2 | 91% | 0.907 | 82% | 0.819 | S | S | * | * | | | trans | -133.5 | 147.1 | 152.6 | -76.6 | -158.1 | -17.2 | 0 | 0 | 110.8 | | |
| 141 | Y | 32.4 | Very low | 31.8 | Very low | 214 Ų | 214 | 143.8 Ų | 143.8 | 84% | 0.839 | 81% | 0.809 | S | S | * | * | | | trans | -89.3 | 151.9 | -177.7 | -71.3 | -103.5 | 0 | 0 | 0 | 111.1 | I139 | I139-Y141 HydrophobicContact CG2-CD2 4.43Å; I139-Y141 HydrophobicContact CG2-CE2 4.31Å |
| 142 | Q | 25.6 | Very low | 31.2 | Very low | 194 Ų | 194 | 146.6 Ų | 146.6 | 91% | 0.907 | 81% | 0.814 | S | S | * | * | | | trans | -143.9 | 135.1 | 153 | -153.4 | 166.2 | 30.1 | 0 | 0 | 110.4 | | |
| 143 | V | 32.3 | Very low | 32.1 | Very low | 135 Ų | 135 | 142.7 Ų | 142.7 | 82% | 0.818 | 81% | 0.814 | S | S | * | * | | | trans | -95.8 | 144.9 | -179.2 | 177.8 | 0 | 0 | 0 | 0 | 109.2 | | |
| 144 | M | 25.8 | Very low | 32.2 | Very low | 167 Ų | 167 | 141.6 Ų | 141.6 | 82% | 0.823 | 81% | 0.811 | S | S | * | * | | | trans | -121.7 | 133.4 | 176.4 | -134.4 | -163.8 | 84.5 | 0 | 0 | 110.8 | | |
| 145 | P | 32.9 | Very low | 32.6 | Very low | 103 Ų | 103 | 146.1 Ų | 146.1 | 67% | 0.669 | 81% | 0.813 | S | S | * | * | | | trans | -80.2 | 152.6 | 174.8 | 32.5 | -34.5 | 0 | 0 | 0 | 112.3 | | |
| 146 | Q | 29 | Very low | 33.1 | Very low | 186 Ų | 186 | 149.5 Ų | 149.5 | 87% | 0.869 | 81% | 0.813 | S | S | * | * | | | trans | -83.6 | 144.3 | 169.7 | -73.6 | -82.7 | 1.5 | 0 | 0 | 110.6 | | |
| 147 | I | 28.6 | Very low | 33.1 | Very low | 150 Ų | 150 | 151.7 Ų | 151.7 | 77% | 0.769 | 81% | 0.811 | S | S | * | * | | | trans | -131.6 | 132.1 | 166 | -60.9 | -179.4 | 0 | 0 | 0 | 108.1 | | |
| 148 | Q | 31.5 | Very low | 33.5 | Very low | 194 Ų | 194 | 154.4 Ų | 154.4 | 91% | 0.907 | 81% | 0.812 | S | S | * | * | | | trans | -110.7 | 132.4 | -170.9 | -168.3 | 175.6 | 38.9 | 0 | 0 | 110.1 | | |
| 149 | V | 30.9 | Very low | 34.2 | Very low | 130 Ų | 130 | 153 Ų | 153 | 79% | 0.788 | 80% | 0.804 | S | S | * | * | | | trans | -137.6 | 129.3 | -179.5 | -176.6 | 0 | 0 | 0 | 0 | 109.8 | | |
| 150 | M | 29.6 | Very low | 34.2 | Very low | 164 Ų | 164 | 153.6 Ų | 153.6 | 81% | 0.808 | 82% | 0.816 | S | S | * | * | | | trans | -84.3 | 153.4 | 176.2 | -75.4 | 175.3 | 62.4 | 0 | 0 | 112.1 | | |
| 151 | P | 49.9 | Very low | 35.2 | Very low | 117 Ų | 117 | 148 Ų | 148 | 76% | 0.76 | 81% | 0.81 | S | S | * | * | | | trans | -78.3 | 134.2 | 177.4 | 32 | -34 | 0 | 0 | 0 | 112 | | |
| 152 | Q | 34.4 | Very low | 35.8 | Very low | 184 Ų | 184 | 142.4 Ų | 142.4 | 86% | 0.86 | 80% | 0.798 | S | S | * | * | | | trans | -133.4 | 144.5 | 159.8 | -75 | -65 | -6.2 | 0 | 0 | 109 | | |
| 153 | G | 46.3 | Very low | 36.6 | Very low | 87 Ų | 87 | 141.6 Ų | 141.6 | 90% | 0.897 | 80% | 0.8 | S | S | * | * | | | trans | -75 | 125.8 | -164.3 | 0 | 0 | 0 | 0 | 0 | 114.9 | | |
| 154 | G | 36.3 | Very low | 36.9 | Very low | 62 Ų | 62 | 143.6 Ų | 143.6 | 64% | 0.639 | 80% | 0.8 | S | S | * | * | | | trans | -159.1 | 147.1 | 168.1 | 0 | 0 | 0 | 0 | 0 | 110.8 | | |
| 155 | Q | 37.8 | Very low | 37.3 | Very low | 203 Ų | 203 | 139.7 Ų | 139.7 | 95% | 0.949 | 80% | 0.795 | S | S | * | * | | | trans | -75.4 | 127.5 | 177.4 | -72.1 | -168.3 | 1.8 | 0 | 0 | 111 | | |
| 156 | I | 39.7 | Very low | 37.5 | Very low | 141 Ų | 141 | 142.3 Ų | 142.3 | 72% | 0.723 | 80% | 0.801 | S | S | * | * | | | trans | -107.2 | 105.9 | 179.5 | -49.5 | 178.5 | 0 | 0 | 0 | 109.4 | L158 | I156-L158 HydrophobicContact CG2-CD2 4.25Å; I156-L158 HydrophobicContact CG2-CG 4.04Å; I156-L158 PolarHBondContact O-N 3.34Å |
| 157 | Q | 38.6 | Very low | 37.8 | Very low | 186 Ų | 186 | 140.5 Ų | 140.5 | 87% | 0.869 | 80% | 0.796 | S | S | * | * | | | trans | -90.5 | 91.4 | 175.3 | -168.7 | 91.3 | 84.3 | 0 | 0 | 110.1 | | |
| 158 | L | 38.3 | Very low | 38.1 | Very low | 147 Ų | 147 | 139.3 Ų | 139.3 | 77% | 0.77 | 80% | 0.796 | S | S | * | * | | | trans | -75.6 | 128.3 | 180 | -72.9 | 164.6 | 0 | 0 | 0 | 112.4 | I156 | I156-L158 HydrophobicContact CG2-CD2 4.25Å; I156-L158 HydrophobicContact CG2-CG 4.04Å; I156-L158 PolarHBondContact O-N 3.34Å |
| 159 | I | 40.5 | Very low | 38.3 | Very low | 134 Ų | 134 | 135.3 Ų | 135.3 | 69% | 0.687 | 79% | 0.785 | S | S | * | * | | | trans | -92.3 | 120.9 | 167.9 | -58.4 | 177.1 | 0 | 0 | 0 | 108.3 | G161 | I159-G161 PolarHBondContact O-N 3.05Å; I159-G161 VanDerWaalsContact O-N 3.08Å |
| 160 | P | 32.5 | Very low | 38.4 | Very low | 134 Ų | 134 | 134.6 Ų | 134.6 | 87% | 0.87 | 78% | 0.783 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -75.5 | 102.1 | -175 | 29.2 | -34.3 | 0 | 0 | 0 | 111.8 | | |
| 161 | G | 46.9 | Very low | 38.4 | Very low | 77 Ų | 77 | 135.3 Ų | 135.3 | 79% | 0.794 | 79% | 0.787 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 154.9 | -11 | 169 | 0 | 0 | 0 | 0 | 0 | 117.2 | I159 | I159-G161 PolarHBondContact O-N 3.05Å; I159-G161 VanDerWaalsContact O-N 3.08Å |
| 162 | T | 44.8 | Very low | 37.6 | Very low | 96 Ų | 96 | 135.8 Ų | 135.8 | 59% | 0.589 | 79% | 0.788 | S | S | * | * | | | trans | -137.9 | 133 | -172.3 | 48.6 | 0 | 0 | 0 | 0 | 112.9 | Q164 | T162-Q164 PolarHBondContact O-N 3.08Š|
| 163 | N | 42.9 | Very low | 37.6 | Very low | 177 Ų | 177 | 132.9 Ų | 132.9 | 95% | 0.947 | 78% | 0.782 | S | S | * | * | S | Bend | trans | -78.3 | 61.5 | 172.9 | -70.4 | -11.6 | 0 | 0 | 0 | 111.6 | | |
| 164 | Q | 37.9 | Very low | 36.9 | Very low | 176 Ų | 176 | 134.4 Ų | 134.4 | 82% | 0.822 | 78% | 0.776 | S | S | * | * | | | trans | -142.3 | 142.1 | 168.6 | -67.1 | -168.2 | 21.2 | 0 | 0 | 109.5 | T162 | T162-Q164 PolarHBondContact O-N 3.08Š|
| 165 | A | 34.9 | Very low | 36.5 | Very low | 85 Ų | 85 | 136.5 Ų | 136.5 | 70% | 0.702 | 79% | 0.788 | S | S | * | * | | | trans | -124.2 | 132.4 | 174.4 | 0 | 0 | 0 | 0 | 0 | 109.1 | | |
| 166 | I | 35.8 | Very low | 36 | Very low | 158 Ų | 158 | 131.9 Ų | 131.9 | 81% | 0.81 | 78% | 0.784 | S | S | * | * | | | trans | -99.4 | 119.9 | 173.7 | -59.6 | 176.5 | 0 | 0 | 0 | 107.2 | T168 | I166-T168 HydrophobicContact CG2-CG2 4.33Š|
| 167 | I | 35.4 | Very low | 35.3 | Very low | 148 Ų | 148 | 130.3 Ų | 130.3 | 76% | 0.759 | 79% | 0.792 | S | S | * | * | | | trans | -100.1 | 102.6 | 177.8 | -56.6 | 174.8 | 0 | 0 | 0 | 107.8 | T169 | I167-T169 HydrophobicContact CG2-CG2 4.43Š|
| 168 | T | 35.6 | Very low | 34.9 | Very low | 125 Ų | 125 | 126 Ų | 126 | 77% | 0.767 | 79% | 0.788 | S | S | * | * | | | trans | -90.9 | 105.8 | 169.3 | 49.6 | 0 | 0 | 0 | 0 | 109.7 | I166 | I166-T168 HydrophobicContact CG2-CG2 4.33Š|
| 169 | T | 34.6 | Very low | 34.4 | Very low | 110 Ų | 110 | 125.7 Ų | 125.7 | 68% | 0.675 | 79% | 0.792 | S | S | * | * | | | trans | -78.2 | 135.4 | 169.1 | 44 | 0 | 0 | 0 | 0 | 110.7 | I167 | I167-T169 HydrophobicContact CG2-CG2 4.43Š|
| 170 | P | 33.9 | Very low | 33.7 | Very low | 116 Ų | 116 | 125.1 Ų | 125.1 | 75% | 0.753 | 80% | 0.795 | S | S | * | * | | | trans | -75.8 | 121.5 | 165.9 | 30.3 | -31 | 0 | 0 | 0 | 109.3 | T172 | P170-T172 PolarHBondContact O-N 3.37Š|
| 171 | M | 29.4 | Very low | 34.3 | Very low | 178 Ų | 178 | 124.2 Ų | 124.2 | 88% | 0.877 | 79% | 0.79 | S | S | * | * | | | trans | -78.3 | 106.8 | 168.5 | -69.2 | -147.3 | 78.9 | 0 | 0 | 110 | | |
| 172 | T | 32.8 | Very low | 33.3 | Very low | 128 Ų | 128 | 126.9 Ų | 126.9 | 79% | 0.785 | 79% | 0.79 | S | S | * | * | | | trans | -91.9 | 114.2 | 167.8 | -55.4 | 0 | 0 | 0 | 0 | 108.8 | P170 | P170-T172 PolarHBondContact O-N 3.37Š|
| 173 | V | 34.3 | Very low | 32.4 | Very low | 123 Ų | 123 | 128.3 Ų | 128.3 | 75% | 0.745 | 80% | 0.799 | S | S | * | * | P | Polyproline II helix | trans | -81.5 | 130.7 | 174.6 | -177.1 | 0 | 0 | 0 | 0 | 109 | | |
| 174 | P | 32.8 | Very low | 32.3 | Very low | 118 Ų | 118 | 124.7 Ų | 124.7 | 77% | 0.766 | 79% | 0.785 | S | S | * | * | P | Polyproline II helix | trans | -73 | 143.7 | 176.7 | 30.4 | -34.6 | 0 | 0 | 0 | 111.5 | | |
| 175 | A | 26.1 | Very low | 31.8 | Very low | 107 Ų | 107 | 123.6 Ų | 123.6 | 88% | 0.884 | 78% | 0.78 | S | S | * | * | P | Polyproline II helix | trans | -83.7 | 147.4 | 175.6 | 0 | 0 | 0 | 0 | 0 | 111.9 | | |
| 176 | A | 27.9 | Very low | 31.5 | Very low | 105 Ų | 105 | 128.2 Ų | 128.2 | 87% | 0.868 | 78% | 0.784 | S | S | * | * | | | trans | -125.4 | 164.4 | 172.5 | 0 | 0 | 0 | 0 | 0 | 110.8 | | |
| 177 | A | 26.4 | Very low | 31.1 | Very low | 109 Ų | 109 | 126.5 Ų | 126.5 | 90% | 0.901 | 78% | 0.781 | S | S | * | * | | | trans | -78.4 | 170.5 | -161.7 | 0 | 0 | 0 | 0 | 0 | 115.7 | | |
| 178 | A | 28.2 | Very low | 30.6 | Very low | 95 Ų | 95 | 125.6 Ų | 125.6 | 79% | 0.785 | 78% | 0.782 | S | S | * | * | | | trans | -90.3 | 152.4 | -166.5 | 0 | 0 | 0 | 0 | 0 | 115.4 | | |
| 179 | V | 28.5 | Very low | 30.1 | Very low | 140 Ų | 140 | 123.9 Ų | 123.9 | 85% | 0.848 | 78% | 0.78 | S | S | * | * | | | trans | -140.7 | 147.4 | 159.3 | -178.2 | 0 | 0 | 0 | 0 | 108.6 | | |
| 180 | T | 26.3 | Very low | 29.6 | Very low | 123 Ų | 123 | 126 Ų | 126 | 76% | 0.755 | 79% | 0.786 | S | S | * | * | | | trans | -138.1 | 173.9 | 174.6 | 63.4 | 0 | 0 | 0 | 0 | 108.8 | | |
| 181 | P | 44 | Very low | 29.4 | Very low | 115 Ų | 115 | 129.9 Ų | 129.9 | 75% | 0.747 | 79% | 0.791 | S | S | * | * | | | cis | -126.3 | -165.3 | -11.6 | 39 | -21.6 | 0 | 0 | 0 | 112.2 | | |
| 182 | V | 26.2 | Very low | 29.7 | Very low | 132 Ų | 132 | 126.9 Ų | 126.9 | 80% | 0.8 | 79% | 0.785 | S | S | * | * | | | trans | 151.8 | 146.5 | 140.6 | 163.6 | 0 | 0 | 0 | 0 | 111.1 | | |
| 183 | T | 26.1 | Very low | 29.3 | Very low | 126 Ų | 126 | 125.5 Ų | 125.5 | 77% | 0.773 | 78% | 0.781 | S | S | * | * | | | trans | -137.6 | -172.2 | -175.7 | 66.7 | 0 | 0 | 0 | 0 | 109 | | |
| 184 | P | 42.1 | Very low | 29 | Very low | 101 Ų | 101 | 126.6 Ų | 126.6 | 66% | 0.656 | 78% | 0.781 | S | S | * | * | | | cis | -131.2 | -174 | -11.3 | 41.9 | -26.2 | 0 | 0 | 0 | 113.5 | | |
| 185 | Q | 26.6 | Very low | 28.8 | Very low | 153 Ų | 153 | 129.8 Ų | 129.8 | 72% | 0.715 | 78% | 0.783 | S | S | * | * | | | | -177.4 | 139 | 122.1 | -94 | -53.2 | -25.2 | 0 | 0 | 112.6 | | |
| 186 | K | 27.7 | Very low | 28.9 | Very low | 183 Ų | 183 | 130.4 Ų | 130.4 | 80% | 0.796 | 78% | 0.776 | S | S | * | * | | | trans | 20.1 | 140.4 | 148.4 | -85.1 | -179.3 | 177.7 | 179.6 | 0 | 122.1 | | |
| 187 | T | 27.7 | Very low | 28.8 | Very low | 122 Ų | 122 | 136.4 Ų | 136.4 | 75% | 0.748 | 78% | 0.776 | S | S | * | * | | | cis | -155.6 | 155 | 4.4 | -60.3 | 0 | 0 | 0 | 0 | 110.6 | | |
| 188 | V | 25.2 | Very low | 28.8 | Very low | 129 Ų | 129 | 140.6 Ų | 140.6 | 78% | 0.782 | 77% | 0.774 | S | S | * | * | | | trans | -123.4 | 132.1 | 171.9 | 174.8 | 0 | 0 | 0 | 0 | 111.7 | I190 | V188-I190 HydrophobicContact CG1-CD1 4.43Š|
| 189 | A | 24.3 | Very low | 28.8 | Very low | 88 Ų | 88 | 140.9 Ų | 140.9 | 73% | 0.727 | 78% | 0.776 | S | S | * | * | | | trans | -176.1 | 122.6 | 152.2 | 0 | 0 | 0 | 0 | 0 | 108.4 | | |
| 190 | I | 25.1 | Very low | 28.8 | Very low | 156 Ų | 156 | 141.6 Ų | 141.6 | 80% | 0.8 | 78% | 0.775 | S | S | * | * | | | | 89.2 | 124.4 | 55.5 | -67 | 164.5 | 0 | 0 | 0 | 113.1 | V188 | V188-I190 HydrophobicContact CG1-CD1 4.43Š|
| 191 | K | 30.7 | Very low | 29 | Very low | 197 Ų | 197 | 141.4 Ų | 141.4 | 86% | 0.857 | 78% | 0.779 | S | S | * | * | | | trans | -59.6 | 152.9 | 173.2 | -65.8 | 170.7 | 173.2 | 171.9 | 0 | 111.1 | | |
| 192 | P | 35.2 | Very low | 28.2 | Very low | 115 Ų | 115 | 139.1 Ų | 139.1 | 75% | 0.747 | 78% | 0.776 | S | S | * | * | | | | -163.5 | 176.4 | 82 | 44.2 | -22.8 | 0 | 0 | 0 | 119.7 | | |
| 193 | S | 24.2 | Very low | 28.3 | Very low | 99 Ų | 99 | 137.8 Ų | 137.8 | 69% | 0.692 | 78% | 0.779 | S | S | * | * | | | trans | 55.4 | 115.7 | 136 | -71 | 0 | 0 | 0 | 0 | 125.6 | | |
| 194 | L | 28.1 | Very low | 28.3 | Very low | 146 Ų | 146 | 136 Ų | 136 | 76% | 0.764 | 78% | 0.777 | S | S | * | * | | | | 61.1 | 146.3 | 117.5 | -76.9 | 166.9 | 0 | 0 | 0 | 123.9 | | |
| 195 | K | 28.5 | Very low | 27.7 | Very low | 185 Ų | 185 | 138.2 Ų | 138.2 | 80% | 0.804 | 78% | 0.783 | S | S | * | * | | | trans | 77.7 | 151.7 | 156.2 | -70 | 158.4 | -178.6 | 177.2 | 0 | 117.8 | | |
| 196 | V | 27.3 | Very low | 27.7 | Very low | 120 Ų | 120 | 136.8 Ų | 136.8 | 73% | 0.727 | 79% | 0.785 | S | S | * | * | | | cis | -168 | 171.5 | -28.9 | 82.7 | 0 | 0 | 0 | 0 | 109.9 | | |
| 197 | R | 26.3 | Very low | 27.8 | Very low | 231 Ų | 231 | 135.4 Ų | 135.4 | 87% | 0.872 | 78% | 0.783 | S | S | * | * | | | trans | 72.4 | 164.2 | 172.1 | -73 | 161.7 | -176.3 | -169.3 | 0.9 | 117.3 | | |
| 198 | K | 27.2 | Very low | 27.8 | Very low | 197 Ų | 197 | 137 Ų | 137 | 86% | 0.857 | 78% | 0.782 | S | S | * | * | | | cis | 179.8 | 125.2 | -36.6 | 176.2 | 178.1 | 178.2 | -177.5 | 0 | 109.1 | | |
| 199 | A | 26.8 | Very low | 28.5 | Very low | 101 Ų | 101 | 138.7 Ų | 138.7 | 84% | 0.835 | 79% | 0.786 | S | S | * | * | | | trans | -153.1 | 163.5 | 163 | 0 | 0 | 0 | 0 | 0 | 110.6 | | |
| 200 | N | 29.1 | Very low | 29.3 | Very low | 155 Ų | 155 | 140 Ų | 140 | 83% | 0.829 | 79% | 0.787 | S | S | * | * | | | trans | -157.1 | 172.7 | -176.9 | -169.2 | 20.2 | 0 | 0 | 0 | 110.7 | | |
| 201 | S | 30.9 | Very low | 29.8 | Very low | 118 Ų | 118 | 139.6 Ų | 139.6 | 83% | 0.825 | 79% | 0.792 | S | S | * | * | | | trans | 69.8 | 153.6 | -174.8 | 76.5 | 0 | 0 | 0 | 0 | 115.1 | | |
| 202 | G | 26.5 | Very low | 29.9 | Very low | 67 Ų | 67 | 133.4 Ų | 133.4 | 69% | 0.691 | 78% | 0.784 | S | S | * | * | | | cis | -145.3 | 151.2 | -6.8 | 0 | 0 | 0 | 0 | 0 | 109.4 | | |
| 203 | A | 28.2 | Very low | 29.6 | Very low | 104 Ų | 104 | 135.6 Ų | 135.6 | 86% | 0.86 | 79% | 0.788 | S | S | * | * | | | | 90.5 | 109.4 | 75 | 0 | 0 | 0 | 0 | 0 | 114.4 | | |
| 204 | A | 27.7 | Very low | 29.9 | Very low | 88 Ų | 88 | 136.1 Ų | 136.1 | 73% | 0.727 | 79% | 0.788 | S | S | * | * | | | trans | 78.3 | 137.9 | 148.6 | 0 | 0 | 0 | 0 | 0 | 122.9 | | |
| 205 | N | 28.1 | Very low | 30 | Very low | 148 Ų | 148 | 136 Ų | 136 | 79% | 0.791 | 79% | 0.787 | S | S | * | * | | | trans | 93.3 | 118.4 | 134.7 | -75.2 | -6 | 0 | 0 | 0 | 124.5 | | |
| 206 | V | 28 | Very low | 30.7 | Very low | 123 Ų | 123 | 133 Ų | 133 | 75% | 0.745 | 79% | 0.787 | S | S | * | * | | | | 90.6 | 149.2 | 126.6 | 171.2 | 0 | 0 | 0 | 0 | 119.4 | | |
| 207 | M | 28.8 | Very low | 30.9 | Very low | 154 Ų | 154 | 133.8 Ų | 133.8 | 76% | 0.759 | 79% | 0.786 | S | S | * | * | | | trans | -64.2 | 155.1 | 179.7 | -50.3 | 107.3 | 69.1 | 0 | 0 | 112.9 | | |
| 208 | Q | 28.3 | Very low | 31 | Very low | 156 Ų | 156 | 129.3 Ų | 129.3 | 73% | 0.729 | 78% | 0.779 | S | S | * | * | | | | -163.2 | 144.2 | 119.8 | -145.4 | 70.6 | -35.6 | 0 | 0 | 111.4 | | |
| 209 | L | 40 | Very low | 31.1 | Very low | 164 Ų | 164 | 126.3 Ų | 126.3 | 86% | 0.859 | 78% | 0.777 | S | S | * | * | | | trans | -113.8 | 132.3 | 153.2 | -110.3 | 79 | 0 | 0 | 0 | 107.8 | | |
| 210 | P | 40 | Very low | 31.2 | Very low | 116 Ų | 116 | 125.1 Ų | 125.1 | 75% | 0.753 | 77% | 0.768 | S | S | * | * | | | trans | -107.7 | 161.8 | 159.3 | -2.3 | 23.8 | 0 | 0 | 0 | 112.3 | | |
| 211 | T | 35.5 | Very low | 31.3 | Very low | 147 Ų | 147 | 124.6 Ų | 124.6 | 90% | 0.902 | 77% | 0.77 | S | S | * | * | | | trans | -123.7 | 164.2 | -169.3 | 46.4 | 0 | 0 | 0 | 0 | 113.2 | | |
| 212 | G | 33.3 | Very low | 31.2 | Very low | 67 Ų | 67 | 122 Ų | 122 | 69% | 0.691 | 76% | 0.762 | S | S | * | * | | | trans | 146.1 | 145.1 | 160.7 | 0 | 0 | 0 | 0 | 0 | 115.1 | | |
| 213 | L | 28.6 | Very low | 31.5 | Very low | 161 Ų | 161 | 127.7 Ų | 127.7 | 84% | 0.843 | 77% | 0.771 | S | S | * | * | | | cis | -156.6 | 145.9 | -6.3 | -93.5 | 173.6 | 0 | 0 | 0 | 110.9 | | |
| 214 | T | 30.1 | Very low | 31.8 | Very low | 111 Ų | 111 | 128.7 Ų | 128.7 | 68% | 0.681 | 77% | 0.766 | S | S | * | * | | | trans | 45.7 | 123 | 150 | 53.2 | 0 | 0 | 0 | 0 | 121.8 | | |
| 215 | L | 31.8 | Very low | 31.8 | Very low | 144 Ų | 144 | 128 Ų | 128 | 75% | 0.754 | 77% | 0.767 | S | S | * | * | | | | 75.8 | 145 | 67 | -73.8 | 175.9 | 0 | 0 | 0 | 114.3 | | |
| 216 | P | 41.8 | Very low | 31.8 | Very low | 122 Ų | 122 | 124.6 Ų | 124.6 | 79% | 0.792 | 77% | 0.767 | S | S | * | * | | | cis | -131.3 | -165.5 | 44.3 | 15.7 | 11.7 | 0 | 0 | 0 | 114.8 | | |
| 217 | L | 32.7 | Very low | 31.7 | Very low | 136 Ų | 136 | 124.4 Ų | 124.4 | 71% | 0.712 | 77% | 0.772 | S | S | * | * | | | | -170.1 | 162.7 | -50.9 | -113.6 | 169.7 | 0 | 0 | 0 | 109.9 | | |
| 218 | N | 27.9 | Very low | 32.7 | Very low | 137 Ų | 137 | 123 Ų | 123 | 73% | 0.733 | 77% | 0.773 | S | S | * | * | | | trans | 105.7 | 117 | 166.9 | -65.3 | -4.1 | 0 | 0 | 0 | 117.2 | | |
| 219 | V | 29.6 | Very low | 32.7 | Very low | 133 Ų | 133 | 120.9 Ų | 120.9 | 81% | 0.806 | 77% | 0.771 | S | S | * | * | | | | 91.9 | 130.7 | 56.3 | 164.1 | 0 | 0 | 0 | 0 | 110.5 | | |
| 220 | A | 28.7 | Very low | 32.1 | Very low | 77 Ų | 77 | 118.6 Ų | 118.6 | 64% | 0.636 | 76% | 0.764 | S | S | * | * | | | cis | -147.3 | 167.5 | 24.4 | 0 | 0 | 0 | 0 | 0 | 116.5 | | |
| 221 | T | 30.6 | Very low | 31.5 | Very low | 144 Ų | 144 | 118.6 Ų | 118.6 | 88% | 0.883 | 76% | 0.762 | S | S | * | * | | | trans | 22.4 | 147.6 | 144.1 | 56.4 | 0 | 0 | 0 | 0 | 123.1 | | |
| 222 | G | 28.7 | Very low | 31 | Very low | 64 Ų | 64 | 119.2 Ų | 119.2 | 66% | 0.66 | 76% | 0.755 | S | S | * | * | | | cis | 157.9 | 177.1 | 0.1 | 0 | 0 | 0 | 0 | 0 | 113.4 | | |
| 223 | E | 32.3 | Very low | 30.8 | Very low | 185 Ų | 185 | 121.7 Ų | 121.7 | 86% | 0.864 | 76% | 0.757 | S | S | * | * | | | trans | 66.4 | 150.9 | 166.4 | -56.2 | -77.3 | 73.7 | 0 | 0 | 117.7 | | |
| 224 | V | 34.5 | Very low | 30.9 | Very low | 125 Ų | 125 | 118.2 Ų | 118.2 | 76% | 0.758 | 75% | 0.751 | S | S | * | * | | | cis | -149.3 | 169.9 | -9 | 104.3 | 0 | 0 | 0 | 0 | 110.8 | | |
| 225 | G | 28.5 | Very low | 30.7 | Very low | 73 Ų | 73 | 117.6 Ų | 117.6 | 75% | 0.753 | 76% | 0.757 | S | S | * | * | | | trans | -76.5 | -162.3 | -172.7 | 0 | 0 | 0 | 0 | 0 | 118.3 | | |
| 226 | G | 28.9 | Very low | 30.7 | Very low | 78 Ų | 78 | 116.2 Ų | 116.2 | 80% | 0.804 | 76% | 0.759 | S | S | * | * | | | cis | -167.1 | -165.4 | 8.5 | 0 | 0 | 0 | 0 | 0 | 115.4 | | |
| 227 | S | 26.2 | Very low | 31.5 | Very low | 119 Ų | 119 | 116 Ų | 116 | 83% | 0.832 | 76% | 0.758 | S | S | * | * | | | trans | -107.9 | -172.7 | -173.5 | -45.3 | 0 | 0 | 0 | 0 | 111.9 | | |
| 228 | P | 48.8 | Very low | 32.1 | Very low | 123 Ų | 123 | 115.1 Ų | 115.1 | 80% | 0.799 | 76% | 0.76 | S | S | * | * | | | cis | -116.8 | -126.4 | -1.1 | 22.9 | 4.5 | 0 | 0 | 0 | 112.6 | | |
| 229 | V | 28.3 | Very low | 32.3 | Very low | 113 Ų | 113 | 114.7 Ų | 114.7 | 69% | 0.685 | 76% | 0.763 | S | S | * | * | | | cis | -161.7 | 135.2 | 5.3 | 95.7 | 0 | 0 | 0 | 0 | 106.7 | | |
| 230 | V | 28.3 | Very low | 32.7 | Very low | 116 Ų | 116 | 114.5 Ų | 114.5 | 70% | 0.703 | 76% | 0.764 | S | S | * | * | | | | 62.1 | 130.8 | 89.9 | 164.2 | 0 | 0 | 0 | 0 | 114.1 | | |
| 231 | T | 26 | Very low | 32.8 | Very low | 116 Ų | 116 | 114.5 Ų | 114.5 | 71% | 0.712 | 77% | 0.772 | S | S | * | * | | | cis | -168.8 | 169.1 | -2.3 | 25.7 | 0 | 0 | 0 | 0 | 112.2 | | |
| 232 | E | 25.8 | Very low | 32.7 | Very low | 160 Ų | 160 | 118.2 Ų | 118.2 | 75% | 0.748 | 78% | 0.776 | S | S | * | * | | | trans | 67.2 | 131.4 | 150.6 | -67.3 | -126.6 | 70.6 | 0 | 0 | 120.3 | | |
| 233 | T | 28.5 | Very low | 32.7 | Very low | 119 Ų | 119 | 118.9 Ų | 118.9 | 73% | 0.73 | 78% | 0.782 | S | S | * | * | | | | 77.8 | 132.5 | 75.4 | -39.9 | 0 | 0 | 0 | 0 | 111.8 | | |
| 234 | A | 30.5 | Very low | 32.7 | Very low | 88 Ų | 88 | 120 Ų | 120 | 73% | 0.727 | 78% | 0.779 | S | S | * | * | | | cis | -157.3 | -174.3 | 20.9 | 0 | 0 | 0 | 0 | 0 | 115 | | |
| 235 | A | 26.8 | Very low | 32.5 | Very low | 98 Ų | 98 | 124.7 Ų | 124.7 | 81% | 0.81 | 78% | 0.783 | S | S | * | * | | | trans | 82.3 | 164.3 | 150.4 | 0 | 0 | 0 | 0 | 0 | 121.8 | | |
| 236 | S | 30.5 | Very low | 32.6 | Very low | 114 Ų | 114 | 125 Ų | 125 | 80% | 0.797 | 79% | 0.786 | S | S | * | * | | | trans | -170.4 | 177.2 | -167.1 | -74.9 | 0 | 0 | 0 | 0 | 109.3 | | |
| 237 | P | 58.6 | Low | 32.9 | Very low | 119 Ų | 119 | 132.6 Ų | 132.6 | 77% | 0.773 | 79% | 0.79 | S | S | * | * | | | cis | -114 | -111.4 | 2.9 | 32.2 | -9.5 | 0 | 0 | 0 | 112 | | |
| 238 | P | 46.5 | Very low | 33.2 | Very low | 116 Ų | 116 | 135.8 Ų | 135.8 | 75% | 0.753 | 79% | 0.789 | S | S | * | * | | | cis | -112.6 | -127.6 | 1.4 | 43.5 | -30 | 0 | 0 | 0 | 115 | | |
| 239 | T | 31.3 | Very low | 32.5 | Very low | 128 Ų | 128 | 139.2 Ų | 139.2 | 79% | 0.785 | 79% | 0.792 | S | S | * | * | | | trans | -142.9 | 173 | -173.8 | 59.6 | 0 | 0 | 0 | 0 | 109.3 | | |
| 240 | P | 39.5 | Very low | 32.7 | Very low | 129 Ų | 129 | 142.9 Ų | 142.9 | 84% | 0.838 | 80% | 0.799 | S | S | * | * | | | cis | -145.5 | -170.2 | 18.8 | 44.3 | -24.1 | 0 | 0 | 0 | 116.8 | | |
| 241 | G | 29.1 | Very low | 32.7 | Very low | 77 Ų | 77 | 143.8 Ų | 143.8 | 79% | 0.794 | 80% | 0.804 | S | S | * | * | | | trans | 156.8 | 130.4 | 157.4 | 0 | 0 | 0 | 0 | 0 | 117.2 | | |
| 242 | K | 29 | Very low | 32.9 | Very low | 223 Ų | 223 | 144.4 Ų | 144.4 | 97% | 0.97 | 81% | 0.807 | S | S | * | * | | | trans | -115.1 | 139.6 | 178.8 | -61.6 | 167.4 | -178.3 | 166.9 | 0 | 112 | | |
| 243 | G | 29.4 | Very low | 33.4 | Very low | 77 Ų | 77 | 144.1 Ų | 144.1 | 79% | 0.794 | 81% | 0.81 | S | S | * | * | | | trans | 159.1 | 123.7 | 165.4 | 0 | 0 | 0 | 0 | 0 | 112.1 | | |
| 244 | R | 32.2 | Very low | 34.1 | Very low | 210 Ų | 210 | 144.6 Ų | 144.6 | 79% | 0.792 | 82% | 0.815 | S | S | * | * | | | cis | 91.5 | 110.7 | 29.1 | -150.5 | -166.1 | -158.6 | -134.1 | 4.6 | 114.6 | | |
| 245 | R | 30.3 | Very low | 34.1 | Very low | 222 Ų | 222 | 144.8 Ų | 144.8 | 84% | 0.838 | 82% | 0.817 | S | S | * | * | | | trans | 85.4 | 140.3 | 174.7 | -60.2 | 175 | -88.3 | -143.8 | 1.7 | 115.5 | | |
| 246 | G | 29.6 | Very low | 34.3 | Very low | 80 Ų | 80 | 148.5 Ų | 148.5 | 83% | 0.825 | 82% | 0.817 | S | S | * | * | | | trans | -133.9 | 176.8 | -178.4 | 0 | 0 | 0 | 0 | 0 | 113.4 | | |
| 247 | R | 35.6 | Very low | 34.9 | Very low | 237 Ų | 237 | 148.8 Ų | 148.8 | 89% | 0.894 | 82% | 0.816 | S | S | * | * | | | trans | -153.3 | 133.5 | -172.2 | -173.4 | 168.8 | 172.1 | 159.3 | -4.9 | 115.1 | | |
| 248 | K | 31.7 | Very low | 34.7 | Very low | 186 Ų | 186 | 147.9 Ų | 147.9 | 81% | 0.809 | 81% | 0.811 | S | S | * | * | | | trans | 6.7 | 115.8 | 157 | -57.5 | 175.2 | 179.4 | 179.5 | 0 | 121.7 | | |
| 249 | K | 34.1 | Very low | 34.7 | Very low | 196 Ų | 196 | 148.4 Ų | 148.4 | 85% | 0.852 | 81% | 0.814 | S | S | * | * | | | | 66.5 | 138.2 | 103.2 | -150.5 | 179.3 | -171.9 | 178.5 | 0 | 122.3 | | |
| 250 | K | 32.7 | Very low | 34.6 | Very low | 190 Ų | 190 | 146.9 Ų | 146.9 | 83% | 0.826 | 81% | 0.814 | S | S | * | * | | | trans | 75.6 | 138.6 | 177.9 | -63.1 | -167.6 | 171.1 | -170 | 0 | 113.7 | | |
| 251 | V | 29.7 | Very low | 34.3 | Very low | 134 Ų | 134 | 150 Ų | 150 | 81% | 0.812 | 82% | 0.818 | S | S | * | * | | | | -171.4 | 154.6 | 70.8 | 152.6 | 0 | 0 | 0 | 0 | 107.4 | | |
| 252 | V | 30.3 | Very low | 34.4 | Very low | 129 Ų | 129 | 151.2 Ų | 151.2 | 78% | 0.782 | 82% | 0.82 | S | S | * | * | | | cis | -162 | -177.4 | -11.7 | 138.3 | 0 | 0 | 0 | 0 | 108.1 | | |
| 253 | L | 35.1 | Very low | 34.3 | Very low | 155 Ų | 155 | 145.4 Ų | 145.4 | 81% | 0.812 | 81% | 0.814 | S | S | * | * | | | trans | -106.3 | 154.6 | 174.3 | -69.8 | 168.2 | 0 | 0 | 0 | 112.2 | | |
| 254 | P | 43 | Very low | 34.4 | Very low | 128 Ų | 128 | 147.3 Ų | 147.3 | 83% | 0.831 | 82% | 0.815 | S | S | * | * | | | | -151.1 | -160.4 | 96.1 | 39.3 | -20.3 | 0 | 0 | 0 | 114 | | |
| 255 | A | 30.8 | Very low | 35.2 | Very low | 93 Ų | 93 | 143.1 Ų | 143.1 | 77% | 0.769 | 82% | 0.815 | S | S | * | * | | | | -167.8 | 125.6 | -73.7 | 0 | 0 | 0 | 0 | 0 | 113 | | |
| 256 | E | 31.3 | Very low | 35.6 | Very low | 175 Ų | 175 | 138 Ų | 138 | 82% | 0.818 | 81% | 0.811 | S | S | * | * | | | trans | 56.4 | 175.7 | 164.6 | -95.7 | -168.7 | 86.3 | 0 | 0 | 119.6 | | |
| 257 | P | 42.9 | Very low | 36.6 | Very low | 120 Ų | 120 | 139.7 Ų | 139.7 | 78% | 0.779 | 81% | 0.807 | S | S | * | * | | | cis | -128.2 | -175.7 | 11.5 | 41.5 | -22.6 | 0 | 0 | 0 | 117.3 | | |
| 258 | P | 53.7 | Low | 36.3 | Very low | 100 Ų | 100 | 136.8 Ų | 136.8 | 65% | 0.649 | 80% | 0.803 | S | S | * | * | | | trans | -120.7 | 170.7 | -169.1 | 43 | -33.3 | 0 | 0 | 0 | 117.9 | | |
| 259 | P | 47.2 | Very low | 36.1 | Very low | 128 Ų | 128 | 136.4 Ų | 136.4 | 83% | 0.831 | 80% | 0.804 | S | S | * | * | | | trans | -134.1 | 176.5 | 140.9 | 13.9 | 9.6 | 0 | 0 | 0 | 112 | | |
| 260 | A | 30.2 | Very low | 35.7 | Very low | 95 Ų | 95 | 136 Ų | 136 | 79% | 0.785 | 81% | 0.808 | S | S | * | * | | | cis | -165.2 | -160 | -19.9 | 0 | 0 | 0 | 0 | 0 | 108.8 | | |
| 261 | Q | 33 | Very low | 35.6 | Very low | 195 Ų | 195 | 135.8 Ų | 135.8 | 91% | 0.911 | 81% | 0.81 | S | S | * | * | | | trans | -147.2 | 155.6 | 176.3 | -61 | 179.9 | 2.4 | 0 | 0 | 112.5 | | |
| 262 | A | 29.8 | Very low | 35.4 | Very low | 103 Ų | 103 | 135 Ų | 135 | 85% | 0.851 | 81% | 0.806 | S | S | * | * | | | trans | 175.2 | 157.9 | 142.5 | 0 | 0 | 0 | 0 | 0 | 116.4 | | |
| 263 | A | 27.3 | Very low | 35.2 | Very low | 100 Ų | 100 | 135.6 Ų | 135.6 | 83% | 0.826 | 80% | 0.803 | S | S | * | * | | | trans | 85 | 149.7 | 145.4 | 0 | 0 | 0 | 0 | 0 | 124.3 | | |
| 264 | S | 30.8 | Very low | 34.8 | Very low | 117 Ų | 117 | 135.5 Ų | 135.5 | 82% | 0.818 | 80% | 0.802 | S | S | * | * | | | trans | -166.3 | 172.3 | 176.4 | -73 | 0 | 0 | 0 | 0 | 107.9 | | |
| 265 | P | 49.2 | Very low | 34.3 | Very low | 123 Ų | 123 | 136.9 Ų | 136.9 | 80% | 0.799 | 80% | 0.801 | S | S | * | * | | | cis | -108.3 | -110.4 | -0.3 | 31.3 | -9.1 | 0 | 0 | 0 | 111.8 | | |
| 266 | P | 39.8 | Very low | 34.2 | Very low | 115 Ų | 115 | 141.1 Ų | 141.1 | 75% | 0.747 | 81% | 0.805 | S | S | * | * | | | cis | -115.3 | -170 | -0.3 | 44.5 | -30.7 | 0 | 0 | 0 | 114.9 | | |
| 267 | P | 50.8 | Low | 34.2 | Very low | 114 Ų | 114 | 137.9 Ų | 137.9 | 74% | 0.74 | 81% | 0.808 | S | S | * | * | | | trans | -121.6 | -169.3 | -179.3 | 42.9 | -30.1 | 0 | 0 | 0 | 116.5 | | |
| 268 | E | 28.4 | Very low | 33.5 | Very low | 176 Ų | 176 | 135.7 Ų | 135.7 | 82% | 0.822 | 81% | 0.807 | S | S | * | * | | | trans | 77.6 | 156.7 | -179.9 | -45.3 | -157.3 | 132.2 | 0 | 0 | 115.8 | | |
| 269 | Q | 27 | Very low | 32.6 | Very low | 178 Ų | 178 | 137.7 Ų | 137.7 | 83% | 0.832 | 81% | 0.813 | S | S | * | * | | | cis | -130 | 174.2 | 9.2 | -74.1 | 179.1 | -23.4 | 0 | 0 | 113.2 | | |
| 270 | M | 26.5 | Very low | 32 | Very low | 187 Ų | 187 | 137.9 Ų | 137.9 | 92% | 0.921 | 81% | 0.806 | S | S | * | * | | | trans | -85.8 | 147.4 | 163.5 | -79.6 | 179.5 | 163.5 | 0 | 0 | 110.8 | | |
| 271 | E | 30.8 | Very low | 32.1 | Very low | 187 Ų | 187 | 141.3 Ų | 141.3 | 87% | 0.874 | 81% | 0.81 | S | S | * | * | | | trans | -140.5 | 141.3 | 157.7 | -158.4 | 168 | -151.9 | 0 | 0 | 110.6 | | |
| 272 | T | 24.5 | Very low | 31.9 | Very low | 117 Ų | 117 | 140.2 Ų | 140.2 | 72% | 0.718 | 81% | 0.808 | S | S | * | * | | | trans | -105.8 | 121.6 | -171.2 | -61.8 | 0 | 0 | 0 | 0 | 110.3 | L274 | T272-L274 HydrophobicContact CG2-CD1 4.12Š|
| 273 | I | 27.3 | Very low | 31.8 | Very low | 141 Ų | 141 | 143.9 Ų | 143.9 | 72% | 0.723 | 81% | 0.808 | S | S | * | * | | | trans | -119.9 | 111.9 | 170.3 | -57.7 | -179.6 | 0 | 0 | 0 | 108.5 | I275 | I273-I275 HydrophobicContact CG2-CD1 4.4Å; I273-I275 HydrophobicContact CG2-CG1 4.03Å |
| 274 | L | 27.3 | Very low | 31.8 | Very low | 154 Ų | 154 | 143.7 Ų | 143.7 | 81% | 0.806 | 81% | 0.806 | S | S | * | * | | | trans | -78.4 | 132.2 | 161 | -73.5 | 93.9 | 0 | 0 | 0 | 108.6 | T272 | T272-L274 HydrophobicContact CG2-CD1 4.12Š|
| 275 | I | 31.2 | Very low | 31.7 | Very low | 157 Ų | 157 | 140.9 Ų | 140.9 | 81% | 0.805 | 80% | 0.796 | S | S | * | * | | | trans | -128.8 | 138.1 | 154.7 | -61.6 | -178.3 | 0 | 0 | 0 | 106.4 | I273 | I273-I275 HydrophobicContact CG2-CD1 4.4Å; I273-I275 HydrophobicContact CG2-CG1 4.03Å |
| 276 | E | 30 | Very low | 31.3 | Very low | 182 Ų | 182 | 142.9 Ų | 142.9 | 85% | 0.85 | 80% | 0.8 | S | S | * | * | | | trans | -73.8 | 160.8 | -165.7 | -61.4 | 174.9 | 114 | 0 | 0 | 113.2 | G278 | E276-G278 PolarHBondContact O-N 3.35Š|
| 277 | A | 29.6 | Very low | 31.1 | Very low | 107 Ų | 107 | 144.7 Ų | 144.7 | 88% | 0.884 | 80% | 0.803 | S | S | * | * | | | trans | -74.4 | 86.2 | -175.9 | 0 | 0 | 0 | 0 | 0 | 112.1 | | |
| 278 | G | 29.5 | Very low | 30.3 | Very low | 73 Ų | 73 | 147 Ų | 147 | 75% | 0.753 | 81% | 0.809 | S | S | * | * | | | trans | -72.5 | 131 | 162.7 | 0 | 0 | 0 | 0 | 0 | 111.4 | E276 | E276-G278 PolarHBondContact O-N 3.35Š|
| 279 | D | 35.3 | Very low | 30.5 | Very low | 143 Ų | 143 | 146.6 Ų | 146.6 | 77% | 0.765 | 81% | 0.811 | S | S | * | * | | | trans | -62.3 | 134.6 | -174.1 | -104.3 | -63.1 | 0 | 0 | 0 | 114.6 | | |
| 280 | N | 33.5 | Very low | 30.8 | Very low | 131 Ų | 131 | 145.9 Ų | 145.9 | 70% | 0.701 | 81% | 0.811 | S | S | * | * | | | trans | 51.2 | 105.2 | 154.4 | -56.3 | -64 | 0 | 0 | 0 | 119.8 | | |
| 281 | I | 31.7 | Very low | 31 | Very low | 168 Ų | 168 | 143.3 Ų | 143.3 | 86% | 0.862 | 81% | 0.806 | S | S | * | * | | | | 179.5 | 122.7 | 123.7 | -90.9 | 149.4 | 0 | 0 | 0 | 109.6 | | |
| 282 | I | 29.3 | Very low | 31 | Very low | 171 Ų | 171 | 143.5 Ų | 143.5 | 88% | 0.877 | 81% | 0.807 | S | S | * | * | | | trans | -142.8 | 141.7 | 152.9 | -49.1 | -177.1 | 0 | 0 | 0 | 109.9 | | |
| 283 | Q | 28.6 | Very low | 31.3 | Very low | 181 Ų | 181 | 143.2 Ų | 143.2 | 85% | 0.846 | 81% | 0.81 | S | S | * | * | | | trans | -60.8 | 166.4 | 168.9 | -82.1 | -176.9 | -22.2 | 0 | 0 | 114.3 | | |
| 284 | A | 26.9 | Very low | 32 | Very low | 95 Ų | 95 | 142.8 Ų | 142.8 | 79% | 0.785 | 82% | 0.816 | S | S | * | * | | | cis | -168.1 | 162 | -13.5 | 0 | 0 | 0 | 0 | 0 | 110.2 | | |
| 285 | G | 28.6 | Very low | 32.2 | Very low | 59 Ų | 59 | 138.9 Ų | 138.9 | 61% | 0.608 | 81% | 0.813 | S | S | * | * | | | trans | 96.7 | 165.4 | 166.9 | 0 | 0 | 0 | 0 | 0 | 115 | | |
| 286 | N | 41.2 | Very low | 32.2 | Very low | 165 Ų | 165 | 140.2 Ų | 140.2 | 88% | 0.882 | 82% | 0.816 | S | S | * | * | S | Bend | trans | 49 | 59.9 | -175.5 | -71.1 | -0.9 | 0 | 0 | 0 | 114 | L288 | N286-L288 PolarHBondContact O-N 2.93Å; N286-L288 VanDerWaalsContact O-N 3.12Å |
| 287 | N | 35.4 | Very low | 32.4 | Very low | 152 Ų | 152 | 136.1 Ų | 136.1 | 81% | 0.813 | 81% | 0.805 | S | S | * | * | | | trans | -47.5 | 112.8 | -177.3 | -53.2 | 2.9 | 0 | 0 | 0 | 113.4 | | |
| 288 | L | 33.7 | Very low | 32.6 | Very low | 164 Ų | 164 | 137 Ų | 137 | 86% | 0.859 | 80% | 0.801 | S | S | * | * | | | trans | -100.4 | 136.3 | 150.7 | -71.8 | 174.5 | 0 | 0 | 0 | 108 | N286 | N286-L288 PolarHBondContact O-N 2.93Å; N286-L288 VanDerWaalsContact O-N 3.12Å |
| 289 | L | 32.2 | Very low | 32.7 | Very low | 167 Ų | 167 | 142.1 Ų | 142.1 | 87% | 0.874 | 81% | 0.808 | S | S | * | * | | | trans | -104 | 127.9 | 169.3 | -75.6 | 164.8 | 0 | 0 | 0 | 107.8 | | |
| 290 | I | 33.7 | Very low | 32.4 | Very low | 162 Ų | 162 | 141.4 Ų | 141.4 | 83% | 0.831 | 81% | 0.809 | S | S | * | * | | | trans | -127.4 | 127 | 163.8 | -61.8 | -177.8 | 0 | 0 | 0 | 107.1 | | |
| 291 | V | 31.1 | Very low | 32.3 | Very low | 133 Ų | 133 | 143.4 Ų | 143.4 | 81% | 0.806 | 81% | 0.814 | S | S | * | * | | | trans | -92.1 | 133.1 | 176.6 | 174.4 | 0 | 0 | 0 | 0 | 108.2 | | |
| 292 | Q | 30.3 | Very low | 32.2 | Very low | 191 Ų | 191 | 143.3 Ų | 143.3 | 89% | 0.893 | 81% | 0.81 | S | S | * | * | | | trans | -74.4 | 140.6 | 171.8 | -73.6 | -176 | -12.2 | 0 | 0 | 111.5 | | |
| 293 | S | 31.8 | Very low | 32.3 | Very low | 112 Ų | 112 | 141.5 Ų | 141.5 | 78% | 0.783 | 81% | 0.806 | S | S | * | * | | | trans | -149.9 | 154.4 | 146.2 | 51.8 | 0 | 0 | 0 | 0 | 108.8 | | |
| 294 | P | 42 | Very low | 32.3 | Very low | 132 Ų | 132 | 140.7 Ų | 140.7 | 86% | 0.857 | 80% | 0.802 | S | S | * | * | | | trans | -110.1 | 160.7 | -148.3 | 39.3 | -34.6 | 0 | 0 | 0 | 116.2 | | |
| 295 | G | 31.2 | Very low | 32.3 | Very low | 71 Ų | 71 | 142.8 Ų | 142.8 | 73% | 0.732 | 81% | 0.805 | S | S | * | * | | | trans | 113.6 | 111.9 | 144.8 | 0 | 0 | 0 | 0 | 0 | 117.4 | | |
| 296 | Q | 29.5 | Very low | 32.3 | Very low | 186 Ų | 186 | 145.6 Ų | 145.6 | 87% | 0.869 | 81% | 0.81 | S | S | * | * | | | trans | 175.9 | 156.6 | 133.2 | -90.2 | -60.2 | -53.9 | 0 | 0 | 108.1 | | |
| 297 | P | 35.9 | Very low | 31.9 | Very low | 95 Ų | 95 | 146.1 Ų | 146.1 | 62% | 0.617 | 81% | 0.807 | S | S | * | * | | | trans | -86.8 | 164.9 | -162 | 34.4 | -35.5 | 0 | 0 | 0 | 114.9 | | |
| 298 | P | 33.8 | Very low | 31.7 | Very low | 126 Ų | 126 | 145 Ų | 145 | 82% | 0.818 | 81% | 0.808 | S | S | * | * | | | trans | -80.3 | 154.4 | -173.5 | 33.2 | -36.9 | 0 | 0 | 0 | 113.8 | | |
| 299 | M | 29.8 | Very low | 31.3 | Very low | 181 Ų | 181 | 146.3 Ų | 146.3 | 89% | 0.892 | 81% | 0.807 | S | S | * | * | | | trans | -129.1 | 129.4 | 165.8 | 48.8 | -165.9 | 68.1 | 0 | 0 | 109.6 | | |
| 300 | V | 30.9 | Very low | 31.1 | Very low | 128 Ų | 128 | 144.7 Ų | 144.7 | 78% | 0.776 | 80% | 0.804 | S | S | * | * | | | trans | -92.3 | 127.7 | -168.8 | 177.4 | 0 | 0 | 0 | 0 | 110.2 | | |
| 301 | Q | 30.4 | Very low | 30.7 | Very low | 173 Ų | 173 | 145.5 Ų | 145.5 | 81% | 0.808 | 81% | 0.805 | S | S | * | * | | | trans | -143.6 | 116.9 | 159.5 | -165.3 | 62 | 56 | 0 | 0 | 110.1 | | |
| 302 | Q | 29.7 | Very low | 30.6 | Very low | 166 Ų | 166 | 144.6 Ų | 144.6 | 78% | 0.776 | 80% | 0.804 | S | S | * | * | | | trans | -77.8 | 141.1 | 173.2 | -66.9 | 170.3 | -47.1 | 0 | 0 | 110.2 | | |
| 303 | V | 31.8 | Very low | 30.5 | Very low | 132 Ų | 132 | 144.9 Ų | 144.9 | 80% | 0.8 | 81% | 0.805 | S | S | * | * | | | trans | -135.5 | 126.7 | 160.9 | -179.2 | 0 | 0 | 0 | 0 | 108.2 | | |
| 304 | Q | 27.8 | Very low | 30.3 | Very low | 164 Ų | 164 | 147.5 Ų | 147.5 | 77% | 0.766 | 81% | 0.81 | S | S | * | * | | | trans | -70.7 | 131.3 | -174.9 | -149.9 | 83 | 7.7 | 0 | 0 | 111.4 | V306 | Q304-V306 HydrophobicContact CG-CG2 4.45Å; Q304-V306 PolarHBondContact O-N 2.92Å |
| 305 | V | 26.6 | Very low | 29.6 | Very low | 139 Ų | 139 | 148.6 Ų | 148.6 | 84% | 0.842 | 81% | 0.807 | S | S | * | * | | | trans | -84.1 | 102.8 | 167.7 | 178 | 0 | 0 | 0 | 0 | 109.1 | | |
| 306 | V | 30.1 | Very low | 29.4 | Very low | 119 Ų | 119 | 153.2 Ų | 153.2 | 72% | 0.721 | 81% | 0.809 | S | S | * | * | | | trans | -95.5 | 122.7 | 170.9 | -179.9 | 0 | 0 | 0 | 0 | 109.1 | Q304 | Q304-V306 HydrophobicContact CG-CG2 4.45Å; Q304-V306 PolarHBondContact O-N 2.92Å |
| 307 | Q | 32.6 | Very low | 29.5 | Very low | 176 Ų | 176 | 151.8 Ų | 151.8 | 82% | 0.822 | 81% | 0.806 | S | S | * | * | | | trans | -77.3 | 127.7 | 174.8 | -64.1 | 178.9 | 47.9 | 0 | 0 | 110.7 | K309 | Q307-K309 PolarHBondContact O-N 2.8Š|
| 308 | P | 31.7 | Very low | 29.5 | Very low | 127 Ų | 127 | 153 Ų | 153 | 83% | 0.825 | 81% | 0.814 | S | S | * | * | | | trans | -75.7 | 115 | 164.1 | 30 | -30.8 | 0 | 0 | 0 | 109.7 | | |
| 309 | K | 24.4 | Very low | 29.6 | Very low | 192 Ų | 192 | 155.8 Ų | 155.8 | 84% | 0.835 | 82% | 0.816 | S | S | * | * | | | trans | -72.8 | 145.6 | 173.3 | -167.9 | -179.9 | -179.3 | -172.1 | 0 | 110 | Q307 E311 | Q307-K309 PolarHBondContact O-N 2.8Å; K309-E311 PolarHBondContact O-N 3.38Å |
| 310 | T | 28.9 | Very low | 29.7 | Very low | 133 Ų | 133 | 156.4 Ų | 156.4 | 82% | 0.816 | 82% | 0.817 | S | S | * | * | | | trans | -70.6 | 122.2 | -177.9 | -30.8 | 0 | 0 | 0 | 0 | 112 | | |
| 311 | E | 25.5 | Very low | 29.6 | Very low | 180 Ų | 180 | 154.4 Ų | 154.4 | 84% | 0.841 | 81% | 0.813 | S | S | * | * | | | trans | -151.1 | 144.9 | 158.3 | -122.1 | 168.8 | 138 | 0 | 0 | 111.5 | K309 | K309-E311 PolarHBondContact O-N 3.38Š|
| 312 | S | 26.9 | Very low | 29.7 | Very low | 113 Ų | 113 | 152.9 Ų | 152.9 | 79% | 0.79 | 81% | 0.81 | S | S | * | * | | | trans | -106.4 | 124.1 | -174.8 | -62.6 | 0 | 0 | 0 | 0 | 110.3 | | |
| 313 | Q | 29.3 | Very low | 30 | Very low | 197 Ų | 197 | 154 Ų | 154 | 92% | 0.921 | 81% | 0.812 | S | S | * | * | | | trans | -148 | 158 | 162 | -119.4 | 166 | 59.7 | 0 | 0 | 114.1 | | |
| 314 | L | 26.5 | Very low | 30 | Very low | 168 Ų | 168 | 153.7 Ų | 153.7 | 88% | 0.88 | 81% | 0.811 | S | S | * | * | | | trans | -117.9 | 111.5 | -156 | 171.7 | 84 | 0 | 0 | 0 | 110.4 | | |
| 315 | I | 28.5 | Very low | 30.3 | Very low | 155 Ų | 155 | 151.9 Ų | 151.9 | 80% | 0.795 | 81% | 0.81 | S | S | * | * | | | trans | -148.5 | 141.6 | 172 | -54.9 | 179.4 | 0 | 0 | 0 | 107.9 | | |
| 316 | Q | 26.7 | Very low | 30.5 | Very low | 168 Ų | 168 | 155 Ų | 155 | 79% | 0.785 | 81% | 0.812 | S | S | * | * | | | cis | -171.1 | 128.2 | -30.4 | 174.8 | 171.7 | -21.2 | 0 | 0 | 105.2 | | |
| 317 | I | 32.5 | Very low | 30.5 | Very low | 155 Ų | 155 | 153.4 Ų | 153.4 | 80% | 0.795 | 81% | 0.812 | S | S | * | * | P | Polyproline II helix | trans | -94.8 | 129.3 | 176.4 | -60.4 | 177.7 | 0 | 0 | 0 | 108.9 | | |
| 318 | P | 34.5 | Very low | 30.3 | Very low | 121 Ų | 121 | 149.4 Ų | 149.4 | 79% | 0.786 | 81% | 0.809 | S | S | * | * | P | Polyproline II helix | trans | -62.2 | 137.4 | 177.6 | -23.1 | 34.1 | 0 | 0 | 0 | 112.6 | | |
| 319 | Q | 35.5 | Very low | 30.1 | Very low | 184 Ų | 184 | 148.5 Ų | 148.5 | 86% | 0.86 | 81% | 0.806 | S | S | * | * | P | Polyproline II helix | trans | -97.5 | 141.9 | 173.7 | -66.6 | -164.7 | -3.2 | 0 | 0 | 111.6 | | |
| 320 | Q | 32.2 | Very low | 30.4 | Very low | 195 Ų | 195 | 144.3 Ų | 144.3 | 91% | 0.911 | 81% | 0.807 | S | S | * | * | | | trans | -132.1 | 126.4 | 154.5 | -68.1 | -166.9 | -7.4 | 0 | 0 | 109.8 | | |
| 321 | A | 29.3 | Very low | 30.4 | Very low | 85 Ų | 85 | 143.5 Ų | 143.5 | 70% | 0.702 | 81% | 0.807 | S | S | * | * | | | trans | -67.3 | 161.6 | -160.7 | 0 | 0 | 0 | 0 | 0 | 116.2 | | |
| 322 | L | 32.6 | Very low | 30.7 | Very low | 141 Ų | 141 | 142.6 Ų | 142.6 | 74% | 0.738 | 81% | 0.807 | S | S | * | * | | | | 176.6 | 123.4 | 106.3 | -91.4 | 161.9 | 0 | 0 | 0 | 113.9 | | |
| 323 | K | 35.7 | Very low | 31.1 | Very low | 190 Ų | 190 | 143 Ų | 143 | 83% | 0.826 | 81% | 0.807 | S | S | * | * | | | trans | 62.2 | 152.2 | 149.4 | -66.1 | 167.6 | 179.9 | 171 | 0 | 119.6 | | |
| 324 | V | 31.6 | Very low | 31.1 | Very low | 126 Ų | 126 | 142.6 Ų | 142.6 | 76% | 0.764 | 81% | 0.805 | S | S | * | * | | | cis | -166.6 | 167.3 | -35.9 | 106.1 | 0 | 0 | 0 | 0 | 108.2 | | |
| 325 | V | 34.5 | Very low | 31.4 | Very low | 125 Ų | 125 | 140.3 Ų | 140.3 | 76% | 0.758 | 80% | 0.798 | S | S | * | * | | | trans | 75.5 | 108.1 | -176.1 | -167.9 | 0 | 0 | 0 | 0 | 112.4 | | |
| 326 | K | 30.2 | Very low | 31.5 | Very low | 204 Ų | 204 | 139.1 Ų | 139.1 | 89% | 0.887 | 80% | 0.8 | S | S | * | * | | | | 62.1 | 140.8 | 62.3 | -69.5 | -172.7 | 172.7 | -178.3 | 0 | 113.3 | | |
| 327 | A | 31.6 | Very low | 31.8 | Very low | 87 Ų | 87 | 139.4 Ų | 139.4 | 72% | 0.719 | 80% | 0.801 | S | S | * | * | | | cis | -138.7 | 152.8 | -1.3 | 0 | 0 | 0 | 0 | 0 | 108.4 | | |
| 328 | A | 28.5 | Very low | 31.6 | Very low | 92 Ų | 92 | 141.9 Ų | 141.9 | 76% | 0.76 | 81% | 0.806 | S | S | * | * | | | | 50.4 | 140.5 | 86.5 | 0 | 0 | 0 | 0 | 0 | 115.5 | | |
| 329 | S | 25.9 | Very low | 31.2 | Very low | 107 Ų | 107 | 145 Ų | 145 | 75% | 0.748 | 81% | 0.81 | S | S | * | * | | | cis | -179.5 | 145.6 | -13.5 | 46.4 | 0 | 0 | 0 | 0 | 110.6 | | |
| 330 | A | 30.3 | Very low | 31.3 | Very low | 105 Ų | 105 | 141.5 Ų | 141.5 | 87% | 0.868 | 80% | 0.804 | S | S | * | * | | | trans | 61.6 | 172 | 172.4 | 0 | 0 | 0 | 0 | 0 | 115.1 | | |
| 331 | S | 29 | Very low | 31 | Very low | 115 Ų | 115 | 139.5 Ų | 139.5 | 80% | 0.804 | 80% | 0.804 | S | S | * | * | | | cis | -144.7 | 164.7 | -4.2 | -164.5 | 0 | 0 | 0 | 0 | 111 | | |
| 332 | L | 32.8 | Very low | 30.9 | Very low | 162 Ų | 162 | 141.5 Ų | 141.5 | 85% | 0.848 | 81% | 0.808 | S | S | * | * | | | trans | -94.8 | 152.1 | 167.6 | -81.2 | 167.7 | 0 | 0 | 0 | 111.7 | | |
| 333 | P | 35 | Very low | 30.6 | Very low | 122 Ų | 122 | 140 Ų | 140 | 79% | 0.792 | 81% | 0.809 | S | S | * | * | | | trans | -129.5 | -177.5 | 137.3 | 34.8 | -22.5 | 0 | 0 | 0 | 112.8 | | |
| 334 | Q | 29.4 | Very low | 30.1 | Very low | 188 Ų | 188 | 136.2 Ų | 136.2 | 88% | 0.879 | 81% | 0.807 | S | S | * | * | | | trans | -107.6 | 158.7 | -163.3 | -66.5 | -173.9 | 0.3 | 0 | 0 | 117.1 | | |
| 335 | V | 33.2 | Very low | 29.9 | Very low | 120 Ų | 120 | 137.3 Ų | 137.3 | 73% | 0.727 | 81% | 0.808 | S | S | * | * | | | trans | -16.9 | 139.7 | 158 | -176 | 0 | 0 | 0 | 0 | 118.5 | Q337 | V335-Q337 HydrophobicContact CG1-CG 4.32Š|
| 336 | P | 31.2 | Very low | 29.5 | Very low | 129 Ų | 129 | 139.4 Ų | 139.4 | 84% | 0.838 | 81% | 0.809 | S | S | * | * | | | trans | -117.9 | 154.6 | 134.4 | 1.5 | 19.8 | 0 | 0 | 0 | 113.1 | | |
| 337 | Q | 32.6 | Very low | 29.3 | Very low | 175 Ų | 175 | 135.9 Ų | 135.9 | 82% | 0.818 | 80% | 0.804 | S | S | * | * | | | trans | -105.5 | 145.3 | 176.1 | -64.4 | -173.4 | 9.6 | 0 | 0 | 113.2 | V335 | V335-Q337 HydrophobicContact CG1-CG 4.32Š|
| 338 | K | 27.4 | Very low | 29.1 | Very low | 207 Ų | 207 | 138.3 Ų | 138.3 | 90% | 0.9 | 81% | 0.811 | S | S | * | * | | | | -177.2 | 152.9 | 126.8 | -101.7 | 163.8 | -177 | 177.3 | 0 | 113.2 | | |
| 339 | Q | 27.4 | Very low | 29.5 | Very low | 186 Ų | 186 | 139.2 Ų | 139.2 | 87% | 0.869 | 81% | 0.808 | S | S | * | * | | | trans | -110 | -177.3 | 162.3 | -60.7 | -174.6 | -23.5 | 0 | 0 | 108.1 | | |
| 340 | P | 37.7 | Very low | 29.8 | Very low | 111 Ų | 111 | 140 Ų | 140 | 72% | 0.721 | 81% | 0.811 | S | S | * | * | | | cis | -134.2 | 163.8 | -5.7 | 40.2 | -24.7 | 0 | 0 | 0 | 115.6 | | |
| 341 | V | 25.8 | Very low | 29.8 | Very low | 152 Ų | 152 | 143.8 Ų | 143.8 | 92% | 0.921 | 81% | 0.811 | S | S | * | * | | | trans | -160.2 | 168.9 | 144.1 | -106.9 | 0 | 0 | 0 | 0 | 111.2 | | |
| 342 | T | 26.6 | Very low | 30.1 | Very low | 127 Ų | 127 | 143.4 Ų | 143.4 | 78% | 0.779 | 81% | 0.806 | S | S | * | * | | | trans | -105.6 | 141.8 | -165.7 | 49.8 | 0 | 0 | 0 | 0 | 115.8 | | |
| 343 | S | 26.9 | Very low | 30 | Very low | 110 Ų | 110 | 141.4 Ų | 141.4 | 77% | 0.769 | 81% | 0.805 | S | S | * | * | | | trans | 64.3 | 114.1 | 149 | -54.8 | 0 | 0 | 0 | 0 | 119.8 | | |
| 344 | S | 24.6 | Very low | 30.1 | Very low | 110 Ų | 110 | 140.3 Ų | 140.3 | 77% | 0.769 | 80% | 0.801 | S | S | * | * | | | | 172.8 | 162 | 103.3 | -74.4 | 0 | 0 | 0 | 0 | 114.6 | | |
| 345 | L | 26.2 | Very low | 30.4 | Very low | 150 Ų | 150 | 137.3 Ų | 137.3 | 79% | 0.785 | 80% | 0.795 | S | S | * | * | | | trans | 79.7 | 116.8 | 159.1 | -68 | 158.2 | 0 | 0 | 0 | 122.2 | | |
| 346 | Q | 27.4 | Very low | 30.7 | Very low | 168 Ų | 168 | 137.3 Ų | 137.3 | 79% | 0.785 | 79% | 0.787 | S | S | * | * | | | trans | 67.9 | 82.4 | 133.8 | -72.1 | 170.8 | -20.6 | 0 | 0 | 122.7 | | |
| 347 | V | 26 | Very low | 31.3 | Very low | 131 Ų | 131 | 136.1 Ų | 136.1 | 79% | 0.794 | 77% | 0.773 | S | S | * | * | | | | 24.1 | 120 | 114.3 | -174.6 | 0 | 0 | 0 | 0 | 119.2 | | |
| 348 | T | 26.7 | Very low | 32 | Very low | 138 Ų | 138 | 132.2 Ų | 132.2 | 85% | 0.847 | 76% | 0.757 | S | S | * | * | | | trans | -137.7 | 134 | 140.4 | 43.7 | 0 | 0 | 0 | 0 | 110 | | |
| 349 | P | 37 | Very low | 33.1 | Very low | 110 Ų | 110 | 127.3 Ų | 127.3 | 71% | 0.714 | 74% | 0.736 | S | S | * | * | P | Polyproline II helix | trans | -100.6 | 152.1 | 173.6 | 36.7 | -31.7 | 0 | 0 | 0 | 112.6 | | |
| 350 | P | 32.7 | Very low | 34.2 | Very low | 125 Ų | 125 | 124.4 Ų | 124.4 | 81% | 0.812 | 72% | 0.72 | S | S | * | * | P | Polyproline II helix | trans | -82.7 | 157 | 172.2 | 33.7 | -34.6 | 0 | 0 | 0 | 113.5 | | |
| 351 | E | 30.3 | Very low | 35.2 | Very low | 183 Ų | 183 | 121.2 Ų | 121.2 | 86% | 0.855 | 70% | 0.699 | S | S | * | * | P | Polyproline II helix | trans | -57.5 | 143.3 | 179.2 | -85.9 | -86.5 | 86.1 | 0 | 0 | 115.1 | | |
| 352 | P | 35.6 | Very low | 36.2 | Very low | 108 Ų | 108 | 119.7 Ų | 119.7 | 70% | 0.701 | 70% | 0.702 | S | S | * | * | P | Polyproline II helix | trans | -90.4 | 131 | 166.2 | 34.8 | -29.8 | 0 | 0 | 0 | 112 | | |
| 353 | S | 31.2 | Very low | 37.6 | Very low | 119 Ų | 119 | 118.2 Ų | 118.2 | 83% | 0.832 | 70% | 0.697 | S | S | * | * | P | Polyproline II helix | trans | -72.3 | 129.9 | 176.3 | 45.7 | 0 | 0 | 0 | 0 | 112.7 | | |
| 354 | S | 35.5 | Very low | 38.9 | Very low | 100 Ų | 100 | 114.8 Ų | 114.8 | 70% | 0.699 | 68% | 0.679 | S | S | * | * | P | Polyproline II helix | trans | -76.3 | 141.2 | 174.4 | 61.1 | 0 | 0 | 0 | 0 | 111.7 | | |
| 355 | T | 37.2 | Very low | 39.7 | Very low | 124 Ų | 124 | 116.3 Ų | 116.3 | 76% | 0.761 | 67% | 0.674 | S | S | * | * | | | trans | -100.2 | 112.6 | 179.7 | -60.3 | 0 | 0 | 0 | 0 | 109.9 | | |
| 356 | Q | 39.4 | Very low | 41 | Very low | 120 Ų | 120 | 116.8 Ų | 116.8 | 56% | 0.561 | 67% | 0.665 | S | S | * | * | | | trans | -80.6 | 141.3 | 170.3 | -65.6 | -175 | -3.8 | 0 | 0 | 110.6 | Q370 | Q356-Q370 HydrophobicContact CG-CG 4.31Š|
| 357 | I | 42.6 | Very low | 42 | Very low | 104 Ų | 104 | 114.2 Ų | 114.2 | 53% | 0.533 | 65% | 0.654 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -120.6 | 123 | 172.6 | -58.7 | 178.7 | 0 | 0 | 0 | 107.9 | | |
| 358 | L | 47.2 | Very low | 43 | Very low | 93 Ų | 93 | 111.9 Ų | 111.9 | 49% | 0.487 | 64% | 0.643 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -96 | 138.7 | 174.1 | -116.2 | 69 | 0 | 0 | 0 | 110 | W366 | L358-W366 HydrophobicContact CB-CE3 4.08Å; L358-W366 HydrophobicContact CB-CZ3 4.25Å; L358-W366 HydrophobicContact CD2-CB 4.26Å; L358-W366 HydrophobicContact CD2-CD2 4.24Å; L358-W366 HydrophobicContact CD2-CE3 3.9Å; L358-W366 HydrophobicContact CD2-CG 4.44Å; L358-W366 HydrophobicContact CG-CE3 4.17Å |
| 359 | F | 51.8 | Low | 43.9 | Very low | 105 Ų | 105 | 108.8 Ų | 108.8 | 46% | 0.461 | 62% | 0.624 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -135.6 | 151.8 | 168 | 50.4 | -91.6 | 0 | 0 | 0 | 110.7 | Q367 V369 | F359-Q367 PolarHBondContact N-O 3.5Å; F359-Q367 PolarHBondContact O-N 3.26Å; F359-V369 HydrophobicContact CE1-CB 4.28Å; F359-V369 HydrophobicContact CE1-CG2 3.98Å; F359-V369 HydrophobicContact CZ-CB 4.46Å; F359-V369 HydrophobicContact CZ-CG2 3.7Å |
| 360 | K | 49.9 | Very low | 44 | Very low | 124 Ų | 124 | 110.1 Ų | 110.1 | 54% | 0.539 | 62% | 0.62 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -102.4 | 126.3 | -174.9 | -162 | 178.3 | -173.1 | -176.6 | 0 | 109.2 | G364 E365 W366 | K360-G364 WeakPolarHBondContact CE-O 3.31Å; K360-E365 WeakPolarHBondContact CA-O 3.42Å; K360-E365 WeakPolarHBondContact CG-O 3.47Å; K360-W366 HydrophobicContact CB-CD2 4.22Å; K360-W366 HydrophobicContact CB-CE3 3.94Å; K360-W366 HydrophobicContact CB-CH2 4.26Å; K360-W366 HydrophobicContact CB-CZ3 3.96Å; K360-W366 HydrophobicContact CD-CZ2 4.14Å; K360-W366 HydrophobicContact CG-CD2 4.25Å; K360-W366 HydrophobicContact CG-CE3 4.47Å |
| 361 | T | 59.6 | Low | 44.2 | Very low | 44 Ų | 44 | 111.2 Ų | 111.2 | 27% | 0.27 | 62% | 0.619 | S | S | . | * | | | trans | -80.4 | 166.1 | 179.7 | 57.8 | 0 | 0 | 0 | 0 | 111 | S363 G364 E365 | T361-S363 PolarHBondContact O-N 2.97Å; T361-S363 PolarHBondContact OG1-OG 2.77Å; T361-S363 VanDerWaalsContact OG1-OG 3.09Å; T361-G364 PolarHBondContact O-N 3.36Å; T361-E365 PolarHBondContact N-O 3.48Å; T361-E365 PolarHBondContact OG1-O 3.05Å |
| 362 | A | 45.4 | Very low | 44.4 | Very low | 120 Ų | 120 | 111.3 Ų | 111.3 | 99% | 0.992 | 62% | 0.619 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -65.6 | -17.6 | -178.6 | 0 | 0 | 0 | 0 | 0 | 114.1 | G364 | A362-G364 VanDerWaalsContact C-N 3.3Š|
| 363 | S | 55.9 | Low | 44.2 | Very low | 97 Ų | 97 | 113.5 Ų | 113.5 | 68% | 0.678 | 63% | 0.625 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -79.1 | -9.9 | 170.8 | 53.3 | 0 | 0 | 0 | 0 | 113.6 | T361 | T361-S363 PolarHBondContact O-N 2.97Å; T361-S363 PolarHBondContact OG1-OG 2.77Å; T361-S363 VanDerWaalsContact OG1-OG 3.09Å |
| 364 | G | 55.3 | Low | 44.4 | Very low | 37 Ų | 37 | 114.1 Ų | 114.1 | 38% | 0.381 | 63% | 0.626 | S | S | . | * | S | Bend | trans | 96.5 | -1.9 | 174 | 0 | 0 | 0 | 0 | 0 | 115.8 | K360 T361 A362 | K360-G364 WeakPolarHBondContact CE-O 3.31Å; T361-G364 PolarHBondContact O-N 3.36Å; A362-G364 VanDerWaalsContact C-N 3.3Å |
| 365 | E | 40.5 | Very low | 44.1 | Very low | 142 Ų | 142 | 112.5 Ų | 112.5 | 66% | 0.664 | 63% | 0.626 | S | S | * | * | | | trans | -83.6 | 160.4 | 173.4 | -70.7 | -169.4 | 102.8 | 0 | 0 | 112.7 | K360 T361 | K360-E365 WeakPolarHBondContact CA-O 3.42Å; K360-E365 WeakPolarHBondContact CG-O 3.47Å; T361-E365 PolarHBondContact N-O 3.48Å; T361-E365 PolarHBondContact OG1-O 3.05Å |
| 366 | W | 54.7 | Low | 43.8 | Very low | 160 Ų | 160 | 112.7 Ų | 112.7 | 61% | 0.606 | 63% | 0.632 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -101.8 | 128 | 175.7 | -70.2 | 101.6 | 0 | 0 | 0 | 110 | L358 K360 | L358-W366 HydrophobicContact CB-CE3 4.08Å; L358-W366 HydrophobicContact CB-CZ3 4.25Å; L358-W366 HydrophobicContact CD2-CB 4.26Å; L358-W366 HydrophobicContact CD2-CD2 4.24Å; L358-W366 HydrophobicContact CD2-CE3 3.9Å; L358-W366 HydrophobicContact CD2-CG 4.44Å; L358-W366 HydrophobicContact CG-CE3 4.17Å; K360-W366 HydrophobicContact CB-CD2 4.22Å; K360-W366 HydrophobicContact CB-CE3 3.94Å; K360-W366 HydrophobicContact CB-CH2 4.26Å; K360-W366 HydrophobicContact CB-CZ3 3.96Å; K360-W366 HydrophobicContact CD-CZ2 4.14Å; K360-W366 HydrophobicContact CG-CD2 4.25Å; K360-W366 HydrophobicContact CG-CE3 4.47Å |
| 367 | Q | 46.9 | Very low | 43.3 | Very low | 115 Ų | 115 | 116.5 Ų | 116.5 | 54% | 0.537 | 65% | 0.647 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -117.2 | 141.3 | 169.5 | -77.4 | -179.2 | -37.3 | 0 | 0 | 110.6 | F359 | F359-Q367 PolarHBondContact N-O 3.5Å; F359-Q367 PolarHBondContact O-N 3.26Å |
| 368 | S | 47.8 | Very low | 42.5 | Very low | 82 Ų | 82 | 115.7 Ų | 115.7 | 57% | 0.573 | 66% | 0.655 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -98.4 | 139.4 | 169.7 | 48.7 | 0 | 0 | 0 | 0 | 109.6 | | |
| 369 | V | 46.4 | Very low | 41.5 | Very low | 72 Ų | 72 | 118.5 Ų | 118.5 | 44% | 0.436 | 68% | 0.676 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -130.2 | 120 | 169 | 178.8 | 0 | 0 | 0 | 0 | 108 | F359 | F359-V369 HydrophobicContact CE1-CB 4.28Å; F359-V369 HydrophobicContact CE1-CG2 3.98Å; F359-V369 HydrophobicContact CZ-CB 4.46Å; F359-V369 HydrophobicContact CZ-CG2 3.7Å |
| 370 | Q | 38.1 | Very low | 40.4 | Very low | 138 Ų | 138 | 118.5 Ų | 118.5 | 65% | 0.645 | 69% | 0.689 | S | S | * | * | | | trans | -85.7 | 120.4 | 167.8 | -71.7 | 175.7 | -82.3 | 0 | 0 | 108.2 | Q356 | Q356-Q370 HydrophobicContact CG-CG 4.31Š|
| 371 | L | 37.7 | Very low | 39.7 | Very low | 149 Ų | 149 | 118.9 Ų | 118.9 | 78% | 0.78 | 71% | 0.705 | S | S | * | * | | | trans | -77.9 | 139.4 | 167.4 | -70.8 | 100.9 | 0 | 0 | 0 | 109.3 | | |
| 372 | Q | 34.7 | Very low | 38 | Very low | 184 Ų | 184 | 123 Ų | 123 | 86% | 0.86 | 73% | 0.73 | S | S | * | * | | | trans | -134.7 | 121.5 | 178.7 | -165.4 | 164.8 | 17 | 0 | 0 | 109.1 | | |
| 373 | D | 31.2 | Very low | 37.1 | Very low | 154 Ų | 154 | 123.9 Ų | 123.9 | 82% | 0.824 | 72% | 0.723 | S | S | * | * | | | trans | -71 | 127.5 | -175.7 | -78.2 | -83.6 | 0 | 0 | 0 | 112.3 | G375 | D373-G375 VanDerWaalsContact C-N 3.28Å; D373-G375 PolarHBondContact O-N 2.84Å |
| 374 | P | 35.6 | Very low | 35.7 | Very low | 132 Ų | 132 | 123.9 Ų | 123.9 | 86% | 0.857 | 72% | 0.723 | S | S | * | * | | | trans | -78.2 | 74.2 | 175.8 | 32.2 | -35 | 0 | 0 | 0 | 111.6 | | |
| 375 | G | 27.8 | Very low | 34.5 | Very low | 67 Ų | 67 | 128.7 Ų | 128.7 | 69% | 0.691 | 75% | 0.745 | S | S | * | * | | | trans | -85.9 | 116.5 | 171 | 0 | 0 | 0 | 0 | 0 | 112 | D373 | D373-G375 VanDerWaalsContact C-N 3.28Å; D373-G375 PolarHBondContact O-N 2.84Å |
| 376 | S | 30.6 | Very low | 33.8 | Very low | 128 Ų | 128 | 126 Ų | 126 | 90% | 0.895 | 75% | 0.747 | S | S | * | * | | | trans | -154.6 | 135.3 | 172 | -79.3 | 0 | 0 | 0 | 0 | 111.9 | | |
| 377 | K | 28.9 | Very low | 33 | Very low | 200 Ų | 200 | 123.4 Ų | 123.4 | 87% | 0.87 | 75% | 0.751 | S | S | * | * | | | trans | -143.2 | 128.1 | 176.4 | -173.6 | -169.6 | 175.5 | -168.7 | 0 | 110.7 | | |
| 378 | A | 27.5 | Very low | 32.2 | Very low | 87 Ų | 87 | 124.4 Ų | 124.4 | 72% | 0.719 | 77% | 0.765 | S | S | * | * | | | trans | 35.1 | 103.7 | 159.3 | 0 | 0 | 0 | 0 | 0 | 118.4 | | |
| 379 | T | 26 | Very low | 32.1 | Very low | 151 Ų | 151 | 125.9 Ų | 125.9 | 93% | 0.926 | 77% | 0.773 | S | S | * | * | | | trans | -75.1 | 137.7 | 152.6 | 35.1 | 0 | 0 | 0 | 0 | 111.1 | | |
| 380 | S | 27 | Very low | 31.8 | Very low | 105 Ų | 105 | 127.7 Ų | 127.7 | 73% | 0.734 | 79% | 0.786 | S | S | * | * | | | trans | -157.4 | 126.7 | 160.2 | 55.7 | 0 | 0 | 0 | 0 | 108.6 | | |
| 381 | P | 35.1 | Very low | 31.2 | Very low | 132 Ų | 132 | 127.5 Ų | 127.5 | 86% | 0.857 | 79% | 0.794 | S | S | * | * | | | trans | -79.7 | 157.1 | -170.5 | 32.1 | -36.2 | 0 | 0 | 0 | 113.8 | | |
| 382 | T | 24.6 | Very low | 30.8 | Very low | 131 Ų | 131 | 125.5 Ų | 125.5 | 80% | 0.804 | 79% | 0.793 | S | S | * | * | | | trans | -79.3 | 133.5 | 175.5 | -55.8 | 0 | 0 | 0 | 0 | 112 | | |
| 383 | T | 26.3 | Very low | 31.5 | Very low | 138 Ų | 138 | 122 Ų | 122 | 85% | 0.847 | 79% | 0.786 | S | S | * | * | | | trans | -140.5 | 152.2 | 145.9 | -51.5 | 0 | 0 | 0 | 0 | 108.5 | | |
| 384 | S | 26.8 | Very low | 32 | Very low | 98 Ų | 98 | 120.4 Ų | 120.4 | 69% | 0.685 | 78% | 0.784 | S | S | * | * | | | trans | -111 | -174.4 | -157.9 | 51.8 | 0 | 0 | 0 | 0 | 113.9 | | |
| 385 | V | 29.3 | Very low | 31.7 | Very low | 137 Ų | 137 | 119 Ų | 119 | 83% | 0.83 | 78% | 0.783 | S | S | * | * | | | trans | 106.2 | 128.4 | 162.3 | -174.3 | 0 | 0 | 0 | 0 | 116.3 | | |
| 386 | A | 26.1 | Very low | 31.6 | Very low | 87 Ų | 87 | 119.4 Ų | 119.4 | 72% | 0.719 | 79% | 0.788 | S | S | * | * | | | trans | -129.6 | 159.4 | 160 | 0 | 0 | 0 | 0 | 0 | 106 | | |
| 387 | P | 39.4 | Very low | 31.7 | Very low | 105 Ų | 105 | 118.8 Ų | 118.8 | 68% | 0.682 | 78% | 0.784 | S | S | * | * | | | | -155.5 | 135.7 | 70.2 | 37.3 | -14.7 | 0 | 0 | 0 | 118.8 | | |
| 388 | T | 29.2 | Very low | 31.8 | Very low | 135 Ų | 135 | 119 Ų | 119 | 83% | 0.828 | 79% | 0.785 | S | S | * | * | | | trans | 72 | -167.1 | 140.6 | 70.1 | 0 | 0 | 0 | 0 | 117.9 | | |
| 389 | P | 45.7 | Very low | 31.8 | Very low | 113 Ų | 113 | 126.4 Ų | 126.4 | 73% | 0.734 | 79% | 0.794 | S | S | * | * | | | | -124.6 | -161.9 | -122.4 | 33.8 | -8.1 | 0 | 0 | 0 | 112.8 | | |
| 390 | P | 39.7 | Very low | 32.1 | Very low | 111 Ų | 111 | 125.3 Ų | 125.3 | 72% | 0.721 | 79% | 0.788 | S | S | * | * | | | cis | -119 | -175.9 | -8.5 | 37.6 | -18.4 | 0 | 0 | 0 | 112.8 | | |
| 391 | T | 25.9 | Very low | 32.3 | Very low | 133 Ų | 133 | 129.4 Ų | 129.4 | 82% | 0.816 | 80% | 0.795 | S | S | * | * | | | | 178.1 | 161.1 | 87.7 | -57.2 | 0 | 0 | 0 | 0 | 109.4 | | |
| 392 | S | 29.7 | Very low | 32.2 | Very low | 107 Ų | 107 | 128.1 Ų | 128.1 | 75% | 0.748 | 80% | 0.795 | S | S | * | * | | | trans | -121.3 | -169.8 | -175.8 | 65 | 0 | 0 | 0 | 0 | 113.5 | | |
| 393 | P | 49.5 | Very low | 32.3 | Very low | 110 Ų | 110 | 125.6 Ų | 125.6 | 71% | 0.714 | 80% | 0.795 | S | S | * | * | | | | -96.3 | -178.3 | -112.4 | 43.5 | -32.4 | 0 | 0 | 0 | 115 | | |
| 394 | P | 42.2 | Very low | 32.4 | Very low | 121 Ų | 121 | 123.6 Ų | 123.6 | 79% | 0.786 | 79% | 0.793 | S | S | * | * | | | | -134.9 | 147.3 | 93.9 | 13 | 9.9 | 0 | 0 | 0 | 113 | | |
| 395 | A | 27.8 | Very low | 32.7 | Very low | 102 Ų | 102 | 128.8 Ų | 128.8 | 84% | 0.843 | 80% | 0.797 | S | S | * | * | | | | 70.4 | 119.8 | 67.9 | 0 | 0 | 0 | 0 | 0 | 115.1 | | |
| 396 | G | 26.8 | Very low | 32.7 | Very low | 77 Ų | 77 | 131.9 Ų | 131.9 | 79% | 0.794 | 80% | 0.8 | S | S | * | * | | | trans | -178.6 | 61.5 | -173.9 | 0 | 0 | 0 | 0 | 0 | 119.4 | | |
| 397 | S | 32.3 | Very low | 32.9 | Very low | 115 Ų | 115 | 134.9 Ų | 134.9 | 80% | 0.804 | 80% | 0.799 | S | S | * | * | | | trans | 41.7 | 124.1 | 147.9 | -64.5 | 0 | 0 | 0 | 0 | 124.8 | | |
| 398 | K | 30 | Very low | 32.5 | Very low | 205 Ų | 205 | 141.4 Ų | 141.4 | 89% | 0.891 | 81% | 0.81 | S | S | * | * | | | trans | 36 | 128.2 | 133.9 | -65 | 176.1 | 176.5 | 173.5 | 0 | 121.1 | | |
| 399 | R | 29.1 | Very low | 32.6 | Very low | 241 Ų | 241 | 141.4 Ų | 141.4 | 91% | 0.909 | 81% | 0.81 | S | S | * | * | | | | -158.7 | 149.7 | 107.4 | -157 | 167.7 | -179 | 177.4 | 0.6 | 113 | | |
| 400 | T | 31.1 | Very low | 31.8 | Very low | 129 Ų | 129 | 144.1 Ų | 144.1 | 79% | 0.791 | 82% | 0.817 | S | S | * | * | | | trans | -93.2 | 139 | 175.5 | -38.6 | 0 | 0 | 0 | 0 | 111.6 | | |
| 401 | Q | 32.6 | Very low | 31.2 | Very low | 190 Ų | 190 | 143.3 Ų | 143.3 | 89% | 0.888 | 82% | 0.82 | S | S | * | * | | | trans | -160.5 | 149.4 | 146.4 | -120 | 175.7 | 10.7 | 0 | 0 | 111.6 | | |
| 402 | A | 31.7 | Very low | 31.3 | Very low | 105 Ų | 105 | 146.9 Ų | 146.9 | 87% | 0.868 | 82% | 0.824 | S | S | * | * | | | trans | -108.5 | 137.3 | 169.4 | 0 | 0 | 0 | 0 | 0 | 108.8 | | |
| 403 | G | 28 | Very low | 31.3 | Very low | 78 Ų | 78 | 149.7 Ų | 149.7 | 80% | 0.804 | 83% | 0.829 | S | S | * | * | | | trans | -158.7 | 147.4 | -174.2 | 0 | 0 | 0 | 0 | 0 | 112.4 | | |
| 404 | A | 28.6 | Very low | 30.3 | Very low | 96 Ų | 96 | 148.4 Ų | 148.4 | 79% | 0.793 | 83% | 0.827 | S | S | * | * | | | trans | -59.1 | 146.9 | -164.8 | 0 | 0 | 0 | 0 | 0 | 116.9 | | |
| 405 | R | 32.9 | Very low | 29.9 | Very low | 207 Ų | 207 | 148.8 Ų | 148.8 | 78% | 0.781 | 83% | 0.83 | S | S | * | * | | | trans | 18 | 113.8 | 137.3 | 179.7 | -175.4 | 174.1 | -179.9 | -2.4 | 116.4 | E407 | R405-E407 IonicContact CZ-OE2 3.29Å; R405-E407 VanDerWaalsContact CZ-OE2 3.29Å; R405-E407 IonicContact NE-OE2 3.03Å; R405-E407 PolarHBondContact NE-OE2 3.35Å; R405-E407 IonicContact NH2-OE2 2.69Å; R405-E407 PolarHBondContact NH2-OE2 3.42Å |
| 406 | K | 29.2 | Very low | 30 | Very low | 203 Ų | 203 | 149.1 Ų | 149.1 | 88% | 0.883 | 83% | 0.833 | S | S | * | * | | | trans | -126.7 | 131.8 | 147.8 | -77.2 | -171.1 | 175.1 | -179.2 | 0 | 110.3 | | |
| 407 | E | 28.9 | Very low | 30 | Very low | 149 Ų | 149 | 148.8 Ų | 148.8 | 70% | 0.696 | 83% | 0.829 | S | S | * | * | | | trans | -73 | 146.3 | 167.9 | -75.6 | 151 | 57.4 | 0 | 0 | 109.4 | R405 | R405-E407 IonicContact CZ-OE2 3.29Å; R405-E407 VanDerWaalsContact CZ-OE2 3.29Å; R405-E407 IonicContact NE-OE2 3.03Å; R405-E407 PolarHBondContact NE-OE2 3.35Å; R405-E407 IonicContact NH2-OE2 2.69Å; R405-E407 PolarHBondContact NH2-OE2 3.42Å |
| 408 | R | 31.5 | Very low | 29.7 | Very low | 243 Ų | 243 | 147.3 Ų | 147.3 | 92% | 0.917 | 83% | 0.832 | S | S | * | * | | | trans | -123.9 | 112.3 | 169 | -167.1 | 173.3 | -173.6 | 175.6 | 2.8 | 109 | | |
| 409 | T | 31.1 | Very low | 29.8 | Very low | 135 Ų | 135 | 146.2 Ų | 146.2 | 83% | 0.828 | 83% | 0.832 | S | S | * | * | | | trans | -58.8 | 141.9 | 170.3 | 42 | 0 | 0 | 0 | 0 | 110.4 | | |
| 410 | L | 29 | Very low | 29.8 | Very low | 170 Ų | 170 | 141.9 Ų | 141.9 | 89% | 0.89 | 83% | 0.826 | S | S | * | * | | | trans | -125.9 | 132 | 167.8 | -163.9 | 71.1 | 0 | 0 | 0 | 108.5 | | |
| 411 | A | 27.3 | Very low | 29.5 | Very low | 93 Ų | 93 | 140.2 Ų | 140.2 | 77% | 0.769 | 83% | 0.825 | S | S | * | * | | | trans | -69.5 | 151.5 | -171.4 | 0 | 0 | 0 | 0 | 0 | 112.7 | | |
| 412 | K | 27.8 | Very low | 29.1 | Very low | 209 Ų | 209 | 140.4 Ų | 140.4 | 91% | 0.909 | 82% | 0.823 | S | S | * | * | | | trans | -103.1 | 102 | -175.1 | -178.4 | -177.4 | 177.7 | -173.2 | 0 | 109.8 | | |
| 413 | I | 31 | Very low | 28.9 | Very low | 165 Ų | 165 | 140 Ų | 140 | 85% | 0.846 | 82% | 0.815 | S | S | * | * | P | Polyproline II helix | trans | -95.2 | 135.8 | 171.9 | -59.9 | 177.6 | 0 | 0 | 0 | 108.6 | | |
| 414 | A | 28.6 | Very low | 29.1 | Very low | 83 Ų | 83 | 142.8 Ų | 142.8 | 69% | 0.686 | 82% | 0.818 | S | S | * | * | P | Polyproline II helix | trans | -95 | 150.3 | -175.6 | 0 | 0 | 0 | 0 | 0 | 112.3 | | |
| 415 | P | 33.7 | Very low | 29.3 | Very low | 129 Ų | 129 | 143 Ų | 143 | 84% | 0.838 | 81% | 0.814 | S | S | * | * | P | Polyproline II helix | trans | -75.8 | 129.9 | 166.9 | 31.8 | -32.1 | 0 | 0 | 0 | 110.2 | | |
| 416 | A | 28.8 | Very low | 29.3 | Very low | 110 Ų | 110 | 142.3 Ų | 142.3 | 91% | 0.909 | 82% | 0.82 | S | S | * | * | P | Polyproline II helix | trans | -78.5 | 131.8 | 172.7 | 0 | 0 | 0 | 0 | 0 | 110.8 | | |
| 417 | G | 27.4 | Very low | 29.2 | Very low | 69 Ų | 69 | 141.4 Ų | 141.4 | 71% | 0.711 | 82% | 0.823 | S | S | * | * | | | trans | -129.8 | 120.4 | 165.7 | 0 | 0 | 0 | 0 | 0 | 108.2 | M419 | G417-M419 PolarHBondContact O-N 3.44Š|
| 418 | G | 26.4 | Very low | 29.2 | Very low | 84 Ų | 84 | 141.2 Ų | 141.2 | 87% | 0.866 | 83% | 0.827 | S | S | * | * | P | Polyproline II helix | trans | -69.6 | 124.1 | -173.5 | 0 | 0 | 0 | 0 | 0 | 112.4 | | |
| 419 | M | 30.8 | Very low | 29.4 | Very low | 182 Ų | 182 | 134.3 Ų | 134.3 | 90% | 0.897 | 82% | 0.822 | S | S | * | * | P | Polyproline II helix | trans | -92.7 | 124.6 | 166.7 | -69.5 | -75.9 | -73.1 | 0 | 0 | 108.6 | G417 | G417-M419 PolarHBondContact O-N 3.44Š|
| 420 | I | 29.7 | Very low | 29.4 | Very low | 151 Ų | 151 | 134.3 Ų | 134.3 | 77% | 0.774 | 82% | 0.822 | S | S | * | * | P | Polyproline II helix | trans | -89.8 | 120.3 | 165.5 | -57.8 | 177.1 | 0 | 0 | 0 | 106.8 | F422 | I420-F422 HydrophobicContact CG2-CD2 4.45Å; I420-F422 HydrophobicContact CG2-CE2 4Å |
| 421 | A | 24.5 | Very low | 29.7 | Very low | 94 Ų | 94 | 135.2 Ų | 135.2 | 78% | 0.777 | 82% | 0.822 | S | S | * | * | P | Polyproline II helix | trans | -91 | 141.6 | 176 | 0 | 0 | 0 | 0 | 0 | 110.8 | | |
| 422 | F | 25.2 | Very low | 29.9 | Very low | 193 Ų | 193 | 134.8 Ų | 134.8 | 85% | 0.846 | 82% | 0.818 | S | S | * | * | | | trans | -118.4 | 144.9 | 163.9 | -78.6 | -84.3 | 0 | 0 | 0 | 109 | I420 | I420-F422 HydrophobicContact CG2-CD2 4.45Å; I420-F422 HydrophobicContact CG2-CE2 4Å |
| 423 | S | 26.6 | Very low | 30.3 | Very low | 98 Ų | 98 | 130.8 Ų | 130.8 | 69% | 0.685 | 81% | 0.811 | S | S | * | * | | | trans | -83.3 | 151.2 | -174.5 | 42.6 | 0 | 0 | 0 | 0 | 112.9 | S425 | S423-S425 PolarHBondContact O-N 2.81Å; S423-S425 VanDerWaalsContact O-N 3.14Å |
| 424 | P | 33.3 | Very low | 30.8 | Very low | 136 Ų | 136 | 130.5 Ų | 130.5 | 88% | 0.883 | 81% | 0.806 | S | S | * | * | | | trans | -86 | 81.9 | -177.8 | 34.7 | -34.8 | 0 | 0 | 0 | 111.9 | | |
| 425 | S | 31.6 | Very low | 31.1 | Very low | 100 Ų | 100 | 129.9 Ų | 129.9 | 70% | 0.699 | 79% | 0.794 | S | S | * | * | | | trans | -132.2 | 135.4 | 173.6 | -66.7 | 0 | 0 | 0 | 0 | 111.3 | S423 | S423-S425 PolarHBondContact O-N 2.81Å; S423-S425 VanDerWaalsContact O-N 3.14Å |
| 426 | Q | 33.3 | Very low | 31.3 | Very low | 193 Ų | 193 | 129.1 Ų | 129.1 | 90% | 0.902 | 78% | 0.781 | S | S | * | * | | | trans | 58.5 | 86.3 | 176.7 | -61.4 | -174.4 | -4 | 0 | 0 | 116.6 | | |
| 427 | L | 27.4 | Very low | 31.5 | Very low | 184 Ų | 184 | 128.2 Ų | 128.2 | 96% | 0.963 | 77% | 0.768 | S | S | * | * | | | trans | -96.4 | 98 | 146.7 | -81.2 | 171.7 | 0 | 0 | 0 | 108.5 | | |
| 428 | N | 29 | Very low | 31.9 | Very low | 145 Ų | 145 | 130.5 Ų | 130.5 | 78% | 0.775 | 76% | 0.763 | S | S | * | * | | | trans | -82.9 | 145.6 | 164.9 | -166.2 | 7.3 | 0 | 0 | 0 | 109.3 | T430 | N428-T430 PolarHBondContact O-N 2.84Š|
| 429 | A | 34.7 | Very low | 32.1 | Very low | 97 Ų | 97 | 134.4 Ų | 134.4 | 80% | 0.802 | 76% | 0.764 | S | S | * | * | | | trans | -86.5 | 99.5 | -171.9 | 0 | 0 | 0 | 0 | 0 | 112.1 | | |
| 430 | T | 30.8 | Very low | 32.5 | Very low | 135 Ų | 135 | 129.4 Ų | 129.4 | 83% | 0.828 | 76% | 0.759 | S | S | * | * | | | trans | -108.1 | 122.9 | 168.6 | 21 | 0 | 0 | 0 | 0 | 111.4 | N428 A432 | N428-T430 PolarHBondContact O-N 2.84Å; T430-A432 PolarHBondContact O-N 3.24Å |
| 431 | Q | 35.2 | Very low | 32.7 | Very low | 190 Ų | 190 | 126.9 Ų | 126.9 | 89% | 0.888 | 75% | 0.751 | S | S | * | * | | | trans | -72.4 | 110.6 | -178 | -65.8 | 172.6 | -12.6 | 0 | 0 | 110.9 | V433 | Q431-V433 PolarHBondContact O-N 3.28Š|
| 432 | A | 32.4 | Very low | 33.1 | Very low | 84 Ų | 84 | 129 Ų | 129 | 69% | 0.694 | 74% | 0.744 | S | S | * | * | | | trans | -90.9 | 96.2 | 174.8 | 0 | 0 | 0 | 0 | 0 | 110.8 | T430 Q434 | T430-A432 PolarHBondContact O-N 3.24Å; A432-Q434 PolarHBondContact O-N 3.4Å |
| 433 | V | 37.1 | Very low | 33.8 | Very low | 124 Ų | 124 | 124.4 Ų | 124.4 | 75% | 0.752 | 73% | 0.732 | S | S | * | * | | | trans | -66.8 | 111.9 | 172.6 | -179.3 | 0 | 0 | 0 | 0 | 109.3 | Q431 | Q431-V433 PolarHBondContact O-N 3.28Š|
| 434 | Q | 39.5 | Very low | 34.2 | Very low | 160 Ų | 160 | 127 Ų | 127 | 75% | 0.748 | 73% | 0.733 | S | S | * | * | | | trans | -110.7 | 124.2 | 175.2 | -71 | -167.6 | -6.1 | 0 | 0 | 111.3 | A432 I436 | A432-Q434 PolarHBondContact O-N 3.4Å; Q434-I436 PolarHBondContact O-N 3.16Å |
| 435 | T | 35.9 | Very low | 34.7 | Very low | 70 Ų | 70 | 123.7 Ų | 123.7 | 43% | 0.429 | 72% | 0.724 | S | S | . | * | | | trans | -76.2 | 110.9 | 174 | -49.3 | 0 | 0 | 0 | 0 | 110.1 | Q442 | T435-Q442 HydrophobicContact CG2-CG 4.48Š|
| 436 | I | 38 | Very low | 35.3 | Very low | 112 Ų | 112 | 122.4 Ų | 122.4 | 57% | 0.574 | 71% | 0.712 | S | S | * | * | | | trans | -95.4 | 121.5 | 174.1 | -53 | 178.2 | 0 | 0 | 0 | 108.7 | Q434 I438 | Q434-I436 PolarHBondContact O-N 3.16Å; I436-I438 HydrophobicContact CG2-CD1 4.32Å; I436-I438 HydrophobicContact CG2-CG1 4.08Å |
| 437 | S | 32 | Very low | 35.5 | Very low | 91 Ų | 91 | 118.2 Ų | 118.2 | 64% | 0.636 | 70% | 0.701 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -101.8 | 106.6 | 179.5 | 46.2 | 0 | 0 | 0 | 0 | 111.5 | | |
| 438 | I | 35.7 | Very low | 36.2 | Very low | 118 Ų | 118 | 112.1 Ų | 112.1 | 61% | 0.605 | 67% | 0.672 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -112.4 | 127 | 175.1 | -57.4 | 177.5 | 0 | 0 | 0 | 108.3 | I436 G440 V441 | I436-I438 HydrophobicContact CG2-CD1 4.32Å; I436-I438 HydrophobicContact CG2-CG1 4.08Å; I438-G440 PolarHBondContact O-N 2.84Å; I438-V441 PolarHBondContact O-N 3.06Å |
| 439 | N | 31.7 | Very low | 37 | Very low | 165 Ų | 165 | 109.4 Ų | 109.4 | 88% | 0.882 | 66% | 0.661 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 49.6 | 29.4 | 173.2 | -62 | -20.6 | 0 | 0 | 0 | 116.4 | | |
| 440 | G | 38.4 | Very low | 37.4 | Very low | 77 Ų | 77 | 109.7 Ų | 109.7 | 79% | 0.794 | 65% | 0.648 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 91.9 | -4.7 | 169.2 | 0 | 0 | 0 | 0 | 0 | 116.4 | I438 | I438-G440 PolarHBondContact O-N 2.84Š|
| 441 | V | 35.4 | Very low | 37.9 | Very low | 99 Ų | 99 | 107.9 Ų | 107.9 | 60% | 0.6 | 64% | 0.637 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -97.2 | 131.9 | 172.5 | -176 | 0 | 0 | 0 | 0 | 109.2 | I438 V443 | I438-V441 PolarHBondContact O-N 3.06Å; V441-V443 HydrophobicContact CG1-CG2 4.13Å |
| 442 | Q | 33 | Very low | 38.1 | Very low | 137 Ų | 137 | 103.9 Ų | 103.9 | 64% | 0.64 | 62% | 0.621 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -99.1 | 125.5 | 168.8 | -66 | -170.5 | 40.5 | 0 | 0 | 109.2 | T435 | T435-Q442 HydrophobicContact CG2-CG 4.48Å |
| 443 | V | 38.3 | Very low | 38.3 | Very low | 98 Ų | 98 | 104 Ų | 104 | 59% | 0.594 | 62% | 0.622 | S | S | * | * | | | trans | -117.7 | 117 | 171.1 | -175.3 | 0 | 0 | 0 | 0 | 107.5 | V441 | V441-V443 HydrophobicContact CG1-CG2 4.13Š|
| 444 | Q | 36.2 | Very low | 38.7 | Very low | 151 Ų | 151 | 102.5 Ų | 102.5 | 71% | 0.706 | 63% | 0.632 | S | S | * | * | | | trans | -94.8 | 150.4 | 167.8 | -65.1 | -172.7 | 14.4 | 0 | 0 | 109.4 | | |
| 445 | G | 44.2 | Very low | 39.2 | Very low | 68 Ų | 68 | 98 Ų | 98 | 70% | 0.701 | 63% | 0.629 | S | S | * | * | | | trans | 107.3 | 5.1 | 164.2 | 0 | 0 | 0 | 0 | 0 | 118 | | |
| 446 | V | 43 | Very low | 39.2 | Very low | 72 Ų | 72 | 102.5 Ų | 102.5 | 44% | 0.436 | 65% | 0.645 | S | S | . | * | | | trans | -97.2 | 118.9 | 172.8 | -172.2 | 0 | 0 | 0 | 0 | 110.4 | V448 V461 | V446-V448 PolarHBondContact O-N 2.81Å; V446-V461 HydrophobicContact CG1-CG1 3.79Å |
| 447 | P | 37.4 | Very low | 39.3 | Very low | 105 Ų | 105 | 104.2 Ų | 104.2 | 68% | 0.682 | 65% | 0.65 | S | S | * | * | | | trans | -74.1 | 122.9 | 175 | 29.8 | -32.7 | 0 | 0 | 0 | 110.5 | | |
| 448 | V | 43.4 | Very low | 39.6 | Very low | 57 Ų | 57 | 106 Ų | 106 | 35% | 0.345 | 65% | 0.648 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -111.4 | 112.5 | 176.9 | -177.4 | 0 | 0 | 0 | 0 | 109.1 | V446 I450 L459 V461 | V446-V448 PolarHBondContact O-N 2.81Å; V448-I450 HydrophobicContact CG1-CG1 4.37Å; V448-L459 HydrophobicContact CG1-CD2 3.99Å; V448-V461 HydrophobicContact CG2-CG2 4.24Å |
| 449 | T | 44.4 | Very low | 39.7 | Very low | 88 Ų | 88 | 105.5 Ų | 105.5 | 54% | 0.54 | 65% | 0.647 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -85.8 | 115.9 | 174.2 | 37.4 | 0 | 0 | 0 | 0 | 110.3 | | |
| 450 | I | 43.1 | Very low | 40.3 | Very low | 103 Ų | 103 | 100.4 Ų | 100.4 | 53% | 0.528 | 62% | 0.621 | S | S | . | * | | | trans | -98.8 | 92.9 | 175.5 | -54 | 176.6 | 0 | 0 | 0 | 108.6 | V448 L459 | V448-I450 HydrophobicContact CG1-CG1 4.37Å; I450-L459 HydrophobicContact CD1-CD2 4.24Å; I450-L459 HydrophobicContact CG1-CD2 4.06Å |
| 451 | T | 40.9 | Very low | 40.5 | Very low | 97 Ų | 97 | 100.9 Ų | 100.9 | 60% | 0.595 | 61% | 0.609 | S | S | * | * | | | trans | -86.5 | 122.2 | 169.8 | 40.8 | 0 | 0 | 0 | 0 | 110 | | |
| 452 | N | 39.1 | Very low | 40.7 | Very low | 106 Ų | 106 | 103.1 Ų | 103.1 | 57% | 0.567 | 61% | 0.612 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -110.8 | 100.7 | 179.3 | -176.4 | 2.7 | 0 | 0 | 0 | 109.5 | | |
| 453 | A | 38.1 | Very low | 40.9 | Very low | 86 Ų | 86 | 102.1 Ų | 102.1 | 71% | 0.711 | 62% | 0.616 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -125.9 | 137.4 | 174.6 | 0 | 0 | 0 | 0 | 0 | 109.1 | G455 | A453-G455 PolarHBondContact O-N 3.38Å; A453-G455 VanDerWaalsContact O-N 3.14Å |
| 454 | G | 45 | Very low | 40.9 | Very low | 93 Ų | 93 | 104 Ų | 104 | 96% | 0.959 | 63% | 0.627 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 68.7 | 6.9 | 177.1 | 0 | 0 | 0 | 0 | 0 | 116.3 | | |
| 455 | G | 49.5 | Very low | 40.8 | Very low | 66 Ų | 66 | 105.3 Ų | 105.3 | 68% | 0.68 | 63% | 0.633 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 85.6 | 15.5 | 173.5 | 0 | 0 | 0 | 0 | 0 | 115.8 | A453 | A453-G455 PolarHBondContact O-N 3.38Å; A453-G455 VanDerWaalsContact O-N 3.14Å |
| 456 | Q | 37.3 | Very low | 40.4 | Very low | 164 Ų | 164 | 105.7 Ų | 105.7 | 77% | 0.766 | 64% | 0.637 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -115.2 | 144.4 | 163.5 | -62.7 | -160.2 | 13.9 | 0 | 0 | 110.5 | | |
| 457 | Q | 38.8 | Very low | 39.9 | Very low | 147 Ų | 147 | 106.6 Ų | 106.6 | 69% | 0.687 | 66% | 0.661 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -93.6 | 112 | 176.5 | -69.6 | -177.7 | -35.4 | 0 | 0 | 109.3 | | |
| 458 | H | 39 | Very low | 39.5 | Very low | 128 Ų | 128 | 105.3 Ų | 105.3 | 59% | 0.593 | 67% | 0.667 | S | S | * | * | | | trans | -95.2 | 134.8 | 171.2 | -159.4 | -111.4 | 0 | 0 | 0 | 109.8 | | |
| 459 | L | 37.9 | Very low | 38.8 | Very low | 109 Ų | 109 | 110.4 Ų | 110.4 | 57% | 0.571 | 69% | 0.691 | S | S | * | * | | | trans | -118.8 | 88.8 | -174.8 | -81 | 154.3 | 0 | 0 | 0 | 109.5 | V448 I450 | V448-L459 HydrophobicContact CG1-CD2 3.99Å; I450-L459 HydrophobicContact CD1-CD2 4.24Å; I450-L459 HydrophobicContact CG1-CD2 4.06Å |
| 460 | T | 44.5 | Very low | 38.1 | Very low | 57 Ų | 57 | 113.6 Ų | 113.6 | 35% | 0.35 | 70% | 0.7 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -87.1 | 119.7 | 173.4 | 35.7 | 0 | 0 | 0 | 0 | 111.2 | | |
| 461 | V | 42.4 | Very low | 37.3 | Very low | 88 Ų | 88 | 116 Ų | 116 | 53% | 0.533 | 71% | 0.714 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -108.7 | 113.1 | 173.7 | -176.3 | 0 | 0 | 0 | 0 | 108.1 | V446 V448 | V446-V461 HydrophobicContact CG1-CG1 3.79Å; V448-V461 HydrophobicContact CG2-CG2 4.24Å |
| 462 | Q | 38.3 | Very low | 36.6 | Very low | 145 Ų | 145 | 116.2 Ų | 116.2 | 68% | 0.678 | 73% | 0.725 | S | S | * | * | | | trans | -87.1 | 112.7 | 176.1 | -69.8 | -174 | -1.3 | 0 | 0 | 110.2 | V464 | Q462-V464 PolarHBondContact O-N 3.39Š|
| 463 | T | 37.8 | Very low | 36.1 | Very low | 117 Ų | 117 | 116.3 Ų | 116.3 | 72% | 0.718 | 74% | 0.74 | S | S | * | * | | | trans | -86.4 | 100.5 | 173.6 | 49.6 | 0 | 0 | 0 | 0 | 110.5 | | |
| 464 | V | 37.6 | Very low | 35.6 | Very low | 136 Ų | 136 | 117.1 Ų | 117.1 | 82% | 0.824 | 75% | 0.747 | S | S | * | * | | | trans | -77.7 | 132.4 | 161.5 | -69.3 | 0 | 0 | 0 | 0 | 109.6 | Q462 | Q462-V464 PolarHBondContact O-N 3.39Š|
| 465 | H | 35.8 | Very low | 35 | Very low | 179 Ų | 179 | 122.6 Ų | 122.6 | 83% | 0.829 | 75% | 0.748 | S | S | * | * | | | trans | -106.4 | 132 | 166.5 | -89.1 | 16.5 | 0 | 0 | 0 | 109 | | |
| 466 | G | 35.3 | Very low | 34.1 | Very low | 77 Ų | 77 | 123.1 Ų | 123.1 | 79% | 0.794 | 75% | 0.753 | S | S | * | * | P | Polyproline II helix | trans | -70.9 | 156.7 | -179.7 | 0 | 0 | 0 | 0 | 0 | 112.4 | | |
| 467 | G | 32.2 | Very low | 33.8 | Very low | 90 Ų | 90 | 124.6 Ų | 124.6 | 93% | 0.928 | 76% | 0.76 | S | S | * | * | P | Polyproline II helix | trans | -67.7 | 146.8 | -178.7 | 0 | 0 | 0 | 0 | 0 | 113.6 | | |
| 468 | G | 29.1 | Very low | 33.7 | Very low | 79 Ų | 79 | 123.2 Ų | 123.2 | 81% | 0.814 | 76% | 0.763 | S | S | * | * | P | Polyproline II helix | trans | -103.5 | 137.1 | 171.4 | 0 | 0 | 0 | 0 | 0 | 112.3 | | |
| 469 | L | 28.6 | Very low | 33.1 | Very low | 163 Ų | 163 | 121.5 Ų | 121.5 | 85% | 0.853 | 77% | 0.771 | S | S | * | * | P | Polyproline II helix | trans | -78.5 | 142.3 | 152.1 | -72 | 169.7 | 0 | 0 | 0 | 107.4 | | |
| 470 | Q | 29.7 | Very low | 32.7 | Very low | 156 Ų | 156 | 123.5 Ų | 123.5 | 73% | 0.729 | 78% | 0.781 | S | S | * | * | | | cis | -165.9 | 175.4 | -2.8 | -165.1 | 176 | 9.2 | 0 | 0 | 109.3 | | |
| 471 | L | 26.1 | Very low | 32 | Very low | 154 Ų | 154 | 129.5 Ų | 129.5 | 81% | 0.806 | 81% | 0.805 | S | S | * | * | | | trans | 83 | 136.5 | 161.4 | -73.6 | 128 | 0 | 0 | 0 | 120.9 | | |
| 472 | A | 26.1 | Very low | 31.5 | Very low | 100 Ų | 100 | 130.4 Ų | 130.4 | 83% | 0.826 | 81% | 0.811 | S | S | * | * | | | trans | 55.6 | 111.8 | 152.9 | 0 | 0 | 0 | 0 | 0 | 119.7 | | |
| 473 | A | 28.5 | Very low | 31.2 | Very low | 109 Ų | 109 | 129.1 Ų | 129.1 | 90% | 0.901 | 81% | 0.809 | S | S | * | * | | | trans | -94.1 | 141.8 | 168.1 | 0 | 0 | 0 | 0 | 0 | 112 | | |
| 474 | A | 28.7 | Very low | 31 | Very low | 102 Ų | 102 | 130.9 Ų | 130.9 | 84% | 0.843 | 81% | 0.809 | S | S | * | * | | | trans | -132.7 | 152.1 | 159.3 | 0 | 0 | 0 | 0 | 0 | 108.4 | | |
| 475 | Q | 32.4 | Very low | 30.9 | Very low | 209 Ų | 209 | 129 Ų | 129 | 98% | 0.977 | 80% | 0.798 | S | S | * | * | | | trans | -86.3 | 139.6 | -161.4 | -64.3 | 164.4 | -40.7 | 0 | 0 | 113.4 | | |
| 476 | G | 30.9 | Very low | 30.7 | Very low | 77 Ų | 77 | 126.5 Ų | 126.5 | 79% | 0.794 | 79% | 0.79 | S | S | * | * | | | trans | 176.9 | 121.3 | 171.4 | 0 | 0 | 0 | 0 | 0 | 112.7 | | |
| 477 | Q | 30.6 | Very low | 30.5 | Very low | 194 Ų | 194 | 128.2 Ų | 128.2 | 91% | 0.907 | 79% | 0.785 | S | S | * | * | | | trans | -91.9 | 171.6 | 177.2 | -59.7 | 173.3 | -61.5 | 0 | 0 | 111.1 | | |
| 478 | P | 37.1 | Very low | 30.4 | Very low | 118 Ų | 118 | 130.8 Ų | 130.8 | 77% | 0.766 | 78% | 0.777 | S | S | * | * | | | cis | -118.8 | 160.2 | -46.2 | 35.4 | -24.4 | 0 | 0 | 0 | 110.7 | I480 | P478-I480 PolarHBondContact O-N 3.42Š|
| 479 | A | 25.9 | Very low | 30.3 | Very low | 92 Ų | 92 | 135.1 Ų | 135.1 | 76% | 0.76 | 78% | 0.776 | S | S | * | * | | | trans | -68.2 | 123.7 | 177.9 | 0 | 0 | 0 | 0 | 0 | 111.9 | Q481 | A479-Q481 PolarHBondContact O-N 3.19Å; A479-Q481 VanDerWaalsContact O-N 3.12Å |
| 480 | I | 30.4 | Very low | 30.7 | Very low | 152 Ų | 152 | 134.7 Ų | 134.7 | 78% | 0.779 | 77% | 0.774 | S | S | * | * | | | trans | -66.5 | 109.7 | 168.6 | -62.2 | 174.6 | 0 | 0 | 0 | 108.1 | P478 V482 | P478-I480 PolarHBondContact O-N 3.42Å; I480-V482 VanDerWaalsContact C-N 3.34Å; I480-V482 HydrophobicContact CG2-CG2 3.93Å; I480-V482 PolarHBondContact O-N 3.26Å |
| 481 | Q | 28.2 | Very low | 30.9 | Very low | 182 Ų | 182 | 132.8 Ų | 132.8 | 85% | 0.85 | 78% | 0.775 | S | S | * | * | | | trans | -69.2 | 90.1 | 169.9 | -71.7 | -97.7 | -62.9 | 0 | 0 | 109 | A479 D483 | A479-Q481 PolarHBondContact O-N 3.19Å; A479-Q481 VanDerWaalsContact O-N 3.12Å; Q481-D483 PolarHBondContact O-N 3.32Å |
| 482 | V | 33 | Very low | 31.3 | Very low | 107 Ų | 107 | 128.7 Ų | 128.7 | 65% | 0.648 | 77% | 0.77 | S | S | * | * | | | trans | -77.5 | 81.2 | 167.7 | -171.5 | 0 | 0 | 0 | 0 | 108 | I480 Q484 | I480-V482 VanDerWaalsContact C-N 3.34Å; I480-V482 HydrophobicContact CG2-CG2 3.93Å; I480-V482 PolarHBondContact O-N 3.26Å; V482-Q484 HydrophobicContact CG1-CG 4.01Å; V482-Q484 PolarHBondContact O-N 3.47Å |
| 483 | D | 30.7 | Very low | 31.7 | Very low | 118 Ų | 118 | 131.8 Ų | 131.8 | 63% | 0.631 | 77% | 0.767 | S | S | * | * | | | trans | -63 | 98.4 | 169.1 | -178.7 | -106.4 | 0 | 0 | 0 | 109.2 | Q481 T485 | Q481-D483 PolarHBondContact O-N 3.32Å; D483-T485 PolarHBondContact O-N 3.05Å; D483-T485 VanDerWaalsContact O-N 3.09Å; D483-T485 VanDerWaalsContact OD1-CB 3.29Å; D483-T485 WeakPolarHBondContact OD1-CB 3.29Å; D483-T485 WeakPolarHBondContact OD1-CG2 3.4Å; D483-T485 PolarHBondContact OD1-N 3.12Å; D483-T485 PolarHBondContact OD1-OG1 3.44Å |
| 484 | Q | 35.4 | Very low | 32.4 | Very low | 154 Ų | 154 | 132 Ų | 132 | 72% | 0.72 | 76% | 0.759 | S | S | * | * | | | trans | -83.7 | 70.2 | 169.8 | -67.3 | -169.9 | 33.3 | 0 | 0 | 109.2 | V482 L486 | V482-Q484 HydrophobicContact CG1-CG 4.01Å; V482-Q484 PolarHBondContact O-N 3.47Å; Q484-L486 PolarHBondContact O-N 3.44Å |
| 485 | T | 34.2 | Very low | 33.4 | Very low | 98 Ų | 98 | 131.1 Ų | 131.1 | 60% | 0.601 | 76% | 0.76 | S | S | * | * | | | trans | -63.7 | 78.9 | 162.1 | 21.9 | 0 | 0 | 0 | 0 | 109.2 | D483 T487 | D483-T485 PolarHBondContact O-N 3.05Å; D483-T485 VanDerWaalsContact O-N 3.09Å; D483-T485 VanDerWaalsContact OD1-CB 3.29Å; D483-T485 WeakPolarHBondContact OD1-CB 3.29Å; D483-T485 WeakPolarHBondContact OD1-CG2 3.4Å; D483-T485 PolarHBondContact OD1-N 3.12Å; D483-T485 PolarHBondContact OD1-OG1 3.44Å; T485-T487 PolarHBondContact O-N 3.07Å; T485-T487 PolarHBondContact O-OG1 3.32Å |
| 486 | L | 32.7 | Very low | 33.7 | Very low | 126 Ų | 126 | 126.8 Ų | 126.8 | 66% | 0.66 | 74% | 0.74 | S | S | * | * | | | trans | -79.6 | 67.1 | -176.7 | -145.1 | 165.6 | 0 | 0 | 0 | 109.3 | Q484 L488 | Q484-L486 PolarHBondContact O-N 3.44Å; L486-L488 VanDerWaalsContact C-N 3.3Å; L486-L488 HydrophobicContact CD2-CD1 4.35Å; L486-L488 HydrophobicContact CD2-CG 3.99Å; L486-L488 PolarHBondContact O-N 3.15Å |
| 487 | T | 30.1 | Very low | 34.3 | Very low | 113 Ų | 113 | 132.9 Ų | 132.9 | 69% | 0.693 | 75% | 0.745 | S | S | * | * | | | trans | -67.7 | 83.1 | -174.4 | -48.8 | 0 | 0 | 0 | 0 | 110.4 | T485 E489 | T485-T487 PolarHBondContact O-N 3.07Å; T485-T487 PolarHBondContact O-OG1 3.32Å; T487-E489 PolarHBondContact O-N 3.39Å |
| 488 | L | 29.6 | Very low | 34.8 | Very low | 144 Ų | 144 | 133.4 Ų | 133.4 | 75% | 0.754 | 74% | 0.744 | S | S | * | * | | | trans | -70.8 | 76.1 | 170.3 | -79.5 | 166.3 | 0 | 0 | 0 | 109.6 | L486 L490 | L486-L488 VanDerWaalsContact C-N 3.3Å; L486-L488 HydrophobicContact CD2-CD1 4.35Å; L486-L488 HydrophobicContact CD2-CG 3.99Å; L486-L488 PolarHBondContact O-N 3.15Å; L488-L490 PolarHBondContact O-N 2.97Å |
| 489 | E | 26.9 | Very low | 35.2 | Very low | 169 Ų | 169 | 137 Ų | 137 | 79% | 0.79 | 74% | 0.742 | S | S | * | * | | | trans | -66.2 | 94.3 | 178.9 | -159.2 | -167.4 | 134.1 | 0 | 0 | 110.3 | T487 P491 | T487-E489 PolarHBondContact O-N 3.39Å; E489-P491 VanDerWaalsContact O-CD 3.29Å; E489-P491 WeakPolarHBondContact O-CD 3.49Å |
| 490 | L | 37.5 | Very low | 36.2 | Very low | 155 Ų | 155 | 142.7 Ų | 142.7 | 81% | 0.812 | 74% | 0.744 | S | S | * | * | | | trans | -84.5 | 113.5 | 170.8 | -76.5 | 164.7 | 0 | 0 | 0 | 108.6 | L488 G492 | L488-L490 PolarHBondContact O-N 2.97Å; L490-G492 PolarHBondContact O-N 3.38Å |
| 491 | P | 33.8 | Very low | 36.7 | Very low | 116 Ų | 116 | 144.4 Ų | 144.4 | 75% | 0.753 | 75% | 0.751 | S | S | * | * | | | trans | -73 | 72.8 | 176.8 | 29.4 | -35.5 | 0 | 0 | 0 | 111.4 | E489 Q493 | E489-P491 VanDerWaalsContact O-CD 3.29Å; E489-P491 WeakPolarHBondContact O-CD 3.49Å; P491-Q493 VanDerWaalsContact C-N 3.32Å; P491-Q493 PolarHBondContact O-N 3.1Å |
| 492 | G | 34.4 | Very low | 37.3 | Very low | 68 Ų | 68 | 139.7 Ų | 139.7 | 70% | 0.701 | 74% | 0.743 | S | S | * | * | | | trans | -77.6 | 69 | -179 | 0 | 0 | 0 | 0 | 0 | 113.3 | L490 P494 | L490-G492 PolarHBondContact O-N 3.38Å; G492-P494 WeakPolarHBondContact O-CD 3.45Å |
| 493 | Q | 35.2 | Very low | 37.9 | Very low | 164 Ų | 164 | 138 Ų | 138 | 77% | 0.766 | 74% | 0.735 | S | S | * | * | | | trans | -61.9 | 118.7 | 175.9 | -82.7 | -73 | 4.1 | 0 | 0 | 112.2 | P491 | P491-Q493 VanDerWaalsContact C-N 3.32Å; P491-Q493 PolarHBondContact O-N 3.1Å |
| 494 | P | 42.3 | Very low | 38.5 | Very low | 114 Ų | 114 | 139.2 Ų | 139.2 | 74% | 0.74 | 75% | 0.747 | S | S | * | * | | | trans | -81 | 136.5 | 179.3 | 32 | -33.2 | 0 | 0 | 0 | 112.4 | G492 | G492-P494 WeakPolarHBondContact O-CD 3.45Š|
| 495 | G | 49.7 | Very low | 39.1 | Very low | 84 Ų | 84 | 135.5 Ų | 135.5 | 87% | 0.866 | 74% | 0.738 | S | S | * | * | S | Bend | trans | 91.4 | -9.9 | 158.8 | 0 | 0 | 0 | 0 | 0 | 118.9 | | |
| 496 | E | 39.4 | Very low | 39.7 | Very low | 117 Ų | 117 | 137.8 Ų | 137.8 | 55% | 0.547 | 75% | 0.754 | S | S | . | * | | | trans | -72.5 | 132.9 | 178.1 | -88.6 | -131.4 | 109.8 | 0 | 0 | 113.7 | K498 R499 | E496-K498 PolarHBondContact O-N 3.07Å; E496-R499 VanDerWaalsContact CD-NE 3.27Å; E496-R499 IonicContact OE1-CZ 2.72Å; E496-R499 VanDerWaalsContact OE1-CZ 3.22Å; E496-R499 IonicContact OE1-NE 3.68Å; E496-R499 PolarHBondContact OE1-NE 3.43Å; E496-R499 IonicContact OE1-NH2 2.78Å; E496-R499 PolarHBondContact OE1-NH2 3Å; E496-R499 WeakPolarHBondContact OE2-CD 3.33Å; E496-R499 IonicContact OE2-CZ 2.71Å; E496-R499 IonicContact OE2-NE 3.19Å; E496-R499 PolarHBondContact OE2-NE 3.44Å; E496-R499 IonicContact OE2-NH2 3.82Å |
| 497 | K | 43.7 | Very low | 40.1 | Very low | 205 Ų | 205 | 137.3 Ų | 137.3 | 89% | 0.891 | 75% | 0.752 | S | S | * | * | | | trans | -67.2 | 82.9 | 178.2 | -69.7 | 174 | 179.1 | 168.4 | 0 | 112.3 | R499 | K497-R499 VanDerWaalsContact C-N 3.34Å; K497-R499 PolarHBondContact O-N 3.3Å |
| 498 | K | 41.4 | Very low | 40.9 | Very low | 206 Ų | 206 | 134.2 Ų | 134.2 | 90% | 0.896 | 74% | 0.735 | S | S | * | * | | | trans | 22.1 | 66 | 169.5 | -75.7 | -173.1 | 176 | 175.3 | 0 | 114 | E496 R500 | E496-K498 PolarHBondContact O-N 3.07Å; K498-R500 PolarHBondContact O-N 3Å |
| 499 | R | 44.1 | Very low | 41.9 | Very low | 192 Ų | 192 | 136.6 Ų | 136.6 | 73% | 0.725 | 74% | 0.739 | S | S | * | * | | | trans | -55.6 | 136.2 | 168.2 | -66.6 | -170.2 | -171.8 | -126.7 | -0 | 107.7 | E496 K497 M501 | E496-R499 VanDerWaalsContact CD-NE 3.27Å; E496-R499 IonicContact OE1-CZ 2.72Å; E496-R499 VanDerWaalsContact OE1-CZ 3.22Å; E496-R499 IonicContact OE1-NE 3.68Å; E496-R499 PolarHBondContact OE1-NE 3.43Å; E496-R499 IonicContact OE1-NH2 2.78Å; E496-R499 PolarHBondContact OE1-NH2 3Å; E496-R499 WeakPolarHBondContact OE2-CD 3.33Å; E496-R499 IonicContact OE2-CZ 2.71Å; E496-R499 IonicContact OE2-NE 3.19Å; E496-R499 PolarHBondContact OE2-NE 3.44Å; E496-R499 IonicContact OE2-NH2 3.82Å; K497-R499 VanDerWaalsContact C-N 3.34Å; K497-R499 PolarHBondContact O-N 3.3Å; R499-M501 PolarHBondContact O-N 3.35Å |
| 500 | R | 47.5 | Very low | 43.1 | Very low | 213 Ų | 213 | 132.1 Ų | 132.1 | 80% | 0.804 | 72% | 0.72 | S | S | * | * | | | trans | -66.3 | 129.2 | 178.2 | -74.8 | -159.5 | -67.7 | -101.5 | 1.4 | 108.7 | K498 A502 | K498-R500 PolarHBondContact O-N 3Å; R500-A502 PolarHBondContact O-N 3.14Å |
| 501 | M | 40.4 | Very low | 43.8 | Very low | 187 Ų | 187 | 128.7 Ų | 128.7 | 92% | 0.921 | 72% | 0.715 | S | S | * | * | | | trans | -40.9 | 124.9 | 173.8 | -153.6 | 76.5 | 99.3 | 0 | 0 | 110.2 | R499 | R499-M501 PolarHBondContact O-N 3.35Š|
| 502 | A | 41 | Very low | 44.6 | Very low | 84 Ų | 84 | 130.6 Ų | 130.6 | 69% | 0.694 | 72% | 0.718 | S | S | * | * | | | trans | -64.2 | 157.5 | -178.9 | 0 | 0 | 0 | 0 | 0 | 111 | R500 T504 | R500-A502 PolarHBondContact O-N 3.14Å; A502-T504 PolarHBondContact O-N 2.87Å |
| 503 | C | 47 | Very low | 45.2 | Very low | 70 Ų | 70 | 134.1 Ų | 134.1 | 47% | 0.473 | 71% | 0.714 | S | S | . | * | | | trans | -77.5 | 104.9 | 173.2 | 43.8 | 0 | 0 | 0 | 0 | 109.9 | C505 C508 | C503-C505 PolarHBondContact O-N 3.28Å; C503-C508 HydrophobicContact CB-CB 3.9Å; C503-C508 WeakPolarHBondContact CB-SG 3.32Å; C503-C508 WeakPolarHBondContact SG-CB 3.29Å; C503-C508 CovalentContact SG-SG 2.04Å; C503-C508 PolarHBondContact SG-SG 3.39Å |
| 504 | T | 41.6 | Very low | 45.3 | Very low | 145 Ų | 145 | 137.1 Ų | 137.1 | 89% | 0.89 | 72% | 0.719 | S | S | * | * | | | trans | -69.9 | 22.6 | 173 | -11.5 | 0 | 0 | 0 | 0 | 113.7 | A502 | A502-T504 PolarHBondContact O-N 2.87Š|
| 505 | C | 48 | Very low | 45.7 | Very low | 76 Ų | 76 | 138.5 Ų | 138.5 | 51% | 0.514 | 73% | 0.728 | S | S | . | * | | | trans | -95 | 127.1 | -174.2 | -57.7 | 0 | 0 | 0 | 0 | 110.2 | C503 N507 C508 | C503-C505 PolarHBondContact O-N 3.28Å; C505-N507 PolarHBondContact O-N 3.2Å; C505-C508 HydrophobicContact CB-CB 4.39Å; C505-C508 WeakPolarHBondContact O-CB 3.33Å; C505-C508 PolarHBondContact O-N 2.84Å |
| 506 | P | 47 | Very low | 45.8 | Very low | 145 Ų | 145 | 137.8 Ų | 137.8 | 94% | 0.942 | 72% | 0.72 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -70.3 | 17.7 | -176.5 | 29.6 | -36.8 | 0 | 0 | 0 | 115.3 | | |
| 507 | N | 41.5 | Very low | 46 | Very low | 117 Ų | 117 | 139 Ų | 139 | 63% | 0.626 | 73% | 0.726 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -144.6 | 28.9 | 175.7 | -150.3 | -26 | 0 | 0 | 0 | 111.8 | C505 K509 | C505-N507 PolarHBondContact O-N 3.2Å; N507-K509 PolarHBondContact O-N 2.81Å; N507-K509 VanDerWaalsContact O-N 3.12Å |
| 508 | C | 47.4 | Very low | 46.5 | Very low | 48 Ų | 48 | 135.9 Ų | 135.9 | 32% | 0.324 | 72% | 0.724 | S | S | . | * | | | trans | -83.2 | 80.7 | -177 | -162.6 | 0 | 0 | 0 | 0 | 112.2 | C503 C505 D510 | C503-C508 HydrophobicContact CB-CB 3.9Å; C503-C508 WeakPolarHBondContact CB-SG 3.32Å; C503-C508 WeakPolarHBondContact SG-CB 3.29Å; C503-C508 CovalentContact SG-SG 2.04Å; C503-C508 PolarHBondContact SG-SG 3.39Å; C505-C508 HydrophobicContact CB-CB 4.39Å; C505-C508 WeakPolarHBondContact O-CB 3.33Å; C505-C508 PolarHBondContact O-N 2.84Å; C508-D510 PolarHBondContact O-N 3.45Å |
| 509 | K | 49.8 | Very low | 47.1 | Very low | 193 Ų | 193 | 128.4 Ų | 128.4 | 84% | 0.839 | 71% | 0.705 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -66.4 | 22 | -177.9 | -62.4 | -171 | 176.1 | -173.4 | 0 | 116.5 | N507 | N507-K509 PolarHBondContact O-N 2.81Å; N507-K509 VanDerWaalsContact O-N 3.12Å |
| 510 | D | 53 | Low | 47.6 | Very low | 75 Ų | 75 | 128.2 Ų | 128.2 | 40% | 0.401 | 71% | 0.709 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -111.8 | 14.9 | -168.9 | -105.9 | -46.3 | 0 | 0 | 0 | 113.6 | C508 | C508-D510 PolarHBondContact O-N 3.45Š|
| 511 | A | 51.1 | Low | 48.1 | Very low | 84 Ų | 84 | 124.8 Ų | 124.8 | 69% | 0.694 | 70% | 0.696 | S | S | * | * | S | Bend | trans | -71.6 | -47.4 | -174.7 | 0 | 0 | 0 | 0 | 0 | 113.9 | K513 | A511-K513 PolarHBondContact O-N 3.35Š|
| 512 | D | 50.5 | Low | 49.6 | Very low | 156 Ų | 156 | 123 Ų | 123 | 83% | 0.834 | 68% | 0.683 | S | S | * | * | | | trans | -87.9 | 1.1 | -162.5 | -70.3 | -83.7 | 0 | 0 | 0 | 117.2 | R514 | D512-R514 PolarHBondContact O-N 3.21Š|
| 513 | K | 47.1 | Very low | 51.5 | Low | 141 Ų | 141 | 121.7 Ų | 121.7 | 61% | 0.613 | 66% | 0.663 | S | S | * | * | | | trans | -77.2 | 97.4 | 177.2 | -100.1 | -175.2 | 179.9 | -74.1 | 0 | 111.8 | A511 E517 | A511-K513 PolarHBondContact O-N 3.35Å; K513-E517 IonicContact NZ-OE2 2.8Å; K513-E517 PolarHBondContact NZ-OE2 3.23Å |
| 514 | R | 38.1 | Very low | 53.2 | Low | 228 Ų | 228 | 121.7 Ų | 121.7 | 86% | 0.86 | 66% | 0.657 | S | S | * | * | | | trans | -41 | 149.1 | 168.9 | -78.3 | -176.3 | 168.6 | 103.3 | -5.2 | 113.2 | D512 G516 | D512-R514 PolarHBondContact O-N 3.21Å; R514-G516 PolarHBondContact O-N 3.34Å; R514-G516 VanDerWaalsContact O-N 3.11Å |
| 515 | P | 50.4 | Low | 55.3 | Low | 143 Ų | 143 | 115 Ų | 115 | 93% | 0.929 | 62% | 0.617 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -70 | 107.1 | -177.5 | 29.2 | -35 | 0 | 0 | 0 | 112 | | |
| 516 | G | 51.9 | Low | 56.9 | Low | 68 Ų | 68 | 118.6 Ų | 118.6 | 70% | 0.701 | 63% | 0.625 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -173.8 | -55.5 | 173.9 | 0 | 0 | 0 | 0 | 0 | 112.5 | R514 V518 | R514-G516 PolarHBondContact O-N 3.34Å; R514-G516 VanDerWaalsContact O-N 3.11Å; G516-V518 PolarHBondContact O-N 3.47Å |
| 517 | E | 43.9 | Very low | 58.6 | Low | 143 Ų | 143 | 114.4 Ų | 114.4 | 67% | 0.668 | 60% | 0.597 | S | S | * | * | | | trans | -74.8 | 113.2 | 172.4 | -81.6 | -162.9 | 100.7 | 0 | 0 | 111.6 | K513 G519 | K513-E517 IonicContact NZ-OE2 2.8Å; K513-E517 PolarHBondContact NZ-OE2 3.23Å; E517-G519 PolarHBondContact O-N 2.71Å |
| 518 | V | 54.7 | Low | 60.3 | Low | 140 Ų | 140 | 113.7 Ų | 113.7 | 85% | 0.848 | 61% | 0.607 | S | S | * | * | | | trans | -79 | 50.6 | 164.3 | -166.1 | 0 | 0 | 0 | 0 | 110.2 | G516 K520 | G516-V518 PolarHBondContact O-N 3.47Å; V518-K520 PolarHBondContact O-N 2.71Å |
| 519 | G | 53.2 | Low | 61.7 | Low | 48 Ų | 48 | 115.7 Ų | 115.7 | 50% | 0.495 | 64% | 0.636 | S | S | . | * | | | trans | -59.6 | 123.5 | 166.5 | 0 | 0 | 0 | 0 | 0 | 109 | E517 R521 | E517-G519 PolarHBondContact O-N 2.71Å; G519-R521 PolarHBondContact O-N 3.4Å |
| 520 | K | 54.9 | Low | 63.1 | Low | 188 Ų | 188 | 107 Ų | 107 | 82% | 0.817 | 60% | 0.599 | S | S | * | * | | | trans | -70.6 | 89.5 | -173.8 | -67.1 | 158.8 | -172.1 | 160.6 | 0 | 109.4 | V518 K522 | V518-K520 PolarHBondContact O-N 2.71Å; K520-K522 PolarHBondContact O-N 2.92Å; K520-K522 VanDerWaalsContact O-N 3.13Å |
| 521 | R | 57.9 | Low | 64.3 | Low | 141 Ų | 141 | 111.6 Ų | 111.6 | 53% | 0.532 | 62% | 0.619 | S | S | . | * | | | trans | -43.4 | 119.3 | 177.9 | -66 | -168.3 | -169.5 | -177.6 | -1.3 | 109.5 | G519 | G519-R521 PolarHBondContact O-N 3.4Š|
| 522 | K | 72.8 | Confident | 65.7 | Low | 149 Ų | 149 | 113.5 Ų | 113.5 | 65% | 0.648 | 61% | 0.611 | S | S | * | * | | | trans | -82 | 123.9 | -173.6 | -62.2 | 177.4 | -172.9 | 170.8 | 0 | 108 | K520 I524 | K520-K522 PolarHBondContact O-N 2.92Å; K520-K522 VanDerWaalsContact O-N 3.13Å; K522-I524 HydrophobicContact CB-CG1 4.38Å; K522-I524 PolarHBondContact O-N 3Å |
| 523 | H | 80.4 | Confident | 67.4 | Low | 58 Ų | 58 | 110 Ų | 110 | 27% | 0.269 | 60% | 0.595 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -84.7 | 94.7 | 176.6 | -61 | -66 | 0 | 0 | 0 | 108.8 | F534 T537 L540 | H523-F534 HydrophobicContact CB-CB 4.33Å; H523-F534 WeakPolarHBondContact CB-O 3.34Å; H523-F534 PolarHBondContact N-O 3.39Å; H523-F534 PolarHBondContact O-N 2.96Å; H523-T537 PolarHBondContact CD2-N 3.31Å; H523-T537 VanDerWaalsContact CD2-N 3.28Å; H523-T537 WeakPolarHBondContact CE1-CG2 3.47Å; H523-L540 HydrophobicContact CB-CB 4.02Å; H523-L540 HydrophobicContact CB-CD2 3.86Å |
| 524 | I | 82.1 | Confident | 69.2 | Low | 70 Ų | 70 | 105.4 Ų | 105.4 | 36% | 0.359 | 58% | 0.576 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -81.4 | 139.9 | -176.9 | -47.2 | -171.3 | 0 | 0 | 0 | 109.8 | K522 H526 T533 L540 | K522-I524 HydrophobicContact CB-CG1 4.38Å; K522-I524 PolarHBondContact O-N 3Å; I524-H526 PolarHBondContact O-CE1 2.78Å; I524-H526 VanDerWaalsContact O-CE1 3.29Å; I524-H526 PolarHBondContact O-ND1 3.45Å; I524-T533 HydrophobicContact CB-CG2 4.39Å; I524-T533 HydrophobicContact CD1-CG2 4.3Å; I524-T533 HydrophobicContact CG1-CG2 3.88Å; I524-T533 HydrophobicContact CG2-CG2 4.18Å; I524-L540 WeakPolarHBondContact O-CD2 3.28Å |
| 525 | C | 86 | Confident | 71.3 | Confident | 5 Ų | 5 | 104.4 Ų | 104.4 | 3% | 0.034 | 57% | 0.572 | C | S | . | * | | | trans | -82.1 | 130.2 | 167.5 | -167.1 | 0 | 0 | 0 | 0 | 109.4 | C530 K532 F534 L540 H543 | C525-C530 VanDerWaalsContact CB-O 3.28Å; C525-C530 WeakPolarHBondContact CB-O 3.41Å; C525-C530 VanDerWaalsContact O-O 3.08Å; C525-K532 WeakPolarHBondContact CB-O 3.47Å; C525-K532 PolarHBondContact N-O 3.29Å; C525-F534 HydrophobicContact CB-CE2 4.43Å; C525-L540 HydrophobicContact CB-CD1 3.64Å; C525-H543 VanDerWaalsContact SG-CD2 3.51Å; C525-H543 PolarHBondContact SG-NE2 2.8Å; C525-H543 VanDerWaalsContact SG-NE2 3.44Å |
| 526 | H | 81.2 | Confident | 72.7 | Confident | 150 Ų | 150 | 103.8 Ų | 103.8 | 69% | 0.694 | 55% | 0.554 | S | S | * | * | | | trans | -109.9 | 18.9 | -175 | -61.6 | 77.7 | 0 | 0 | 0 | 111.7 | I524 | I524-H526 PolarHBondContact O-CE1 2.78Å; I524-H526 VanDerWaalsContact O-CE1 3.29Å; I524-H526 PolarHBondContact O-ND1 3.45Å |
| 527 | V | 83.1 | Confident | 74.1 | Confident | 58 Ų | 58 | 104.2 Ų | 104.2 | 35% | 0.352 | 54% | 0.544 | S | S | . | . | B | Isolated β-bridge | trans | -76.8 | 134.8 | 172.4 | 177 | 0 | 0 | 0 | 0 | 108.1 | G529 C530 H547 | V527-G529 PolarHBondContact O-N 3.37Å; V527-C530 HydrophobicContact CB-CB 4.5Å; V527-C530 PolarHBondContact O-N 2.92Å; V527-H547 HydrophobicContact CG1-CB 4.23Å; V527-H547 HydrophobicContact CG2-CB 4.36Å |
| 528 | A | 77.6 | Confident | 75.8 | Confident | 101 Ų | 101 | 100.9 Ų | 100.9 | 84% | 0.835 | 54% | 0.536 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -51.2 | 133.4 | 178.6 | 0 | 0 | 0 | 0 | 0 | 111.1 | C530 | A528-C530 VanDerWaalsContact C-N 3.31Å; A528-C530 PolarHBondContact O-N 3.42Å |
| 529 | G | 75.7 | Confident | 77.2 | Confident | 91 Ų | 91 | 97.5 Ų | 97.5 | 94% | 0.938 | 51% | 0.513 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 71.9 | 12.2 | -174.7 | 0 | 0 | 0 | 0 | 0 | 115.7 | V527 | V527-G529 PolarHBondContact O-N 3.37Š|
| 530 | C | 78.8 | Confident | 78.7 | Confident | 9 Ų | 9 | 96.8 Ų | 96.8 | 6% | 0.061 | 50% | 0.498 | C | S | . | . | B | Isolated β-bridge | trans | -142.6 | 75.3 | -178.3 | -145.4 | 0 | 0 | 0 | 0 | 116.6 | C525 V527 A528 K532 H547 | C525-C530 VanDerWaalsContact CB-O 3.28Å; C525-C530 WeakPolarHBondContact CB-O 3.41Å; C525-C530 VanDerWaalsContact O-O 3.08Å; V527-C530 HydrophobicContact CB-CB 4.5Å; V527-C530 PolarHBondContact O-N 2.92Å; A528-C530 VanDerWaalsContact C-N 3.31Å; A528-C530 PolarHBondContact O-N 3.42Å; C530-K532 PolarHBondContact O-N 3.12Å; C530-H547 WeakPolarHBondContact CB-NE2 3.49Å; C530-H547 PolarHBondContact SG-CE1 2.81Å; C530-H547 PolarHBondContact SG-NE2 2.7Å; C530-H547 VanDerWaalsContact SG-NE2 3.41Å |
| 531 | E | 78.9 | Confident | 80 | Confident | 173 Ų | 173 | 96.7 Ų | 96.7 | 81% | 0.808 | 49% | 0.492 | S | S | * | . | | | trans | -73.3 | 22.7 | -179.7 | -51.7 | -175.1 | 156.4 | 0 | 0 | 115.4 | T533 | E531-T533 WeakPolarHBondContact O-CG2 3.49Å; E531-T533 PolarHBondContact O-N 2.96Å |
| 532 | K | 81.3 | Confident | 81.1 | Confident | 124 Ų | 124 | 90.9 Ų | 90.9 | 54% | 0.539 | 47% | 0.474 | S | S | . | . | | | trans | -68.6 | 124.8 | -169.7 | -70 | 176.2 | -175 | 163.2 | 0 | 111.1 | C525 C530 F534 | C525-K532 WeakPolarHBondContact CB-O 3.47Å; C525-K532 PolarHBondContact N-O 3.29Å; C530-K532 PolarHBondContact O-N 3.12Å; K532-F534 HydrophobicContact CB-CE2 3.66Å; K532-F534 HydrophobicContact CB-CZ 3.82Å; K532-F534 VanDerWaalsContact O-CD2 3.31Å; K532-F534 WeakPolarHBondContact O-CD2 3.09Å; K532-F534 WeakPolarHBondContact O-CE2 3.33Å |
| 533 | T | 84.9 | Confident | 81.6 | Confident | 81 Ų | 81 | 84.5 Ų | 84.5 | 50% | 0.497 | 45% | 0.446 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.3 | 135.5 | -177.7 | 73.7 | 0 | 0 | 0 | 0 | 112.5 | I524 E531 | I524-T533 HydrophobicContact CB-CG2 4.39Å; I524-T533 HydrophobicContact CD1-CG2 4.3Å; I524-T533 HydrophobicContact CG1-CG2 3.88Å; I524-T533 HydrophobicContact CG2-CG2 4.18Å; E531-T533 WeakPolarHBondContact O-CG2 3.49Å; E531-T533 PolarHBondContact O-N 2.96Å |
| 534 | F | 84.8 | Confident | 81.7 | Confident | 46 Ų | 46 | 84.1 Ų | 84.1 | 20% | 0.202 | 45% | 0.448 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.7 | 144.6 | -173.4 | -62.4 | -85.9 | 0 | 0 | 0 | 112.8 | H523 C525 K532 K536 L539 L540 H543 | H523-F534 HydrophobicContact CB-CB 4.33Å; H523-F534 WeakPolarHBondContact CB-O 3.34Å; H523-F534 PolarHBondContact N-O 3.39Å; H523-F534 PolarHBondContact O-N 2.96Å; C525-F534 HydrophobicContact CB-CE2 4.43Å; K532-F534 HydrophobicContact CB-CE2 3.66Å; K532-F534 HydrophobicContact CB-CZ 3.82Å; K532-F534 VanDerWaalsContact O-CD2 3.31Å; K532-F534 WeakPolarHBondContact O-CD2 3.09Å; K532-F534 WeakPolarHBondContact O-CE2 3.33Å; F534-K536 VanDerWaalsContact C-N 3.31Å; F534-K536 PolarHBondContact O-N 3.39Å; F534-L539 HydrophobicContact CB-CB 4.13Å; F534-L539 HydrophobicContact CD1-CB 3.83Å; F534-L539 HydrophobicContact CG-CB 4.26Å; F534-L540 HydrophobicContact CB-CB 4.29Å; F534-L540 HydrophobicContact CD2-CB 4.09Å; F534-L540 HydrophobicContact CD2-CD1 3.93Å; F534-L540 HydrophobicContact CE2-CD1 4.23Å; F534-L540 HydrophobicContact CG-CB 4.36Å; F534-H543 HydrophobicContact CE1-CB 4.03Å; F534-H543 HydrophobicContact CE2-CB 3.86Å; F534-H543 AromaticContact CE2-CD2 3.24Å; F534-H543 WeakPolarHBondContact CE2-CD2 3.21Å; F534-H543 AromaticContact CE2-CG 3.62Å; F534-H543 HydrophobicContact CZ-CB 3.48Å; F534-H543 VanDerWaalsContact CZ-CB 3.48Å; F534-H543 AromaticContact CZ-CD2 3.42Å; F534-H543 VanDerWaalsContact CZ-CD2 3.42Å; F534-H543 WeakPolarHBondContact CZ-CD2 3.31Å; F534-H543 AromaticContact CZ-CG 3.31Å |
| 535 | R | 82.5 | Confident | 81.6 | Confident | 206 Ų | 206 | 84.4 Ų | 84.4 | 78% | 0.777 | 45% | 0.445 | S | S | * | . | S | Bend | trans | -80.4 | -4.2 | 179 | -63.3 | -177.6 | -179.9 | -179.4 | -0.3 | 114.7 | | |
| 536 | K | 80.1 | Confident | 81.3 | Confident | 131 Ų | 131 | 89.5 Ų | 89.5 | 57% | 0.57 | 47% | 0.471 | S | S | * | . | S | Bend | trans | -148.7 | 141.2 | -179.9 | -63.1 | -172.5 | 177.5 | -174.2 | 0 | 110.8 | F534 S538 L539 L540 | F534-K536 VanDerWaalsContact C-N 3.31Å; F534-K536 PolarHBondContact O-N 3.39Å; K536-S538 PolarHBondContact O-N 2.85Å; K536-L539 HydrophobicContact CB-CD1 4.19Å; K536-L539 HydrophobicContact CB-CG 4.2Å; K536-L539 HydrophobicContact CG-CD1 4.48Å; K536-L539 PolarHBondContact O-N 2.72Å; K536-L539 VanDerWaalsContact O-N 3.08Å; K536-L540 PolarHBondContact O-N 3.26Å |
| 537 | T | 81.3 | Confident | 81.1 | Confident | 77 Ų | 77 | 86.1 Ų | 86.1 | 47% | 0.472 | 46% | 0.455 | S | S | . | . | H | α-helix | trans | -54.4 | -38.3 | 173.5 | 50.1 | 0 | 0 | 0 | 0 | 113 | H523 L539 L540 R541 | H523-T537 PolarHBondContact CD2-N 3.31Å; H523-T537 VanDerWaalsContact CD2-N 3.28Å; H523-T537 WeakPolarHBondContact CE1-CG2 3.47Å; T537-L539 VanDerWaalsContact C-N 3.31Å; T537-L539 PolarHBondContact O-N 3.3Å; T537-L540 PolarHBondContact O-N 2.92Å; T537-R541 WeakPolarHBondContact O-CG 3.04Å; T537-R541 PolarHBondContact O-N 2.84Å |
| 538 | S | 80.8 | Confident | 80.8 | Confident | 73 Ų | 73 | 87.4 Ų | 87.4 | 51% | 0.51 | 46% | 0.463 | S | S | . | . | H | α-helix | trans | -65 | -32.1 | 178.2 | 54 | 0 | 0 | 0 | 0 | 113.3 | K536 A542 | K536-S538 PolarHBondContact O-N 2.85Å; S538-A542 VanDerWaalsContact O-CB 3.29Å; S538-A542 WeakPolarHBondContact O-CB 3.5Å; S538-A542 PolarHBondContact O-N 2.93Å |
| 539 | L | 83.4 | Confident | 80.7 | Confident | 68 Ų | 68 | 85 Ų | 85 | 36% | 0.356 | 45% | 0.448 | S | S | . | . | H | α-helix | trans | -74.3 | -40 | 174.6 | -66.2 | 173.6 | 0 | 0 | 0 | 111.2 | F534 K536 T537 A542 H543 | F534-L539 HydrophobicContact CB-CB 4.13Å; F534-L539 HydrophobicContact CD1-CB 3.83Å; F534-L539 HydrophobicContact CG-CB 4.26Å; K536-L539 HydrophobicContact CB-CD1 4.19Å; K536-L539 HydrophobicContact CB-CG 4.2Å; K536-L539 HydrophobicContact CG-CD1 4.48Å; K536-L539 PolarHBondContact O-N 2.72Å; K536-L539 VanDerWaalsContact O-N 3.08Å; T537-L539 VanDerWaalsContact C-N 3.31Å; T537-L539 PolarHBondContact O-N 3.3Å; L539-A542 PolarHBondContact O-N 3.02Å; L539-H543 WeakPolarHBondContact O-CB 3.5Å; L539-H543 PolarHBondContact O-N 2.78Å |
| 540 | L | 84.9 | Confident | 80.8 | Confident | 34 Ų | 34 | 85.9 Ų | 85.9 | 18% | 0.178 | 43% | 0.428 | C | S | . | . | H | α-helix | trans | -61.3 | -49.1 | 172.3 | 174.6 | 60 | 0 | 0 | 0 | 111.1 | H523 I524 C525 F534 K536 T537 A542 H543 V544 | H523-L540 HydrophobicContact CB-CB 4.02Å; H523-L540 HydrophobicContact CB-CD2 3.86Å; I524-L540 WeakPolarHBondContact O-CD2 3.28Å; C525-L540 HydrophobicContact CB-CD1 3.64Å; F534-L540 HydrophobicContact CB-CB 4.29Å; F534-L540 HydrophobicContact CD2-CB 4.09Å; F534-L540 HydrophobicContact CD2-CD1 3.93Å; F534-L540 HydrophobicContact CE2-CD1 4.23Å; F534-L540 HydrophobicContact CG-CB 4.36Å; K536-L540 PolarHBondContact O-N 3.26Å; T537-L540 PolarHBondContact O-N 2.92Å; L540-A542 VanDerWaalsContact C-N 3.33Å; L540-A542 PolarHBondContact O-N 3.46Å; L540-H543 CarbonylContact O-C 3.57Å; L540-H543 WeakPolarHBondContact O-CA 3.49Å; L540-H543 WeakPolarHBondContact O-CB 3.45Å; L540-H543 PolarHBondContact O-N 3.19Å; L540-V544 HydrophobicContact CD1-CG2 3.94Å; L540-V544 HydrophobicContact CG-CG2 4.37Å; L540-V544 WeakPolarHBondContact O-CG2 3.46Å; L540-V544 PolarHBondContact O-N 2.92Å |
| 541 | R | 81.4 | Confident | 80.8 | Confident | 186 Ų | 186 | 91.7 Ų | 91.7 | 70% | 0.702 | 45% | 0.448 | S | S | * | . | H | α-helix | trans | -57.9 | -43.5 | 176.5 | -73 | 178.4 | 177.2 | -178.2 | -2.5 | 112.2 | T537 H543 V544 R545 | T537-R541 WeakPolarHBondContact O-CG 3.04Å; T537-R541 PolarHBondContact O-N 2.84Å; R541-H543 VanDerWaalsContact C-N 3.27Å; R541-H543 PolarHBondContact O-N 3.41Å; R541-V544 PolarHBondContact O-N 2.93Å; R541-R545 WeakPolarHBondContact O-CG 3.49Å; R541-R545 PolarHBondContact O-N 3.12Å |
| 542 | A | 81.4 | Confident | 80.8 | Confident | 18 Ų | 18 | 86.4 Ų | 86.4 | 15% | 0.149 | 43% | 0.429 | C | S | . | . | H | α-helix | trans | -68.3 | -24.2 | 175.9 | 0 | 0 | 0 | 0 | 0 | 113.7 | S538 L539 L540 R566 | S538-A542 VanDerWaalsContact O-CB 3.29Å; S538-A542 WeakPolarHBondContact O-CB 3.5Å; S538-A542 PolarHBondContact O-N 2.93Å; L539-A542 PolarHBondContact O-N 3.02Å; L540-A542 VanDerWaalsContact C-N 3.33Å; L540-A542 PolarHBondContact O-N 3.46Å; A542-R566 HydrophobicContact CB-CG 3.88Å |
| 543 | H | 83.7 | Confident | 80.8 | Confident | 15 Ų | 15 | 83.6 Ų | 83.6 | 7% | 0.069 | 42% | 0.417 | C | S | . | . | H | α-helix | trans | -80.8 | -40.8 | 173.4 | 168.6 | 55.2 | 0 | 0 | 0 | 112.5 | C525 F534 L539 L540 R541 R545 L546 H547 | C525-H543 VanDerWaalsContact SG-CD2 3.51Å; C525-H543 PolarHBondContact SG-NE2 2.8Å; C525-H543 VanDerWaalsContact SG-NE2 3.44Å; F534-H543 HydrophobicContact CE1-CB 4.03Å; F534-H543 HydrophobicContact CE2-CB 3.86Å; F534-H543 AromaticContact CE2-CD2 3.24Å; F534-H543 WeakPolarHBondContact CE2-CD2 3.21Å; F534-H543 AromaticContact CE2-CG 3.62Å; F534-H543 HydrophobicContact CZ-CB 3.48Å; F534-H543 VanDerWaalsContact CZ-CB 3.48Å; F534-H543 AromaticContact CZ-CD2 3.42Å; F534-H543 VanDerWaalsContact CZ-CD2 3.42Å; F534-H543 WeakPolarHBondContact CZ-CD2 3.31Å; F534-H543 AromaticContact CZ-CG 3.31Å; L539-H543 WeakPolarHBondContact O-CB 3.5Å; L539-H543 PolarHBondContact O-N 2.78Å; L540-H543 CarbonylContact O-C 3.57Å; L540-H543 WeakPolarHBondContact O-CA 3.49Å; L540-H543 WeakPolarHBondContact O-CB 3.45Å; L540-H543 PolarHBondContact O-N 3.19Å; R541-H543 VanDerWaalsContact C-N 3.27Å; R541-H543 PolarHBondContact O-N 3.41Å; H543-R545 PolarHBondContact O-N 3.22Å; H543-L546 WeakPolarHBondContact O-CA 3.47Å; H543-L546 WeakPolarHBondContact O-CB 3.4Å; H543-L546 PolarHBondContact O-N 3.4Å; H543-H547 AromaticContact CE1-CD2 3.99Å; H543-H547 AromaticContact CE1-CE1 3.83Å; H543-H547 AromaticContact CE1-NE2 3.22Å; H543-H547 PolarHBondContact CE1-NE2 2.9Å; H543-H547 AromaticContact NE2-CD2 3.85Å; H543-H547 AromaticContact NE2-NE2 3.12Å; H543-H547 PolarHBondContact NE2-NE2 3.24Å; H543-H547 VanDerWaalsContact NE2-NE2 3.12Å |
| 544 | V | 81.1 | Confident | 80.8 | Confident | 50 Ų | 50 | 83.1 Ų | 83.1 | 30% | 0.303 | 41% | 0.414 | S | S | . | . | H | α-helix | trans | -59.7 | -33.2 | 176 | 172.1 | 0 | 0 | 0 | 0 | 111.2 | L540 R541 L546 H547 T548 | L540-V544 HydrophobicContact CD1-CG2 3.94Å; L540-V544 HydrophobicContact CG-CG2 4.37Å; L540-V544 WeakPolarHBondContact O-CG2 3.46Å; L540-V544 PolarHBondContact O-N 2.92Å; R541-V544 PolarHBondContact O-N 2.93Å; V544-L546 PolarHBondContact O-N 3.44Å; V544-L546 VanDerWaalsContact O-N 3.14Å; V544-H547 WeakPolarHBondContact O-CA 3.29Å; V544-H547 WeakPolarHBondContact O-CB 3.46Å; V544-H547 PolarHBondContact O-N 3.38Å; V544-T548 HydrophobicContact CG1-CG2 4.29Å; V544-T548 PolarHBondContact O-N 3.42Å; V544-T548 PolarHBondContact O-OG1 2.99Å |
| 545 | R | 81.2 | Confident | 81 | Confident | 77 Ų | 77 | 81.3 Ų | 81.3 | 29% | 0.291 | 41% | 0.407 | S | S | . | . | H | α-helix | trans | -61.7 | -13.9 | 170.1 | -71.3 | -176.6 | 177.8 | 162.9 | 0.3 | 115.8 | R541 H543 T548 G549 E550 T565 | R541-R545 WeakPolarHBondContact O-CG 3.49Å; R541-R545 PolarHBondContact O-N 3.12Å; H543-R545 PolarHBondContact O-N 3.22Å; R545-T548 WeakPolarHBondContact CA-OG1 3.43Å; R545-G549 CarbonylContact O-C 3.29Å; R545-G549 PolarHBondContact O-N 3.02Å; R545-E550 HydrophobicContact CB-CB 4.33Å; R545-E550 HydrophobicContact CG-CB 4.04Å; R545-E550 IonicContact NE-OE2 3.28Å; R545-E550 PolarHBondContact O-N 2.79Å; R545-T565 HydrophobicContact CB-CG2 4.26Å; R545-T565 PolarHBondContact NH1-O 3.41Å |
| 546 | L | 78.9 | Confident | 81 | Confident | 111 Ų | 111 | 79.5 Ų | 79.5 | 58% | 0.581 | 41% | 0.413 | S | S | * | . | H | α-helix | trans | -81 | -28.1 | 170.5 | -58 | 170.1 | 0 | 0 | 0 | 111.2 | H543 V544 T565 | H543-L546 WeakPolarHBondContact O-CA 3.47Å; H543-L546 WeakPolarHBondContact O-CB 3.4Å; H543-L546 PolarHBondContact O-N 3.4Å; V544-L546 PolarHBondContact O-N 3.44Å; V544-L546 VanDerWaalsContact O-N 3.14Å; L546-T565 HydrophobicContact CD2-CG2 3.99Å |
| 547 | H | 77.6 | Confident | 81.2 | Confident | 79 Ų | 79 | 78.2 Ų | 78.2 | 37% | 0.366 | 40% | 0.404 | S | S | . | . | H | α-helix | trans | -82 | -41.7 | 175.4 | -61.3 | -52.7 | 0 | 0 | 0 | 111.8 | V527 C530 H543 V544 G549 | V527-H547 HydrophobicContact CG1-CB 4.23Å; V527-H547 HydrophobicContact CG2-CB 4.36Å; C530-H547 WeakPolarHBondContact CB-NE2 3.49Å; C530-H547 PolarHBondContact SG-CE1 2.81Å; C530-H547 PolarHBondContact SG-NE2 2.7Å; C530-H547 VanDerWaalsContact SG-NE2 3.41Å; H543-H547 AromaticContact CE1-CD2 3.99Å; H543-H547 AromaticContact CE1-CE1 3.83Å; H543-H547 AromaticContact CE1-NE2 3.22Å; H543-H547 PolarHBondContact CE1-NE2 2.9Å; H543-H547 AromaticContact NE2-CD2 3.85Å; H543-H547 AromaticContact NE2-NE2 3.12Å; H543-H547 PolarHBondContact NE2-NE2 3.24Å; H543-H547 VanDerWaalsContact NE2-NE2 3.12Å; V544-H547 WeakPolarHBondContact O-CA 3.29Å; V544-H547 WeakPolarHBondContact O-CB 3.46Å; V544-H547 PolarHBondContact O-N 3.38Å; H547-G549 VanDerWaalsContact C-N 3.28Å; H547-G549 PolarHBondContact O-N 2.89Å |
| 548 | T | 76.6 | Confident | 80.9 | Confident | 86 Ų | 86 | 81.7 Ų | 81.7 | 53% | 0.528 | 43% | 0.425 | S | S | . | . | S | Bend | trans | -82 | -1.1 | 177.4 | 62 | 0 | 0 | 0 | 0 | 114 | V544 R545 E550 | V544-T548 HydrophobicContact CG1-CG2 4.29Å; V544-T548 PolarHBondContact O-N 3.42Å; V544-T548 PolarHBondContact O-OG1 2.99Å; R545-T548 WeakPolarHBondContact CA-OG1 3.43Å; T548-E550 PolarHBondContact O-N 3.16Å; T548-E550 WeakPolarHBondContact OG1-CG 3.44Å |
| 549 | G | 76.5 | Confident | 80.9 | Confident | 50 Ų | 50 | 86.3 Ų | 86.3 | 52% | 0.515 | 44% | 0.437 | S | S | . | . | | | trans | 65.7 | -0.1 | -177.4 | 0 | 0 | 0 | 0 | 0 | 115.7 | R545 H547 R551 | R545-G549 CarbonylContact O-C 3.29Å; R545-G549 PolarHBondContact O-N 3.02Å; H547-G549 VanDerWaalsContact C-N 3.28Å; H547-G549 PolarHBondContact O-N 2.89Å; G549-R551 WeakPolarHBondContact O-CG 3.44Å; G549-R551 PolarHBondContact O-N 3.16Å; G549-R551 VanDerWaalsContact O-N 3.1Å |
| 550 | E | 75.8 | Confident | 81.1 | Confident | 109 Ų | 109 | 84.2 Ų | 84.2 | 51% | 0.509 | 43% | 0.427 | S | S | . | . | | | trans | -61.8 | 110 | -173.8 | -78.8 | -167.5 | 152.2 | 0 | 0 | 113.1 | R545 T548 P552 T565 | R545-E550 HydrophobicContact CB-CB 4.33Å; R545-E550 HydrophobicContact CG-CB 4.04Å; R545-E550 IonicContact NE-OE2 3.28Å; R545-E550 PolarHBondContact O-N 2.79Å; T548-E550 PolarHBondContact O-N 3.16Å; T548-E550 WeakPolarHBondContact OG1-CG 3.44Å; E550-P552 WeakPolarHBondContact O-CD 3.45Å; E550-T565 WeakPolarHBondContact O-CG2 3.38Å |
| 551 | R | 79.3 | Confident | 80.8 | Confident | 131 Ų | 131 | 85 Ų | 85 | 49% | 0.494 | 44% | 0.443 | S | S | . | . | | | trans | -113.4 | 76.5 | 176.6 | -65.7 | 162.1 | 80.8 | 159.5 | 3.4 | 110.4 | G549 R563 F564 T565 | G549-R551 WeakPolarHBondContact O-CG 3.44Å; G549-R551 PolarHBondContact O-N 3.16Å; G549-R551 VanDerWaalsContact O-N 3.1Å; R551-R563 HydrophobicContact CB-CB 3.57Å; R551-R563 VanDerWaalsContact CZ-O 3.25Å; R551-R563 PolarHBondContact NE-O 3.07Å; R551-R563 PolarHBondContact NH2-O 2.76Å; R551-R563 PolarHBondContact O-NE 3.32Å; R551-R563 PolarHBondContact O-NH2 3.3Å; R551-F564 CarbonylContact C-O 3.58Å; R551-F564 WeakPolarHBondContact CA-O 3.44Å; R551-T565 HydrophobicContact CG-CG2 3.8Å |
| 552 | P | 79.4 | Confident | 80.9 | Confident | 63 Ų | 63 | 81.9 Ų | 81.9 | 41% | 0.409 | 44% | 0.435 | S | S | . | . | | | trans | -74.5 | -21 | -176 | 29.8 | -36.1 | 0 | 0 | 0 | 113.7 | E550 V554 | E550-P552 WeakPolarHBondContact O-CD 3.45Å; P552-V554 PolarHBondContact O-N 3.31Å |
| 553 | F | 81.8 | Confident | 81.1 | Confident | 64 Ų | 64 | 87.2 Ų | 87.2 | 28% | 0.281 | 45% | 0.451 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.2 | 97.5 | -177.8 | -60.2 | -74.2 | 0 | 0 | 0 | 110.4 | R563 F564 T565 L570 | F553-R563 CarbonylContact O-C 3.5Å; F553-R563 WeakPolarHBondContact O-CA 3.36Å; F553-F564 HydrophobicContact CB-CB 4.25Å; F553-F564 WeakPolarHBondContact CB-O 3.41Å; F553-F564 PolarHBondContact N-O 2.86Å; F553-F564 VanDerWaalsContact N-O 3.07Å; F553-F564 PolarHBondContact O-N 3.36Å; F553-T565 WeakPolarHBondContact CE2-O 3.23Å; F553-L570 HydrophobicContact CB-CB 4.04Å; F553-L570 HydrophobicContact CB-CD2 3.8Å |
| 554 | V | 84.3 | Confident | 81.2 | Confident | 71 Ų | 71 | 88 Ų | 88 | 43% | 0.43 | 45% | 0.454 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.6 | 143.9 | 179.5 | -170.5 | 0 | 0 | 0 | 0 | 110.6 | P552 N556 R563 L570 | P552-V554 PolarHBondContact O-N 3.31Å; V554-N556 PolarHBondContact O-N 2.99Å; V554-R563 HydrophobicContact CG1-CG 4.31Å; V554-R563 HydrophobicContact CG2-CG 4.13Å; V554-L570 WeakPolarHBondContact O-CD1 3.41Å; V554-L570 WeakPolarHBondContact O-CD2 3.34Å |
| 555 | C | 89.4 | Confident | 81.2 | Confident | 9 Ų | 9 | 86.9 Ų | 86.9 | 6% | 0.061 | 45% | 0.448 | C | S | . | . | | | trans | -69.5 | 118.6 | 168.8 | -167.8 | 0 | 0 | 0 | 0 | 110.4 | W557 C560 K562 L570 H573 H577 | C555-W557 PolarHBondContact O-N 2.94Å; C555-C560 HydrophobicContact CB-CB 4.48Å; C555-K562 VanDerWaalsContact CB-O 3.29Å; C555-K562 WeakPolarHBondContact CB-O 3.45Å; C555-K562 PolarHBondContact N-O 2.92Å; C555-L570 HydrophobicContact CB-CD1 4.19Å; C555-H573 PolarHBondContact SG-NE2 3.26Å; C555-H573 VanDerWaalsContact SG-NE2 3.42Å; C555-H577 PolarHBondContact SG-NE2 3.34Å |
| 556 | N | 83.1 | Confident | 81.3 | Confident | 167 Ų | 167 | 87.9 Ų | 87.9 | 89% | 0.893 | 45% | 0.452 | S | S | * | . | S | Bend | trans | -70.8 | 17.4 | 176.1 | -158.9 | 83.1 | 0 | 0 | 0 | 113.6 | V554 | V554-N556 PolarHBondContact O-N 2.99Š|
| 557 | W | 82.6 | Confident | 81.5 | Confident | 104 Ų | 104 | 85.9 Ų | 85.9 | 39% | 0.394 | 45% | 0.447 | S | S | . | . | | | trans | -105 | 114.5 | 178.7 | -164.6 | -69.5 | 0 | 0 | 0 | 108.8 | C555 F559 C560 H577 | C555-W557 PolarHBondContact O-N 2.94Å; W557-F559 AromaticContact CD1-CD1 4Å; W557-F559 AromaticContact CD1-CD2 3.57Å; W557-F559 AromaticContact CD1-CE2 3.61Å; W557-F559 AromaticContact CD1-CG 3.78Å; W557-F559 AromaticContact CD1-CZ 3.88Å; W557-F559 AromaticContact CE2-CE1 3.95Å; W557-F559 AromaticContact CE2-CZ 3.71Å; W557-F559 HydrophobicContact CZ2-CE1 4.21Å; W557-F559 AromaticContact CZ2-CZ 3.99Å; W557-F559 HydrophobicContact CZ2-CZ 3.99Å; W557-F559 AromaticContact NE1-CD1 3.41Å; W557-F559 AromaticContact NE1-CD2 3.52Å; W557-F559 AromaticContact NE1-CE1 3.08Å; W557-F559 AromaticContact NE1-CE2 3.18Å; W557-F559 AromaticContact NE1-CG 3.64Å; W557-F559 AromaticContact NE1-CZ 2.97Å; W557-F559 PolarHBondContact O-N 2.76Å; W557-C560 HydrophobicContact CB-CB 4.1Å; W557-C560 VanDerWaalsContact O-CB 3.31Å; W557-C560 WeakPolarHBondContact O-CB 3.25Å; W557-C560 PolarHBondContact O-N 2.98Å; W557-H577 HydrophobicContact CD2-CB 3.78Å; W557-H577 AromaticContact CD2-CD2 3.89Å; W557-H577 AromaticContact CD2-CG 3.77Å; W557-H577 HydrophobicContact CE3-CB 3.43Å; W557-H577 VanDerWaalsContact CE3-CB 3.43Å; W557-H577 AromaticContact CE3-CD2 3.95Å; W557-H577 AromaticContact CE3-CG 3.85Å; W557-H577 HydrophobicContact CG-CB 4.5Å; W557-H577 AromaticContact CG-CD2 3.75Å; W557-H577 AromaticContact CG-CG 3.98Å; W557-H577 AromaticContact CG-NE2 4Å; W557-H577 HydrophobicContact CH2-CB 4.02Å; W557-H577 HydrophobicContact CZ2-CB 4.33Å; W557-H577 HydrophobicContact CZ3-CB 3.57Å |
| 558 | V | 76.8 | Confident | 81.8 | Confident | 150 Ų | 150 | 84.9 Ų | 84.9 | 91% | 0.909 | 44% | 0.444 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -52.4 | -55 | -164.6 | -177.3 | 0 | 0 | 0 | 0 | 112.3 | C560 | V558-C560 PolarHBondContact O-N 3.47Š|
| 559 | F | 80.2 | Confident | 82.2 | Confident | 171 Ų | 171 | 83.7 Ų | 83.7 | 75% | 0.75 | 43% | 0.433 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -71.8 | 4.5 | -179.3 | 63.6 | -125.1 | 0 | 0 | 0 | 115.2 | W557 | W557-F559 AromaticContact CD1-CD1 4Å; W557-F559 AromaticContact CD1-CD2 3.57Å; W557-F559 AromaticContact CD1-CE2 3.61Å; W557-F559 AromaticContact CD1-CG 3.78Å; W557-F559 AromaticContact CD1-CZ 3.88Å; W557-F559 AromaticContact CE2-CE1 3.95Å; W557-F559 AromaticContact CE2-CZ 3.71Å; W557-F559 HydrophobicContact CZ2-CE1 4.21Å; W557-F559 AromaticContact CZ2-CZ 3.99Å; W557-F559 HydrophobicContact CZ2-CZ 3.99Å; W557-F559 AromaticContact NE1-CD1 3.41Å; W557-F559 AromaticContact NE1-CD2 3.52Å; W557-F559 AromaticContact NE1-CE1 3.08Å; W557-F559 AromaticContact NE1-CE2 3.18Å; W557-F559 AromaticContact NE1-CG 3.64Å; W557-F559 AromaticContact NE1-CZ 2.97Å; W557-F559 PolarHBondContact O-N 2.76Å |
| 560 | C | 86.3 | Confident | 82.8 | Confident | 23 Ų | 23 | 83.1 Ų | 83.1 | 16% | 0.155 | 42% | 0.417 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -103.6 | -44.2 | -175 | -162.1 | 0 | 0 | 0 | 0 | 114.7 | C555 W557 V558 K562 H573 H577 | C555-C560 HydrophobicContact CB-CB 4.48Å; W557-C560 HydrophobicContact CB-CB 4.1Å; W557-C560 VanDerWaalsContact O-CB 3.31Å; W557-C560 WeakPolarHBondContact O-CB 3.25Å; W557-C560 PolarHBondContact O-N 2.98Å; V558-C560 PolarHBondContact O-N 3.47Å; C560-K562 PolarHBondContact O-N 3.22Å; C560-H573 VanDerWaalsContact SG-CE1 3.57Å; C560-H573 PolarHBondContact SG-NE2 3.18Å; C560-H577 PolarHBondContact SG-CE1 3.03Å; C560-H577 PolarHBondContact SG-NE2 3.28Å |
| 561 | G | 79.6 | Confident | 83.3 | Confident | 50 Ų | 50 | 83.6 Ų | 83.6 | 52% | 0.515 | 42% | 0.42 | S | S | . | . | | | trans | 60.2 | -6.9 | 179.6 | 0 | 0 | 0 | 0 | 0 | 117.5 | R563 | G561-R563 WeakPolarHBondContact O-CG 3.48Å; G561-R563 PolarHBondContact O-N 3.46Å |
| 562 | K | 83.9 | Confident | 83.5 | Confident | 122 Ų | 122 | 80.5 Ų | 80.5 | 53% | 0.53 | 41% | 0.408 | S | S | . | . | | | trans | -64.7 | 127 | -170.4 | -72.8 | 174.8 | -168.3 | 174.5 | 0 | 112 | C555 C560 F564 | C555-K562 VanDerWaalsContact CB-O 3.29Å; C555-K562 WeakPolarHBondContact CB-O 3.45Å; C555-K562 PolarHBondContact N-O 2.92Å; C560-K562 PolarHBondContact O-N 3.22Å; K562-F564 HydrophobicContact CB-CE2 3.78Å; K562-F564 HydrophobicContact CB-CZ 3.79Å; K562-F564 VanDerWaalsContact O-CE2 3.29Å; K562-F564 WeakPolarHBondContact O-CE2 3.29Å |
| 563 | R | 86.1 | Confident | 83.9 | Confident | 130 Ų | 130 | 78.4 Ų | 78.4 | 49% | 0.491 | 39% | 0.393 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.4 | 148.9 | 179.7 | -49.4 | -178.7 | 61.2 | 158.4 | 0.5 | 111.4 | R551 F553 V554 G561 | R551-R563 HydrophobicContact CB-CB 3.57Å; R551-R563 VanDerWaalsContact CZ-O 3.25Å; R551-R563 PolarHBondContact NE-O 3.07Å; R551-R563 PolarHBondContact NH2-O 2.76Å; R551-R563 PolarHBondContact O-NE 3.32Å; R551-R563 PolarHBondContact O-NH2 3.3Å; F553-R563 CarbonylContact O-C 3.5Å; F553-R563 WeakPolarHBondContact O-CA 3.36Å; V554-R563 HydrophobicContact CG1-CG 4.31Å; V554-R563 HydrophobicContact CG2-CG 4.13Å; G561-R563 WeakPolarHBondContact O-CG 3.48Å; G561-R563 PolarHBondContact O-N 3.46Å |
| 564 | F | 84.5 | Confident | 84.1 | Confident | 31 Ų | 31 | 77.2 Ų | 77.2 | 14% | 0.136 | 40% | 0.395 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.5 | 151.2 | -176 | -57 | -86.5 | 0 | 0 | 0 | 112 | R551 F553 K562 E569 L570 H573 | R551-F564 CarbonylContact C-O 3.58Å; R551-F564 WeakPolarHBondContact CA-O 3.44Å; F553-F564 HydrophobicContact CB-CB 4.25Å; F553-F564 WeakPolarHBondContact CB-O 3.41Å; F553-F564 PolarHBondContact N-O 2.86Å; F553-F564 VanDerWaalsContact N-O 3.07Å; F553-F564 PolarHBondContact O-N 3.36Å; K562-F564 HydrophobicContact CB-CE2 3.78Å; K562-F564 HydrophobicContact CB-CZ 3.79Å; K562-F564 VanDerWaalsContact O-CE2 3.29Å; K562-F564 WeakPolarHBondContact O-CE2 3.29Å; F564-E569 HydrophobicContact CB-CB 4.29Å; F564-E569 HydrophobicContact CD1-CB 4Å; F564-E569 HydrophobicContact CD1-CG 3.48Å; F564-E569 VanDerWaalsContact CD1-CG 3.48Å; F564-E569 HydrophobicContact CE1-CG 4.01Å; F564-E569 HydrophobicContact CG-CB 4.36Å; F564-E569 HydrophobicContact CG-CG 4.31Å; F564-L570 HydrophobicContact CB-CB 4.44Å; F564-L570 HydrophobicContact CD2-CB 4Å; F564-L570 HydrophobicContact CD2-CD1 4.14Å; F564-L570 HydrophobicContact CE2-CD1 4.34Å; F564-L570 HydrophobicContact CG-CB 4.4Å; F564-H573 HydrophobicContact CE1-CB 4.21Å; F564-H573 HydrophobicContact CE2-CB 4.06Å; F564-H573 AromaticContact CE2-CD2 3.32Å; F564-H573 WeakPolarHBondContact CE2-CD2 3.45Å; F564-H573 AromaticContact CE2-CG 3.89Å; F564-H573 HydrophobicContact CZ-CB 3.63Å; F564-H573 AromaticContact CZ-CD2 3.33Å; F564-H573 WeakPolarHBondContact CZ-CD2 3.48Å; F564-H573 AromaticContact CZ-CG 3.48Å; F564-H573 VanDerWaalsContact CZ-CG 3.48Å |
| 565 | T | 82 | Confident | 84.2 | Confident | 26 Ų | 26 | 77 Ų | 77 | 16% | 0.16 | 39% | 0.386 | C | S | . | . | S | Bend | trans | -80.8 | -17 | 176.6 | 59.1 | 0 | 0 | 0 | 0 | 113.1 | R545 L546 E550 R551 F553 | R545-T565 HydrophobicContact CB-CG2 4.26Å; R545-T565 PolarHBondContact NH1-O 3.41Å; L546-T565 HydrophobicContact CD2-CG2 3.99Å; E550-T565 WeakPolarHBondContact O-CG2 3.38Å; R551-T565 HydrophobicContact CG-CG2 3.8Å; F553-T565 WeakPolarHBondContact CE2-O 3.23Å |
| 566 | R | 81.8 | Confident | 83.9 | Confident | 99 Ų | 99 | 79.8 Ų | 79.8 | 37% | 0.374 | 40% | 0.403 | S | S | . | . | S | Bend | trans | -134.2 | 143.8 | -175.1 | -70.5 | 170.5 | 53.9 | 162.3 | -9.4 | 112.6 | A542 D568 E569 L570 | A542-R566 HydrophobicContact CB-CG 3.88Å; R566-D568 WeakPolarHBondContact CB-OD1 3.28Å; R566-D568 IonicContact CZ-OD1 2.79Å; R566-D568 VanDerWaalsContact CZ-OD1 3.28Å; R566-D568 IonicContact CZ-OD2 3.27Å; R566-D568 IonicContact NE-OD1 2.71Å; R566-D568 PolarHBondContact NE-OD1 3.16Å; R566-D568 IonicContact NE-OD2 3.15Å; R566-D568 IonicContact NH2-OD1 3.72Å; R566-D568 PolarHBondContact NH2-OD1 3.11Å; R566-D568 IonicContact NH2-OD2 2.89Å; R566-D568 PolarHBondContact NH2-OD2 3.25Å; R566-E569 HydrophobicContact CB-CB 4.38Å; R566-E569 PolarHBondContact O-N 2.93Å; R566-L570 PolarHBondContact O-N 3.41Å |
| 567 | S | 83.9 | Confident | 83.9 | Confident | 69 Ų | 69 | 74 Ų | 74 | 48% | 0.483 | 37% | 0.37 | S | S | . | . | H | α-helix | trans | -68.5 | -35.6 | 178.4 | 48.6 | 0 | 0 | 0 | 0 | 113.6 | E569 L570 Q571 | S567-E569 VanDerWaalsContact C-N 3.25Å; S567-E569 PolarHBondContact O-N 3.2Å; S567-L570 PolarHBondContact O-N 3.44Å; S567-Q571 WeakPolarHBondContact O-CB 3.45Å; S567-Q571 PolarHBondContact O-N 2.9Å |
| 568 | D | 83.9 | Confident | 83.8 | Confident | 57 Ų | 57 | 74 Ų | 74 | 31% | 0.305 | 38% | 0.382 | S | S | . | . | H | α-helix | trans | -70.7 | -22 | 177.8 | 71.8 | -73.5 | 0 | 0 | 0 | 113 | R566 R572 | R566-D568 WeakPolarHBondContact CB-OD1 3.28Å; R566-D568 IonicContact CZ-OD1 2.79Å; R566-D568 VanDerWaalsContact CZ-OD1 3.28Å; R566-D568 IonicContact CZ-OD2 3.27Å; R566-D568 IonicContact NE-OD1 2.71Å; R566-D568 PolarHBondContact NE-OD1 3.16Å; R566-D568 IonicContact NE-OD2 3.15Å; R566-D568 IonicContact NH2-OD1 3.72Å; R566-D568 PolarHBondContact NH2-OD1 3.11Å; R566-D568 IonicContact NH2-OD2 2.89Å; R566-D568 PolarHBondContact NH2-OD2 3.25Å; D568-R572 VanDerWaalsContact O-CB 3.28Å; D568-R572 WeakPolarHBondContact O-CB 3.12Å; D568-R572 PolarHBondContact O-N 2.99Å; D568-R572 IonicContact OD2-NH2 3.02Å; D568-R572 PolarHBondContact OD2-NH2 3.13Å |
| 569 | E | 85.2 | Confident | 84 | Confident | 62 Ų | 62 | 68.8 Ų | 68.8 | 29% | 0.29 | 36% | 0.359 | S | S | . | . | H | α-helix | trans | -76.7 | -45.9 | 170.8 | -160.2 | 62.6 | -125.6 | 0 | 0 | 110.5 | F564 R566 S567 Q571 R572 H573 | F564-E569 HydrophobicContact CB-CB 4.29Å; F564-E569 HydrophobicContact CD1-CB 4Å; F564-E569 HydrophobicContact CD1-CG 3.48Å; F564-E569 VanDerWaalsContact CD1-CG 3.48Å; F564-E569 HydrophobicContact CE1-CG 4.01Å; F564-E569 HydrophobicContact CG-CB 4.36Å; F564-E569 HydrophobicContact CG-CG 4.31Å; R566-E569 HydrophobicContact CB-CB 4.38Å; R566-E569 PolarHBondContact O-N 2.93Å; S567-E569 VanDerWaalsContact C-N 3.25Å; S567-E569 PolarHBondContact O-N 3.2Å; E569-Q571 PolarHBondContact O-N 3.43Å; E569-R572 PolarHBondContact O-N 3.45Å; E569-R572 IonicContact OE1-CZ 2.7Å; E569-R572 IonicContact OE1-NH1 2.99Å; E569-R572 PolarHBondContact OE1-NH1 3.33Å; E569-R572 IonicContact OE1-NH2 3.91Å; E569-R572 IonicContact OE2-CZ 3.47Å; E569-R572 IonicContact OE2-NH1 3.83Å; E569-R572 PolarHBondContact OE2-NH1 3.46Å; E569-R572 IonicContact OE2-NH2 3.38Å; E569-R572 PolarHBondContact OE2-NH2 3.09Å; E569-H573 WeakPolarHBondContact O-CB 3.29Å; E569-H573 PolarHBondContact O-N 3.45Å |
| 570 | L | 89 | Confident | 83.9 | Confident | 37 Ų | 37 | 62.4 Ų | 62.4 | 19% | 0.194 | 33% | 0.333 | C | S | . | . | H | α-helix | trans | -56.6 | -47.8 | 172.2 | 169.4 | 60.2 | 0 | 0 | 0 | 111.7 | F553 V554 C555 F564 R566 S567 R572 H573 A574 | F553-L570 HydrophobicContact CB-CB 4.04Å; F553-L570 HydrophobicContact CB-CD2 3.8Å; V554-L570 WeakPolarHBondContact O-CD1 3.41Å; V554-L570 WeakPolarHBondContact O-CD2 3.34Å; C555-L570 HydrophobicContact CB-CD1 4.19Å; F564-L570 HydrophobicContact CB-CB 4.44Å; F564-L570 HydrophobicContact CD2-CB 4Å; F564-L570 HydrophobicContact CD2-CD1 4.14Å; F564-L570 HydrophobicContact CE2-CD1 4.34Å; F564-L570 HydrophobicContact CG-CB 4.4Å; R566-L570 PolarHBondContact O-N 3.41Å; S567-L570 PolarHBondContact O-N 3.44Å; L570-R572 VanDerWaalsContact C-N 3.27Å; L570-R572 PolarHBondContact O-N 2.6Å; L570-H573 PolarHBondContact O-N 2.77Å; L570-A574 WeakPolarHBondContact O-CB 3.29Å; L570-A574 PolarHBondContact O-N 2.82Å |
| 571 | Q | 85.6 | Confident | 83.7 | Confident | 120 Ų | 120 | 66.7 Ų | 66.7 | 56% | 0.561 | 35% | 0.348 | S | S | * | . | H | α-helix | trans | -67 | -28.1 | -179.6 | -161.2 | -158.4 | 5.4 | 0 | 0 | 112.6 | S567 E569 R575 | S567-Q571 WeakPolarHBondContact O-CB 3.45Å; S567-Q571 PolarHBondContact O-N 2.9Å; E569-Q571 PolarHBondContact O-N 3.43Å; Q571-R575 WeakPolarHBondContact O-CG 3.46Å; Q571-R575 PolarHBondContact O-NE 3.17Å |
| 572 | R | 84.6 | Confident | 83.8 | Confident | 65 Ų | 65 | 72.3 Ų | 72.3 | 25% | 0.245 | 35% | 0.354 | C | S | . | . | H | α-helix | trans | -76.8 | -37.6 | 173.7 | -161.8 | -170.7 | -40.6 | 134.8 | 12.4 | 111.3 | D568 E569 L570 R594 | D568-R572 VanDerWaalsContact O-CB 3.28Å; D568-R572 WeakPolarHBondContact O-CB 3.12Å; D568-R572 PolarHBondContact O-N 2.99Å; D568-R572 IonicContact OD2-NH2 3.02Å; D568-R572 PolarHBondContact OD2-NH2 3.13Å; E569-R572 PolarHBondContact O-N 3.45Å; E569-R572 IonicContact OE1-CZ 2.7Å; E569-R572 IonicContact OE1-NH1 2.99Å; E569-R572 PolarHBondContact OE1-NH1 3.33Å; E569-R572 IonicContact OE1-NH2 3.91Å; E569-R572 IonicContact OE2-CZ 3.47Å; E569-R572 IonicContact OE2-NH1 3.83Å; E569-R572 PolarHBondContact OE2-NH1 3.46Å; E569-R572 IonicContact OE2-NH2 3.38Å; E569-R572 PolarHBondContact OE2-NH2 3.09Å; L570-R572 VanDerWaalsContact C-N 3.27Å; L570-R572 PolarHBondContact O-N 2.6Å; R572-R594 HydrophobicContact CG-CG 4.15Å |
| 573 | H | 88.1 | Confident | 83.9 | Confident | 19 Ų | 19 | 69.4 Ų | 69.4 | 9% | 0.088 | 34% | 0.342 | C | S | . | . | H | α-helix | trans | -68.3 | -41.2 | 174.1 | 170.4 | 43.3 | 0 | 0 | 0 | 112.4 | C555 C560 F564 E569 L570 R575 T576 H577 | C555-H573 PolarHBondContact SG-NE2 3.26Å; C555-H573 VanDerWaalsContact SG-NE2 3.42Å; C560-H573 VanDerWaalsContact SG-CE1 3.57Å; C560-H573 PolarHBondContact SG-NE2 3.18Å; F564-H573 HydrophobicContact CE1-CB 4.21Å; F564-H573 HydrophobicContact CE2-CB 4.06Å; F564-H573 AromaticContact CE2-CD2 3.32Å; F564-H573 WeakPolarHBondContact CE2-CD2 3.45Å; F564-H573 AromaticContact CE2-CG 3.89Å; F564-H573 HydrophobicContact CZ-CB 3.63Å; F564-H573 AromaticContact CZ-CD2 3.33Å; F564-H573 WeakPolarHBondContact CZ-CD2 3.48Å; F564-H573 AromaticContact CZ-CG 3.48Å; F564-H573 VanDerWaalsContact CZ-CG 3.48Å; E569-H573 WeakPolarHBondContact O-CB 3.29Å; E569-H573 PolarHBondContact O-N 3.45Å; L570-H573 PolarHBondContact O-N 2.77Å; H573-R575 PolarHBondContact O-N 3.2Å; H573-T576 PolarHBondContact CE1-OG1 3.42Å; H573-T576 PolarHBondContact ND1-OG1 3.21Å; H573-T576 VanDerWaalsContact ND1-OG1 3.16Å; H573-T576 WeakPolarHBondContact O-CB 3.43Å; H573-T576 WeakPolarHBondContact O-CG2 3.44Å; H573-T576 PolarHBondContact O-N 2.82Å; H573-T576 PolarHBondContact O-OG1 3.29Å; H573-H577 AromaticContact CE1-CE1 3.52Å; H573-H577 AromaticContact CE1-NE2 3.28Å; H573-H577 PolarHBondContact CE1-NE2 2.81Å; H573-H577 VanDerWaalsContact CE1-NE2 3.28Å; H573-H577 AromaticContact NE2-CE1 3.86Å; H573-H577 AromaticContact NE2-NE2 3.24Å; H573-H577 PolarHBondContact NE2-NE2 3.26Å |
| 574 | A | 85.5 | Confident | 84.1 | Confident | 40 Ų | 40 | 67.8 Ų | 67.8 | 33% | 0.331 | 34% | 0.34 | S | S | . | . | H | α-helix | trans | -54.2 | -33.4 | 179.7 | 0 | 0 | 0 | 0 | 0 | 112.8 | L570 T576 H577 T578 | L570-A574 WeakPolarHBondContact O-CB 3.29Å; L570-A574 PolarHBondContact O-N 2.82Å; A574-T576 PolarHBondContact O-N 3.41Å; A574-H577 PolarHBondContact O-N 3.08Å; A574-T578 PolarHBondContact O-OG1 3.42Å |
| 575 | R | 85.1 | Confident | 84.5 | Confident | 67 Ų | 67 | 66.3 Ų | 66.3 | 25% | 0.253 | 33% | 0.333 | S | S | . | . | H | α-helix | trans | -63.6 | -22.5 | 175.2 | -58.6 | 172.6 | -162.4 | -150.4 | -1.3 | 113.6 | Q571 H573 H577 T578 G579 D580 M593 | Q571-R575 WeakPolarHBondContact O-CG 3.46Å; Q571-R575 PolarHBondContact O-NE 3.17Å; H573-R575 PolarHBondContact O-N 3.2Å; R575-H577 PolarHBondContact O-N 2.95Å; R575-T578 PolarHBondContact O-N 3.39Å; R575-G579 PolarHBondContact O-N 2.88Å; R575-D580 PolarHBondContact O-N 3.37Å; R575-M593 HydrophobicContact CB-CG 4Å; R575-M593 HydrophobicContact CB-SD 3.9Å; R575-M593 VanDerWaalsContact O-SD 3.34Å |
| 576 | T | 83.8 | Confident | 84.7 | Confident | 66 Ų | 66 | 69.8 Ų | 69.8 | 41% | 0.405 | 36% | 0.359 | S | S | . | . | H | α-helix | trans | -65.8 | -30.6 | 176.7 | 71.7 | 0 | 0 | 0 | 0 | 111.6 | H573 A574 M593 | H573-T576 PolarHBondContact CE1-OG1 3.42Å; H573-T576 PolarHBondContact ND1-OG1 3.21Å; H573-T576 VanDerWaalsContact ND1-OG1 3.16Å; H573-T576 WeakPolarHBondContact O-CB 3.43Å; H573-T576 WeakPolarHBondContact O-CG2 3.44Å; H573-T576 PolarHBondContact O-N 2.82Å; H573-T576 PolarHBondContact O-OG1 3.29Å; A574-T576 PolarHBondContact O-N 3.41Å; T576-M593 VanDerWaalsContact CA-SD 3.53Å; T576-M593 HydrophobicContact CG2-CE 3.69Å; T576-M593 HydrophobicContact CG2-SD 3.93Å; T576-M593 PolarHBondContact N-SD 3.02Å |
| 577 | H | 82.6 | Confident | 85 | Confident | 46 Ų | 46 | 69.5 Ų | 69.5 | 21% | 0.213 | 36% | 0.361 | C | S | . | . | H | α-helix | trans | -79.4 | -36.5 | 177.1 | -55 | -46.5 | 0 | 0 | 0 | 111.9 | C555 W557 C560 H573 A574 R575 G579 | C555-H577 PolarHBondContact SG-NE2 3.34Å; W557-H577 HydrophobicContact CD2-CB 3.78Å; W557-H577 AromaticContact CD2-CD2 3.89Å; W557-H577 AromaticContact CD2-CG 3.77Å; W557-H577 HydrophobicContact CE3-CB 3.43Å; W557-H577 VanDerWaalsContact CE3-CB 3.43Å; W557-H577 AromaticContact CE3-CD2 3.95Å; W557-H577 AromaticContact CE3-CG 3.85Å; W557-H577 HydrophobicContact CG-CB 4.5Å; W557-H577 AromaticContact CG-CD2 3.75Å; W557-H577 AromaticContact CG-CG 3.98Å; W557-H577 AromaticContact CG-NE2 4Å; W557-H577 HydrophobicContact CH2-CB 4.02Å; W557-H577 HydrophobicContact CZ2-CB 4.33Å; W557-H577 HydrophobicContact CZ3-CB 3.57Å; C560-H577 PolarHBondContact SG-CE1 3.03Å; C560-H577 PolarHBondContact SG-NE2 3.28Å; H573-H577 AromaticContact CE1-CE1 3.52Å; H573-H577 AromaticContact CE1-NE2 3.28Å; H573-H577 PolarHBondContact CE1-NE2 2.81Å; H573-H577 VanDerWaalsContact CE1-NE2 3.28Å; H573-H577 AromaticContact NE2-CE1 3.86Å; H573-H577 AromaticContact NE2-NE2 3.24Å; H573-H577 PolarHBondContact NE2-NE2 3.26Å; A574-H577 PolarHBondContact O-N 3.08Å; R575-H577 PolarHBondContact O-N 2.95Å; H577-G579 PolarHBondContact O-N 2.91Å |
| 578 | T | 81.9 | Confident | 85.3 | Confident | 104 Ų | 104 | 68.5 Ų | 68.5 | 64% | 0.638 | 35% | 0.354 | S | S | * | . | H | α-helix | trans | -76.4 | -7.7 | 175.2 | -31.3 | 0 | 0 | 0 | 0 | 113.4 | A574 R575 D580 | A574-T578 PolarHBondContact O-OG1 3.42Å; R575-T578 PolarHBondContact O-N 3.39Å; T578-D580 HydrophobicContact CG2-CB 4.44Å; T578-D580 PolarHBondContact O-N 3.26Å; T578-D580 VanDerWaalsContact O-N 3.12Å |
| 579 | G | 80.6 | Confident | 85.5 | Confident | 41 Ų | 41 | 73.4 Ų | 73.4 | 42% | 0.423 | 37% | 0.373 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 63.4 | 13.9 | -176.8 | 0 | 0 | 0 | 0 | 0 | 115.2 | R575 H577 K581 | R575-G579 PolarHBondContact O-N 2.88Å; H577-G579 PolarHBondContact O-N 2.91Å; G579-K581 WeakPolarHBondContact O-CG 3.35Å; G579-K581 PolarHBondContact O-N 2.82Å; G579-K581 VanDerWaalsContact O-N 3.07Å |
| 580 | D | 78.9 | Confident | 85.7 | Confident | 37 Ų | 37 | 76.6 Ų | 76.6 | 20% | 0.198 | 39% | 0.386 | C | S | . | . | | | trans | -75.8 | 97.5 | -159.3 | -178.2 | 3.2 | 0 | 0 | 0 | 113.4 | R575 T578 R582 | R575-D580 PolarHBondContact O-N 3.37Å; T578-D580 HydrophobicContact CG2-CB 4.44Å; T578-D580 PolarHBondContact O-N 3.26Å; T578-D580 VanDerWaalsContact O-N 3.12Å; D580-R582 PolarHBondContact O-N 3.37Å; D580-R582 WeakPolarHBondContact OD1-CG 3.28Å; D580-R582 IonicContact OD1-NE 2.81Å; D580-R582 PolarHBondContact OD1-NE 3.46Å; D580-R582 IonicContact OD2-CZ 2.92Å; D580-R582 IonicContact OD2-NE 3.11Å; D580-R582 PolarHBondContact OD2-NE 3.09Å; D580-R582 IonicContact OD2-NH2 3.79Å; D580-R582 PolarHBondContact OD2-NH2 3.06Å |
| 581 | K | 81.3 | Confident | 85.7 | Confident | 112 Ų | 112 | 81.6 Ų | 81.6 | 49% | 0.487 | 40% | 0.402 | S | S | . | . | | | trans | -94.7 | 77.9 | -178.6 | -62.1 | 156.1 | -166.7 | -85.8 | 0 | 111.5 | G579 R591 F592 | G579-K581 WeakPolarHBondContact O-CG 3.35Å; G579-K581 PolarHBondContact O-N 2.82Å; G579-K581 VanDerWaalsContact O-N 3.07Å; K581-R591 HydrophobicContact CB-CB 3.8Å; K581-R591 PolarHBondContact O-NE 3.28Å; K581-R591 PolarHBondContact O-NH2 3.44Å; K581-F592 CarbonylContact C-O 3.56Å; K581-F592 VanDerWaalsContact C-O 3.29Å; K581-F592 VanDerWaalsContact CA-O 3.31Å; K581-F592 WeakPolarHBondContact CA-O 3.45Å |
| 582 | R | 82.3 | Confident | 85.8 | Confident | 168 Ų | 168 | 78 Ų | 78 | 63% | 0.634 | 39% | 0.385 | S | S | * | . | | | trans | -74.2 | -19.1 | -179.2 | -57.7 | -165.9 | -173.9 | -151 | -6.7 | 116.1 | D580 F592 | D580-R582 PolarHBondContact O-N 3.37Å; D580-R582 WeakPolarHBondContact OD1-CG 3.28Å; D580-R582 IonicContact OD1-NE 2.81Å; D580-R582 PolarHBondContact OD1-NE 3.46Å; D580-R582 IonicContact OD2-CZ 2.92Å; D580-R582 IonicContact OD2-NE 3.11Å; D580-R582 PolarHBondContact OD2-NE 3.09Å; D580-R582 IonicContact OD2-NH2 3.79Å; D580-R582 PolarHBondContact OD2-NH2 3.06Å; R582-F592 PolarHBondContact N-O 2.94Å |
| 583 | F | 85.8 | Confident | 85.9 | Confident | 62 Ų | 62 | 77.6 Ų | 77.6 | 27% | 0.272 | 39% | 0.386 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.1 | 98 | -167.8 | -60.6 | -79.7 | 0 | 0 | 0 | 111.1 | F592 R594 L598 | F583-F592 HydrophobicContact CB-CB 4.27Å; F583-F592 WeakPolarHBondContact CB-O 3.37Å; F583-F592 PolarHBondContact N-O 3.18Å; F583-F592 PolarHBondContact O-N 3.29Å; F583-R594 VanDerWaalsContact CD2-C 3.43Å; F583-L598 HydrophobicContact CB-CB 4.08Å; F583-L598 HydrophobicContact CB-CD2 3.84Å |
| 584 | E | 90.4 | Very high | 85.8 | Confident | 95 Ų | 95 | 79.9 Ų | 79.9 | 44% | 0.444 | 39% | 0.394 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.3 | 144.6 | 179.3 | -167.9 | 166.2 | 141.1 | 0 | 0 | 112.9 | K589 R591 L598 | E584-K589 HydrophobicContact CG-CB 4.49Å; E584-K589 WeakPolarHBondContact OE1-CB 3.24Å; E584-K589 WeakPolarHBondContact OE1-CG 3.42Å; E584-R591 HydrophobicContact CB-CG 4.03Å; E584-R591 HydrophobicContact CG-CG 3.87Å; E584-L598 WeakPolarHBondContact O-CD2 3.29Å |
| 585 | C | 91.6 | Very high | 85.9 | Confident | 1 Ų | 1 | 81.1 Ų | 81.1 | 1% | 0.007 | 40% | 0.4 | C | S | . | . | | | trans | -88.1 | 113.9 | 171.3 | -171 | 0 | 0 | 0 | 0 | 111.6 | Q587 C588 K589 K590 F592 L598 | C585-Q587 PolarHBondContact O-N 3.32Å; C585-C588 PolarHBondContact O-N 2.88Å; C585-K589 VanDerWaalsContact O-CA 3.28Å; C585-K589 WeakPolarHBondContact O-CA 3.16Å; C585-K589 PolarHBondContact O-N 3.25Å; C585-K590 PolarHBondContact N-O 3.21Å; C585-F592 HydrophobicContact CB-CE2 4.34Å; C585-L598 HydrophobicContact CB-CD1 3.61Å |
| 586 | S | 87.8 | Confident | 86 | Confident | 99 Ų | 99 | 80.3 Ų | 80.3 | 69% | 0.692 | 40% | 0.401 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.1 | -22.3 | 179.4 | 54.5 | 0 | 0 | 0 | 0 | 115 | | |
| 587 | Q | 86.4 | Confident | 86.3 | Confident | 92 Ų | 92 | 81 Ų | 81 | 43% | 0.43 | 40% | 0.399 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -84.3 | -26.7 | -179.3 | -64.7 | -66.6 | -71 | 0 | 0 | 114.1 | C585 Y602 H605 | C585-Q587 PolarHBondContact O-N 3.32Å; Q587-Y602 HydrophobicContact CG-CE2 4.19Å; Q587-H605 HydrophobicContact CB-CB 4.37Å; Q587-H605 HydrophobicContact CG-CB 4.27Å |
| 588 | C | 90.3 | Very high | 86.7 | Confident | 48 Ų | 48 | 80.4 Ų | 80.4 | 32% | 0.324 | 40% | 0.397 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -148.8 | 13.8 | -175.3 | 73.3 | 0 | 0 | 0 | 0 | 115.2 | C585 K590 H601 H605 | C585-C588 PolarHBondContact O-N 2.88Å; C588-K590 PolarHBondContact O-N 2.82Å; C588-H601 PolarHBondContact SG-NE2 3.31Å; C588-H605 PolarHBondContact SG-CE1 2.85Å; C588-H605 PolarHBondContact SG-NE2 2.89Å |
| 589 | K | 88.9 | Confident | 87.1 | Confident | 160 Ų | 160 | 79.3 Ų | 79.3 | 70% | 0.696 | 39% | 0.39 | S | S | * | . | | | trans | 56.3 | 11.2 | 176.7 | -53.6 | -170 | -179.6 | -179.4 | 0 | 116.3 | E584 C585 R591 | E584-K589 HydrophobicContact CG-CB 4.49Å; E584-K589 WeakPolarHBondContact OE1-CB 3.24Å; E584-K589 WeakPolarHBondContact OE1-CG 3.42Å; C585-K589 VanDerWaalsContact O-CA 3.28Å; C585-K589 WeakPolarHBondContact O-CA 3.16Å; C585-K589 PolarHBondContact O-N 3.25Å; K589-R591 PolarHBondContact O-N 3.28Å |
| 590 | K | 88.9 | Confident | 87.5 | Confident | 130 Ų | 130 | 83.6 Ų | 83.6 | 57% | 0.565 | 40% | 0.398 | S | S | * | . | | | trans | -65.9 | 126.7 | 173.7 | -72 | -177 | 179 | -178 | 0 | 110.1 | C585 C588 F592 | C585-K590 PolarHBondContact N-O 3.21Å; C588-K590 PolarHBondContact O-N 2.82Å; K590-F592 HydrophobicContact CB-CE2 3.84Å; K590-F592 HydrophobicContact CB-CZ 4.06Å; K590-F592 WeakPolarHBondContact O-CD2 3.43Å; K590-F592 VanDerWaalsContact O-CE2 3.23Å; K590-F592 WeakPolarHBondContact O-CE2 3.31Å |
| 591 | R | 89.6 | Confident | 88.1 | Confident | 142 Ų | 142 | 83.3 Ų | 83.3 | 54% | 0.536 | 40% | 0.395 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.9 | 129 | -175.1 | -67.2 | 179.8 | 58 | 178.3 | 0.7 | 112.6 | K581 E584 K589 | K581-R591 HydrophobicContact CB-CB 3.8Å; K581-R591 PolarHBondContact O-NE 3.28Å; K581-R591 PolarHBondContact O-NH2 3.44Å; E584-R591 HydrophobicContact CB-CG 4.03Å; E584-R591 HydrophobicContact CG-CG 3.87Å; K589-R591 PolarHBondContact O-N 3.28Å |
| 592 | F | 87.8 | Confident | 88.5 | Confident | 45 Ų | 45 | 83 Ų | 83 | 20% | 0.197 | 39% | 0.392 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.6 | 150.4 | -176.5 | -59.3 | -90.3 | 0 | 0 | 0 | 111.6 | K581 R582 F583 C585 K590 H597 L598 H601 | K581-F592 CarbonylContact C-O 3.56Å; K581-F592 VanDerWaalsContact C-O 3.29Å; K581-F592 VanDerWaalsContact CA-O 3.31Å; K581-F592 WeakPolarHBondContact CA-O 3.45Å; R582-F592 PolarHBondContact N-O 2.94Å; F583-F592 HydrophobicContact CB-CB 4.27Å; F583-F592 WeakPolarHBondContact CB-O 3.37Å; F583-F592 PolarHBondContact N-O 3.18Å; F583-F592 PolarHBondContact O-N 3.29Å; C585-F592 HydrophobicContact CB-CE2 4.34Å; K590-F592 HydrophobicContact CB-CE2 3.84Å; K590-F592 HydrophobicContact CB-CZ 4.06Å; K590-F592 WeakPolarHBondContact O-CD2 3.43Å; K590-F592 VanDerWaalsContact O-CE2 3.23Å; K590-F592 WeakPolarHBondContact O-CE2 3.31Å; F592-H597 HydrophobicContact CB-CB 4.32Å; F592-H597 HydrophobicContact CD1-CB 3.91Å; F592-H597 HydrophobicContact CG-CB 4.38Å; F592-L598 HydrophobicContact CB-CB 4.37Å; F592-L598 HydrophobicContact CD2-CB 4.09Å; F592-L598 HydrophobicContact CD2-CD1 4.05Å; F592-L598 HydrophobicContact CE2-CD1 4.28Å; F592-L598 HydrophobicContact CG-CB 4.36Å; F592-H601 HydrophobicContact CE1-CB 4.13Å; F592-H601 HydrophobicContact CE2-CB 4.06Å; F592-H601 AromaticContact CE2-CD2 3.29Å; F592-H601 WeakPolarHBondContact CE2-CD2 3.43Å; F592-H601 AromaticContact CE2-CG 3.84Å; F592-H601 HydrophobicContact CZ-CB 3.6Å; F592-H601 AromaticContact CZ-CD2 3.29Å; F592-H601 WeakPolarHBondContact CZ-CD2 3.5Å; F592-H601 AromaticContact CZ-CG 3.4Å; F592-H601 VanDerWaalsContact CZ-CG 3.4Å; F592-H601 AromaticContact CZ-NE2 3.99Å |
| 593 | M | 86.6 | Confident | 88.8 | Confident | 56 Ų | 56 | 81 Ų | 81 | 28% | 0.276 | 39% | 0.387 | S | S | . | . | S | Bend | trans | -83.4 | -12.6 | 176 | 177.2 | 167.4 | 46.2 | 0 | 0 | 113.3 | R575 T576 | R575-M593 HydrophobicContact CB-CG 4Å; R575-M593 HydrophobicContact CB-SD 3.9Å; R575-M593 VanDerWaalsContact O-SD 3.34Å; T576-M593 VanDerWaalsContact CA-SD 3.53Å; T576-M593 HydrophobicContact CG2-CE 3.69Å; T576-M593 HydrophobicContact CG2-SD 3.93Å; T576-M593 PolarHBondContact N-SD 3.02Å |
| 594 | R | 85.1 | Confident | 88.9 | Confident | 67 Ų | 67 | 81.3 Ų | 81.3 | 25% | 0.253 | 40% | 0.395 | S | S | . | . | S | Bend | trans | -136 | 139.5 | -176.1 | -68.2 | 169.9 | 53.5 | 158.4 | -9.5 | 111.2 | R572 F583 D596 H597 L598 | R572-R594 HydrophobicContact CG-CG 4.15Å; F583-R594 VanDerWaalsContact CD2-C 3.43Å; R594-D596 WeakPolarHBondContact CB-OD1 3.41Å; R594-D596 IonicContact CZ-OD1 2.84Å; R594-D596 VanDerWaalsContact CZ-OD1 3.27Å; R594-D596 IonicContact CZ-OD2 3.22Å; R594-D596 IonicContact NE-OD1 2.66Å; R594-D596 PolarHBondContact NE-OD1 3.28Å; R594-D596 VanDerWaalsContact NH2-CG 3.27Å; R594-D596 IonicContact NH2-OD1 2.88Å; R594-D596 PolarHBondContact NH2-OD1 3.3Å; R594-D596 IonicContact NH2-OD2 3.83Å; R594-D596 PolarHBondContact NH2-OD2 2.95Å; R594-H597 HydrophobicContact CB-CB 4.2Å; R594-H597 PolarHBondContact NE-CD2 3.22Å; R594-H597 PolarHBondContact NE-NE2 3.4Å; R594-H597 PolarHBondContact O-N 3.2Å; R594-L598 PolarHBondContact O-N 2.74Å; R594-L598 VanDerWaalsContact O-N 3.16Å |
| 595 | S | 87.5 | Confident | 88.6 | Confident | 65 Ų | 65 | 78.2 Ų | 78.2 | 46% | 0.455 | 38% | 0.38 | S | S | . | . | H | α-helix | trans | -62.7 | -40 | 175.5 | 49.2 | 0 | 0 | 0 | 0 | 112.6 | H597 L598 T599 | S595-H597 VanDerWaalsContact C-N 3.28Å; S595-H597 PolarHBondContact O-N 3.37Å; S595-L598 CarbonylContact O-C 3.36Å; S595-L598 WeakPolarHBondContact O-CB 2.82Å; S595-L598 PolarHBondContact O-N 3.25Å; S595-L598 VanDerWaalsContact O-N 3.16Å; S595-T599 PolarHBondContact O-N 2.87Å; S595-T599 PolarHBondContact O-OG1 2.83Å |
| 596 | D | 88.8 | Confident | 88.2 | Confident | 51 Ų | 51 | 81.5 Ų | 81.5 | 27% | 0.273 | 40% | 0.397 | S | S | . | . | H | α-helix | trans | -68 | -27.9 | 178.9 | 78.8 | -66.8 | 0 | 0 | 0 | 112.9 | R594 K600 | R594-D596 WeakPolarHBondContact CB-OD1 3.41Å; R594-D596 IonicContact CZ-OD1 2.84Å; R594-D596 VanDerWaalsContact CZ-OD1 3.27Å; R594-D596 IonicContact CZ-OD2 3.22Å; R594-D596 IonicContact NE-OD1 2.66Å; R594-D596 PolarHBondContact NE-OD1 3.28Å; R594-D596 VanDerWaalsContact NH2-CG 3.27Å; R594-D596 IonicContact NH2-OD1 2.88Å; R594-D596 PolarHBondContact NH2-OD1 3.3Å; R594-D596 IonicContact NH2-OD2 3.83Å; R594-D596 PolarHBondContact NH2-OD2 2.95Å; D596-K600 WeakPolarHBondContact O-CB 3.49Å; D596-K600 WeakPolarHBondContact O-CD 3.5Å; D596-K600 VanDerWaalsContact O-CG 3.25Å; D596-K600 WeakPolarHBondContact O-CG 3.46Å; D596-K600 PolarHBondContact O-N 2.04Å; D596-K600 IonicContact OD2-NZ 2.71Å; D596-K600 PolarHBondContact OD2-NZ 3.09Å |
| 597 | H | 89.3 | Confident | 87.3 | Confident | 80 Ų | 80 | 81.7 Ų | 81.7 | 37% | 0.37 | 39% | 0.39 | S | S | . | . | H | α-helix | trans | -70 | -44.5 | 171.5 | -70.9 | -150.5 | 0 | 0 | 0 | 110.2 | F592 R594 S595 T599 K600 H601 | F592-H597 HydrophobicContact CB-CB 4.32Å; F592-H597 HydrophobicContact CD1-CB 3.91Å; F592-H597 HydrophobicContact CG-CB 4.38Å; R594-H597 HydrophobicContact CB-CB 4.2Å; R594-H597 PolarHBondContact NE-CD2 3.22Å; R594-H597 PolarHBondContact NE-NE2 3.4Å; R594-H597 PolarHBondContact O-N 3.2Å; S595-H597 VanDerWaalsContact C-N 3.28Å; S595-H597 PolarHBondContact O-N 3.37Å; H597-T599 PolarHBondContact O-N 3.06Å; H597-K600 PolarHBondContact O-N 2.82Å; H597-H601 WeakPolarHBondContact O-CB 3.28Å; H597-H601 PolarHBondContact O-N 3.13Å |
| 598 | L | 92.1 | Very high | 86.1 | Confident | 34 Ų | 34 | 81.9 Ų | 81.9 | 18% | 0.178 | 40% | 0.397 | C | S | . | . | H | α-helix | trans | -59.5 | -42.8 | 171.6 | 172.3 | 61 | 0 | 0 | 0 | 111.7 | F583 E584 C585 F592 R594 S595 H601 Y602 | F583-L598 HydrophobicContact CB-CB 4.08Å; F583-L598 HydrophobicContact CB-CD2 3.84Å; E584-L598 WeakPolarHBondContact O-CD2 3.29Å; C585-L598 HydrophobicContact CB-CD1 3.61Å; F592-L598 HydrophobicContact CB-CB 4.37Å; F592-L598 HydrophobicContact CD2-CB 4.09Å; F592-L598 HydrophobicContact CD2-CD1 4.05Å; F592-L598 HydrophobicContact CE2-CD1 4.28Å; F592-L598 HydrophobicContact CG-CB 4.36Å; R594-L598 PolarHBondContact O-N 2.74Å; R594-L598 VanDerWaalsContact O-N 3.16Å; S595-L598 CarbonylContact O-C 3.36Å; S595-L598 WeakPolarHBondContact O-CB 2.82Å; S595-L598 PolarHBondContact O-N 3.25Å; S595-L598 VanDerWaalsContact O-N 3.16Å; L598-H601 PolarHBondContact O-N 3.38Å; L598-Y602 WeakPolarHBondContact O-CB 3.42Å; L598-Y602 PolarHBondContact O-N 3.38Å |
| 599 | T | 90 | Very high | 84.6 | Confident | 80 Ų | 80 | 86 Ų | 86 | 49% | 0.491 | 41% | 0.41 | S | S | . | . | H | α-helix | trans | -65.6 | -39.4 | 178.1 | -51.2 | 0 | 0 | 0 | 0 | 112.3 | S595 H597 K603 | S595-T599 PolarHBondContact O-N 2.87Å; S595-T599 PolarHBondContact O-OG1 2.83Å; H597-T599 PolarHBondContact O-N 3.06Å; T599-K603 WeakPolarHBondContact O-CG 3.31Å; T599-K603 PolarHBondContact O-N 3.25Å |
| 600 | K | 89 | Confident | 82.8 | Confident | 132 Ų | 132 | 85 Ų | 85 | 57% | 0.574 | 41% | 0.412 | S | S | * | . | H | α-helix | trans | -62.7 | -42.6 | 172.7 | -74.2 | 163.8 | -178 | 160.9 | 0 | 111.3 | D596 H597 K603 | D596-K600 WeakPolarHBondContact O-CB 3.49Å; D596-K600 WeakPolarHBondContact O-CD 3.5Å; D596-K600 VanDerWaalsContact O-CG 3.25Å; D596-K600 WeakPolarHBondContact O-CG 3.46Å; D596-K600 PolarHBondContact O-N 2.04Å; D596-K600 IonicContact OD2-NZ 2.71Å; D596-K600 PolarHBondContact OD2-NZ 3.09Å; H597-K600 PolarHBondContact O-N 2.82Å; K600-K603 WeakPolarHBondContact O-CB 3.39Å; K600-K603 PolarHBondContact O-N 3.12Å |
| 601 | H | 90.9 | Very high | 80.8 | Confident | 30 Ų | 30 | 88.7 Ų | 88.7 | 14% | 0.139 | 44% | 0.437 | C | S | . | . | H | α-helix | trans | -70 | -38.7 | 177.7 | 177.9 | 52.9 | 0 | 0 | 0 | 113.2 | C588 F592 H597 L598 K603 T604 H605 | C588-H601 PolarHBondContact SG-NE2 3.31Å; F592-H601 HydrophobicContact CE1-CB 4.13Å; F592-H601 HydrophobicContact CE2-CB 4.06Å; F592-H601 AromaticContact CE2-CD2 3.29Å; F592-H601 WeakPolarHBondContact CE2-CD2 3.43Å; F592-H601 AromaticContact CE2-CG 3.84Å; F592-H601 HydrophobicContact CZ-CB 3.6Å; F592-H601 AromaticContact CZ-CD2 3.29Å; F592-H601 WeakPolarHBondContact CZ-CD2 3.5Å; F592-H601 AromaticContact CZ-CG 3.4Å; F592-H601 VanDerWaalsContact CZ-CG 3.4Å; F592-H601 AromaticContact CZ-NE2 3.99Å; H597-H601 WeakPolarHBondContact O-CB 3.28Å; H597-H601 PolarHBondContact O-N 3.13Å; L598-H601 PolarHBondContact O-N 3.38Å; H601-K603 PolarHBondContact O-N 3.14Å; H601-T604 PolarHBondContact O-N 2.71Å; H601-T604 PolarHBondContact O-OG1 2.89Å; H601-H605 AromaticContact CD2-NE2 3.77Å; H601-H605 AromaticContact CE1-CD2 3.92Å; H601-H605 AromaticContact CE1-CE1 3.97Å; H601-H605 AromaticContact CE1-NE2 3.16Å; H601-H605 PolarHBondContact CE1-NE2 2.83Å; H601-H605 AromaticContact NE2-CD2 3.79Å; H601-H605 AromaticContact NE2-CE1 3.99Å; H601-H605 AromaticContact NE2-NE2 2.98Å; H601-H605 PolarHBondContact NE2-NE2 2.95Å; H601-H605 PolarHBondContact O-CD2 3Å |
| 602 | Y | 89.4 | Confident | 80.3 | Confident | 107 Ų | 107 | 86 Ų | 86 | 42% | 0.42 | 43% | 0.432 | S | S | . | . | H | α-helix | trans | -58.8 | -31.5 | 173.8 | -171.4 | -95.7 | 0 | 0 | 0 | 111.6 | Q587 L598 T604 H605 I606 | Q587-Y602 HydrophobicContact CG-CE2 4.19Å; L598-Y602 WeakPolarHBondContact O-CB 3.42Å; L598-Y602 PolarHBondContact O-N 3.38Å; Y602-T604 VanDerWaalsContact C-N 3.3Å; Y602-T604 PolarHBondContact O-N 2.84Å; Y602-H605 PolarHBondContact O-N 2.66Å; Y602-I606 HydrophobicContact CD1-CG2 4.25Å; Y602-I606 HydrophobicContact CE1-CG2 3.79Å; Y602-I606 PolarHBondContact O-N 2.83Å |
| 603 | K | 89.2 | Confident | 79.9 | Confident | 124 Ų | 124 | 88.2 Ų | 88.2 | 54% | 0.539 | 44% | 0.444 | S | S | . | . | H | α-helix | trans | -69.7 | -18.1 | 173.5 | -70.6 | -179.6 | 177.6 | -166.8 | 0 | 114.6 | T599 K600 H601 I606 N607 | T599-K603 WeakPolarHBondContact O-CG 3.31Å; T599-K603 PolarHBondContact O-N 3.25Å; K600-K603 WeakPolarHBondContact O-CB 3.39Å; K600-K603 PolarHBondContact O-N 3.12Å; H601-K603 PolarHBondContact O-N 3.14Å; K603-I606 HydrophobicContact CB-CD1 4.46Å; K603-I606 HydrophobicContact CG-CD1 4.15Å; K603-N607 WeakPolarHBondContact O-CB 3.06Å; K603-N607 VanDerWaalsContact O-CG 3.22Å; K603-N607 PolarHBondContact O-N 3.33Å; K603-N607 PolarHBondContact O-OD1 2.9Å |
| 604 | T | 87.7 | Confident | 79.6 | Confident | 70 Ų | 70 | 89.9 Ų | 89.9 | 43% | 0.429 | 45% | 0.454 | S | S | . | . | H | α-helix | trans | -71.5 | -45.6 | 169.9 | 68.5 | 0 | 0 | 0 | 0 | 109.7 | H601 Y602 I606 N607 T608 | H601-T604 PolarHBondContact O-N 2.71Å; H601-T604 PolarHBondContact O-OG1 2.89Å; Y602-T604 VanDerWaalsContact C-N 3.3Å; Y602-T604 PolarHBondContact O-N 2.84Å; T604-I606 VanDerWaalsContact C-N 3.3Å; T604-I606 PolarHBondContact O-N 2.88Å; T604-N607 PolarHBondContact O-N 3.44Å; T604-N607 VanDerWaalsContact O-N 3.11Å; T604-T608 WeakPolarHBondContact O-CG2 3.07Å; T604-T608 PolarHBondContact O-N 3Å; T604-T608 PolarHBondContact O-OG1 3.28Å; T604-T608 VanDerWaalsContact O-OG1 3.13Å |
| 605 | H | 84 | Confident | 79.2 | Confident | 30 Ų | 30 | 91.3 Ų | 91.3 | 14% | 0.139 | 47% | 0.465 | C | S | . | . | H | α-helix | trans | -63.6 | -25.1 | -178.7 | -65.7 | -69.8 | 0 | 0 | 0 | 115.7 | Q587 C588 H601 Y602 K609 | Q587-H605 HydrophobicContact CB-CB 4.37Å; Q587-H605 HydrophobicContact CG-CB 4.27Å; C588-H605 PolarHBondContact SG-CE1 2.85Å; C588-H605 PolarHBondContact SG-NE2 2.89Å; H601-H605 AromaticContact CD2-NE2 3.77Å; H601-H605 AromaticContact CE1-CD2 3.92Å; H601-H605 AromaticContact CE1-CE1 3.97Å; H601-H605 AromaticContact CE1-NE2 3.16Å; H601-H605 PolarHBondContact CE1-NE2 2.83Å; H601-H605 AromaticContact NE2-CD2 3.79Å; H601-H605 AromaticContact NE2-CE1 3.99Å; H601-H605 AromaticContact NE2-NE2 2.98Å; H601-H605 PolarHBondContact NE2-NE2 2.95Å; H601-H605 PolarHBondContact O-CD2 3Å; Y602-H605 PolarHBondContact O-N 2.66Å; H605-K609 WeakPolarHBondContact O-CD 3.4Å; H605-K609 VanDerWaalsContact O-CG 3.28Å; H605-K609 WeakPolarHBondContact O-CG 3.33Å |
| 606 | I | 82.4 | Confident | 78.7 | Confident | 70 Ų | 70 | 92.9 Ų | 92.9 | 36% | 0.359 | 47% | 0.466 | S | S | . | . | H | α-helix | trans | -84.7 | -33.3 | 173.6 | 71.3 | -171.3 | 0 | 0 | 0 | 111.4 | Y602 K603 T604 K609 N610 | Y602-I606 HydrophobicContact CD1-CG2 4.25Å; Y602-I606 HydrophobicContact CE1-CG2 3.79Å; Y602-I606 PolarHBondContact O-N 2.83Å; K603-I606 HydrophobicContact CB-CD1 4.46Å; K603-I606 HydrophobicContact CG-CD1 4.15Å; T604-I606 VanDerWaalsContact C-N 3.3Å; T604-I606 PolarHBondContact O-N 2.88Å; I606-K609 PolarHBondContact O-N 3.14Å; I606-N610 PolarHBondContact O-ND2 3.11Å |
| 607 | N | 70 | Confident | 78.1 | Confident | 103 Ų | 103 | 95.7 Ų | 95.7 | 55% | 0.551 | 48% | 0.479 | S | S | * | . | H | α-helix | trans | -72.4 | -40.7 | 177.7 | -71.3 | 15.6 | 0 | 0 | 0 | 110.9 | K603 T604 K609 N610 L611 | K603-N607 WeakPolarHBondContact O-CB 3.06Å; K603-N607 VanDerWaalsContact O-CG 3.22Å; K603-N607 PolarHBondContact O-N 3.33Å; K603-N607 PolarHBondContact O-OD1 2.9Å; T604-N607 PolarHBondContact O-N 3.44Å; T604-N607 VanDerWaalsContact O-N 3.11Å; N607-K609 PolarHBondContact O-N 3.41Å; N607-N610 PolarHBondContact O-N 2.69Å; N607-N610 VanDerWaalsContact O-N 3.09Å; N607-L611 PolarHBondContact O-N 3.03Å |
| 608 | T | 61.4 | Low | 77.3 | Confident | 95 Ų | 95 | 96.9 Ų | 96.9 | 58% | 0.583 | 49% | 0.487 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -76.6 | 19.9 | 173.1 | 65 | 0 | 0 | 0 | 0 | 113.7 | T604 | T604-T608 WeakPolarHBondContact O-CG2 3.07Å; T604-T608 PolarHBondContact O-N 3Å; T604-T608 PolarHBondContact O-OG1 3.28Å; T604-T608 VanDerWaalsContact O-OG1 3.13Å |
| 609 | K | 57.5 | Low | 76.1 | Confident | 135 Ų | 135 | 101.7 Ų | 101.7 | 59% | 0.587 | 51% | 0.511 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -129.2 | 11.2 | 168.3 | -69.4 | -177.2 | -176.1 | -171.1 | 0 | 111.6 | H605 I606 N607 | H605-K609 WeakPolarHBondContact O-CD 3.4Å; H605-K609 VanDerWaalsContact O-CG 3.28Å; H605-K609 WeakPolarHBondContact O-CG 3.33Å; I606-K609 PolarHBondContact O-N 3.14Å; N607-K609 PolarHBondContact O-N 3.41Å |
| 610 | N | 52.6 | Low | 74.9 | Confident | 140 Ų | 140 | 103.5 Ų | 103.5 | 75% | 0.749 | 51% | 0.512 | S | S | * | . | | | trans | -127.7 | 10 | 172.1 | -73.2 | -95.2 | 0 | 0 | 0 | 111.1 | I606 N607 | I606-N610 PolarHBondContact O-ND2 3.11Å; N607-N610 PolarHBondContact O-N 2.69Å; N607-N610 VanDerWaalsContact O-N 3.09Å |
| 611 | L | 45.2 | Very low | 73.7 | Confident | 206 Ų | 206 | 100.9 Ų | 100.9 | 100% | 1.079 | 51% | 0.507 | S | S | * | . | | | trans | -111.9 | 0 | 151.3 | -77.1 | 74.7 | 0 | 0 | 0 | 105.6 | N607 | N607-L611 PolarHBondContact O-N 3.03Š|