| 1 | M | 31.6 | Very low | 36.6 | Very low | 233 Ų | 233 | 154.2 Ų | 154.2 | 100% | 1.148 | 85% | 0.847 | S | S | * | * | | | | 0 | 113.4 | 0 | -177.6 | 173 | -176.9 | 0 | 0 | 106.9 | | |
| 2 | V | 32.1 | Very low | 36.6 | Very low | 127 Ų | 127 | 150.6 Ų | 150.6 | 77% | 0.77 | 84% | 0.841 | S | S | * | * | | | trans | 62.7 | 110.3 | 174.3 | -170.6 | 0 | 0 | 0 | 0 | 114.7 | | |
| 3 | V | 37.6 | Very low | 36.4 | Very low | 125 Ų | 125 | 152.2 Ų | 152.2 | 76% | 0.758 | 84% | 0.844 | S | S | * | * | | | | 73.7 | 132 | 64.4 | 176.5 | 0 | 0 | 0 | 0 | 111.1 | | |
| 4 | T | 39.7 | Very low | 36.2 | Very low | 111 Ų | 111 | 154.4 Ų | 154.4 | 68% | 0.681 | 85% | 0.845 | S | S | * | * | | | cis | -159 | 147.1 | 39.2 | -4.2 | 0 | 0 | 0 | 0 | 110.9 | | |
| 5 | R | 41.9 | Very low | 35.8 | Very low | 232 Ų | 232 | 150.4 Ų | 150.4 | 88% | 0.875 | 84% | 0.841 | S | S | * | * | | | | 61.5 | 156.4 | 98.2 | -68.3 | -173.7 | -170.5 | -140.2 | 1.1 | 118.4 | | |
| 6 | S | 37.8 | Very low | 35.4 | Very low | 103 Ų | 103 | 152.4 Ų | 152.4 | 72% | 0.72 | 84% | 0.842 | S | S | * | * | | | cis | -177.5 | 138.1 | -15.4 | 51.8 | 0 | 0 | 0 | 0 | 109.3 | | |
| 7 | A | 39 | Very low | 35 | Very low | 97 Ų | 97 | 149.6 Ų | 149.6 | 80% | 0.802 | 84% | 0.835 | S | S | * | * | | | | 96.3 | 127.8 | 71.5 | 0 | 0 | 0 | 0 | 0 | 118.3 | | |
| 8 | R | 36.4 | Very low | 34.7 | Very low | 251 Ų | 251 | 146.5 Ų | 146.5 | 95% | 0.947 | 83% | 0.832 | S | S | * | * | | | trans | 29.4 | 165.7 | 150.7 | -85.1 | -174.6 | 176.1 | -174.9 | 1.2 | 122.9 | | |
| 9 | A | 36.4 | Very low | 34.2 | Very low | 99 Ų | 99 | 148.5 Ų | 148.5 | 82% | 0.818 | 83% | 0.833 | S | S | * | * | | | cis | -155.1 | -150.5 | 26.7 | 0 | 0 | 0 | 0 | 0 | 116.4 | | |
| 10 | K | 37.1 | Very low | 34 | Very low | 212 Ų | 212 | 145.8 Ų | 145.8 | 92% | 0.922 | 83% | 0.825 | S | S | * | * | | | trans | -113.8 | 165.8 | -169.8 | -44.9 | 172.2 | 175.8 | -176.7 | 0 | 115.3 | | |
| 11 | A | 33 | Very low | 34 | Very low | 106 Ų | 106 | 144.8 Ų | 144.8 | 88% | 0.876 | 83% | 0.827 | S | S | * | * | | | trans | -164 | 174.7 | 147.4 | 0 | 0 | 0 | 0 | 0 | 114.2 | | |
| 12 | S | 36.4 | Very low | 33.8 | Very low | 111 Ų | 111 | 136.9 Ų | 136.9 | 78% | 0.776 | 81% | 0.805 | S | S | * | * | | | trans | -168 | 153.2 | 177.8 | 59.7 | 0 | 0 | 0 | 0 | 112.8 | | |
| 13 | I | 34.8 | Very low | 33.8 | Very low | 171 Ų | 171 | 140 Ų | 140 | 88% | 0.877 | 81% | 0.811 | S | S | * | * | | | trans | -170.4 | 175.9 | 156.9 | -105.7 | 153.9 | 0 | 0 | 0 | 112.9 | | |
| 14 | Q | 33.3 | Very low | 33.5 | Very low | 183 Ų | 183 | 144.2 Ų | 144.2 | 86% | 0.855 | 82% | 0.819 | S | S | * | * | | | trans | -107.4 | 168.2 | -164.6 | -52.3 | 159.3 | -76.3 | 0 | 0 | 115 | | |
| 15 | A | 30.2 | Very low | 33.3 | Very low | 95 Ų | 95 | 144.1 Ų | 144.1 | 79% | 0.785 | 82% | 0.823 | S | S | * | * | | | | 138.3 | 121.1 | 122.4 | 0 | 0 | 0 | 0 | 0 | 118.8 | | |
| 16 | E | 29.3 | Very low | 32.9 | Very low | 183 Ų | 183 | 138.2 Ų | 138.2 | 86% | 0.855 | 82% | 0.817 | S | S | * | * | | | trans | 52.9 | 127.7 | 135.4 | -80.9 | -175.4 | -162.2 | 0 | 0 | 127.1 | | |
| 17 | S | 28 | Very low | 32.6 | Very low | 105 Ų | 105 | 138 Ų | 138 | 73% | 0.734 | 82% | 0.822 | S | S | * | * | | | | 95.4 | 126.4 | 123.3 | -69.4 | 0 | 0 | 0 | 0 | 125 | | |
| 18 | A | 29.9 | Very low | 32.1 | Very low | 93 Ų | 93 | 137 Ų | 137 | 77% | 0.769 | 81% | 0.814 | S | S | * | * | | | trans | 103.7 | 147.4 | 135 | 0 | 0 | 0 | 0 | 0 | 123.3 | | |
| 19 | E | 26.2 | Very low | 31.9 | Very low | 184 Ų | 184 | 133.2 Ų | 133.2 | 86% | 0.86 | 81% | 0.812 | S | S | * | * | | | trans | 65 | 164.9 | 164.2 | -55.9 | -161.2 | 141.3 | 0 | 0 | 121.5 | | |
| 20 | S | 29.4 | Very low | 31.4 | Very low | 95 Ų | 95 | 131.8 Ų | 131.8 | 66% | 0.664 | 81% | 0.807 | S | S | * | * | | | | -163.3 | -178.2 | -54.8 | 76.3 | 0 | 0 | 0 | 0 | 111.3 | | |
| 21 | S | 32.8 | Very low | 31.2 | Very low | 125 Ų | 125 | 129.2 Ų | 129.2 | 87% | 0.874 | 80% | 0.802 | S | S | * | * | | | trans | 75.1 | 153.4 | 175.1 | 83.8 | 0 | 0 | 0 | 0 | 118.1 | | |
| 22 | G | 28.9 | Very low | 31.1 | Very low | 67 Ų | 67 | 132.9 Ų | 132.9 | 69% | 0.691 | 80% | 0.801 | S | S | * | * | | | cis | 176.9 | 138.2 | -10.3 | 0 | 0 | 0 | 0 | 0 | 116.4 | | |
| 23 | Q | 32.4 | Very low | 30.7 | Very low | 192 Ų | 192 | 132 Ų | 132 | 90% | 0.897 | 80% | 0.801 | S | S | * | * | | | trans | 62.1 | 128.3 | 157.6 | -59.1 | -175.2 | -51.4 | 0 | 0 | 122.8 | | |
| 24 | K | 30.8 | Very low | 30.5 | Very low | 213 Ų | 213 | 133.1 Ų | 133.1 | 93% | 0.926 | 80% | 0.802 | S | S | * | * | | | | -163.9 | 162.5 | 112.4 | -103.3 | 157.8 | -172.1 | 170.7 | 0 | 113.1 | | |
| 25 | S | 34.7 | Very low | 31.6 | Very low | 109 Ų | 109 | 129.8 Ų | 129.8 | 76% | 0.762 | 80% | 0.796 | S | S | * | * | | | trans | -90.1 | -178 | -168.6 | 65.5 | 0 | 0 | 0 | 0 | 112.9 | | |
| 26 | S | 34.9 | Very low | 31.8 | Very low | 108 Ų | 108 | 133.4 Ų | 133.4 | 76% | 0.755 | 80% | 0.797 | S | S | * | * | | | cis | -175.4 | 165.9 | 6.8 | 15.8 | 0 | 0 | 0 | 0 | 107 | | |
| 27 | A | 29.8 | Very low | 31.8 | Very low | 98 Ų | 98 | 129.7 Ų | 129.7 | 81% | 0.81 | 79% | 0.791 | S | S | * | * | | | cis | -167.1 | -155.8 | -14.1 | 0 | 0 | 0 | 0 | 0 | 105.4 | | |
| 28 | A | 30.2 | Very low | 32 | Very low | 78 Ų | 78 | 129.1 Ų | 129.1 | 65% | 0.645 | 79% | 0.787 | S | S | * | * | | | cis | -164.9 | 173.9 | 1.3 | 0 | 0 | 0 | 0 | 0 | 109.7 | | |
| 29 | N | 31.2 | Very low | 32 | Very low | 170 Ų | 170 | 131.1 Ų | 131.1 | 91% | 0.909 | 79% | 0.79 | S | S | * | * | | | trans | 65.9 | 149.3 | 169.8 | -52 | -18 | 0 | 0 | 0 | 117.4 | | |
| 30 | G | 27.1 | Very low | 32.1 | Very low | 69 Ų | 69 | 125.2 Ų | 125.2 | 71% | 0.711 | 78% | 0.779 | S | S | * | * | | | cis | 165.8 | 121 | -14 | 0 | 0 | 0 | 0 | 0 | 115.6 | | |
| 31 | I | 32.6 | Very low | 32.4 | Very low | 158 Ų | 158 | 125.8 Ų | 125.8 | 81% | 0.81 | 78% | 0.783 | S | S | * | * | | | trans | 73.4 | 101.9 | 150.7 | -56.3 | 178.7 | 0 | 0 | 0 | 120.9 | | |
| 32 | Q | 29.7 | Very low | 32.3 | Very low | 183 Ų | 183 | 127.5 Ų | 127.5 | 86% | 0.855 | 78% | 0.782 | S | S | * | * | | | | 57.7 | 128.1 | 121.5 | -160.9 | 179.3 | 23.5 | 0 | 0 | 124 | | |
| 33 | A | 28.9 | Very low | 32.5 | Very low | 94 Ų | 94 | 127.8 Ų | 127.8 | 78% | 0.777 | 78% | 0.778 | S | S | * | * | | | | 162.1 | 154.5 | 127 | 0 | 0 | 0 | 0 | 0 | 116.7 | | |
| 34 | H | 30.6 | Very low | 32.6 | Very low | 193 Ų | 193 | 129.8 Ų | 129.8 | 89% | 0.894 | 78% | 0.777 | S | S | * | * | | | trans | -122.4 | -161.5 | 172.9 | -77.6 | -83.2 | 0 | 0 | 0 | 109.1 | | |
| 35 | P | 57 | Low | 32.5 | Very low | 114 Ų | 114 | 124.9 Ų | 124.9 | 74% | 0.74 | 77% | 0.766 | S | S | * | * | | | cis | -128.6 | -158.4 | -3.8 | 40 | -17.3 | 0 | 0 | 0 | 112.8 | | |
| 36 | E | 32.6 | Very low | 32.2 | Very low | 170 Ų | 170 | 125.6 Ų | 125.6 | 79% | 0.794 | 77% | 0.765 | S | S | * | * | | | cis | -120.1 | -139.7 | 0 | -64.8 | -171.9 | -142.5 | 0 | 0 | 110.8 | | |
| 37 | S | 30.3 | Very low | 31.9 | Very low | 106 Ų | 106 | 124.3 Ų | 124.3 | 74% | 0.741 | 76% | 0.761 | S | S | * | * | | | cis | -159.3 | 149.4 | 0.4 | 47.9 | 0 | 0 | 0 | 0 | 108.6 | | |
| 38 | S | 31 | Very low | 31.8 | Very low | 92 Ų | 92 | 127.8 Ų | 127.8 | 64% | 0.643 | 76% | 0.761 | S | S | * | * | | | cis | 83.4 | 127.5 | 36.1 | -169.6 | 0 | 0 | 0 | 0 | 114.1 | | |
| 39 | T | 31.3 | Very low | 31.9 | Very low | 136 Ų | 136 | 128.3 Ų | 128.3 | 83% | 0.834 | 76% | 0.76 | S | S | * | * | | | cis | -164.2 | 149.2 | -9.4 | -81.2 | 0 | 0 | 0 | 0 | 111.6 | | |
| 40 | G | 28.3 | Very low | 32 | Very low | 60 Ų | 60 | 128 Ų | 128 | 62% | 0.619 | 75% | 0.753 | S | S | * | * | | | trans | 122.4 | 126.9 | 159 | 0 | 0 | 0 | 0 | 0 | 116.3 | | |
| 41 | S | 34.4 | Very low | 32.1 | Very low | 107 Ų | 107 | 129.8 Ų | 129.8 | 75% | 0.748 | 75% | 0.75 | S | S | * | * | | | | 75.9 | 136.7 | 54.5 | 71.3 | 0 | 0 | 0 | 0 | 113.6 | | |
| 42 | D | 32.2 | Very low | 31.9 | Very low | 160 Ų | 160 | 129.3 Ų | 129.3 | 86% | 0.856 | 76% | 0.755 | S | S | * | * | | | cis | -170.2 | 172.2 | 1.1 | -102 | -30.2 | 0 | 0 | 0 | 105.6 | | |
| 43 | A | 32.3 | Very low | 31.8 | Very low | 74 Ų | 74 | 124 Ų | 124 | 61% | 0.612 | 75% | 0.749 | S | S | * | * | | | cis | 177.1 | 160.9 | -17.8 | 0 | 0 | 0 | 0 | 0 | 106.5 | | |
| 44 | R | 33.8 | Very low | 31.9 | Very low | 233 Ų | 233 | 129.1 Ų | 129.1 | 88% | 0.879 | 75% | 0.753 | S | S | * | * | | | trans | 65.7 | 160.8 | 158.9 | -80 | 178.9 | 164.6 | -178.6 | -3.5 | 118.5 | | |
| 45 | T | 28.6 | Very low | 31.8 | Very low | 111 Ų | 111 | 128.7 Ų | 128.7 | 68% | 0.681 | 75% | 0.752 | S | S | * | * | | | cis | -153.2 | 148 | 2.3 | -0.8 | 0 | 0 | 0 | 0 | 112.9 | | |
| 46 | T | 28.4 | Very low | 30.5 | Very low | 123 Ų | 123 | 127.8 Ų | 127.8 | 76% | 0.755 | 75% | 0.748 | S | S | * | * | | | trans | 37.7 | 145.5 | 144 | -9.1 | 0 | 0 | 0 | 0 | 125.3 | | |
| 47 | A | 29.2 | Very low | 30.5 | Very low | 82 Ų | 82 | 124.1 Ų | 124.1 | 68% | 0.678 | 74% | 0.741 | S | S | * | * | | | trans | 71.2 | 150.6 | 139.5 | 0 | 0 | 0 | 0 | 0 | 119.4 | | |
| 48 | E | 27.8 | Very low | 30.7 | Very low | 171 Ų | 171 | 126.4 Ų | 126.4 | 80% | 0.799 | 74% | 0.744 | S | S | * | * | | | cis | -162.2 | -178.6 | -15.2 | -127.9 | -171.9 | -138.6 | 0 | 0 | 110.1 | | |
| 49 | S | 33 | Very low | 31.4 | Very low | 88 Ų | 88 | 126.6 Ų | 126.6 | 62% | 0.615 | 74% | 0.743 | S | S | * | * | | | trans | 33.8 | 140.7 | 141.5 | -60.6 | 0 | 0 | 0 | 0 | 121.4 | | |
| 50 | Q | 32.3 | Very low | 31.4 | Very low | 164 Ų | 164 | 131.5 Ų | 131.5 | 77% | 0.766 | 75% | 0.746 | S | S | * | * | | | cis | 169 | 144.9 | -8.5 | -122.6 | -168.4 | 46.3 | 0 | 0 | 106.9 | | |
| 51 | T | 29.3 | Very low | 31.7 | Very low | 107 Ų | 107 | 134.6 Ų | 134.6 | 66% | 0.656 | 75% | 0.753 | S | S | * | * | | | trans | 70.5 | 149.4 | 149.5 | 70.3 | 0 | 0 | 0 | 0 | 124.1 | | |
| 52 | T | 29.3 | Very low | 32.3 | Very low | 147 Ų | 147 | 135.1 Ų | 135.1 | 90% | 0.902 | 75% | 0.754 | S | S | * | * | | | trans | 69.2 | 152.5 | 165.4 | 76.1 | 0 | 0 | 0 | 0 | 117.9 | | |
| 53 | G | 26.5 | Very low | 32.4 | Very low | 71 Ų | 71 | 136.7 Ų | 136.7 | 73% | 0.732 | 75% | 0.753 | S | S | * | * | | | cis | -173.2 | 157.4 | -5.9 | 0 | 0 | 0 | 0 | 0 | 114.6 | | |
| 54 | K | 31.5 | Very low | 32.3 | Very low | 202 Ų | 202 | 138 Ų | 138 | 88% | 0.878 | 76% | 0.763 | S | S | * | * | | | trans | -17.3 | 134.9 | 171 | -50.2 | 165.1 | -176.9 | 173.3 | 0 | 117.5 | | |
| 55 | Q | 29.5 | Very low | 32.2 | Very low | 185 Ų | 185 | 138.5 Ų | 138.5 | 86% | 0.864 | 77% | 0.765 | S | S | * | * | | | | -179.2 | 161.1 | 101.4 | -100.1 | -172.1 | -10 | 0 | 0 | 117.1 | | |
| 56 | S | 29.3 | Very low | 32.2 | Very low | 94 Ų | 94 | 141.7 Ų | 141.7 | 66% | 0.657 | 77% | 0.77 | S | S | * | * | | | trans | -49.4 | 165.6 | 161.9 | 44.4 | 0 | 0 | 0 | 0 | 116.5 | | |
| 57 | S | 32.3 | Very low | 32.3 | Very low | 93 Ų | 93 | 146 Ų | 146 | 65% | 0.65 | 77% | 0.772 | S | S | * | * | | | cis | 177.2 | -179.6 | -12.4 | 59.1 | 0 | 0 | 0 | 0 | 110 | | |
| 58 | I | 33.8 | Very low | 32.4 | Very low | 154 Ų | 154 | 150.9 Ų | 150.9 | 79% | 0.79 | 78% | 0.778 | S | S | * | * | | | trans | 72.2 | 157.3 | 160.1 | -68.2 | 165.5 | 0 | 0 | 0 | 113.6 | | |
| 59 | P | 45.4 | Very low | 32.5 | Very low | 96 Ų | 96 | 148.2 Ų | 148.2 | 62% | 0.623 | 78% | 0.778 | S | S | * | * | | | cis | -130.1 | 169.6 | 2.9 | 19.2 | 6.3 | 0 | 0 | 0 | 118.9 | | |
| 60 | R | 31.4 | Very low | 32.3 | Very low | 240 Ų | 240 | 154.1 Ų | 154.1 | 91% | 0.906 | 79% | 0.787 | S | S | * | * | | | trans | 76.7 | 136.4 | 139.8 | -77.7 | 163.1 | -171.2 | 174.7 | 2.4 | 122.8 | | |
| 61 | T | 36.1 | Very low | 32.1 | Very low | 125 Ų | 125 | 151.2 Ų | 151.2 | 77% | 0.767 | 78% | 0.781 | S | S | * | * | | | trans | -96.3 | 176 | 156 | 58.6 | 0 | 0 | 0 | 0 | 110.7 | | |
| 62 | P | 45.8 | Very low | 32.1 | Very low | 117 Ų | 117 | 151.9 Ų | 151.9 | 76% | 0.76 | 79% | 0.785 | S | S | * | * | | | | -149.2 | 137.9 | 112.3 | 35.9 | -19.2 | 0 | 0 | 0 | 118.3 | | |
| 63 | K | 33.9 | Very low | 32 | Very low | 194 Ų | 194 | 149.9 Ų | 149.9 | 84% | 0.843 | 78% | 0.777 | S | S | * | * | | | trans | 47.6 | 121.6 | 135.4 | -60.9 | -178.2 | 178.4 | 177.8 | 0 | 123.5 | | |
| 64 | A | 31.4 | Very low | 32.3 | Very low | 100 Ų | 100 | 152.5 Ų | 152.5 | 83% | 0.826 | 78% | 0.784 | S | S | * | * | | | trans | 73.6 | 166.3 | 137.2 | 0 | 0 | 0 | 0 | 0 | 118.3 | | |
| 65 | R | 30.5 | Very low | 32.3 | Very low | 245 Ų | 245 | 150.9 Ų | 150.9 | 93% | 0.925 | 78% | 0.784 | S | S | * | * | | | cis | -147 | 169 | 11.9 | -159.8 | 175.4 | -179.8 | -170.3 | 0.5 | 113.1 | | |
| 66 | K | 30.2 | Very low | 33.1 | Very low | 177 Ų | 177 | 147.4 Ų | 147.4 | 77% | 0.77 | 78% | 0.777 | S | S | * | * | | | trans | -65.6 | 151.5 | -171.1 | -64.3 | 176.3 | 176.1 | 176 | 0 | 118 | | |
| 67 | R | 28.9 | Very low | 33 | Very low | 213 Ų | 213 | 152.4 Ų | 152.4 | 80% | 0.804 | 79% | 0.788 | S | S | * | * | | | trans | 81.9 | 118.7 | 133.1 | -86.4 | 176 | 176.7 | -174.2 | -2.6 | 123 | | |
| 68 | K | 32.3 | Very low | 32.9 | Very low | 185 Ų | 185 | 151.3 Ų | 151.3 | 80% | 0.804 | 79% | 0.79 | S | S | * | * | | | | 68.2 | 138.6 | 126.8 | -79 | -165.2 | 170.9 | -166.1 | 0 | 122.6 | | |
| 69 | S | 29.5 | Very low | 32.8 | Very low | 115 Ų | 115 | 150.4 Ų | 150.4 | 80% | 0.804 | 79% | 0.793 | S | S | * | * | | | trans | 65 | 160.9 | 150.5 | 44 | 0 | 0 | 0 | 0 | 119.4 | | |
| 70 | R | 29.5 | Very low | 32.2 | Very low | 212 Ų | 212 | 155 Ų | 155 | 80% | 0.8 | 81% | 0.806 | S | S | * | * | | | cis | 172.1 | 138.4 | -31 | -174.4 | -170 | 86.6 | 168.9 | 3.6 | 104.9 | | |
| 71 | T | 28.4 | Very low | 32.7 | Very low | 103 Ų | 103 | 149.4 Ų | 149.4 | 63% | 0.632 | 80% | 0.8 | S | S | * | * | | | trans | 62.4 | 155.4 | 171.6 | 32.4 | 0 | 0 | 0 | 0 | 114 | | |
| 72 | T | 28.3 | Very low | 32.5 | Very low | 121 Ų | 121 | 148 Ų | 148 | 74% | 0.742 | 80% | 0.796 | S | S | * | * | | | cis | -165.2 | 156.4 | -2.8 | 15.6 | 0 | 0 | 0 | 0 | 107.1 | | |
| 73 | S | 28 | Very low | 32 | Very low | 106 Ų | 106 | 149 Ų | 149 | 74% | 0.741 | 80% | 0.8 | S | S | * | * | | | cis | 177.2 | 136.6 | -22 | 48.2 | 0 | 0 | 0 | 0 | 109.1 | | |
| 74 | S | 31.1 | Very low | 31.9 | Very low | 126 Ų | 126 | 146.7 Ų | 146.7 | 88% | 0.881 | 80% | 0.797 | S | S | * | * | | | trans | -152.5 | 153.7 | 168.4 | 50.9 | 0 | 0 | 0 | 0 | 113.3 | | |
| 75 | L | 32 | Very low | 32 | Very low | 168 Ų | 168 | 144.9 Ų | 144.9 | 88% | 0.88 | 79% | 0.787 | S | S | * | * | | | trans | -115.4 | 174.4 | -175 | -88.7 | 163.9 | 0 | 0 | 0 | 109.8 | | |
| 76 | P | 46.3 | Very low | 32.1 | Very low | 111 Ų | 111 | 142 Ų | 142 | 72% | 0.721 | 79% | 0.785 | S | S | * | * | | | cis | -131.4 | 174.8 | -11.1 | 33.8 | -15.5 | 0 | 0 | 0 | 114.4 | | |
| 77 | K | 27.9 | Very low | 32.3 | Very low | 200 Ų | 200 | 138.9 Ų | 138.9 | 87% | 0.87 | 78% | 0.781 | S | S | * | * | | | | 153 | 110.4 | 104.2 | -170.2 | 172.1 | -175.6 | 178.7 | 0 | 115 | | |
| 78 | G | 30.3 | Very low | 32.7 | Very low | 69 Ų | 69 | 132.5 Ų | 132.5 | 71% | 0.711 | 77% | 0.769 | S | S | * | * | | | trans | 83 | 154.2 | 157.4 | 0 | 0 | 0 | 0 | 0 | 117.1 | | |
| 79 | T | 32.2 | Very low | 32.7 | Very low | 136 Ų | 136 | 132.1 Ų | 132.1 | 83% | 0.834 | 77% | 0.77 | S | S | * | * | | | cis | -159.1 | 112.3 | -14.3 | -62.8 | 0 | 0 | 0 | 0 | 109.1 | | |
| 80 | E | 33 | Very low | 33 | Very low | 192 Ų | 192 | 130.4 Ų | 130.4 | 90% | 0.897 | 76% | 0.762 | S | S | * | * | | | trans | -169 | 139.9 | 160.5 | -120.5 | 167.5 | -137.9 | 0 | 0 | 110.3 | | |
| 81 | P | 40.2 | Very low | 33.2 | Very low | 122 Ų | 122 | 128.9 Ų | 128.9 | 79% | 0.792 | 76% | 0.764 | S | S | * | * | | | trans | -106.2 | 129.2 | 174.2 | 35.4 | -27.3 | 0 | 0 | 0 | 112.9 | | |
| 82 | S | 31.9 | Very low | 33.3 | Very low | 96 Ų | 96 | 128.2 Ų | 128.2 | 67% | 0.671 | 76% | 0.764 | S | S | * | * | | | trans | -99.3 | 156.6 | 144.4 | 69.6 | 0 | 0 | 0 | 0 | 109.2 | | |
| 83 | T | 35.2 | Very low | 33.5 | Very low | 138 Ų | 138 | 129.4 Ų | 129.4 | 85% | 0.847 | 77% | 0.766 | S | S | * | * | | | trans | -139.1 | 96.6 | 156.7 | 52.7 | 0 | 0 | 0 | 0 | 109 | | |
| 84 | D | 33.1 | Very low | 33.6 | Very low | 146 Ų | 146 | 135.6 Ų | 135.6 | 78% | 0.781 | 77% | 0.774 | S | S | * | * | | | trans | -56.3 | 164.3 | 144.5 | -49.8 | -88.3 | 0 | 0 | 0 | 108.9 | | |
| 85 | G | 33.6 | Very low | 33.5 | Very low | 61 Ų | 61 | 135 Ų | 135 | 63% | 0.629 | 77% | 0.771 | S | S | * | * | | | cis | 164.6 | -155.7 | 6 | 0 | 0 | 0 | 0 | 0 | 108 | | |
| 86 | E | 32.9 | Very low | 33.7 | Very low | 186 Ų | 186 | 132 Ų | 132 | 87% | 0.869 | 76% | 0.764 | S | S | * | * | | | trans | 66.8 | 151.3 | 165.9 | -55.5 | -165.1 | 128.6 | 0 | 0 | 116.7 | | |
| 87 | T | 34.3 | Very low | 33 | Very low | 111 Ų | 111 | 133.2 Ų | 133.2 | 68% | 0.681 | 77% | 0.769 | S | S | * | * | | | cis | -160 | -178.2 | -20.4 | 25.7 | 0 | 0 | 0 | 0 | 108.3 | | |
| 88 | S | 35.8 | Very low | 33.3 | Very low | 79 Ų | 79 | 127.8 Ų | 127.8 | 55% | 0.552 | 76% | 0.756 | S | S | * | * | | | trans | 80.3 | 119.9 | 151.8 | -61.2 | 0 | 0 | 0 | 0 | 116.4 | | |
| 89 | E | 33.3 | Very low | 33.7 | Very low | 177 Ų | 177 | 132.8 Ų | 132.8 | 83% | 0.827 | 76% | 0.761 | S | S | * | * | | | | 81 | 145 | 92 | -70.2 | 156.6 | -119.8 | 0 | 0 | 112.8 | | |
| 90 | A | 35.7 | Very low | 33.9 | Very low | 79 Ų | 79 | 134.5 Ų | 134.5 | 65% | 0.653 | 76% | 0.759 | S | S | * | * | | | cis | -159.2 | -170.8 | -18.2 | 0 | 0 | 0 | 0 | 0 | 107.3 | | |
| 91 | E | 32.8 | Very low | 34.2 | Very low | 180 Ų | 180 | 133.5 Ų | 133.5 | 84% | 0.841 | 75% | 0.754 | S | S | * | * | | | trans | 61.5 | 112.9 | 161.2 | -63.5 | 178.4 | -170.5 | 0 | 0 | 117.8 | | |
| 92 | S | 30.8 | Very low | 34 | Very low | 89 Ų | 89 | 135.4 Ų | 135.4 | 62% | 0.622 | 76% | 0.757 | S | S | * | * | | | | 94.9 | 147.1 | 66.7 | 87.1 | 0 | 0 | 0 | 0 | 114.7 | | |
| 93 | N | 32.4 | Very low | 34.4 | Very low | 146 Ų | 146 | 136.6 Ų | 136.6 | 78% | 0.781 | 76% | 0.761 | S | S | * | * | | | trans | 73.9 | 96.8 | 167 | -55.7 | -43.7 | 0 | 0 | 0 | 121.2 | | |
| 94 | Y | 30.2 | Very low | 34.8 | Very low | 235 Ų | 235 | 137.6 Ų | 137.6 | 92% | 0.922 | 76% | 0.759 | S | S | * | * | | | | 52.7 | 99.9 | 112.2 | -130.6 | -84.6 | 0 | 0 | 0 | 120.4 | | |
| 95 | S | 28.8 | Very low | 35.1 | Very low | 115 Ų | 115 | 136.6 Ų | 136.6 | 80% | 0.804 | 75% | 0.753 | S | S | * | * | | | | -169.9 | 149.1 | 126 | -167.1 | 0 | 0 | 0 | 0 | 112.4 | | |
| 96 | S | 37.9 | Very low | 35.4 | Very low | 105 Ų | 105 | 144.9 Ų | 144.9 | 73% | 0.734 | 77% | 0.765 | S | S | * | * | | | trans | -80.5 | 155.1 | 159.2 | -48.2 | 0 | 0 | 0 | 0 | 110.7 | | |
| 97 | V | 30.3 | Very low | 35.9 | Very low | 136 Ų | 136 | 141 Ų | 141 | 82% | 0.824 | 76% | 0.755 | S | S | * | * | | | trans | -176.7 | 149.7 | 140.8 | 133.6 | 0 | 0 | 0 | 0 | 113.1 | | |
| 98 | S | 34.6 | Very low | 37.2 | Very low | 86 Ų | 86 | 140.1 Ų | 140.1 | 60% | 0.601 | 75% | 0.749 | S | S | * | * | | | trans | 50.5 | 124.7 | 163.1 | 63.5 | 0 | 0 | 0 | 0 | 122 | | |
| 99 | E | 39.3 | Very low | 38.1 | Very low | 173 Ų | 173 | 148.4 Ų | 148.4 | 81% | 0.808 | 77% | 0.768 | S | S | * | * | | | trans | -63.1 | 145.8 | 147.1 | -61.2 | 154.9 | 117.7 | 0 | 0 | 110.7 | | |
| 100 | H | 35.9 | Very low | 39.2 | Very low | 173 Ų | 173 | 151.1 Ų | 151.1 | 80% | 0.801 | 77% | 0.771 | S | S | * | * | | | trans | -136.8 | 134.6 | 159.2 | -96.9 | -93.6 | 0 | 0 | 0 | 108.8 | | |
| 101 | H | 38.4 | Very low | 39.7 | Very low | 171 Ų | 171 | 157.4 Ų | 157.4 | 79% | 0.792 | 78% | 0.778 | S | S | * | * | | | trans | -96 | 126.1 | 178.4 | -72.3 | -68.7 | 0 | 0 | 0 | 111.1 | | |
| 102 | D | 37.3 | Very low | 40.7 | Very low | 161 Ų | 161 | 156.7 Ų | 156.7 | 86% | 0.861 | 77% | 0.774 | S | S | * | * | | | trans | -65.7 | 131.5 | 176.3 | -70.8 | -49.4 | 0 | 0 | 0 | 112.4 | | |
| 103 | T | 39.6 | Very low | 41.5 | Very low | 121 Ų | 121 | 159.4 Ų | 159.4 | 74% | 0.742 | 78% | 0.78 | S | S | * | * | | | trans | -100 | 108.7 | 175.3 | -61.4 | 0 | 0 | 0 | 0 | 110.1 | L105 | T103-L105 PolarHBondContact O-N 2.75Š|
| 104 | I | 44.1 | Very low | 42 | Very low | 159 Ų | 159 | 159.8 Ų | 159.8 | 82% | 0.815 | 78% | 0.781 | S | S | * | * | | | trans | -80.5 | 107.4 | -175.8 | -57 | 176.4 | 0 | 0 | 0 | 110.8 | | |
| 105 | L | 38.3 | Very low | 42.7 | Very low | 126 Ų | 126 | 155.8 Ų | 155.8 | 66% | 0.66 | 78% | 0.775 | S | S | * | * | | | trans | -91.8 | 115 | 173.7 | -73.8 | 171.4 | 0 | 0 | 0 | 111.7 | T103 L114 | T103-L105 PolarHBondContact O-N 2.75Å; L105-L114 HydrophobicContact CD2-CD2 4.26Å |
| 106 | R | 41.2 | Very low | 43.2 | Very low | 234 Ų | 234 | 155.1 Ų | 155.1 | 88% | 0.883 | 78% | 0.776 | S | S | * | * | | | trans | -101.9 | 89.7 | 175.1 | -164.5 | 175.5 | -170.2 | 174 | 3.5 | 111.3 | | |
| 107 | V | 42.4 | Very low | 43.1 | Very low | 106 Ų | 106 | 155.9 Ų | 155.9 | 64% | 0.642 | 78% | 0.78 | S | S | * | * | | | trans | -75.7 | 131.3 | 179.5 | -178.2 | 0 | 0 | 0 | 0 | 111 | | |
| 108 | T | 61.4 | Low | 43.6 | Very low | 92 Ų | 92 | 154.8 Ų | 154.8 | 56% | 0.564 | 78% | 0.778 | S | S | * | * | B | Isolated β-bridge | trans | -127.4 | 155.9 | 166.1 | 67.8 | 0 | 0 | 0 | 0 | 110.3 | R110 | T108-R110 PolarHBondContact O-N 3.01Å |
| 109 | R | 56.4 | Low | 44.2 | Very low | 252 Ų | 252 | 156.6 Ų | 156.6 | 95% | 0.951 | 79% | 0.788 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -65.5 | -6.7 | -152.7 | -147.7 | 177.6 | -175.3 | -166.4 | 2.1 | 116.8 | | |
| 110 | R | 55.8 | Low | 43.9 | Very low | 234 Ų | 234 | 155.5 Ų | 155.5 | 88% | 0.883 | 79% | 0.793 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -144.6 | 19.7 | -177.5 | -74.2 | -162.7 | 170.8 | -176.2 | -2.9 | 117.4 | T108 | T108-R110 PolarHBondContact O-N 3.01Š|
| 111 | R | 46.3 | Very low | 44.1 | Very low | 212 Ų | 212 | 152.2 Ų | 152.2 | 80% | 0.8 | 79% | 0.789 | S | S | * | * | B | Isolated β-bridge | trans | -169.2 | 151 | 161 | -99.8 | 139.2 | -151.8 | -103.8 | 6.6 | 111.3 | | |
| 112 | Q | 53 | Low | 44 | Very low | 165 Ų | 165 | 150 Ų | 150 | 77% | 0.771 | 79% | 0.793 | S | S | * | * | | | trans | -108 | 144.7 | 164.6 | -69.3 | 179.2 | -10.6 | 0 | 0 | 108.9 | | |
| 113 | I | 48.8 | Very low | 43.8 | Very low | 146 Ų | 146 | 148.8 Ų | 148.8 | 75% | 0.749 | 79% | 0.791 | S | S | * | * | | | trans | -135.4 | 125.7 | 172.8 | -58.9 | 178.3 | 0 | 0 | 0 | 107.1 | I115 | I113-I115 HydrophobicContact CG2-CG1 4.35Š|
| 114 | L | 41.4 | Very low | 43.6 | Very low | 153 Ų | 153 | 153.4 Ų | 153.4 | 80% | 0.801 | 80% | 0.795 | S | S | * | * | | | trans | -93.7 | 129.8 | 170.7 | -75.8 | 163.9 | 0 | 0 | 0 | 108.8 | L105 | L105-L114 HydrophobicContact CD2-CD2 4.26Š|
| 115 | I | 44.6 | Very low | 43.3 | Very low | 152 Ų | 152 | 154 Ų | 154 | 78% | 0.779 | 79% | 0.792 | S | S | * | * | | | trans | -112.1 | 112.3 | 172.6 | -59.1 | 177.3 | 0 | 0 | 0 | 106.9 | I113 | I113-I115 HydrophobicContact CG2-CG1 4.35Š|
| 116 | A | 39.3 | Very low | 43.2 | Very low | 100 Ų | 100 | 157.7 Ų | 157.7 | 83% | 0.826 | 80% | 0.802 | S | S | * | * | P | Polyproline II helix | trans | -99.2 | 122.1 | 177.7 | 0 | 0 | 0 | 0 | 0 | 110.2 | | |
| 117 | C | 36.9 | Very low | 43.6 | Very low | 122 Ų | 122 | 151.9 Ų | 151.9 | 82% | 0.824 | 80% | 0.795 | S | S | * | * | P | Polyproline II helix | trans | -82 | 129.2 | 172.4 | -64.4 | 0 | 0 | 0 | 0 | 110.1 | | |
| 118 | S | 39.6 | Very low | 42.9 | Very low | 113 Ų | 113 | 155.8 Ų | 155.8 | 79% | 0.79 | 80% | 0.803 | S | S | * | * | P | Polyproline II helix | trans | -78.2 | 133.6 | 179.4 | 53.6 | 0 | 0 | 0 | 0 | 112.3 | | |
| 119 | P | 49 | Very low | 41.5 | Very low | 123 Ų | 123 | 157.2 Ų | 157.2 | 80% | 0.799 | 81% | 0.811 | S | S | * | * | P | Polyproline II helix | trans | -79 | 141.6 | 177.8 | 31.6 | -34.5 | 0 | 0 | 0 | 112.6 | | |
| 120 | V | 33.1 | Very low | 40.3 | Very low | 151 Ų | 151 | 151.3 Ų | 151.3 | 92% | 0.915 | 80% | 0.803 | S | S | * | * | P | Polyproline II helix | trans | -81.1 | 121.4 | 171.1 | 177.6 | 0 | 0 | 0 | 0 | 109.5 | | |
| 121 | S | 38.8 | Very low | 39.6 | Very low | 104 Ų | 104 | 145.3 Ų | 145.3 | 73% | 0.727 | 80% | 0.795 | S | S | * | * | P | Polyproline II helix | trans | -93.3 | 129.6 | -176.8 | 59.3 | 0 | 0 | 0 | 0 | 113.2 | | |
| 122 | S | 36.6 | Very low | 38.7 | Very low | 124 Ų | 124 | 140.7 Ų | 140.7 | 87% | 0.867 | 79% | 0.79 | S | S | * | * | | | trans | -109.4 | 128.6 | 165 | 66.6 | 0 | 0 | 0 | 0 | 109.9 | | |
| 123 | V | 33.9 | Very low | 37.6 | Very low | 135 Ų | 135 | 142.2 Ų | 142.2 | 82% | 0.818 | 79% | 0.794 | S | S | * | * | | | trans | -130.7 | 140.7 | -172.8 | -179.5 | 0 | 0 | 0 | 0 | 111 | | |
| 124 | R | 35.2 | Very low | 36.7 | Very low | 219 Ų | 219 | 144.9 Ų | 144.9 | 83% | 0.826 | 80% | 0.804 | S | S | * | * | | | trans | -123.4 | 125.7 | 178.1 | -117.8 | -173.5 | 176.9 | -172.8 | 2.5 | 111.4 | | |
| 125 | K | 37.9 | Very low | 36.5 | Very low | 172 Ų | 172 | 143 Ų | 143 | 75% | 0.748 | 80% | 0.804 | S | S | * | * | | | trans | 64.9 | 107.8 | 152.5 | -62 | -175.8 | 175.9 | -173.3 | 0 | 120 | | |
| 126 | K | 35.6 | Very low | 35.7 | Very low | 203 Ų | 203 | 144.4 Ų | 144.4 | 88% | 0.883 | 80% | 0.8 | S | S | * | * | | | | 60.6 | 161.9 | 117.5 | -80.4 | -166.8 | 177.2 | -168.2 | 0 | 120.5 | | |
| 127 | P | 48.8 | Very low | 35.3 | Very low | 112 Ų | 112 | 145 Ų | 145 | 73% | 0.727 | 79% | 0.794 | S | S | * | * | | | cis | -136.6 | -175.6 | -19.5 | 34.1 | -14.1 | 0 | 0 | 0 | 114.8 | | |
| 128 | K | 28 | Very low | 35.2 | Very low | 187 Ų | 187 | 145.7 Ų | 145.7 | 81% | 0.813 | 79% | 0.785 | S | S | * | * | | | | 129.4 | 145.7 | 121.8 | -149.4 | -169.5 | 179.1 | -175.7 | 0 | 115.1 | | |
| 129 | V | 32.1 | Very low | 34.8 | Very low | 122 Ų | 122 | 148.5 Ų | 148.5 | 74% | 0.739 | 79% | 0.786 | S | S | * | * | | | trans | 74.1 | 123.5 | 167.3 | -166.7 | 0 | 0 | 0 | 0 | 117.4 | | |
| 130 | T | 30.9 | Very low | 34 | Very low | 128 Ų | 128 | 148.7 Ų | 148.7 | 79% | 0.785 | 78% | 0.778 | S | S | * | * | | | trans | -108.4 | 165.6 | 157.8 | 53.2 | 0 | 0 | 0 | 0 | 108.5 | | |
| 131 | P | 42 | Very low | 33.9 | Very low | 108 Ų | 108 | 148.3 Ų | 148.3 | 70% | 0.701 | 78% | 0.776 | S | S | * | * | | | | -149 | 172.7 | 98.3 | 40.9 | -25 | 0 | 0 | 0 | 115.8 | | |
| 132 | T | 27.9 | Very low | 33.8 | Very low | 115 Ų | 115 | 147.6 Ų | 147.6 | 71% | 0.706 | 77% | 0.771 | S | S | * | * | | | trans | 24.4 | 118.3 | 153.6 | 46.8 | 0 | 0 | 0 | 0 | 119.9 | | |
| 133 | K | 30 | Very low | 33.5 | Very low | 197 Ų | 197 | 150.7 Ų | 150.7 | 86% | 0.857 | 77% | 0.772 | S | S | * | * | | | | 59.5 | 114.9 | 80.9 | -75.4 | -169.3 | 173.9 | -170.4 | 0 | 113.8 | | |
| 134 | E | 28.2 | Very low | 33.5 | Very low | 203 Ų | 203 | 148 Ų | 148 | 95% | 0.949 | 77% | 0.765 | S | S | * | * | | | | -162.9 | 172.8 | 115.2 | -116.4 | 163.6 | -157.3 | 0 | 0 | 111.1 | | |
| 135 | S | 38.6 | Very low | 33.3 | Very low | 114 Ų | 114 | 146.5 Ų | 146.5 | 80% | 0.797 | 77% | 0.767 | S | S | * | * | | | trans | -135.4 | 138 | -174.5 | 53.7 | 0 | 0 | 0 | 0 | 110.2 | | |
| 136 | Y | 28 | Very low | 32.9 | Very low | 181 Ų | 181 | 143.9 Ų | 143.9 | 71% | 0.71 | 77% | 0.77 | S | S | * | * | | | trans | -137.9 | 158.7 | 167.5 | -158.3 | -99.2 | 0 | 0 | 0 | 111.2 | E138 | Y136-E138 HydrophobicContact CE1-CB 4.29Å; Y136-E138 HydrophobicContact CE1-CG 4.15Å; Y136-E138 WeakPolarHBondContact CE1-OE2 3.42Å; Y136-E138 VanDerWaalsContact CZ-OE2 3.32Å; Y136-E138 PolarHBondContact OH-OE1 2.85Å; Y136-E138 PolarHBondContact OH-OE2 3.05Å |
| 137 | T | 30.6 | Very low | 32.8 | Very low | 113 Ų | 113 | 142.6 Ų | 142.6 | 69% | 0.693 | 77% | 0.767 | S | S | * | * | | | trans | -117.7 | -152.4 | -169.9 | 43.5 | 0 | 0 | 0 | 0 | 110.8 | | |
| 138 | E | 33.7 | Very low | 31.9 | Very low | 136 Ų | 136 | 143 Ų | 143 | 64% | 0.636 | 77% | 0.767 | S | S | * | * | | | trans | 76.4 | 111.9 | 175.1 | -55.4 | 175.5 | 163.5 | 0 | 0 | 112.5 | Y136 | Y136-E138 HydrophobicContact CE1-CB 4.29Å; Y136-E138 HydrophobicContact CE1-CG 4.15Å; Y136-E138 WeakPolarHBondContact CE1-OE2 3.42Å; Y136-E138 VanDerWaalsContact CZ-OE2 3.32Å; Y136-E138 PolarHBondContact OH-OE1 2.85Å; Y136-E138 PolarHBondContact OH-OE2 3.05Å |
| 139 | E | 32.3 | Very low | 32 | Very low | 172 Ų | 172 | 139.5 Ų | 139.5 | 80% | 0.804 | 77% | 0.766 | S | S | * | * | | | cis | 69.5 | 139.6 | 46.3 | -141.7 | -166.8 | 152.5 | 0 | 0 | 109.6 | | |
| 140 | I | 32.5 | Very low | 31.7 | Very low | 126 Ų | 126 | 137.4 Ų | 137.4 | 65% | 0.646 | 77% | 0.769 | S | S | * | * | | | cis | -151.6 | 149.6 | 33.1 | -63.6 | 152.7 | 0 | 0 | 0 | 109.8 | | |
| 141 | V | 30.4 | Very low | 31.7 | Very low | 143 Ų | 143 | 138.9 Ų | 138.9 | 87% | 0.867 | 77% | 0.77 | S | S | * | * | | | trans | -158 | 126.4 | 135 | 166.3 | 0 | 0 | 0 | 0 | 109.1 | | |
| 142 | S | 36.4 | Very low | 31 | Very low | 90 Ų | 90 | 138.7 Ų | 138.7 | 63% | 0.629 | 77% | 0.772 | S | S | * | * | | | trans | -82.5 | -173.4 | 176 | -48.7 | 0 | 0 | 0 | 0 | 111.6 | | |
| 143 | E | 31 | Very low | 31 | Very low | 188 Ų | 188 | 144.2 Ų | 144.2 | 88% | 0.879 | 78% | 0.78 | S | S | * | * | | | cis | -164.2 | -163.1 | 18.7 | -149.9 | 161.3 | 177.7 | 0 | 0 | 109.6 | | |
| 144 | A | 33.2 | Very low | 31 | Very low | 80 Ų | 80 | 141.7 Ų | 141.7 | 66% | 0.661 | 77% | 0.774 | S | S | * | * | | | trans | 72.3 | 105.6 | -179.4 | 0 | 0 | 0 | 0 | 0 | 115.3 | | |
| 145 | E | 31.4 | Very low | 31 | Very low | 186 Ų | 186 | 138.4 Ų | 138.4 | 87% | 0.869 | 77% | 0.768 | S | S | * | * | | | | 90.6 | 98.7 | 67.3 | -82.5 | -173.9 | 124.1 | 0 | 0 | 114.4 | | |
| 146 | S | 30.2 | Very low | 30.7 | Very low | 118 Ų | 118 | 140.1 Ų | 140.1 | 83% | 0.825 | 77% | 0.767 | S | S | * | * | | | | 178.6 | 151.8 | 118.1 | 43.3 | 0 | 0 | 0 | 0 | 113.6 | | |
| 147 | H | 32.2 | Very low | 31.7 | Very low | 175 Ų | 175 | 136.9 Ų | 136.9 | 81% | 0.81 | 77% | 0.768 | S | S | * | * | | | trans | -71.8 | 139.9 | -173.3 | -61.4 | -71.5 | 0 | 0 | 0 | 112.5 | | |
| 148 | V | 30.4 | Very low | 31.7 | Very low | 122 Ų | 122 | 137.1 Ų | 137.1 | 74% | 0.739 | 77% | 0.769 | S | S | * | * | | | | 77.4 | 105.6 | 59.2 | 175 | 0 | 0 | 0 | 0 | 114.7 | | |
| 149 | S | 30.8 | Very low | 31.6 | Very low | 112 Ų | 112 | 137 Ų | 137 | 78% | 0.783 | 77% | 0.769 | S | S | * | * | | | trans | 48.2 | 111.8 | 142.9 | -55.9 | 0 | 0 | 0 | 0 | 123.5 | | |
| 150 | G | 25.7 | Very low | 31.8 | Very low | 78 Ų | 78 | 135.9 Ų | 135.9 | 80% | 0.804 | 76% | 0.761 | S | S | * | * | | | | 100.8 | -163.6 | 98 | 0 | 0 | 0 | 0 | 0 | 120.9 | | |
| 151 | I | 29.5 | Very low | 31.9 | Very low | 159 Ų | 159 | 137 Ų | 137 | 82% | 0.815 | 77% | 0.766 | S | S | * | * | | | trans | 85.1 | 88.4 | 168.7 | -50.7 | 177 | 0 | 0 | 0 | 118.5 | | |
| 152 | S | 29.1 | Very low | 32.2 | Very low | 104 Ų | 104 | 136 Ų | 136 | 73% | 0.727 | 76% | 0.76 | S | S | * | * | | | | 55.8 | 128.5 | 125.5 | -51.8 | 0 | 0 | 0 | 0 | 123.6 | | |
| 153 | R | 27.3 | Very low | 31.9 | Very low | 232 Ų | 232 | 134.8 Ų | 134.8 | 88% | 0.875 | 76% | 0.762 | S | S | * | * | | | | -171.3 | 120.1 | 113.4 | -101.8 | 166.3 | -165.6 | -174.2 | 6.4 | 116.3 | | |
| 154 | I | 29.2 | Very low | 32.1 | Very low | 144 Ų | 144 | 130.9 Ų | 130.9 | 74% | 0.738 | 75% | 0.751 | S | S | * | * | | | | 31.9 | 128.5 | 129.6 | -37.5 | 170.4 | 0 | 0 | 0 | 120.1 | | |
| 155 | V | 29.3 | Very low | 32.4 | Very low | 134 Ų | 134 | 137.9 Ų | 137.9 | 81% | 0.812 | 76% | 0.76 | S | S | * | * | | | | 173 | 146.8 | 120.1 | 154.2 | 0 | 0 | 0 | 0 | 112.7 | | |
| 156 | L | 30.7 | Very low | 32.6 | Very low | 150 Ų | 150 | 139.5 Ų | 139.5 | 79% | 0.785 | 76% | 0.759 | S | S | * | * | | | trans | -105.3 | -155.8 | 179.2 | -63.1 | 82.1 | 0 | 0 | 0 | 109.8 | | |
| 157 | P | 49.6 | Very low | 33 | Very low | 112 Ų | 112 | 138.3 Ų | 138.3 | 73% | 0.727 | 75% | 0.75 | S | S | * | * | | | cis | -123.6 | -158.6 | -18.7 | 36 | -12.6 | 0 | 0 | 0 | 111.3 | | |
| 158 | T | 30.3 | Very low | 33.2 | Very low | 118 Ų | 118 | 139.9 Ų | 139.9 | 72% | 0.724 | 76% | 0.755 | S | S | * | * | | | cis | -132.8 | 175.5 | 2.9 | 72.8 | 0 | 0 | 0 | 0 | 109.2 | | |
| 159 | E | 33.2 | Very low | 33.3 | Very low | 135 Ų | 135 | 137.9 Ų | 137.9 | 63% | 0.631 | 75% | 0.751 | S | S | * | * | | | cis | 85.1 | 145.9 | 9.1 | -138.6 | -142.1 | 149.4 | 0 | 0 | 118.6 | | |
| 160 | K | 34.4 | Very low | 33.7 | Very low | 147 Ų | 147 | 142 Ų | 142 | 64% | 0.639 | 76% | 0.755 | S | S | * | * | | | trans | 70.7 | 151.2 | 165.7 | -64.6 | -178.7 | 166.7 | 69.6 | 0 | 118.2 | | |
| 161 | M | 36.6 | Very low | 34 | Very low | 149 Ų | 149 | 142.9 Ų | 142.9 | 73% | 0.734 | 75% | 0.748 | S | S | * | * | | | cis | -163.3 | 165 | -10.3 | -115.1 | 167.4 | 52.2 | 0 | 0 | 107.8 | | |
| 162 | T | 34.8 | Very low | 34.1 | Very low | 122 Ų | 122 | 143 Ų | 143 | 75% | 0.748 | 75% | 0.75 | S | S | * | * | | | cis | -138.3 | -159.9 | 5.4 | -22.9 | 0 | 0 | 0 | 0 | 107.3 | | |
| 163 | G | 30.9 | Very low | 34.1 | Very low | 65 Ų | 65 | 144.5 Ų | 144.5 | 67% | 0.67 | 76% | 0.755 | S | S | * | * | | | cis | 171.5 | -176.4 | 4.3 | 0 | 0 | 0 | 0 | 0 | 109.1 | | |
| 164 | T | 36.1 | Very low | 33.9 | Very low | 107 Ų | 107 | 140.5 Ų | 140.5 | 66% | 0.656 | 75% | 0.751 | S | S | * | * | | | cis | -152 | 119.9 | -1.1 | -70.6 | 0 | 0 | 0 | 0 | 110.7 | | |
| 165 | R | 37.9 | Very low | 35.3 | Very low | 226 Ų | 226 | 138.9 Ų | 138.9 | 85% | 0.853 | 75% | 0.75 | S | S | * | * | | | trans | 65.7 | 152.7 | 167.4 | -62.8 | 168 | -172.8 | -178.8 | 1.2 | 115 | | |
| 166 | R | 36.2 | Very low | 35.2 | Very low | 221 Ų | 221 | 137.9 Ų | 137.9 | 83% | 0.834 | 75% | 0.749 | S | S | * | * | | | cis | -167.4 | 165.2 | -5.4 | -111 | 179.6 | 173.9 | 179.5 | -2.6 | 106.4 | | |
| 167 | S | 38.3 | Very low | 35.1 | Very low | 92 Ų | 92 | 138.5 Ų | 138.5 | 64% | 0.643 | 75% | 0.748 | S | S | * | * | | | cis | 177.6 | 144.1 | -31.5 | 54.8 | 0 | 0 | 0 | 0 | 110.2 | | |
| 168 | K | 36 | Very low | 33.9 | Very low | 208 Ų | 208 | 140.4 Ų | 140.4 | 90% | 0.904 | 75% | 0.747 | S | S | * | * | | | trans | 76.6 | 143.1 | -176.1 | -65 | -176.1 | 178 | -179.9 | 0 | 115 | | |
| 169 | A | 33.1 | Very low | 33.8 | Very low | 80 Ų | 80 | 138.8 Ų | 138.8 | 66% | 0.661 | 74% | 0.74 | S | S | * | * | | | cis | -164 | 156.5 | -13.3 | 0 | 0 | 0 | 0 | 0 | 112.4 | | |
| 170 | K | 38.6 | Very low | 33.6 | Very low | 199 Ų | 199 | 139.4 Ų | 139.4 | 87% | 0.865 | 74% | 0.743 | S | S | * | * | | | trans | 42.2 | 138.6 | 145.4 | -65.8 | -179.5 | 179.9 | -173 | 0 | 120.7 | | |
| 171 | S | 33.2 | Very low | 33.4 | Very low | 96 Ų | 96 | 137.8 Ų | 137.8 | 67% | 0.671 | 75% | 0.745 | S | S | * | * | | | cis | -177.7 | 146.3 | -3.4 | 48.3 | 0 | 0 | 0 | 0 | 114.4 | | |
| 172 | L | 31.8 | Very low | 33.1 | Very low | 163 Ų | 163 | 139.4 Ų | 139.4 | 85% | 0.853 | 75% | 0.751 | S | S | * | * | | | trans | 73.6 | 144.9 | 137 | -89.1 | 163.1 | 0 | 0 | 0 | 124.1 | | |
| 173 | T | 27.7 | Very low | 33 | Very low | 135 Ų | 135 | 137.7 Ų | 137.7 | 83% | 0.828 | 75% | 0.75 | S | S | * | * | | | trans | 105.5 | 150.2 | 150.1 | -51.6 | 0 | 0 | 0 | 0 | 117.7 | | |
| 174 | D | 24.7 | Very low | 33.3 | Very low | 148 Ų | 148 | 141.9 Ų | 141.9 | 79% | 0.791 | 76% | 0.755 | S | S | * | * | | | trans | -131.1 | -133 | -154.6 | -166.1 | 17.4 | 0 | 0 | 0 | 110.5 | | |
| 175 | P | 58 | Low | 33.1 | Very low | 109 Ų | 109 | 141.5 Ų | 141.5 | 71% | 0.708 | 76% | 0.757 | S | S | * | * | | | trans | -127.2 | 164.4 | -136.8 | 40.2 | -20.7 | 0 | 0 | 0 | 118.2 | | |
| 176 | S | 27 | Very low | 32.8 | Very low | 113 Ų | 113 | 137.1 Ų | 137.1 | 79% | 0.79 | 76% | 0.755 | S | S | * | * | | | trans | -160.1 | 160.8 | 150.3 | 79.5 | 0 | 0 | 0 | 0 | 109.5 | | |
| 177 | Q | 29.8 | Very low | 32.7 | Very low | 164 Ų | 164 | 130.7 Ų | 130.7 | 77% | 0.766 | 75% | 0.749 | S | S | * | * | | | cis | 75.3 | 143.6 | 24 | -81.8 | -70.4 | 9.7 | 0 | 0 | 117.5 | | |
| 178 | E | 24.5 | Very low | 32.4 | Very low | 152 Ų | 152 | 134.8 Ų | 134.8 | 71% | 0.71 | 76% | 0.758 | S | S | * | * | | | trans | 59.7 | 118.4 | 172.5 | -72.9 | -177 | 105.6 | 0 | 0 | 117.7 | | |
| 179 | S | 27.4 | Very low | 32.1 | Very low | 84 Ų | 84 | 130 Ų | 130 | 59% | 0.587 | 75% | 0.746 | S | S | * | * | | | | 90.5 | 157.8 | 74.4 | 89.9 | 0 | 0 | 0 | 0 | 112.4 | | |
| 180 | H | 28.4 | Very low | 31.9 | Very low | 147 Ų | 147 | 130.7 Ų | 130.7 | 68% | 0.681 | 75% | 0.746 | S | S | * | * | | | | -166.8 | 171.5 | 62 | -72.9 | -87.9 | 0 | 0 | 0 | 112.7 | | |
| 181 | T | 31.5 | Very low | 31.5 | Very low | 113 Ų | 113 | 126 Ų | 126 | 69% | 0.693 | 74% | 0.739 | S | S | * | * | | | trans | 58.6 | 124.5 | 151 | 47.2 | 0 | 0 | 0 | 0 | 119.5 | | |
| 182 | E | 28.5 | Very low | 31.2 | Very low | 183 Ų | 183 | 126.5 Ų | 126.5 | 86% | 0.855 | 74% | 0.742 | S | S | * | * | | | | 61.1 | 130.9 | 70.8 | -63.6 | -172.1 | 127.5 | 0 | 0 | 113.7 | | |
| 183 | A | 32.8 | Very low | 31 | Very low | 87 Ų | 87 | 125.7 Ų | 125.7 | 72% | 0.719 | 74% | 0.739 | S | S | * | * | | | cis | -130.9 | -165.2 | 5.4 | 0 | 0 | 0 | 0 | 0 | 109.7 | | |
| 184 | I | 38.8 | Very low | 31.1 | Very low | 153 Ų | 153 | 125.9 Ų | 125.9 | 79% | 0.785 | 73% | 0.733 | S | S | * | * | | | cis | -155.9 | 145 | 22.9 | -7.2 | 176.6 | 0 | 0 | 0 | 111.5 | | |
| 185 | S | 32.1 | Very low | 31.3 | Very low | 99 Ų | 99 | 124 Ų | 124 | 69% | 0.692 | 73% | 0.731 | S | S | * | * | | | trans | 43 | 121.1 | 139.9 | -69.4 | 0 | 0 | 0 | 0 | 123.3 | | |
| 186 | V | 31.4 | Very low | 30 | Very low | 133 Ų | 133 | 127.6 Ų | 127.6 | 81% | 0.806 | 74% | 0.736 | S | S | * | * | | | trans | 47.8 | 123.7 | 148.1 | -81.8 | 0 | 0 | 0 | 0 | 119.7 | | |
| 187 | A | 33.8 | Very low | 30.2 | Very low | 86 Ų | 86 | 127.1 Ų | 127.1 | 71% | 0.711 | 73% | 0.733 | S | S | * | * | | | | 69 | 142.6 | 78.9 | 0 | 0 | 0 | 0 | 0 | 113.6 | | |
| 188 | E | 32.2 | Very low | 30.2 | Very low | 179 Ų | 179 | 127.1 Ų | 127.1 | 84% | 0.836 | 73% | 0.733 | S | S | * | * | | | cis | -153.4 | -167 | 13.3 | -142 | 178.5 | -129.4 | 0 | 0 | 112.8 | | |
| 189 | T | 29.4 | Very low | 30.7 | Very low | 107 Ų | 107 | 127.1 Ų | 127.1 | 66% | 0.656 | 74% | 0.736 | S | S | * | * | | | trans | -38.6 | 165.6 | -177.3 | -15.6 | 0 | 0 | 0 | 0 | 121.1 | | |
| 190 | S | 29.6 | Very low | 30.8 | Very low | 95 Ų | 95 | 127.2 Ų | 127.2 | 66% | 0.664 | 74% | 0.742 | S | S | * | * | | | trans | 91.9 | 103.2 | 138.2 | -72.8 | 0 | 0 | 0 | 0 | 121.7 | | |
| 191 | S | 29.3 | Very low | 31.2 | Very low | 101 Ų | 101 | 126 Ų | 126 | 71% | 0.706 | 75% | 0.745 | S | S | * | * | | | | 50.1 | 160.8 | 109.8 | 71.6 | 0 | 0 | 0 | 0 | 123.2 | | |
| 192 | S | 27 | Very low | 31.3 | Very low | 106 Ų | 106 | 131 Ų | 131 | 74% | 0.741 | 75% | 0.751 | S | S | * | * | | | trans | 73 | 133.1 | -179 | 65.5 | 0 | 0 | 0 | 0 | 114.5 | | |
| 193 | D | 27.5 | Very low | 31.5 | Very low | 146 Ų | 146 | 131.5 Ų | 131.5 | 78% | 0.781 | 75% | 0.75 | S | S | * | * | | | cis | 96.9 | 119 | 30.8 | -81.4 | -47.6 | 0 | 0 | 0 | 114.7 | | |
| 194 | I | 29.8 | Very low | 31.5 | Very low | 139 Ų | 139 | 133.9 Ų | 133.9 | 71% | 0.713 | 76% | 0.756 | S | S | * | * | | | trans | 67.9 | 104.4 | 150.4 | -53.7 | 159.1 | 0 | 0 | 0 | 118.8 | F196 | I194-F196 HydrophobicContact CG2-CD2 4.37Š|
| 195 | S | 29.6 | Very low | 31.2 | Very low | 108 Ų | 108 | 136.9 Ų | 136.9 | 76% | 0.755 | 76% | 0.758 | S | S | * | * | | | | 166.7 | 118.1 | 126.2 | 55.1 | 0 | 0 | 0 | 0 | 109.6 | | |
| 196 | F | 30.1 | Very low | 31.4 | Very low | 185 Ų | 185 | 137.5 Ų | 137.5 | 81% | 0.811 | 76% | 0.762 | S | S | * | * | | | | 79.4 | 113.1 | 71.2 | -84.4 | -64.6 | 0 | 0 | 0 | 115.7 | I194 | I194-F196 HydrophobicContact CG2-CD2 4.37Š|
| 197 | S | 31.5 | Very low | 31.4 | Very low | 103 Ų | 103 | 137 Ų | 137 | 72% | 0.72 | 75% | 0.752 | S | S | * | * | | | trans | 64.5 | 158 | 148.6 | -69.3 | 0 | 0 | 0 | 0 | 119.6 | | |
| 198 | E | 29.5 | Very low | 31.5 | Very low | 164 Ų | 164 | 139.4 Ų | 139.4 | 77% | 0.766 | 75% | 0.749 | S | S | * | * | | | cis | -170.3 | -176.8 | -23.6 | -176.3 | 165.8 | 165.2 | 0 | 0 | 107.5 | | |
| 199 | I | 34.7 | Very low | 31.4 | Very low | 152 Ų | 152 | 140.6 Ų | 140.6 | 78% | 0.779 | 75% | 0.746 | S | S | * | * | | | trans | 77.5 | 110.7 | 168.8 | -46 | 169 | 0 | 0 | 0 | 113.7 | | |
| 200 | A | 30.2 | Very low | 31.6 | Very low | 85 Ų | 85 | 144.4 Ų | 144.4 | 70% | 0.702 | 75% | 0.753 | S | S | * | * | | | cis | 99.3 | 163.1 | 22.7 | 0 | 0 | 0 | 0 | 0 | 115.8 | | |
| 201 | T | 35.4 | Very low | 32 | Very low | 122 Ų | 122 | 148 Ų | 148 | 75% | 0.748 | 76% | 0.764 | S | S | * | * | | | trans | 87.3 | 142.6 | -173.5 | 75.7 | 0 | 0 | 0 | 0 | 115.9 | | |
| 202 | R | 35 | Very low | 32 | Very low | 218 Ų | 218 | 153 Ų | 153 | 82% | 0.823 | 77% | 0.773 | S | S | * | * | | | cis | -160.8 | 142.7 | -5.5 | -118.5 | 164.5 | -168.9 | -173.9 | 3.6 | 112.5 | | |
| 203 | K | 31.7 | Very low | 32.1 | Very low | 193 Ų | 193 | 151.6 Ų | 151.6 | 84% | 0.839 | 77% | 0.768 | S | S | * | * | | | trans | 33.8 | 141.6 | 147.7 | -66.7 | -179.2 | 174.7 | 178.1 | 0 | 120.4 | | |
| 204 | T | 32.5 | Very low | 32.6 | Very low | 137 Ų | 137 | 153.2 Ų | 153.2 | 84% | 0.84 | 77% | 0.771 | S | S | * | * | | | | -159 | -172.2 | 57.7 | 48.8 | 0 | 0 | 0 | 0 | 111.4 | | |
| 205 | R | 32.9 | Very low | 32.4 | Very low | 216 Ų | 216 | 153.6 Ų | 153.6 | 82% | 0.815 | 78% | 0.78 | S | S | * | * | | | | -165.4 | 105.1 | -54.2 | 175.2 | -161.4 | 168.7 | -175.9 | -4.1 | 110 | | |
| 206 | S | 36.8 | Very low | 32.3 | Very low | 112 Ų | 112 | 155.2 Ų | 155.2 | 78% | 0.783 | 78% | 0.776 | S | S | * | * | | | trans | -161.8 | 107.8 | 158.2 | -160.6 | 0 | 0 | 0 | 0 | 108.3 | | |
| 207 | M | 31.1 | Very low | 33 | Very low | 122 Ų | 122 | 154.8 Ų | 154.8 | 60% | 0.601 | 77% | 0.773 | S | S | * | * | | | | 63.3 | 126.9 | 78.2 | -61.8 | -66.4 | -69.1 | 0 | 0 | 113.8 | | |
| 208 | Q | 34.9 | Very low | 32.7 | Very low | 137 Ų | 137 | 159.8 Ų | 159.8 | 64% | 0.64 | 78% | 0.782 | S | S | * | * | | | cis | -170.8 | 148.3 | -23.6 | -128.7 | -171.7 | 49.5 | 0 | 0 | 105.7 | | |
| 209 | R | 31.5 | Very low | 33.3 | Very low | 205 Ų | 205 | 159.3 Ų | 159.3 | 77% | 0.774 | 79% | 0.785 | S | S | * | * | | | cis | -151.2 | 160.9 | 28.4 | -66.4 | 177.7 | 165 | 165.3 | -5.5 | 111.9 | | |
| 210 | K | 34.1 | Very low | 32.9 | Very low | 187 Ų | 187 | 157.4 Ų | 157.4 | 81% | 0.813 | 79% | 0.785 | S | S | * | * | | | trans | 38.8 | 123.1 | 143.2 | -68.7 | -176.7 | 179.1 | -171.5 | 0 | 119.3 | | |
| 211 | L | 37.3 | Very low | 32.9 | Very low | 171 Ų | 171 | 160.6 Ų | 160.6 | 90% | 0.895 | 78% | 0.783 | S | S | * | * | | | cis | -148.6 | 143.8 | -6.5 | -78 | 168.3 | 0 | 0 | 0 | 106.7 | | |
| 212 | K | 28 | Very low | 32.5 | Very low | 204 Ų | 204 | 161.2 Ų | 161.2 | 89% | 0.887 | 78% | 0.78 | S | S | * | * | | | trans | -127.5 | 126.3 | -175.7 | -150.8 | -177.8 | -176 | -177.6 | 0 | 113.4 | | |
| 213 | A | 30.8 | Very low | 32.8 | Very low | 77 Ų | 77 | 157.2 Ų | 157.2 | 64% | 0.636 | 78% | 0.78 | S | S | * | * | | | trans | 32.9 | 131.9 | 146.7 | 0 | 0 | 0 | 0 | 0 | 122.6 | | |
| 214 | Q | 37.6 | Very low | 33.2 | Very low | 181 Ų | 181 | 153.8 Ų | 153.8 | 85% | 0.846 | 78% | 0.777 | S | S | * | * | | | trans | 63.6 | 132.2 | 139 | -66.1 | -177.4 | 20.7 | 0 | 0 | 121.4 | | |
| 215 | T | 24.7 | Very low | 32.9 | Very low | 147 Ų | 147 | 150.4 Ų | 150.4 | 90% | 0.902 | 77% | 0.769 | S | S | * | * | | | | -152.3 | 176.4 | 126.8 | -8.4 | 0 | 0 | 0 | 0 | 110.5 | | |
| 216 | E | 27.3 | Very low | 32.8 | Very low | 142 Ų | 142 | 147.5 Ų | 147.5 | 66% | 0.664 | 77% | 0.77 | S | S | * | * | | | trans | -74.2 | 153.2 | -153.4 | -60.4 | -171.1 | 90.3 | 0 | 0 | 119.1 | | |
| 217 | K | 45.9 | Very low | 32.7 | Very low | 176 Ų | 176 | 149.2 Ų | 149.2 | 77% | 0.765 | 77% | 0.766 | S | S | * | * | | | trans | 35.1 | 105.5 | 136.2 | -59.2 | 165.4 | -174.2 | 151.3 | 0 | 118.5 | | |
| 218 | K | 25.5 | Very low | 32.8 | Very low | 208 Ų | 208 | 152.1 Ų | 152.1 | 90% | 0.904 | 78% | 0.775 | S | S | * | * | | | trans | -142.3 | 158 | 143.9 | -80.5 | -158.2 | 175.2 | -175 | 0 | 111.7 | | |
| 219 | D | 41.2 | Very low | 32.5 | Very low | 153 Ų | 153 | 152.2 Ų | 152.2 | 82% | 0.818 | 78% | 0.775 | S | S | * | * | | | trans | -70.5 | 136.1 | 179.1 | -62.5 | -92.4 | 0 | 0 | 0 | 113.9 | | |
| 220 | S | 26.1 | Very low | 32.3 | Very low | 112 Ų | 112 | 150.6 Ų | 150.6 | 78% | 0.783 | 78% | 0.78 | S | S | * | * | | | trans | -151 | 138.1 | 151.7 | 56.3 | 0 | 0 | 0 | 0 | 106.7 | | |
| 221 | K | 30.2 | Very low | 32.1 | Very low | 152 Ų | 152 | 147.2 Ų | 147.2 | 66% | 0.661 | 78% | 0.775 | S | S | * | * | | | cis | 76.4 | 112.5 | 13.3 | -145 | -145.3 | 173.9 | -168.3 | 0 | 115.6 | | |
| 222 | I | 28.3 | Very low | 31.7 | Very low | 136 Ų | 136 | 142.6 Ų | 142.6 | 70% | 0.697 | 77% | 0.769 | S | S | * | * | | | trans | 96 | 123.8 | 165.4 | -55.4 | 177.9 | 0 | 0 | 0 | 116 | | |
| 223 | V | 40.7 | Very low | 31.7 | Very low | 133 Ų | 133 | 139.3 Ų | 139.3 | 81% | 0.806 | 77% | 0.766 | S | S | * | * | | | trans | -89.7 | 131.6 | 168.5 | 164.4 | 0 | 0 | 0 | 0 | 107.9 | | |
| 224 | P | 40.8 | Very low | 32 | Very low | 122 Ų | 122 | 140.9 Ų | 140.9 | 79% | 0.792 | 77% | 0.77 | S | S | * | * | | | | -132.2 | 159.4 | 99.6 | 37.5 | -27.7 | 0 | 0 | 0 | 112.3 | | |
| 225 | G | 26.2 | Very low | 31.7 | Very low | 65 Ų | 65 | 138.7 Ų | 138.7 | 67% | 0.67 | 77% | 0.769 | S | S | * | * | | | cis | 117.9 | 103.6 | 4.3 | 0 | 0 | 0 | 0 | 0 | 111.6 | | |
| 226 | N | 30.2 | Very low | 31.7 | Very low | 156 Ų | 156 | 138.8 Ų | 138.8 | 83% | 0.834 | 76% | 0.764 | S | S | * | * | | | trans | -156.2 | 151.1 | 161.2 | 54 | -5.3 | 0 | 0 | 0 | 111.9 | | |
| 227 | E | 34.1 | Very low | 31.7 | Very low | 148 Ų | 148 | 135.9 Ų | 135.9 | 69% | 0.692 | 76% | 0.759 | S | S | * | * | | | trans | -111.3 | 138.3 | -174.7 | 177.2 | -173.4 | 165.7 | 0 | 0 | 109.4 | Q229 | E227-Q229 HydrophobicContact CG-CG 4.36Å; E227-Q229 PolarHBondContact OE1-NE2 3.38Å |
| 228 | K | 33.6 | Very low | 31 | Very low | 182 Ų | 182 | 135.3 Ų | 135.3 | 79% | 0.791 | 76% | 0.759 | S | S | * | * | | | trans | -148.6 | 119.4 | 164 | -65.7 | -168.1 | -179.9 | -172.6 | 0 | 105.1 | | |
| 229 | Q | 29 | Very low | 31.2 | Very low | 139 Ų | 139 | 132.6 Ų | 132.6 | 65% | 0.65 | 75% | 0.754 | S | S | * | * | | | cis | 52.1 | 90.8 | 29.2 | -67.5 | -157.5 | 45.5 | 0 | 0 | 112.7 | E227 | E227-Q229 HydrophobicContact CG-CG 4.36Å; E227-Q229 PolarHBondContact OE1-NE2 3.38Å |
| 230 | I | 26 | Very low | 31 | Very low | 171 Ų | 171 | 129.4 Ų | 129.4 | 88% | 0.877 | 74% | 0.744 | S | S | * | * | | | trans | -106.9 | 111.4 | 156.3 | -62.5 | 175.7 | 0 | 0 | 0 | 105.4 | | |
| 231 | V | 30.5 | Very low | 31.2 | Very low | 116 Ų | 116 | 131.2 Ų | 131.2 | 70% | 0.703 | 75% | 0.745 | S | S | * | * | | | trans | -125.7 | 137.1 | 174.5 | 170 | 0 | 0 | 0 | 0 | 108.1 | | |
| 232 | G | 29.1 | Very low | 31.4 | Very low | 75 Ų | 75 | 128.9 Ų | 128.9 | 77% | 0.773 | 74% | 0.743 | S | S | * | * | | | trans | 31.6 | 113.4 | 157.7 | 0 | 0 | 0 | 0 | 0 | 120.1 | | |
| 233 | T | 28.1 | Very low | 31.6 | Very low | 135 Ų | 135 | 133.3 Ų | 133.3 | 83% | 0.828 | 75% | 0.752 | S | S | * | * | | | trans | -148 | 139.4 | 156.6 | -48.3 | 0 | 0 | 0 | 0 | 108.5 | | |
| 234 | P | 35.9 | Very low | 32 | Very low | 110 Ų | 110 | 131.8 Ų | 131.8 | 71% | 0.714 | 74% | 0.744 | S | S | * | * | | | cis | -118.7 | -172.4 | -23.6 | 38.9 | -24.3 | 0 | 0 | 0 | 112.1 | | |
| 235 | V | 31.7 | Very low | 31.6 | Very low | 135 Ų | 135 | 132.3 Ų | 132.3 | 82% | 0.818 | 75% | 0.745 | S | S | * | * | | | trans | -86.6 | 131.1 | 162.9 | 169.5 | 0 | 0 | 0 | 0 | 110.4 | | |
| 236 | N | 26 | Very low | 32.2 | Very low | 149 Ų | 149 | 134.3 Ų | 134.3 | 80% | 0.797 | 75% | 0.749 | S | S | * | * | | | trans | -172.2 | 146.2 | 155.5 | -82.3 | -34.2 | 0 | 0 | 0 | 105.5 | | |
| 237 | S | 27.2 | Very low | 32.2 | Very low | 80 Ų | 80 | 134.6 Ų | 134.6 | 56% | 0.559 | 75% | 0.745 | S | S | * | * | | | cis | -161.9 | 165 | -7.7 | 46.4 | 0 | 0 | 0 | 0 | 108.6 | | |
| 238 | E | 29.8 | Very low | 32.3 | Very low | 164 Ų | 164 | 133.3 Ų | 133.3 | 77% | 0.766 | 74% | 0.742 | S | S | * | * | | | trans | 59.8 | 113.3 | 156.9 | -74.8 | 137.8 | -147.7 | 0 | 0 | 118.3 | | |
| 239 | D | 31.6 | Very low | 32.3 | Very low | 152 Ų | 152 | 132.8 Ų | 132.8 | 81% | 0.813 | 74% | 0.743 | S | S | * | * | | | | 85.1 | 147.7 | 78 | -86.9 | -8.9 | 0 | 0 | 0 | 113.5 | | |
| 240 | S | 35.6 | Very low | 32.3 | Very low | 86 Ų | 86 | 130.2 Ų | 130.2 | 60% | 0.601 | 75% | 0.745 | S | S | * | * | | | cis | -173.5 | 141.6 | -19.8 | 59.3 | 0 | 0 | 0 | 0 | 110.3 | | |
| 241 | D | 29.6 | Very low | 32.6 | Very low | 150 Ų | 150 | 133.6 Ų | 133.6 | 80% | 0.802 | 75% | 0.747 | S | S | * | * | | | trans | -171.5 | 134.3 | 151.4 | -107.1 | -29.3 | 0 | 0 | 0 | 112.3 | | |
| 242 | T | 35 | Very low | 32.7 | Very low | 102 Ų | 102 | 132 Ų | 132 | 63% | 0.626 | 74% | 0.74 | S | S | * | * | | | cis | -156.5 | 148.9 | -29.2 | 4.1 | 0 | 0 | 0 | 0 | 111.8 | | |
| 243 | R | 32.3 | Very low | 32.8 | Very low | 230 Ų | 230 | 136 Ų | 136 | 87% | 0.868 | 74% | 0.743 | S | S | * | * | | | trans | 69 | 156.2 | 150 | -73.4 | 178.7 | 177.3 | -167.1 | -0.6 | 120.5 | | |
| 244 | P | 49.3 | Very low | 33 | Very low | 101 Ų | 101 | 134 Ų | 134 | 66% | 0.656 | 74% | 0.735 | S | S | * | * | | | cis | -142.2 | 164.4 | -32 | 38.1 | -20.9 | 0 | 0 | 0 | 116.9 | | |
| 245 | T | 33 | Very low | 32.8 | Very low | 132 Ų | 132 | 137 Ų | 137 | 81% | 0.81 | 74% | 0.74 | S | S | * | * | | | trans | 66.2 | 142.5 | 152.5 | 44.4 | 0 | 0 | 0 | 0 | 120.5 | | |
| 246 | S | 38.6 | Very low | 32.7 | Very low | 107 Ų | 107 | 136.9 Ų | 136.9 | 75% | 0.748 | 73% | 0.733 | S | S | * | * | | | cis | -166.7 | 164.4 | -5.7 | 50.2 | 0 | 0 | 0 | 0 | 114.8 | | |
| 247 | H | 29.6 | Very low | 32.8 | Very low | 162 Ų | 162 | 137.4 Ų | 137.4 | 75% | 0.75 | 74% | 0.736 | S | S | * | * | | | trans | 99.5 | 84.4 | 139.4 | -144.6 | -89.5 | 0 | 0 | 0 | 124.8 | | |
| 248 | L | 36.6 | Very low | 33.3 | Very low | 121 Ų | 121 | 142.7 Ų | 142.7 | 63% | 0.634 | 75% | 0.749 | S | S | * | * | | | trans | 68.9 | 129.4 | 131.6 | -59.8 | -166.7 | 0 | 0 | 0 | 126.9 | | |
| 249 | Q | 33.4 | Very low | 33.9 | Very low | 172 Ų | 172 | 141.1 Ų | 141.1 | 80% | 0.804 | 75% | 0.753 | S | S | * | * | | | trans | 72 | 155.2 | 137.7 | -69.2 | 175.8 | 11.1 | 0 | 0 | 122.8 | | |
| 250 | A | 30.1 | Very low | 33.9 | Very low | 84 Ų | 84 | 140.3 Ų | 140.3 | 69% | 0.694 | 75% | 0.748 | S | S | * | * | | | cis | -176.4 | 154 | -31.8 | 0 | 0 | 0 | 0 | 0 | 113.5 | | |
| 251 | R | 30.9 | Very low | 33.8 | Very low | 242 Ų | 242 | 144.3 Ų | 144.3 | 91% | 0.913 | 76% | 0.755 | S | S | * | * | | | trans | 65.4 | 158.5 | 161.9 | -84 | -171 | 144.2 | 135.4 | -3.3 | 120.5 | | |
| 252 | S | 32.9 | Very low | 33.9 | Very low | 82 Ų | 82 | 146.7 Ų | 146.7 | 57% | 0.573 | 75% | 0.754 | S | S | * | * | | | cis | -177.1 | 144.4 | -34 | 52.9 | 0 | 0 | 0 | 0 | 115.3 | | |
| 253 | L | 31.2 | Very low | 33.8 | Very low | 160 Ų | 160 | 146.5 Ų | 146.5 | 84% | 0.838 | 75% | 0.75 | S | S | * | * | | | trans | 73.8 | 131 | 141.2 | -75.5 | 166.7 | 0 | 0 | 0 | 126.1 | | |
| 254 | S | 32 | Very low | 33.7 | Very low | 94 Ų | 94 | 143 Ų | 143 | 66% | 0.657 | 75% | 0.748 | S | S | * | * | | | | 77.5 | 115.5 | 127.3 | 70.4 | 0 | 0 | 0 | 0 | 126.7 | | |
| 255 | E | 32.2 | Very low | 33 | Very low | 173 Ų | 173 | 145 Ų | 145 | 81% | 0.808 | 75% | 0.753 | S | S | * | * | | | | 81.9 | 146.4 | 121.8 | -83.1 | -167.3 | 138.1 | 0 | 0 | 127.7 | | |
| 256 | I | 30.4 | Very low | 32.9 | Very low | 132 Ų | 132 | 147.8 Ų | 147.8 | 68% | 0.677 | 75% | 0.754 | S | S | * | * | | | trans | 91.1 | 121.2 | 142.9 | -77.2 | 159.9 | 0 | 0 | 0 | 124 | | |
| 257 | N | 27.7 | Very low | 32.8 | Very low | 160 Ų | 160 | 149.4 Ų | 149.4 | 86% | 0.856 | 76% | 0.755 | S | S | * | * | | | trans | 61.8 | 157.9 | 149.9 | -73.7 | -22.4 | 0 | 0 | 0 | 126.1 | | |
| 258 | K | 37.1 | Very low | 33.1 | Very low | 190 Ų | 190 | 148.6 Ų | 148.6 | 83% | 0.826 | 76% | 0.756 | S | S | * | * | | | trans | -115.8 | 160 | 170.8 | -63.8 | -176 | 177.1 | -175.4 | 0 | 111.2 | | |
| 259 | P | 42.3 | Very low | 33.1 | Very low | 131 Ų | 131 | 149.6 Ų | 149.6 | 85% | 0.851 | 76% | 0.762 | S | S | * | * | | | | -148.7 | -157.9 | 109.4 | 38.4 | -19.7 | 0 | 0 | 0 | 115.4 | | |
| 260 | N | 32.4 | Very low | 33.1 | Very low | 135 Ų | 135 | 149.7 Ų | 149.7 | 72% | 0.722 | 76% | 0.76 | S | S | * | * | | | trans | -113.9 | -175.6 | -165.1 | -76.2 | -7.7 | 0 | 0 | 0 | 115.5 | | |
| 261 | F | 33.9 | Very low | 33.1 | Very low | 170 Ų | 170 | 151.9 Ų | 151.9 | 75% | 0.746 | 77% | 0.77 | S | S | * | * | | | trans | 90.8 | 156.4 | 167.4 | -58.3 | -81.4 | 0 | 0 | 0 | 116.4 | | |
| 262 | Y | 31.7 | Very low | 33.1 | Very low | 200 Ų | 200 | 148.8 Ų | 148.8 | 78% | 0.784 | 77% | 0.766 | S | S | * | * | | | cis | -141.4 | 176.5 | 24.2 | -118.5 | -80.7 | 0 | 0 | 0 | 116 | | |
| 263 | N | 33.2 | Very low | 33 | Very low | 99 Ų | 99 | 156 Ų | 156 | 53% | 0.529 | 78% | 0.78 | S | S | . | * | | | trans | -76.2 | 175.7 | -161.7 | -41.2 | -13.3 | 0 | 0 | 0 | 118.8 | | |
| 264 | N | 29.7 | Very low | 32.9 | Very low | 156 Ų | 156 | 153.4 Ų | 153.4 | 83% | 0.834 | 78% | 0.775 | S | S | * | * | | | | -172.2 | 152.6 | 107.1 | -87.9 | -16.3 | 0 | 0 | 0 | 114 | | |
| 265 | D | 34.5 | Very low | 32.9 | Very low | 142 Ų | 142 | 153.6 Ų | 153.6 | 76% | 0.759 | 78% | 0.777 | S | S | * | * | | | trans | -113.2 | 173.2 | -178.8 | -63.2 | -73 | 0 | 0 | 0 | 112.6 | | |
| 266 | F | 29.8 | Very low | 32.8 | Very low | 191 Ų | 191 | 153.1 Ų | 153.1 | 84% | 0.838 | 78% | 0.775 | S | S | * | * | | | trans | -168.4 | 113.7 | 148.1 | -111.4 | -69.3 | 0 | 0 | 0 | 113.7 | | |
| 267 | D | 37.3 | Very low | 32.8 | Very low | 142 Ų | 142 | 152.9 Ų | 152.9 | 76% | 0.759 | 78% | 0.775 | S | S | * | * | | | trans | 18.5 | 150 | 146.4 | -41.8 | -17.4 | 0 | 0 | 0 | 122.7 | | |
| 268 | D | 36.3 | Very low | 33 | Very low | 145 Ų | 145 | 151.8 Ų | 151.8 | 78% | 0.775 | 77% | 0.767 | S | S | * | * | | | cis | -148.7 | -124.7 | -29.8 | -162.3 | -6 | 0 | 0 | 0 | 109.3 | | |
| 269 | D | 35.4 | Very low | 32.5 | Very low | 141 Ų | 141 | 149.3 Ų | 149.3 | 75% | 0.754 | 76% | 0.762 | S | S | * | * | | | cis | -156.5 | 175.4 | 0.6 | -178.4 | 22.2 | 0 | 0 | 0 | 109.9 | | |
| 270 | F | 33.6 | Very low | 31.6 | Very low | 175 Ų | 175 | 149 Ų | 149 | 77% | 0.768 | 76% | 0.758 | S | S | * | * | | | trans | -93.6 | 147 | -172.9 | -82.9 | -117.7 | 0 | 0 | 0 | 116.6 | | |
| 271 | S | 30.5 | Very low | 31.4 | Very low | 129 Ų | 129 | 148.1 Ų | 148.1 | 90% | 0.902 | 76% | 0.758 | S | S | * | * | | | trans | -174.6 | 166.3 | 131.4 | -93.2 | 0 | 0 | 0 | 0 | 118 | | |
| 272 | H | 31.5 | Very low | 31 | Very low | 178 Ų | 178 | 147 Ų | 147 | 82% | 0.824 | 76% | 0.755 | S | S | * | * | | | trans | -73.8 | 148.2 | -156.1 | -115.1 | -118.1 | 0 | 0 | 0 | 121.3 | | |
| 273 | R | 30.4 | Very low | 30.9 | Very low | 233 Ų | 233 | 144.1 Ų | 144.1 | 88% | 0.879 | 75% | 0.749 | S | S | * | * | | | trans | -28.5 | 130.8 | 154.3 | 172.6 | -153.9 | -83.9 | -148.8 | -5.3 | 118.5 | | |
| 274 | S | 28.4 | Very low | 30.6 | Very low | 105 Ų | 105 | 146.9 Ų | 146.9 | 73% | 0.734 | 76% | 0.758 | S | S | * | * | | | trans | -167.5 | 131.6 | 145.4 | 33 | 0 | 0 | 0 | 0 | 107.4 | | |
| 275 | S | 32.2 | Very low | 30.5 | Very low | 98 Ų | 98 | 144 Ų | 144 | 69% | 0.685 | 76% | 0.756 | S | S | * | * | | | | 93 | 102.9 | 50.7 | 74.3 | 0 | 0 | 0 | 0 | 114.9 | | |
| 276 | E | 30.5 | Very low | 30.1 | Very low | 164 Ų | 164 | 144.2 Ų | 144.2 | 77% | 0.766 | 76% | 0.757 | S | S | * | * | | | trans | 67.9 | 149.1 | 145.9 | -54.1 | -177.9 | -168.6 | 0 | 0 | 122.6 | | |
| 277 | N | 30.3 | Very low | 30.1 | Very low | 127 Ų | 127 | 141 Ų | 141 | 68% | 0.679 | 75% | 0.753 | S | S | * | * | | | trans | 71.3 | 153.2 | 150.4 | -60.2 | -28.7 | 0 | 0 | 0 | 119.1 | | |
| 278 | I | 31 | Very low | 29.7 | Very low | 136 Ų | 136 | 143 Ų | 143 | 70% | 0.697 | 76% | 0.758 | S | S | * | * | | | cis | -158.8 | 156.3 | -23.9 | -115.3 | 165.9 | 0 | 0 | 0 | 109.5 | | |
| 279 | L | 26.7 | Very low | 29.4 | Very low | 138 Ų | 138 | 140.8 Ų | 140.8 | 72% | 0.723 | 75% | 0.754 | S | S | * | * | | | trans | 13.7 | 139 | 161.1 | -63.8 | 167.2 | 0 | 0 | 0 | 123.5 | | |
| 280 | T | 25 | Very low | 29.1 | Very low | 124 Ų | 124 | 141.2 Ų | 141.2 | 76% | 0.761 | 76% | 0.755 | S | S | * | * | | | trans | 67.7 | 157.6 | 147.2 | 56.7 | 0 | 0 | 0 | 0 | 117.7 | | |
| 281 | V | 27.6 | Very low | 28.9 | Very low | 118 Ų | 118 | 142.5 Ų | 142.5 | 72% | 0.715 | 76% | 0.76 | S | S | * | * | | | cis | -147.9 | 174.3 | 14.7 | -132.4 | 0 | 0 | 0 | 0 | 108.2 | | |
| 282 | Q | 26.4 | Very low | 28.9 | Very low | 146 Ų | 146 | 144.6 Ų | 144.6 | 68% | 0.682 | 76% | 0.756 | S | S | * | * | | | cis | -161.2 | 145.4 | 0.1 | -166.7 | 166.7 | -55.1 | 0 | 0 | 110.2 | | |
| 283 | E | 28.9 | Very low | 28.6 | Very low | 140 Ų | 140 | 142.2 Ų | 142.2 | 65% | 0.654 | 75% | 0.754 | S | S | * | * | | | trans | 59.2 | 161.6 | 158.2 | -81.8 | 179 | 109.1 | 0 | 0 | 120.3 | | |
| 284 | Q | 27 | Very low | 28.5 | Very low | 156 Ų | 156 | 140.6 Ų | 140.6 | 73% | 0.729 | 75% | 0.753 | S | S | * | * | | | cis | -151.5 | 142.5 | 7.3 | -142 | 166.8 | 49.8 | 0 | 0 | 112.3 | | |
| 285 | A | 26.7 | Very low | 28.5 | Very low | 95 Ų | 95 | 144.9 Ų | 144.9 | 79% | 0.785 | 76% | 0.762 | S | S | * | * | | | trans | 52.6 | 151.2 | 158 | 0 | 0 | 0 | 0 | 0 | 119.8 | | |
| 286 | N | 26.5 | Very low | 28.1 | Very low | 148 Ų | 148 | 146.6 Ų | 146.6 | 79% | 0.791 | 76% | 0.763 | S | S | * | * | | | cis | -165.8 | 168.7 | 20 | -161.5 | -1 | 0 | 0 | 0 | 111.4 | | |
| 287 | V | 30.8 | Very low | 27.9 | Very low | 124 Ų | 124 | 143.2 Ų | 143.2 | 75% | 0.752 | 76% | 0.757 | S | S | * | * | | | trans | 66 | 107.1 | 163.5 | -164.5 | 0 | 0 | 0 | 0 | 119.7 | | |
| 288 | E | 28.9 | Very low | 27.9 | Very low | 184 Ų | 184 | 145.1 Ų | 145.1 | 86% | 0.86 | 76% | 0.759 | S | S | * | * | | | trans | -93.1 | 165.8 | 158.4 | -100 | -170.7 | 119.1 | 0 | 0 | 111.4 | | |
| 289 | S | 28 | Very low | 27.7 | Very low | 98 Ų | 98 | 144.2 Ų | 144.2 | 69% | 0.685 | 76% | 0.756 | S | S | * | * | | | cis | -159.2 | 155.8 | -2 | 50.5 | 0 | 0 | 0 | 0 | 111 | | |
| 290 | L | 30 | Very low | 27.9 | Very low | 149 Ų | 149 | 144.7 Ų | 144.7 | 78% | 0.78 | 76% | 0.758 | S | S | * | * | | | trans | -71.8 | 162.6 | 167.8 | -65.6 | 84.5 | 0 | 0 | 0 | 112.8 | | |
| 291 | K | 29.1 | Very low | 28.1 | Very low | 202 Ų | 202 | 144.4 Ų | 144.4 | 88% | 0.878 | 75% | 0.752 | S | S | * | * | | | | -172.1 | 160.7 | 108.8 | -98 | 151.7 | -170.4 | 166.3 | 0 | 115 | | |
| 292 | E | 31.8 | Very low | 28.4 | Very low | 174 Ų | 174 | 146.5 Ų | 146.5 | 81% | 0.813 | 75% | 0.754 | S | S | * | * | | | trans | -78.4 | 156.1 | -170.3 | -53.2 | 155 | 99.3 | 0 | 0 | 113.3 | | |
| 293 | T | 23.4 | Very low | 28.5 | Very low | 128 Ų | 128 | 148.1 Ų | 148.1 | 79% | 0.785 | 77% | 0.767 | S | S | * | * | | | trans | -157.9 | 138.9 | 141.2 | -10.5 | 0 | 0 | 0 | 0 | 114 | | |
| 294 | K | 30 | Very low | 28.7 | Very low | 199 Ų | 199 | 145.2 Ų | 145.2 | 87% | 0.865 | 77% | 0.767 | S | S | * | * | | | trans | 4.5 | 131 | 152 | -58.2 | 165.5 | -175.4 | 171.2 | 0 | 117.9 | | |
| 295 | Q | 28.4 | Very low | 28.8 | Very low | 194 Ų | 194 | 145.8 Ų | 145.8 | 91% | 0.907 | 78% | 0.775 | S | S | * | * | | | trans | -113.4 | 150.2 | 154.2 | -167.2 | 165.3 | -1.7 | 0 | 0 | 111.2 | | |
| 296 | N | 23.5 | Very low | 29 | Very low | 135 Ų | 135 | 144.3 Ų | 144.3 | 72% | 0.722 | 77% | 0.769 | S | S | * | * | | | trans | -135.1 | 131.1 | -178 | 176.3 | 30.3 | 0 | 0 | 0 | 109 | | |
| 297 | C | 26.3 | Very low | 29.2 | Very low | 93 Ų | 93 | 144.7 Ų | 144.7 | 63% | 0.628 | 77% | 0.77 | S | S | * | * | | | trans | 58.2 | 138 | 159 | -85.4 | 0 | 0 | 0 | 0 | 121 | | |
| 298 | K | 29.3 | Very low | 29.2 | Very low | 167 Ų | 167 | 144.9 Ų | 144.9 | 73% | 0.726 | 77% | 0.772 | S | S | * | * | | | trans | 74.1 | 149 | 144.2 | -66.4 | -178.1 | 151.1 | -65 | 0 | 117.6 | | |
| 299 | D | 28.2 | Very low | 29.1 | Very low | 117 Ų | 117 | 143.3 Ų | 143.3 | 63% | 0.626 | 77% | 0.769 | S | S | * | * | | | cis | -159.8 | -164.1 | -7.2 | -104 | -18.3 | 0 | 0 | 0 | 108.1 | | |
| 300 | L | 31.1 | Very low | 29.3 | Very low | 147 Ų | 147 | 147.9 Ų | 147.9 | 77% | 0.77 | 78% | 0.78 | S | S | * | * | | | trans | 102.3 | 103.5 | 172.4 | -55.9 | -177.7 | 0 | 0 | 0 | 113.9 | | |
| 301 | N | 28 | Very low | 29.2 | Very low | 119 Ų | 119 | 144.4 Ų | 144.4 | 64% | 0.636 | 78% | 0.78 | S | S | * | * | | | | 84 | 146.4 | 78 | -75.3 | 31 | 0 | 0 | 0 | 111 | | |
| 302 | E | 33.5 | Very low | 29.4 | Very low | 161 Ų | 161 | 144.7 Ų | 144.7 | 75% | 0.752 | 78% | 0.781 | S | S | * | * | | | cis | -163.3 | 146.7 | -10.9 | -113.1 | 166 | 145.1 | 0 | 0 | 106 | | |
| 303 | D | 29.6 | Very low | 29.2 | Very low | 180 Ų | 180 | 144.5 Ų | 144.5 | 96% | 0.963 | 78% | 0.78 | S | S | * | * | | | trans | -166.3 | 153.6 | 144.6 | -112.1 | -31.7 | 0 | 0 | 0 | 110.1 | | |
| 304 | A | 32 | Very low | 29.4 | Very low | 80 Ų | 80 | 145.3 Ų | 145.3 | 66% | 0.661 | 78% | 0.778 | S | S | * | * | | | trans | -124.1 | 154.2 | -166.7 | 0 | 0 | 0 | 0 | 0 | 113.2 | | |
| 305 | N | 30.5 | Very low | 29.4 | Very low | 168 Ų | 168 | 143 Ų | 143 | 90% | 0.898 | 78% | 0.775 | S | S | * | * | | | | -171.6 | 143.8 | 122.6 | -92.9 | -35.5 | 0 | 0 | 0 | 112.3 | | |
| 306 | G | 29.6 | Very low | 29.4 | Very low | 64 Ų | 64 | 140.6 Ų | 140.6 | 66% | 0.66 | 76% | 0.764 | S | S | * | * | | | trans | -100.1 | -162.7 | 154 | 0 | 0 | 0 | 0 | 0 | 109.9 | | |
| 307 | I | 31.9 | Very low | 29.9 | Very low | 155 Ų | 155 | 141.4 Ų | 141.4 | 80% | 0.795 | 76% | 0.761 | S | S | * | * | | | cis | -162.9 | 157.4 | 4 | -133.7 | 160.8 | 0 | 0 | 0 | 108.9 | | |
| 308 | T | 31.2 | Very low | 30.1 | Very low | 129 Ų | 129 | 142 Ų | 142 | 79% | 0.791 | 77% | 0.766 | S | S | * | * | | | trans | 53.7 | 129.3 | 168 | 50.3 | 0 | 0 | 0 | 0 | 121.1 | | |
| 309 | D | 26.5 | Very low | 30.2 | Very low | 151 Ų | 151 | 139 Ų | 139 | 81% | 0.807 | 77% | 0.766 | S | S | * | * | | | trans | -82.4 | 138.9 | 145.7 | 168.4 | 30.8 | 0 | 0 | 0 | 109 | | |
| 310 | E | 31.3 | Very low | 30.4 | Very low | 194 Ų | 194 | 141.5 Ų | 141.5 | 91% | 0.907 | 77% | 0.774 | S | S | * | * | | | trans | -172.6 | 127.2 | 145.8 | -87.2 | -140.5 | -135.7 | 0 | 0 | 110.1 | | |
| 311 | G | 28.7 | Very low | 30.5 | Very low | 76 Ų | 76 | 141.1 Ų | 141.1 | 78% | 0.784 | 77% | 0.772 | S | S | * | * | | | trans | 101.4 | 123.5 | 160.4 | 0 | 0 | 0 | 0 | 0 | 118.2 | | |
| 312 | K | 33.7 | Very low | 30.6 | Very low | 208 Ų | 208 | 144 Ų | 144 | 90% | 0.904 | 78% | 0.779 | S | S | * | * | | | trans | -84 | 157.5 | 169.4 | -61.4 | 175.5 | 177.2 | 178.3 | 0 | 111.5 | | |
| 313 | E | 25.6 | Very low | 30.4 | Very low | 169 Ų | 169 | 143.4 Ų | 143.4 | 79% | 0.79 | 78% | 0.781 | S | S | * | * | | | trans | -153.6 | 148.9 | 132.2 | -128.8 | -158.9 | 149 | 0 | 0 | 116.9 | | |
| 314 | I | 29.1 | Very low | 30.4 | Very low | 145 Ų | 145 | 142.1 Ų | 142.1 | 74% | 0.744 | 77% | 0.773 | S | S | * | * | | | trans | 38.7 | 103.2 | 163.6 | 51.6 | 168.7 | 0 | 0 | 0 | 123.4 | | |
| 315 | N | 29.6 | Very low | 30.5 | Very low | 152 Ų | 152 | 142.5 Ų | 142.5 | 81% | 0.813 | 77% | 0.771 | S | S | * | * | | | | -148.3 | 159 | 115.7 | 76.5 | -30.1 | 0 | 0 | 0 | 109.5 | | |
| 316 | E | 28.6 | Very low | 30.5 | Very low | 142 Ų | 142 | 141.8 Ų | 141.8 | 66% | 0.664 | 76% | 0.762 | S | S | * | * | | | cis | -151.1 | 177.6 | -16.9 | -137.1 | -150.2 | 144.4 | 0 | 0 | 111.2 | | |
| 317 | K | 33.7 | Very low | 30.5 | Very low | 153 Ų | 153 | 144.3 Ų | 144.3 | 67% | 0.665 | 76% | 0.76 | S | S | * | * | | | trans | 41 | 109.9 | 158.9 | -73.2 | 179.4 | -179.2 | 81.5 | 0 | 121.5 | | |
| 318 | S | 30.6 | Very low | 30.6 | Very low | 105 Ų | 105 | 144 Ų | 144 | 73% | 0.734 | 76% | 0.755 | S | S | * | * | | | | 94.4 | 126.8 | 122.1 | 73.9 | 0 | 0 | 0 | 0 | 122.1 | | |
| 319 | S | 32.1 | Very low | 30.5 | Very low | 103 Ų | 103 | 143 Ų | 143 | 72% | 0.72 | 75% | 0.745 | S | S | * | * | | | trans | 66.9 | 142.9 | 158.6 | 17.1 | 0 | 0 | 0 | 0 | 118.1 | | |
| 320 | Q | 32.6 | Very low | 30.8 | Very low | 171 Ų | 171 | 142 Ų | 142 | 80% | 0.799 | 75% | 0.745 | S | S | * | * | | | cis | -159.3 | 145.4 | -0.5 | -123.1 | 168.8 | 14.9 | 0 | 0 | 112.1 | | |
| 321 | L | 31.4 | Very low | 30.8 | Very low | 139 Ų | 139 | 137.3 Ų | 137.3 | 73% | 0.728 | 73% | 0.732 | S | S | * | * | | | trans | 74.7 | 126.3 | 151.1 | -64.9 | 173 | 0 | 0 | 0 | 123.8 | | |
| 322 | K | 30.6 | Very low | 31.1 | Very low | 179 Ų | 179 | 140.4 Ų | 140.4 | 78% | 0.778 | 73% | 0.73 | S | S | * | * | | | trans | 84.1 | 87.4 | 142.5 | -69.2 | 172.1 | -179.3 | 179.3 | 0 | 121.5 | | |
| 323 | N | 29.3 | Very low | 31.1 | Very low | 149 Ų | 149 | 137.1 Ų | 137.1 | 80% | 0.797 | 72% | 0.718 | S | S | * | * | | | | 16.9 | 141.5 | 119.2 | -52.5 | -18.7 | 0 | 0 | 0 | 118.4 | | |
| 324 | L | 29 | Very low | 31.4 | Very low | 152 Ų | 152 | 136 Ų | 136 | 80% | 0.796 | 71% | 0.712 | S | S | * | * | | | | -159.4 | 156.4 | 60.3 | -84.1 | 163.8 | 0 | 0 | 0 | 113.2 | | |
| 325 | S | 34.2 | Very low | 31.4 | Very low | 88 Ų | 88 | 135.1 Ų | 135.1 | 62% | 0.615 | 71% | 0.709 | S | S | * | * | | | trans | 45.5 | 141.9 | 143.6 | -64.5 | 0 | 0 | 0 | 0 | 120.8 | | |
| 326 | E | 31.7 | Very low | 31.3 | Very low | 154 Ų | 154 | 134.7 Ų | 134.7 | 72% | 0.72 | 71% | 0.706 | S | S | * | * | | | cis | -176.7 | 176.8 | 6.4 | -117.3 | 161.5 | 68.2 | 0 | 0 | 107.9 | | |
| 327 | L | 29.6 | Very low | 31.3 | Very low | 117 Ų | 117 | 133 Ų | 133 | 61% | 0.613 | 71% | 0.709 | S | S | * | * | | | cis | -149.7 | 147.7 | 1.5 | -103.3 | 178.9 | 0 | 0 | 0 | 106.7 | | |
| 328 | Q | 33.3 | Very low | 31.1 | Very low | 148 Ų | 148 | 134.3 Ų | 134.3 | 69% | 0.692 | 72% | 0.718 | S | S | * | * | | | trans | 57.1 | 153.7 | 139.7 | -62.6 | -172.8 | -59.1 | 0 | 0 | 122.5 | | |
| 329 | D | 30.5 | Very low | 30.9 | Very low | 108 Ų | 108 | 139.2 Ų | 139.2 | 58% | 0.578 | 72% | 0.72 | S | S | * | * | | | cis | -164.1 | 133.3 | -18.2 | -109.6 | -19.5 | 0 | 0 | 0 | 112.1 | | |
| 330 | T | 31.7 | Very low | 30.6 | Very low | 130 Ų | 130 | 142 Ų | 142 | 80% | 0.798 | 72% | 0.722 | S | S | * | * | | | trans | 62.7 | 172.3 | 146.4 | 77.2 | 0 | 0 | 0 | 0 | 118.2 | | |
| 331 | C | 31 | Very low | 30.3 | Very low | 96 Ų | 96 | 139.5 Ų | 139.5 | 65% | 0.649 | 72% | 0.723 | S | S | * | * | | | cis | -151.4 | 144.6 | -5.9 | 109.3 | 0 | 0 | 0 | 0 | 110.7 | | |
| 332 | L | 36.2 | Very low | 30.1 | Very low | 140 Ų | 140 | 138.9 Ų | 138.9 | 73% | 0.733 | 73% | 0.725 | S | S | * | * | | | trans | 44.7 | 156.3 | 137.4 | -48.2 | -178.6 | 0 | 0 | 0 | 120.8 | | |
| 333 | Q | 32.2 | Very low | 30.5 | Very low | 140 Ų | 140 | 135.7 Ų | 135.7 | 65% | 0.654 | 72% | 0.723 | S | S | * | * | | | cis | -158.4 | 136.6 | -9.9 | -111 | 167.9 | -25.3 | 0 | 0 | 106.1 | | |
| 334 | Q | 31.8 | Very low | 30.4 | Very low | 144 Ų | 144 | 137.9 Ų | 137.9 | 67% | 0.673 | 73% | 0.728 | S | S | * | * | | | | 80.3 | 139.4 | 75 | -155.5 | -160.5 | -8.8 | 0 | 0 | 114.6 | | |
| 335 | L | 30.1 | Very low | 30.4 | Very low | 127 Ų | 127 | 137.7 Ų | 137.7 | 67% | 0.665 | 73% | 0.728 | S | S | * | * | | | trans | 94.9 | 104.5 | 160.9 | -53.3 | -178.8 | 0 | 0 | 0 | 121.8 | | |
| 336 | L | 26.6 | Very low | 30.2 | Very low | 143 Ų | 143 | 142.1 Ų | 142.1 | 75% | 0.749 | 74% | 0.736 | S | S | * | * | | | | 68.9 | 109.4 | 119.2 | -60.1 | -179.7 | 0 | 0 | 0 | 123.1 | | |
| 337 | S | 29.1 | Very low | 29.9 | Very low | 106 Ų | 106 | 142.4 Ų | 142.4 | 74% | 0.741 | 74% | 0.743 | S | S | * | * | | | | 83.2 | 150.4 | 111.5 | -61.8 | 0 | 0 | 0 | 0 | 124.1 | | |
| 338 | Q | 29.1 | Very low | 29.8 | Very low | 181 Ų | 181 | 141.7 Ų | 141.7 | 85% | 0.846 | 75% | 0.754 | S | S | * | * | | | trans | 97.3 | 77.8 | 140.8 | -145.8 | 162.3 | 39.5 | 0 | 0 | 121.1 | | |
| 339 | R | 26.4 | Very low | 29.6 | Very low | 209 Ų | 209 | 141 Ų | 141 | 79% | 0.789 | 76% | 0.759 | S | S | * | * | | | | 47.2 | 127.5 | 122.3 | -85.4 | -177.9 | 172 | -156.2 | 1.1 | 121.5 | | |
| 340 | H | 26.3 | Very low | 29.7 | Very low | 161 Ų | 161 | 141.1 Ų | 141.1 | 75% | 0.745 | 77% | 0.768 | S | S | * | * | | | trans | 104.3 | 147.7 | 135.8 | -65.2 | -30.1 | 0 | 0 | 0 | 120.8 | | |
| 341 | S | 25.6 | Very low | 29.5 | Very low | 119 Ų | 119 | 140.5 Ų | 140.5 | 83% | 0.832 | 76% | 0.764 | S | S | * | * | | | trans | 80.7 | 105.6 | 170.3 | -147.2 | 0 | 0 | 0 | 0 | 120.3 | | |
| 342 | T | 27.4 | Very low | 29.4 | Very low | 126 Ų | 126 | 145 Ų | 145 | 77% | 0.773 | 78% | 0.775 | S | S | * | * | | | trans | -65.1 | -176.5 | 148.7 | 29 | 0 | 0 | 0 | 0 | 112.3 | | |
| 343 | P | 40 | Very low | 29.3 | Very low | 111 Ų | 111 | 142.8 Ų | 142.8 | 72% | 0.721 | 77% | 0.772 | S | S | * | * | | | cis | -130.1 | 168.3 | -11.4 | 35.3 | -19.3 | 0 | 0 | 0 | 114.9 | | |
| 344 | Q | 26.4 | Very low | 29.7 | Very low | 196 Ų | 196 | 143.7 Ų | 143.7 | 92% | 0.916 | 78% | 0.781 | S | S | * | * | | | trans | -157.5 | -175.4 | 137.4 | -120.8 | -175.4 | 44.1 | 0 | 0 | 114.7 | | |
| 345 | N | 28.8 | Very low | 29.9 | Very low | 147 Ų | 147 | 144.5 Ų | 144.5 | 79% | 0.786 | 79% | 0.789 | S | S | * | * | | | trans | -95.5 | 154.8 | -151.1 | -97.6 | -59.4 | 0 | 0 | 0 | 117.3 | | |
| 346 | K | 29.8 | Very low | 30.3 | Very low | 181 Ų | 181 | 144.9 Ų | 144.9 | 79% | 0.787 | 79% | 0.792 | S | S | * | * | | | trans | -48.8 | 136 | 171.2 | -53.2 | 167 | -176.9 | 179.5 | 0 | 113.1 | | |
| 347 | N | 26.6 | Very low | 31 | Very low | 161 Ų | 161 | 143.7 Ų | 143.7 | 86% | 0.861 | 80% | 0.796 | S | S | * | * | | | | 172.9 | 119 | 114.5 | -85.1 | -16.5 | 0 | 0 | 0 | 111 | | |
| 348 | A | 27.3 | Very low | 31.5 | Very low | 102 Ų | 102 | 145.7 Ų | 145.7 | 84% | 0.843 | 79% | 0.793 | S | S | * | * | | | trans | -143.3 | 131.6 | 165.7 | 0 | 0 | 0 | 0 | 0 | 109.1 | | |
| 349 | V | 29.6 | Very low | 32.2 | Very low | 132 Ų | 132 | 141.2 Ų | 141.2 | 80% | 0.8 | 79% | 0.787 | S | S | * | * | | | trans | -139.5 | 117.7 | 178.5 | 172.5 | 0 | 0 | 0 | 0 | 109.2 | V351 | V349-V351 HydrophobicContact CG1-CG2 3.87Š|
| 350 | S | 31.2 | Very low | 33 | Very low | 111 Ų | 111 | 136.8 Ų | 136.8 | 78% | 0.776 | 78% | 0.783 | S | S | * | * | | | trans | -146.6 | 124 | 156.2 | 44 | 0 | 0 | 0 | 0 | 105.1 | | |
| 351 | V | 28.7 | Very low | 33.8 | Very low | 118 Ų | 118 | 137 Ų | 137 | 72% | 0.715 | 79% | 0.786 | S | S | * | * | | | cis | 56.2 | 85 | 36.1 | -167.8 | 0 | 0 | 0 | 0 | 110.7 | V349 | V349-V351 HydrophobicContact CG1-CG2 3.87Š|
| 352 | H | 29 | Very low | 34.5 | Very low | 190 Ų | 190 | 139.4 Ų | 139.4 | 88% | 0.88 | 78% | 0.782 | S | S | * | * | | | trans | -119.2 | 109.1 | 151.7 | -142.9 | -62.8 | 0 | 0 | 0 | 107.8 | | |
| 353 | S | 34 | Very low | 35.3 | Very low | 93 Ų | 93 | 138.1 Ų | 138.1 | 65% | 0.65 | 78% | 0.778 | S | S | * | * | | | trans | -79.9 | 157.2 | 172.4 | 48.1 | 0 | 0 | 0 | 0 | 110.8 | | |
| 354 | N | 39.8 | Very low | 35.3 | Very low | 160 Ų | 160 | 140.9 Ų | 140.9 | 86% | 0.856 | 79% | 0.786 | S | S | * | * | | | trans | -60.2 | 147.5 | 175.5 | -58.9 | -69 | 0 | 0 | 0 | 112.4 | | |
| 355 | L | 37.1 | Very low | 35.9 | Very low | 160 Ų | 160 | 137.2 Ų | 137.2 | 84% | 0.838 | 78% | 0.777 | S | S | * | * | | | trans | -159.3 | 165.6 | 147.9 | -109.1 | 172.1 | 0 | 0 | 0 | 109.3 | | |
| 356 | N | 36.8 | Very low | 36.5 | Very low | 135 Ų | 135 | 138.9 Ų | 138.9 | 72% | 0.722 | 78% | 0.78 | S | S | * | * | | | trans | 74.8 | 49.4 | 168.9 | -52.2 | -9.1 | 0 | 0 | 0 | 118.4 | E358 | N356-E358 PolarHBondContact O-N 2.89Š|
| 357 | S | 42.2 | Very low | 36.8 | Very low | 119 Ų | 119 | 136.6 Ų | 136.6 | 83% | 0.832 | 78% | 0.782 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -82.6 | 28 | 163.4 | 65 | 0 | 0 | 0 | 0 | 113.9 | | |
| 358 | E | 39.7 | Very low | 37.1 | Very low | 147 Ų | 147 | 139.5 Ų | 139.5 | 69% | 0.687 | 79% | 0.787 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -108 | -21.1 | -170.9 | -162.7 | 174.5 | 160.2 | 0 | 0 | 113.4 | N356 V360 | N356-E358 PolarHBondContact O-N 2.89Å; E358-V360 VanDerWaalsContact C-N 3.3Å; E358-V360 PolarHBondContact O-N 2.96Å |
| 359 | A | 43.3 | Very low | 37.3 | Very low | 87 Ų | 87 | 139.3 Ų | 139.3 | 72% | 0.719 | 79% | 0.786 | S | S | * | * | G | 310 helix | trans | -72.4 | -17 | -176.8 | 0 | 0 | 0 | 0 | 0 | 114.7 | | |
| 360 | V | 44.4 | Very low | 37.3 | Very low | 117 Ų | 117 | 139.6 Ų | 139.6 | 71% | 0.709 | 79% | 0.787 | S | S | * | * | G | 310 helix | trans | -89.6 | -15.5 | -171.5 | -175.2 | 0 | 0 | 0 | 0 | 112.9 | E358 K362 | E358-V360 VanDerWaalsContact C-N 3.3Å; E358-V360 PolarHBondContact O-N 2.96Å; V360-K362 PolarHBondContact O-N 3.15Å |
| 361 | M | 41.9 | Very low | 37.3 | Very low | 164 Ų | 164 | 140.7 Ų | 140.7 | 81% | 0.808 | 79% | 0.789 | S | S | * | * | G | 310 helix | trans | -88.3 | 8.2 | -175.6 | -75.8 | -72.8 | -70.5 | 0 | 0 | 114.7 | | |
| 362 | K | 41.4 | Very low | 37.4 | Very low | 170 Ų | 170 | 143.8 Ų | 143.8 | 74% | 0.739 | 80% | 0.796 | S | S | * | * | G | 310 helix | trans | -117.6 | 8.5 | -174.8 | -67.2 | -172.1 | 177.4 | 179.9 | 0 | 115.4 | V360 | V360-K362 PolarHBondContact O-N 3.15Š|
| 363 | S | 42.7 | Very low | 37.6 | Very low | 100 Ų | 100 | 141.2 Ų | 141.2 | 70% | 0.699 | 79% | 0.793 | S | S | * | * | S | Bend | trans | -115.8 | 10.2 | -176.3 | 56.5 | 0 | 0 | 0 | 0 | 115.3 | | |
| 364 | L | 40.5 | Very low | 37.4 | Very low | 168 Ų | 168 | 140.4 Ų | 140.4 | 88% | 0.88 | 80% | 0.8 | S | S | * | * | S | Bend | trans | -130.8 | 41.5 | -177.4 | -160.9 | 68.1 | 0 | 0 | 0 | 113.1 | | |
| 365 | T | 39.9 | Very low | 36.8 | Very low | 119 Ų | 119 | 144.1 Ų | 144.1 | 73% | 0.73 | 80% | 0.802 | S | S | * | * | | | trans | -129.8 | 33.2 | -177.7 | 50.2 | 0 | 0 | 0 | 0 | 114 | | |
| 366 | Q | 41.1 | Very low | 36.4 | Very low | 182 Ų | 182 | 146.8 Ų | 146.8 | 85% | 0.85 | 80% | 0.801 | S | S | * | * | | | trans | -157.3 | 102 | 164.6 | -147 | 145 | 31.2 | 0 | 0 | 113.3 | | |
| 367 | T | 36.2 | Very low | 36.2 | Very low | 134 Ų | 134 | 147.4 Ų | 147.4 | 82% | 0.822 | 80% | 0.804 | S | S | * | * | | | trans | 166.6 | 63.4 | 149.4 | 32.1 | 0 | 0 | 0 | 0 | 112.6 | | |
| 368 | F | 32.1 | Very low | 35.7 | Very low | 222 Ų | 222 | 147.5 Ų | 147.5 | 97% | 0.974 | 80% | 0.795 | S | S | * | * | | | trans | -142.5 | 103.6 | 154.9 | -79.3 | -68.1 | 0 | 0 | 0 | 109.3 | | |
| 369 | A | 32.2 | Very low | 35.2 | Very low | 98 Ų | 98 | 149.8 Ų | 149.8 | 81% | 0.81 | 80% | 0.803 | S | S | * | * | | | trans | -118.4 | 145.3 | 170.3 | 0 | 0 | 0 | 0 | 0 | 109 | | |
| 370 | T | 29.8 | Very low | 34.5 | Very low | 137 Ų | 137 | 155.8 Ų | 155.8 | 84% | 0.84 | 81% | 0.813 | S | S | * | * | | | trans | -65.5 | 135.8 | -166.9 | -53 | 0 | 0 | 0 | 0 | 113.3 | | |
| 371 | V | 30.1 | Very low | 33.9 | Very low | 135 Ų | 135 | 159.8 Ų | 159.8 | 82% | 0.818 | 82% | 0.821 | S | S | * | * | | | trans | -84 | 110.1 | 164.2 | 175.6 | 0 | 0 | 0 | 0 | 108.5 | | |
| 372 | E | 31.1 | Very low | 33.3 | Very low | 183 Ų | 183 | 157.4 Ų | 157.4 | 86% | 0.855 | 82% | 0.82 | S | S | * | * | | | trans | -100.6 | 144.3 | 174.6 | -169.2 | 166.5 | -141.2 | 0 | 0 | 111.1 | G374 | E372-G374 PolarHBondContact O-N 2.99Š|
| 373 | V | 34.1 | Very low | 33.4 | Very low | 136 Ų | 136 | 155.2 Ų | 155.2 | 82% | 0.824 | 82% | 0.823 | S | S | * | * | | | trans | -96.6 | 98.5 | -167.6 | -177.9 | 0 | 0 | 0 | 0 | 111.4 | R375 | V373-R375 PolarHBondContact O-N 3.11Š|
| 374 | G | 29.3 | Very low | 32.7 | Very low | 76 Ų | 76 | 158.1 Ų | 158.1 | 78% | 0.784 | 83% | 0.829 | S | S | * | * | P | Polyproline II helix | trans | -68.7 | 122 | 176.4 | 0 | 0 | 0 | 0 | 0 | 113.6 | E372 | E372-G374 PolarHBondContact O-N 2.99Š|
| 375 | R | 26.7 | Very low | 32.3 | Very low | 237 Ų | 237 | 160 Ų | 160 | 89% | 0.894 | 83% | 0.83 | S | S | * | * | P | Polyproline II helix | trans | -83.7 | 130.9 | 172.9 | 177.1 | -174.5 | -75.4 | -120.1 | 2.6 | 110.9 | V373 | V373-R375 PolarHBondContact O-N 3.11Š|
| 376 | W | 29.6 | Very low | 31.7 | Very low | 217 Ų | 217 | 159 Ų | 159 | 82% | 0.822 | 84% | 0.835 | S | S | * | * | P | Polyproline II helix | trans | -72.6 | 140 | 177.2 | -165.6 | -70.6 | 0 | 0 | 0 | 112.9 | | |
| 377 | N | 31.2 | Very low | 31.5 | Very low | 147 Ų | 147 | 156 Ų | 156 | 79% | 0.786 | 83% | 0.833 | S | S | * | * | | | trans | -170.3 | 160.6 | 156.5 | -103.2 | -25.2 | 0 | 0 | 0 | 112.4 | | |
| 378 | D | 31.7 | Very low | 31.3 | Very low | 122 Ų | 122 | 157.1 Ų | 157.1 | 65% | 0.652 | 83% | 0.834 | S | S | * | * | | | trans | -97.5 | 172.5 | -160.2 | -58.4 | -54.6 | 0 | 0 | 0 | 117.8 | | |
| 379 | K | 29.3 | Very low | 31.3 | Very low | 195 Ų | 195 | 154.8 Ų | 154.8 | 85% | 0.848 | 83% | 0.831 | S | S | * | * | | | trans | 74.1 | 109.7 | 156.9 | -67.1 | 167.9 | -178.8 | 166.2 | 0 | 119 | | |
| 380 | K | 28.9 | Very low | 31.3 | Very low | 213 Ų | 213 | 155.7 Ų | 155.7 | 93% | 0.926 | 83% | 0.827 | S | S | * | * | | | | -163.2 | 169.4 | 109 | -106.8 | 165 | -175.7 | 176.3 | 0 | 113 | | |
| 381 | K | 31.6 | Very low | 31.3 | Very low | 200 Ų | 200 | 156.2 Ų | 156.2 | 87% | 0.87 | 82% | 0.82 | S | S | * | * | | | trans | -108.9 | 178.3 | -178.4 | -66.5 | -178.3 | 175.7 | -179.3 | 0 | 111.3 | | |
| 382 | S | 30.5 | Very low | 31.3 | Very low | 114 Ų | 114 | 158.8 Ų | 158.8 | 80% | 0.797 | 82% | 0.82 | S | S | * | * | | | trans | 105.3 | 163.1 | 160.3 | 83.5 | 0 | 0 | 0 | 0 | 115.6 | | |
| 383 | P | 42.6 | Very low | 31.2 | Very low | 124 Ų | 124 | 153.7 Ų | 153.7 | 81% | 0.805 | 82% | 0.817 | S | S | * | * | | | | -135.1 | -174.4 | -84 | 38.6 | -20.3 | 0 | 0 | 0 | 115.6 | | |
| 384 | I | 29.2 | Very low | 31 | Very low | 162 Ų | 162 | 154.5 Ų | 154.5 | 83% | 0.831 | 82% | 0.816 | S | S | * | * | | | trans | -81.8 | 136.4 | -175.8 | -51.6 | 156.1 | 0 | 0 | 0 | 112.2 | | |
| 385 | K | 30.6 | Very low | 31.1 | Very low | 207 Ų | 207 | 156.7 Ų | 156.7 | 90% | 0.9 | 82% | 0.818 | S | S | * | * | | | | 179.6 | 162 | 125.9 | -99.5 | 173.7 | -178.2 | -175.6 | 0 | 114 | | |
| 386 | A | 29 | Very low | 31.3 | Very low | 99 Ų | 99 | 149.5 Ų | 149.5 | 82% | 0.818 | 82% | 0.818 | S | S | * | * | | | trans | -115.6 | 170.3 | -167.7 | 0 | 0 | 0 | 0 | 0 | 113.5 | | |
| 387 | S | 36.6 | Very low | 31.5 | Very low | 117 Ų | 117 | 142.7 Ų | 142.7 | 82% | 0.818 | 82% | 0.815 | S | S | * | * | | | trans | -163.7 | 135.9 | 152.3 | 52.7 | 0 | 0 | 0 | 0 | 111.2 | | |
| 388 | D | 31.5 | Very low | 31.7 | Very low | 158 Ų | 158 | 140.7 Ų | 140.7 | 85% | 0.845 | 81% | 0.813 | S | S | * | * | | | trans | -82.3 | 149.9 | 172 | -55.6 | -79.7 | 0 | 0 | 0 | 112.5 | | |
| 389 | L | 32.3 | Very low | 31.9 | Very low | 174 Ų | 174 | 141 Ų | 141 | 91% | 0.911 | 82% | 0.815 | S | S | * | * | | | trans | -168.7 | 170.7 | 136.2 | -111.1 | 155.6 | 0 | 0 | 0 | 111.9 | | |
| 390 | T | 31.2 | Very low | 32.3 | Very low | 116 Ų | 116 | 138.3 Ų | 138.3 | 71% | 0.712 | 81% | 0.809 | S | S | * | * | | | trans | -114.4 | 168.8 | -156.1 | -20.1 | 0 | 0 | 0 | 0 | 114.3 | | |
| 391 | E | 30.7 | Very low | 32.6 | Very low | 149 Ų | 149 | 135.2 Ų | 135.2 | 70% | 0.696 | 80% | 0.798 | S | S | * | * | | | trans | 93.1 | 132.9 | 144.8 | -87.7 | 180 | 164.2 | 0 | 0 | 122.5 | | |
| 392 | F | 29.2 | Very low | 32.8 | Very low | 188 Ų | 188 | 133.5 Ų | 133.5 | 83% | 0.825 | 79% | 0.793 | S | S | * | * | | | trans | 53.5 | 136.5 | 158.3 | -54.3 | -59.5 | 0 | 0 | 0 | 123.1 | | |
| 393 | G | 29.9 | Very low | 32.7 | Very low | 77 Ų | 77 | 135 Ų | 135 | 79% | 0.794 | 79% | 0.788 | S | S | * | * | | | trans | 148.3 | 96.6 | 148.4 | 0 | 0 | 0 | 0 | 0 | 118.5 | | |
| 394 | D | 28.7 | Very low | 32.1 | Very low | 152 Ų | 152 | 134.6 Ų | 134.6 | 81% | 0.813 | 79% | 0.788 | S | S | * | * | | | trans | 20.4 | 122.3 | 151.1 | -78 | 14.4 | 0 | 0 | 0 | 124.3 | | |
| 395 | C | 33.1 | Very low | 31.9 | Very low | 122 Ų | 122 | 131.6 Ų | 131.6 | 82% | 0.824 | 78% | 0.777 | S | S | * | * | | | | 52.5 | 112.7 | 119.9 | -61.7 | 0 | 0 | 0 | 0 | 123.6 | | |
| 396 | G | 30.7 | Very low | 31.9 | Very low | 86 Ų | 86 | 127.5 Ų | 127.5 | 89% | 0.887 | 77% | 0.769 | S | S | * | * | | | trans | 92.3 | 134.1 | 140.4 | 0 | 0 | 0 | 0 | 0 | 117.1 | | |
| 397 | G | 32.3 | Very low | 31.9 | Very low | 74 Ų | 74 | 129.7 Ų | 129.7 | 76% | 0.763 | 77% | 0.766 | S | S | * | * | | | cis | 123 | 104.8 | -13.3 | 0 | 0 | 0 | 0 | 0 | 115.2 | | |
| 398 | S | 35.6 | Very low | 31.4 | Very low | 105 Ų | 105 | 128.9 Ų | 128.9 | 73% | 0.734 | 76% | 0.76 | S | S | * | * | | | trans | 71.6 | 137.5 | 160 | -168.8 | 0 | 0 | 0 | 0 | 118.2 | | |
| 399 | D | 37.1 | Very low | 31.3 | Very low | 129 Ų | 129 | 127.7 Ų | 127.7 | 69% | 0.69 | 76% | 0.758 | S | S | * | * | | | cis | -166.9 | 179.1 | -21.2 | -92.8 | -37 | 0 | 0 | 0 | 108.7 | | |
| 400 | D | 37.7 | Very low | 31.2 | Very low | 138 Ų | 138 | 124.5 Ų | 124.5 | 74% | 0.738 | 75% | 0.751 | S | S | * | * | | | trans | 84.4 | 122.7 | 135.6 | -81.4 | 3.8 | 0 | 0 | 0 | 125.4 | | |
| 401 | E | 35.7 | Very low | 31.4 | Very low | 149 Ų | 149 | 127.6 Ų | 127.6 | 70% | 0.696 | 76% | 0.757 | S | S | * | * | | | trans | 90.5 | 107.1 | 130.2 | -61.8 | -69.7 | 82.6 | 0 | 0 | 124.2 | | |
| 402 | E | 34.6 | Very low | 31.7 | Very low | 163 Ų | 163 | 127 Ų | 127 | 76% | 0.762 | 76% | 0.758 | S | S | * | * | | | | 83.1 | 156.5 | 117 | -79.2 | -67 | 162.2 | 0 | 0 | 126.7 | | |
| 403 | E | 28.1 | Very low | 32 | Very low | 145 Ų | 145 | 125.2 Ų | 125.2 | 68% | 0.678 | 76% | 0.755 | S | S | * | * | | | trans | 74.5 | 104.2 | 157.2 | -155.1 | 169.6 | -167.7 | 0 | 0 | 123.3 | T405 | E403-T405 WeakPolarHBondContact CG-OG1 3.31Å; E403-T405 PolarHBondContact OE1-OG1 2.9Å |
| 404 | S | 30.5 | Very low | 32.2 | Very low | 116 Ų | 116 | 128.6 Ų | 128.6 | 81% | 0.811 | 75% | 0.754 | S | S | * | * | | | trans | -168.8 | 127.1 | 130.5 | 34.2 | 0 | 0 | 0 | 0 | 108.1 | | |
| 405 | T | 25.9 | Very low | 32.5 | Very low | 99 Ų | 99 | 127.2 Ų | 127.2 | 61% | 0.607 | 76% | 0.757 | S | S | * | * | | | cis | 69.4 | 107.9 | 26.9 | -36.8 | 0 | 0 | 0 | 0 | 112.8 | E403 | E403-T405 WeakPolarHBondContact CG-OG1 3.31Å; E403-T405 PolarHBondContact OE1-OG1 2.9Å |
| 406 | V | 28.8 | Very low | 32.3 | Very low | 121 Ų | 121 | 131.1 Ų | 131.1 | 73% | 0.733 | 76% | 0.763 | S | S | * | * | | | | 160.1 | 113.8 | 126.5 | 160.6 | 0 | 0 | 0 | 0 | 114.6 | | |
| 407 | I | 30 | Very low | 32.3 | Very low | 145 Ų | 145 | 130.7 Ų | 130.7 | 74% | 0.744 | 76% | 0.759 | S | S | * | * | | | trans | 60.3 | 113.5 | 133.1 | -57.6 | -178.3 | 0 | 0 | 0 | 123.5 | | |
| 408 | S | 26.5 | Very low | 32.2 | Very low | 100 Ų | 100 | 134.5 Ų | 134.5 | 70% | 0.699 | 76% | 0.762 | S | S | * | * | | | | 48.8 | 125.8 | 123.1 | -43.4 | 0 | 0 | 0 | 0 | 127 | | |
| 409 | V | 28.3 | Very low | 32.1 | Very low | 134 Ų | 134 | 135.9 Ų | 135.9 | 81% | 0.812 | 77% | 0.765 | S | S | * | * | | | | 42.3 | 117.2 | 119.3 | -171.6 | 0 | 0 | 0 | 0 | 122.1 | | |
| 410 | S | 31.3 | Very low | 31.8 | Very low | 107 Ų | 107 | 135.7 Ų | 135.7 | 75% | 0.748 | 76% | 0.764 | S | S | * | * | | | trans | -174.8 | 118 | 134 | 44.5 | 0 | 0 | 0 | 0 | 108.8 | | |
| 411 | E | 35.8 | Very low | 31.5 | Very low | 180 Ų | 180 | 137.4 Ų | 137.4 | 84% | 0.841 | 77% | 0.765 | S | S | * | * | | | | 85.7 | 116.3 | 85.3 | -75.5 | -174.5 | 172.6 | 0 | 0 | 116.2 | | |
| 412 | D | 35.6 | Very low | 31.2 | Very low | 136 Ų | 136 | 138.1 Ų | 138.1 | 73% | 0.727 | 77% | 0.769 | S | S | * | * | | | trans | 53.9 | 117.6 | 143.3 | -75.4 | 24 | 0 | 0 | 0 | 124.8 | | |
| 413 | M | 35.1 | Very low | 30.9 | Very low | 152 Ų | 152 | 135.5 Ų | 135.5 | 75% | 0.749 | 77% | 0.767 | S | S | * | * | | | | 178.2 | 170.9 | 105.2 | -96.4 | -62.2 | 113 | 0 | 0 | 114.6 | | |
| 414 | N | 34.7 | Very low | 30.8 | Very low | 147 Ų | 147 | 135.5 Ų | 135.5 | 79% | 0.786 | 77% | 0.772 | S | S | * | * | | | trans | -110.2 | 152.6 | -171.7 | -49.7 | -81.8 | 0 | 0 | 0 | 114.4 | | |
| 415 | S | 34.6 | Very low | 30.9 | Very low | 124 Ų | 124 | 136.8 Ų | 136.8 | 87% | 0.867 | 78% | 0.775 | S | S | * | * | | | trans | -165.8 | 158.4 | 146.3 | 54.8 | 0 | 0 | 0 | 0 | 113 | | |
| 416 | E | 30.5 | Very low | 31.1 | Very low | 204 Ų | 204 | 142.3 Ų | 142.3 | 95% | 0.953 | 79% | 0.785 | S | S | * | * | | | trans | -98.1 | 166 | -175.5 | -60.5 | 163.2 | 102.8 | 0 | 0 | 113.6 | | |
| 417 | G | 30.4 | Very low | 31.1 | Very low | 77 Ų | 77 | 144 Ų | 144 | 79% | 0.794 | 79% | 0.789 | S | S | * | * | | | trans | 176.1 | 114.3 | 166 | 0 | 0 | 0 | 0 | 0 | 114.8 | | |
| 418 | N | 29.3 | Very low | 30.8 | Very low | 154 Ų | 154 | 147.5 Ų | 147.5 | 82% | 0.824 | 79% | 0.794 | S | S | * | * | | | trans | -112.2 | 139.5 | 172.7 | -70.9 | -66.2 | 0 | 0 | 0 | 111.3 | | |
| 419 | V | 33.4 | Very low | 31 | Very low | 134 Ų | 134 | 148.7 Ų | 148.7 | 81% | 0.812 | 80% | 0.797 | S | S | * | * | | | trans | -174 | 140.3 | 138.2 | -92.3 | 0 | 0 | 0 | 0 | 106.3 | | |
| 420 | D | 31.1 | Very low | 30.9 | Very low | 125 Ų | 125 | 147.6 Ų | 147.6 | 67% | 0.668 | 80% | 0.796 | S | S | * | * | | | cis | 122.8 | 153.7 | 8.5 | -86.6 | -44.4 | 0 | 0 | 0 | 110.4 | | |
| 421 | F | 30.5 | Very low | 30.6 | Very low | 173 Ų | 173 | 147 Ų | 147 | 76% | 0.759 | 80% | 0.797 | S | S | * | * | | | trans | 72 | 142.9 | 172.1 | -59.6 | -70.9 | 0 | 0 | 0 | 117.8 | | |
| 422 | E | 29.6 | Very low | 31.2 | Very low | 164 Ų | 164 | 143.2 Ų | 143.2 | 77% | 0.766 | 79% | 0.788 | S | S | * | * | | | cis | -163.6 | -166.2 | -21.6 | -145.5 | 179.9 | 165.7 | 0 | 0 | 110.4 | | |
| 423 | C | 29.1 | Very low | 30.8 | Very low | 109 Ų | 109 | 143.2 Ų | 143.2 | 74% | 0.736 | 79% | 0.788 | S | S | * | * | | | trans | 78.1 | 89.8 | 161.1 | -61.8 | 0 | 0 | 0 | 0 | 119.8 | | |
| 424 | D | 26.5 | Very low | 30.4 | Very low | 145 Ų | 145 | 143 Ų | 143 | 78% | 0.775 | 79% | 0.788 | S | S | * | * | | | | 18.3 | 135.1 | 124 | -79.8 | -47.7 | 0 | 0 | 0 | 120.8 | | |
| 425 | T | 32.3 | Very low | 30.4 | Very low | 142 Ų | 142 | 141.8 Ų | 141.8 | 87% | 0.871 | 79% | 0.792 | S | S | * | * | | | | -162.5 | 155 | 107.7 | -75.5 | 0 | 0 | 0 | 0 | 110.3 | | |
| 426 | R | 29.3 | Very low | 30.3 | Very low | 216 Ų | 216 | 145 Ų | 145 | 82% | 0.815 | 79% | 0.793 | S | S | * | * | | | trans | -94.3 | 143.9 | -167.9 | -64 | 179.7 | -179.3 | 170 | 1.9 | 115.1 | | |
| 427 | L | 29.3 | Very low | 30.1 | Very low | 155 Ų | 155 | 139.2 Ų | 139.2 | 81% | 0.812 | 79% | 0.788 | S | S | * | * | | | trans | 23.6 | 124.4 | 137.2 | -57 | 172.2 | 0 | 0 | 0 | 119.2 | | |
| 428 | Y | 23.5 | Very low | 30.4 | Very low | 219 Ų | 219 | 144.5 Ų | 144.5 | 86% | 0.859 | 79% | 0.789 | S | S | * | * | | | trans | -149.6 | 154.9 | 130.9 | -143.8 | -101.3 | 0 | 0 | 0 | 113.1 | | |
| 429 | T | 30 | Very low | 30.7 | Very low | 125 Ų | 125 | 143 Ų | 143 | 77% | 0.767 | 78% | 0.781 | S | S | * | * | | | trans | -125.5 | 126.4 | 179.2 | 49.4 | 0 | 0 | 0 | 0 | 110.3 | | |
| 430 | S | 26.2 | Very low | 30.7 | Very low | 112 Ų | 112 | 143.6 Ų | 143.6 | 78% | 0.783 | 78% | 0.78 | S | S | * | * | | | trans | -162.4 | 130.6 | 171.5 | 55.2 | 0 | 0 | 0 | 0 | 114 | | |
| 431 | A | 26.9 | Very low | 30.9 | Very low | 93 Ų | 93 | 142.7 Ų | 142.7 | 77% | 0.769 | 78% | 0.783 | S | S | * | * | | | trans | -109.8 | -175.8 | 144.6 | 0 | 0 | 0 | 0 | 0 | 107 | | |
| 432 | P | 46.4 | Very low | 31.2 | Very low | 102 Ų | 102 | 141.1 Ų | 141.1 | 66% | 0.662 | 79% | 0.787 | S | S | * | * | | | cis | -130.2 | -164 | -11 | 25.5 | -0.7 | 0 | 0 | 0 | 112.2 | | |
| 433 | N | 28.4 | Very low | 31.5 | Very low | 135 Ų | 135 | 140 Ų | 140 | 72% | 0.722 | 79% | 0.786 | S | S | * | * | | | trans | 129.1 | 134.1 | 132 | -74.9 | -32.9 | 0 | 0 | 0 | 121.5 | | |
| 434 | I | 27.5 | Very low | 31.7 | Very low | 147 Ų | 147 | 143.4 Ų | 143.4 | 75% | 0.754 | 80% | 0.796 | S | S | * | * | | | trans | 71.6 | 118.5 | 142.4 | -64 | 161.9 | 0 | 0 | 0 | 121.3 | | |
| 435 | S | 33.3 | Very low | 31.9 | Very low | 122 Ų | 122 | 141.9 Ų | 141.9 | 85% | 0.853 | 79% | 0.792 | S | S | * | * | | | | -148 | 163.1 | 125.6 | 63.1 | 0 | 0 | 0 | 0 | 109.5 | | |
| 436 | Q | 32.2 | Very low | 32.1 | Very low | 193 Ų | 193 | 143.1 Ų | 143.1 | 90% | 0.902 | 79% | 0.792 | S | S | * | * | | | trans | -108.6 | 152.1 | -163.2 | -65.2 | 178.2 | -35.4 | 0 | 0 | 114.5 | | |
| 437 | G | 28.1 | Very low | 32.4 | Very low | 82 Ų | 82 | 137.5 Ų | 137.5 | 85% | 0.845 | 79% | 0.786 | S | S | * | * | | | trans | -163.4 | 91.8 | 177 | 0 | 0 | 0 | 0 | 0 | 114.9 | | |
| 438 | K | 36.3 | Very low | 32.5 | Very low | 187 Ų | 187 | 135.8 Ų | 135.8 | 81% | 0.813 | 79% | 0.787 | S | S | * | * | | | trans | -56.8 | 158.6 | 171.4 | -78.5 | -173.9 | 175.1 | -172.4 | 0 | 114.6 | | |
| 439 | D | 34.1 | Very low | 33.3 | Very low | 122 Ų | 122 | 132.4 Ų | 132.4 | 65% | 0.652 | 78% | 0.784 | S | S | * | * | | | cis | -156.9 | 172.6 | 5.6 | -91.9 | -31.4 | 0 | 0 | 0 | 111.1 | | |
| 440 | N | 34.5 | Very low | 33.9 | Very low | 147 Ų | 147 | 134 Ų | 134 | 79% | 0.786 | 78% | 0.782 | S | S | * | * | | | trans | 69.5 | 106.1 | 159.8 | -62.5 | -21.4 | 0 | 0 | 0 | 119.7 | | |
| 441 | S | 35.2 | Very low | 34.4 | Very low | 107 Ų | 107 | 133.3 Ų | 133.3 | 75% | 0.748 | 78% | 0.778 | S | S | * | * | | | | 83.3 | 138 | 83 | 80.2 | 0 | 0 | 0 | 0 | 114.5 | | |
| 442 | V | 35.9 | Very low | 34.9 | Very low | 139 Ų | 139 | 135.3 Ų | 135.3 | 84% | 0.842 | 77% | 0.771 | S | S | * | * | | | cis | -139.5 | 161.6 | 18.9 | 175.1 | 0 | 0 | 0 | 0 | 111.2 | | |
| 443 | L | 36.4 | Very low | 34.4 | Very low | 141 Ų | 141 | 139.2 Ų | 139.2 | 74% | 0.738 | 78% | 0.781 | S | S | * | * | | | trans | -67.1 | 151.6 | 176.8 | -72.1 | 150.6 | 0 | 0 | 0 | 115.5 | V445 | L443-V445 HydrophobicContact CD2-CG2 4.27Š|
| 444 | L | 34.2 | Very low | 34.6 | Very low | 181 Ų | 181 | 138.5 Ų | 138.5 | 95% | 0.948 | 79% | 0.786 | S | S | * | * | | | trans | -133.3 | 148.5 | 132.2 | -86.5 | -178.7 | 0 | 0 | 0 | 109.5 | | |
| 445 | V | 30.7 | Very low | 35.1 | Very low | 113 Ų | 113 | 140 Ų | 140 | 69% | 0.685 | 79% | 0.79 | S | S | * | * | | | trans | -119.8 | 135.3 | -169.7 | 171.2 | 0 | 0 | 0 | 0 | 110.1 | L443 | L443-V445 HydrophobicContact CD2-CG2 4.27Š|
| 446 | L | 36.1 | Very low | 35 | Very low | 167 Ų | 167 | 141.3 Ų | 141.3 | 87% | 0.874 | 79% | 0.787 | S | S | * | * | | | trans | -141.5 | 142.5 | 146.1 | -74.3 | -177.5 | 0 | 0 | 0 | 109.4 | | |
| 447 | S | 34.8 | Very low | 35.2 | Very low | 99 Ų | 99 | 136.6 Ų | 136.6 | 69% | 0.692 | 78% | 0.776 | S | S | * | * | | | trans | -41 | 142.1 | 176.3 | 39.7 | 0 | 0 | 0 | 0 | 115.1 | | |
| 448 | S | 32.9 | Very low | 35.5 | Very low | 119 Ų | 119 | 140.7 Ų | 140.7 | 83% | 0.832 | 77% | 0.773 | S | S | * | * | | | | 58.8 | 134 | 74.2 | -57.6 | 0 | 0 | 0 | 0 | 112.3 | | |
| 449 | D | 38.6 | Very low | 35.5 | Very low | 148 Ų | 148 | 137 Ų | 137 | 79% | 0.791 | 76% | 0.762 | S | S | * | * | | | cis | -142.9 | 167 | 46.2 | -170.3 | 32.5 | 0 | 0 | 0 | 116 | | |
| 450 | E | 42.9 | Very low | 35.9 | Very low | 158 Ų | 158 | 140.6 Ų | 140.6 | 74% | 0.738 | 78% | 0.775 | S | S | * | * | | | trans | -139.5 | 113.2 | 174 | -174.6 | -157.7 | 131.2 | 0 | 0 | 111.9 | | |
| 451 | S | 36.3 | Very low | 35.9 | Very low | 98 Ų | 98 | 141.4 Ų | 141.4 | 69% | 0.685 | 77% | 0.774 | S | S | * | * | | | trans | -155.4 | 135.1 | 157.7 | 46.8 | 0 | 0 | 0 | 0 | 108.8 | | |
| 452 | Q | 38.7 | Very low | 35.9 | Very low | 135 Ų | 135 | 144.4 Ų | 144.4 | 63% | 0.631 | 78% | 0.782 | S | S | * | * | | | cis | 92.1 | 106.1 | 39.4 | -66.6 | -71.6 | 0.6 | 0 | 0 | 114 | | |
| 453 | Q | 35.1 | Very low | 35.8 | Very low | 184 Ų | 184 | 143 Ų | 143 | 86% | 0.86 | 77% | 0.773 | S | S | * | * | | | trans | 38.7 | 124 | 151.4 | -61.8 | -177.4 | -21.1 | 0 | 0 | 121.6 | | |
| 454 | S | 32.9 | Very low | 35.7 | Very low | 120 Ų | 120 | 143 Ų | 143 | 84% | 0.839 | 77% | 0.773 | S | S | * | * | | | trans | -146.9 | 138.4 | 144 | 63.6 | 0 | 0 | 0 | 0 | 111 | | |
| 455 | E | 38.5 | Very low | 35.4 | Very low | 179 Ų | 179 | 140.4 Ų | 140.4 | 84% | 0.836 | 77% | 0.769 | S | S | * | * | | | trans | -92 | -164.2 | 165.5 | -62.2 | -174.2 | 124.6 | 0 | 0 | 109.9 | | |
| 456 | N | 30.6 | Very low | 35.4 | Very low | 148 Ų | 148 | 143.9 Ų | 143.9 | 79% | 0.791 | 78% | 0.776 | S | S | * | * | | | trans | 77.4 | 129 | -175.1 | -51.9 | 0.1 | 0 | 0 | 0 | 113.4 | | |
| 457 | S | 36.9 | Very low | 35.2 | Very low | 95 Ų | 95 | 142.8 Ų | 142.8 | 66% | 0.664 | 78% | 0.775 | S | S | * | * | | | cis | 88.9 | 152.2 | 27.6 | 84.4 | 0 | 0 | 0 | 0 | 114.8 | | |
| 458 | E | 33.7 | Very low | 35 | Very low | 168 Ų | 168 | 146 Ų | 146 | 79% | 0.785 | 78% | 0.779 | S | S | * | * | | | trans | 71.2 | 154.5 | -177.6 | -52.1 | -167.8 | 130.5 | 0 | 0 | 113.6 | | |
| 459 | N | 37.3 | Very low | 34.8 | Very low | 110 Ų | 110 | 148.1 Ų | 148.1 | 59% | 0.588 | 78% | 0.781 | S | S | * | * | | | | 175.6 | 147.6 | -51.9 | 53.9 | 26.8 | 0 | 0 | 0 | 104.6 | | |
| 460 | E | 42.3 | Very low | 34.4 | Very low | 197 Ų | 197 | 146.4 Ų | 146.4 | 92% | 0.921 | 78% | 0.781 | S | S | * | * | | | trans | -161.4 | 130.2 | 158.9 | 38.5 | -162.7 | 154.2 | 0 | 0 | 108.3 | | |
| 461 | E | 34.8 | Very low | 33.7 | Very low | 164 Ų | 164 | 142.6 Ų | 142.6 | 77% | 0.766 | 78% | 0.784 | S | S | * | * | | | trans | -134.8 | 100.3 | -163.7 | 49 | -173.4 | 99.2 | 0 | 0 | 110.3 | T463 | E461-T463 PolarHBondContact O-N 2.94Š|
| 462 | D | 33.8 | Very low | 33.4 | Very low | 170 Ų | 170 | 145.6 Ų | 145.6 | 91% | 0.909 | 79% | 0.787 | S | S | * | * | | | trans | -88.7 | 106 | -165.3 | -160.8 | 12.9 | 0 | 0 | 0 | 111.3 | | |
| 463 | T | 34.4 | Very low | 33 | Very low | 108 Ų | 108 | 148.2 Ų | 148.2 | 66% | 0.663 | 79% | 0.792 | S | S | * | * | | | trans | -148.6 | 146.1 | -175.5 | -41.8 | 0 | 0 | 0 | 0 | 112.4 | E461 | E461-T463 PolarHBondContact O-N 2.94Š|
| 464 | L | 33.6 | Very low | 32.5 | Very low | 141 Ų | 141 | 146.8 Ų | 146.8 | 74% | 0.738 | 79% | 0.785 | S | S | * | * | | | trans | 78.8 | 145.8 | 178.8 | -48.6 | -179.2 | 0 | 0 | 0 | 112.7 | | |
| 465 | C | 29 | Very low | 32.4 | Very low | 128 Ų | 128 | 145.9 Ų | 145.9 | 87% | 0.865 | 78% | 0.779 | S | S | * | * | | | cis | -113.8 | 148.2 | 31.9 | -65.3 | 0 | 0 | 0 | 0 | 117.1 | | |
| 466 | F | 29.9 | Very low | 31.9 | Very low | 186 Ų | 186 | 144.9 Ų | 144.9 | 82% | 0.816 | 78% | 0.778 | S | S | * | * | | | trans | -91.1 | 141.4 | 152.3 | -92.9 | -102.2 | 0 | 0 | 0 | 109.6 | | |
| 467 | V | 32.7 | Very low | 31.9 | Very low | 143 Ų | 143 | 143.3 Ų | 143.3 | 87% | 0.867 | 78% | 0.779 | S | S | * | * | | | trans | -136.2 | 136 | 140.7 | 176.4 | 0 | 0 | 0 | 0 | 107.8 | | |
| 468 | E | 30.1 | Very low | 31.4 | Very low | 167 Ų | 167 | 141.9 Ų | 141.9 | 78% | 0.78 | 78% | 0.779 | S | S | * | * | | | trans | -100.2 | 148.7 | -176 | 178.7 | 177.8 | -161.1 | 0 | 0 | 110.5 | | |
| 469 | N | 29.3 | Very low | 31.1 | Very low | 163 Ų | 163 | 141.5 Ų | 141.5 | 87% | 0.872 | 78% | 0.782 | S | S | * | * | | | trans | -151.9 | 146.5 | 159 | -121.5 | -33.2 | 0 | 0 | 0 | 112 | | |
| 470 | S | 30.2 | Very low | 30.6 | Very low | 113 Ų | 113 | 143 Ų | 143 | 79% | 0.79 | 80% | 0.796 | S | S | * | * | | | trans | -111.7 | 152.1 | -166.7 | 64.2 | 0 | 0 | 0 | 0 | 113 | | |
| 471 | G | 27 | Very low | 30.1 | Very low | 78 Ų | 78 | 142.4 Ų | 142.4 | 80% | 0.804 | 79% | 0.793 | S | S | * | * | | | trans | -160.4 | 151.5 | 179 | 0 | 0 | 0 | 0 | 0 | 111.8 | | |
| 472 | Q | 29.5 | Very low | 29.8 | Very low | 160 Ų | 160 | 140.3 Ų | 140.3 | 75% | 0.748 | 80% | 0.797 | S | S | * | * | | | trans | -120.6 | 152.9 | -172.9 | -75.6 | -168.1 | 8.4 | 0 | 0 | 113.1 | | |
| 473 | R | 30.7 | Very low | 29.8 | Very low | 191 Ų | 191 | 140.2 Ų | 140.2 | 72% | 0.721 | 80% | 0.795 | S | S | * | * | | | trans | 70.2 | 117.7 | 145.3 | -76.8 | 167.8 | -161.7 | -99.5 | 8.7 | 120.5 | | |
| 474 | E | 26.1 | Very low | 29.8 | Very low | 153 Ų | 153 | 140.4 Ų | 140.4 | 72% | 0.715 | 80% | 0.801 | S | S | * | * | | | | 62.1 | 105.4 | 108.5 | -163.4 | 174.9 | -160.8 | 0 | 0 | 119.2 | | |
| 475 | S | 29.6 | Very low | 29.8 | Very low | 102 Ų | 102 | 139.5 Ų | 139.5 | 71% | 0.713 | 81% | 0.805 | S | S | * | * | | | trans | 154 | 129 | 132.1 | -72.1 | 0 | 0 | 0 | 0 | 115.9 | | |
| 476 | L | 29.2 | Very low | 30.1 | Very low | 157 Ų | 157 | 140.8 Ų | 140.8 | 82% | 0.822 | 80% | 0.803 | S | S | * | * | | | trans | 63.7 | 144.4 | 139.5 | -61.8 | 170.5 | 0 | 0 | 0 | 123.5 | | |
| 477 | S | 29.8 | Very low | 30.5 | Very low | 116 Ų | 116 | 140.1 Ų | 140.1 | 81% | 0.811 | 81% | 0.808 | S | S | * | * | | | trans | 34.1 | 132.7 | 148 | 57.7 | 0 | 0 | 0 | 0 | 120.3 | | |
| 478 | G | 26.3 | Very low | 30.8 | Very low | 65 Ų | 65 | 137.4 Ų | 137.4 | 67% | 0.67 | 80% | 0.801 | S | S | * | * | | | cis | 121.6 | 126.1 | 42.1 | 0 | 0 | 0 | 0 | 0 | 110.2 | | |
| 479 | D | 26.9 | Very low | 31.6 | Very low | 159 Ų | 159 | 136.7 Ų | 136.7 | 85% | 0.85 | 80% | 0.801 | S | S | * | * | | | trans | 67.9 | 149.5 | 157.7 | -53.1 | -25.1 | 0 | 0 | 0 | 123.3 | | |
| 480 | T | 27.9 | Very low | 31.8 | Very low | 142 Ų | 142 | 138.7 Ų | 138.7 | 87% | 0.871 | 80% | 0.803 | S | S | * | * | | | trans | 93 | 135.4 | 156.3 | -11.7 | 0 | 0 | 0 | 0 | 120.1 | | |
| 481 | E | 31.3 | Very low | 32.3 | Very low | 185 Ų | 185 | 139 Ų | 139 | 86% | 0.864 | 80% | 0.799 | S | S | * | * | | | trans | -92 | 151.1 | 171.7 | -53.1 | 157 | 116.7 | 0 | 0 | 110.8 | | |
| 482 | S | 28.3 | Very low | 32.8 | Very low | 120 Ų | 120 | 142.5 Ų | 142.5 | 84% | 0.839 | 80% | 0.798 | S | S | * | * | | | trans | -168 | 155.5 | 142 | 56.5 | 0 | 0 | 0 | 0 | 111.5 | | |
| 483 | L | 34.8 | Very low | 33.1 | Very low | 167 Ų | 167 | 142.1 Ų | 142.1 | 87% | 0.874 | 80% | 0.801 | S | S | * | * | | | trans | -94 | 151.2 | 171.5 | -63.2 | 84.3 | 0 | 0 | 0 | 110.6 | | |
| 484 | S | 33.8 | Very low | 33.8 | Very low | 112 Ų | 112 | 139 Ų | 139 | 78% | 0.783 | 80% | 0.804 | S | S | * | * | | | trans | -157.5 | 115.4 | 146.1 | 57.7 | 0 | 0 | 0 | 0 | 110.2 | | |
| 485 | C | 33.8 | Very low | 34.9 | Very low | 123 Ų | 123 | 138.3 Ų | 138.3 | 83% | 0.831 | 81% | 0.81 | S | S | * | * | | | trans | -95 | 143 | 162.1 | -59.1 | 0 | 0 | 0 | 0 | 107.9 | | |
| 486 | D | 35.7 | Very low | 35.7 | Very low | 155 Ų | 155 | 139.5 Ų | 139.5 | 83% | 0.829 | 82% | 0.816 | S | S | * | * | | | trans | -143.5 | 108.5 | 164.7 | -99.1 | -43.2 | 0 | 0 | 0 | 109.7 | | |
| 487 | N | 38.4 | Very low | 36.1 | Very low | 172 Ų | 172 | 135.2 Ų | 135.2 | 92% | 0.92 | 81% | 0.809 | S | S | * | * | | | trans | -132.5 | 130.5 | 164.2 | -91.8 | -15.3 | 0 | 0 | 0 | 105.5 | | |
| 488 | A | 38.3 | Very low | 36.7 | Very low | 85 Ų | 85 | 138.5 Ų | 138.5 | 70% | 0.702 | 81% | 0.814 | S | S | * | * | | | trans | -150.4 | 155 | -178 | 0 | 0 | 0 | 0 | 0 | 112 | | |
| 489 | L | 47.3 | Very low | 37.2 | Very low | 152 Ų | 152 | 140.1 Ų | 140.1 | 80% | 0.796 | 82% | 0.815 | S | S | * | * | | | trans | 70.2 | 118.4 | -175.7 | -44.1 | 174.3 | 0 | 0 | 0 | 111.6 | | |
| 490 | F | 33 | Very low | 37.7 | Very low | 206 Ų | 206 | 136.5 Ų | 136.5 | 90% | 0.904 | 81% | 0.807 | S | S | * | * | | | cis | -116.5 | 175.2 | 33.5 | -70 | -90.2 | 0 | 0 | 0 | 115.4 | | |
| 491 | V | 40.9 | Very low | 38.2 | Very low | 119 Ų | 119 | 135.9 Ų | 135.9 | 72% | 0.721 | 80% | 0.799 | S | S | * | * | | | trans | -130.9 | 136.5 | 177.9 | 174.8 | 0 | 0 | 0 | 0 | 108.5 | | |
| 492 | I | 37.9 | Very low | 38.7 | Very low | 151 Ų | 151 | 135 Ų | 135 | 77% | 0.774 | 79% | 0.792 | S | S | * | * | | | trans | -135 | 124.3 | 165.5 | -59.8 | -178.9 | 0 | 0 | 0 | 107.1 | T494 | I492-T494 HydrophobicContact CG2-CG2 4.36Š|
| 493 | D | 35.3 | Very low | 39.2 | Very low | 152 Ų | 152 | 136.9 Ų | 136.9 | 81% | 0.813 | 79% | 0.792 | S | S | * | * | | | trans | -80.1 | 129.7 | 176 | -83.9 | -50.6 | 0 | 0 | 0 | 111.2 | | |
| 494 | T | 45.8 | Very low | 39.3 | Very low | 126 Ų | 126 | 138.3 Ų | 138.3 | 77% | 0.773 | 79% | 0.792 | S | S | * | * | | | trans | -136.6 | 72.6 | 174.2 | 56.2 | 0 | 0 | 0 | 0 | 112.8 | I492 | I492-T494 HydrophobicContact CG2-CG2 4.36Š|
| 495 | T | 49.2 | Very low | 39.1 | Very low | 138 Ų | 138 | 141.6 Ų | 141.6 | 85% | 0.847 | 79% | 0.789 | S | S | * | * | | | trans | -147.8 | 134.2 | 152.4 | 30.5 | 0 | 0 | 0 | 0 | 111.1 | | |
| 496 | P | 45.8 | Very low | 39.3 | Very low | 128 Ų | 128 | 143 Ų | 143 | 83% | 0.831 | 79% | 0.787 | S | S | * | * | | | trans | -97.4 | 124.1 | -175.8 | 34.8 | -32 | 0 | 0 | 0 | 114.1 | | |
| 497 | G | 38 | Very low | 39.3 | Very low | 67 Ų | 67 | 142.9 Ų | 142.9 | 69% | 0.691 | 78% | 0.781 | S | S | * | * | | | trans | 72.6 | 119.6 | 139 | 0 | 0 | 0 | 0 | 0 | 120.8 | | |
| 498 | M | 41.3 | Very low | 39 | Very low | 185 Ų | 185 | 143 Ų | 143 | 91% | 0.911 | 78% | 0.776 | S | S | * | * | | | trans | 71.9 | 144.9 | 153 | -55.1 | 167.9 | 59.6 | 0 | 0 | 117.7 | | |
| 499 | S | 37.8 | Very low | 38.7 | Very low | 98 Ų | 98 | 147.6 Ų | 147.6 | 69% | 0.685 | 78% | 0.783 | S | S | * | * | | | cis | -170 | 142 | -21.8 | 52.8 | 0 | 0 | 0 | 0 | 111.6 | | |
| 500 | A | 38 | Very low | 38 | Very low | 84 Ų | 84 | 147.9 Ų | 147.9 | 69% | 0.694 | 79% | 0.786 | S | S | * | * | | | trans | 68.6 | 129.6 | 152.6 | 0 | 0 | 0 | 0 | 0 | 121.7 | | |
| 501 | D | 37.5 | Very low | 37.9 | Very low | 129 Ų | 129 | 146.8 Ų | 146.8 | 69% | 0.69 | 78% | 0.781 | S | S | * | * | | | trans | 51.1 | 103.2 | 134.8 | -58.5 | -0.3 | 0 | 0 | 0 | 120.9 | | |
| 502 | K | 41.8 | Very low | 37.3 | Very low | 167 Ų | 167 | 145.2 Ų | 145.2 | 73% | 0.726 | 78% | 0.78 | S | S | * | * | | | | -177.8 | 139.8 | 95.5 | -92.4 | 151.8 | -144.9 | 84.2 | 0 | 113.5 | F504 | K502-F504 HydrophobicContact CB-CD2 4.32Å; K502-F504 HydrophobicContact CD-CE2 4.4Å; K502-F504 HydrophobicContact CG-CE2 4.38Å |
| 503 | N | 39.5 | Very low | 37.1 | Very low | 158 Ų | 158 | 143.6 Ų | 143.6 | 85% | 0.845 | 78% | 0.782 | S | S | * | * | | | trans | -81.2 | 133 | 156.5 | -57.5 | -37.6 | 0 | 0 | 0 | 108.5 | | |
| 504 | F | 36.1 | Very low | 36.8 | Very low | 197 Ų | 197 | 145.2 Ų | 145.2 | 86% | 0.864 | 79% | 0.785 | S | S | * | * | | | trans | -143.2 | 159.1 | 154.2 | -90.5 | -69.2 | 0 | 0 | 0 | 111 | K502 | K502-F504 HydrophobicContact CB-CD2 4.32Å; K502-F504 HydrophobicContact CD-CE2 4.4Å; K502-F504 HydrophobicContact CG-CE2 4.38Å |
| 505 | Y | 30 | Very low | 36 | Very low | 182 Ų | 182 | 146.4 Ų | 146.4 | 71% | 0.714 | 79% | 0.791 | S | S | * | * | | | trans | -138.4 | 131.6 | -158.3 | 179.6 | -77 | 0 | 0 | 0 | 107.6 | | |
| 506 | L | 37.1 | Very low | 35 | Very low | 151 Ų | 151 | 143.9 Ų | 143.9 | 79% | 0.791 | 79% | 0.785 | S | S | * | * | | | trans | 179 | 166.1 | 140.7 | -99.5 | 171.2 | 0 | 0 | 0 | 112.2 | | |
| 507 | E | 35.5 | Very low | 34.2 | Very low | 153 Ų | 153 | 145 Ų | 145 | 72% | 0.715 | 79% | 0.789 | S | S | * | * | | | trans | -109 | -152.4 | -173.4 | -62.1 | 166.1 | 96.4 | 0 | 0 | 110.8 | | |
| 508 | E | 33.7 | Very low | 33.8 | Very low | 174 Ų | 174 | 150.3 Ų | 150.3 | 81% | 0.813 | 80% | 0.796 | S | S | * | * | | | trans | 77.4 | 93.9 | 175.4 | -57.3 | 178.2 | -174.7 | 0 | 0 | 113.9 | | |
| 509 | E | 32.1 | Very low | 33.2 | Very low | 183 Ų | 183 | 150.1 Ų | 150.1 | 86% | 0.855 | 79% | 0.793 | S | S | * | * | | | | 75.3 | 115.3 | 78.6 | -75.6 | -161.1 | 159.4 | 0 | 0 | 114 | | |
| 510 | D | 31 | Very low | 32.7 | Very low | 157 Ų | 157 | 152.6 Ų | 152.6 | 84% | 0.84 | 79% | 0.794 | S | S | * | * | | | | -163.7 | -178.8 | 110.2 | -140 | -30.5 | 0 | 0 | 0 | 112.1 | | |
| 511 | K | 32.5 | Very low | 32.2 | Very low | 184 Ų | 184 | 155.5 Ų | 155.5 | 80% | 0.8 | 79% | 0.791 | S | S | * | * | | | trans | -109.4 | 157.4 | -166.7 | -45.6 | -170.4 | -173.7 | -166.3 | 0 | 114 | | |
| 512 | A | 28.3 | Very low | 31.8 | Very low | 86 Ų | 86 | 156.5 Ų | 156.5 | 71% | 0.711 | 79% | 0.791 | S | S | * | * | | | | 160.4 | 153 | 114.7 | 0 | 0 | 0 | 0 | 0 | 113.7 | | |
| 513 | S | 32.6 | Very low | 31.1 | Very low | 116 Ų | 116 | 156.8 Ų | 156.8 | 81% | 0.811 | 80% | 0.795 | S | S | * | * | | | trans | 59 | 159.6 | 157.6 | 47.6 | 0 | 0 | 0 | 0 | 119 | | |
| 514 | E | 29 | Very low | 30.7 | Very low | 187 Ų | 187 | 157.4 Ų | 157.4 | 87% | 0.874 | 79% | 0.793 | S | S | * | * | | | cis | -161.9 | 140.8 | -31.6 | 179.1 | 166.9 | 175.3 | 0 | 0 | 106.1 | | |
| 515 | V | 29.2 | Very low | 30.4 | Very low | 150 Ų | 150 | 156.1 Ų | 156.1 | 91% | 0.909 | 79% | 0.79 | S | S | * | * | | | trans | -106.5 | 101.5 | -165.9 | -178.6 | 0 | 0 | 0 | 0 | 112.6 | | |
| 516 | A | 28.6 | Very low | 30.3 | Very low | 86 Ų | 86 | 150.2 Ų | 150.2 | 71% | 0.711 | 79% | 0.785 | S | S | * | * | | | trans | -170.1 | 120.2 | 151.5 | 0 | 0 | 0 | 0 | 0 | 112 | | |
| 517 | T | 28.3 | Very low | 29.9 | Very low | 151 Ų | 151 | 152.5 Ų | 152.5 | 93% | 0.926 | 79% | 0.791 | S | S | * | * | | | | -174.9 | 176.9 | 125.4 | 28.9 | 0 | 0 | 0 | 0 | 110.6 | | |
| 518 | E | 29.1 | Very low | 29.6 | Very low | 179 Ų | 179 | 154.8 Ų | 154.8 | 84% | 0.836 | 80% | 0.799 | S | S | * | * | | | trans | -103.1 | 149.4 | -159.2 | -62.1 | 168.9 | 147.3 | 0 | 0 | 114.4 | | |
| 519 | E | 28.6 | Very low | 29.5 | Very low | 181 Ų | 181 | 150.6 Ų | 150.6 | 85% | 0.846 | 79% | 0.788 | S | S | * | * | | | trans | 60.9 | 160.1 | 146.4 | -69.1 | -171.1 | 179.9 | 0 | 0 | 123.6 | | |
| 520 | E | 28.8 | Very low | 29.3 | Very low | 149 Ų | 149 | 150.3 Ų | 150.3 | 70% | 0.696 | 79% | 0.787 | S | S | * | * | | | trans | 80.9 | 128.8 | 162.4 | -64.3 | -139.2 | 125.1 | 0 | 0 | 121.9 | | |
| 521 | K | 27.3 | Very low | 29.7 | Very low | 145 Ų | 145 | 151.7 Ų | 151.7 | 63% | 0.63 | 79% | 0.789 | S | S | * | * | | | trans | 72.2 | 155.6 | 145.3 | -72.1 | -171.9 | 179.4 | 68.3 | 0 | 119.8 | | |
| 522 | E | 28.8 | Very low | 29.7 | Very low | 150 Ų | 150 | 150.3 Ų | 150.3 | 70% | 0.701 | 79% | 0.79 | S | S | * | * | | | cis | -160.2 | -168.3 | -28.6 | -122.2 | 171.1 | -123.5 | 0 | 0 | 107.6 | | |
| 523 | E | 27.7 | Very low | 29.9 | Very low | 173 Ų | 173 | 151 Ų | 151 | 81% | 0.808 | 79% | 0.79 | S | S | * | * | | | trans | 72.1 | 133.4 | 169.7 | -52.7 | -178.3 | 176 | 0 | 0 | 115.4 | | |
| 524 | E | 31.2 | Very low | 30 | Very low | 171 Ų | 171 | 150.1 Ų | 150.1 | 80% | 0.799 | 78% | 0.783 | S | S | * | * | | | | 70.8 | 122.2 | 58.3 | -134.6 | 164.6 | -131.8 | 0 | 0 | 110.6 | | |
| 525 | E | 29.3 | Very low | 30.1 | Very low | 170 Ų | 170 | 147.6 Ų | 147.6 | 79% | 0.794 | 78% | 0.776 | S | S | * | * | | | | -164.4 | 167.3 | 64 | -104.8 | -73.5 | -152.4 | 0 | 0 | 113.5 | | |
| 526 | G | 26.8 | Very low | 30.2 | Very low | 59 Ų | 59 | 148.1 Ų | 148.1 | 61% | 0.608 | 77% | 0.768 | S | S | * | * | | | trans | 72.6 | 156.1 | 150.3 | 0 | 0 | 0 | 0 | 0 | 120.9 | | |
| 527 | E | 29.8 | Very low | 30.8 | Very low | 198 Ų | 198 | 149.4 Ų | 149.4 | 93% | 0.925 | 76% | 0.763 | S | S | * | * | | | cis | -148.6 | -176.4 | -11.4 | -73.2 | -155 | 118.4 | 0 | 0 | 110.6 | | |
| 528 | K | 29.7 | Very low | 31.3 | Very low | 201 Ų | 201 | 149.4 Ų | 149.4 | 87% | 0.874 | 75% | 0.753 | S | S | * | * | | | trans | -79.1 | -172.7 | 171.3 | -56.1 | 177.3 | 178.2 | 175.9 | 0 | 110.5 | | |
| 529 | S | 30.1 | Very low | 31.6 | Very low | 86 Ų | 86 | 148.1 Ų | 148.1 | 60% | 0.601 | 75% | 0.751 | S | S | * | * | | | cis | -160.6 | -162.9 | 21 | 42.8 | 0 | 0 | 0 | 0 | 109.4 | | |
| 530 | E | 29.1 | Very low | 32.2 | Very low | 177 Ų | 177 | 147.9 Ų | 147.9 | 83% | 0.827 | 75% | 0.75 | S | S | * | * | | | cis | -141.9 | -175.4 | 12.7 | -70.5 | -62 | 165.5 | 0 | 0 | 111.2 | | |
| 531 | E | 39.8 | Very low | 32.4 | Very low | 186 Ų | 186 | 148.9 Ų | 148.9 | 87% | 0.869 | 76% | 0.761 | S | S | * | * | | | trans | -146.4 | 145.8 | 179.5 | 176.7 | 173.4 | -132.6 | 0 | 0 | 111.1 | | |
| 532 | D | 31.1 | Very low | 33.2 | Very low | 156 Ų | 156 | 150.3 Ų | 150.3 | 83% | 0.834 | 77% | 0.769 | S | S | * | * | | | trans | -175.5 | 151.6 | 165.5 | -130.2 | 10.8 | 0 | 0 | 0 | 109.6 | | |
| 533 | S | 33.6 | Very low | 33.1 | Very low | 100 Ų | 100 | 148.8 Ų | 148.8 | 70% | 0.699 | 77% | 0.774 | S | S | * | * | | | cis | -156.7 | -167.1 | -5.1 | 48.4 | 0 | 0 | 0 | 0 | 107.7 | | |
| 534 | S | 34 | Very low | 33.3 | Very low | 97 Ų | 97 | 144.3 Ų | 144.3 | 68% | 0.678 | 76% | 0.762 | S | S | * | * | | | cis | -164.9 | -176.5 | 11 | -160.2 | 0 | 0 | 0 | 0 | 111.6 | | |
| 535 | D | 32 | Very low | 33.8 | Very low | 134 Ų | 134 | 143.9 Ų | 143.9 | 72% | 0.717 | 77% | 0.765 | S | S | * | * | | | trans | 79.9 | 102.7 | 150.6 | -74.5 | 25.8 | 0 | 0 | 0 | 122.6 | | |
| 536 | H | 31.6 | Very low | 34.5 | Very low | 161 Ų | 161 | 142.8 Ų | 142.8 | 75% | 0.745 | 76% | 0.76 | S | S | * | * | | | trans | 62.9 | 138.8 | 135.3 | -84.7 | -20.4 | 0 | 0 | 0 | 121.6 | | |
| 537 | D | 40 | Very low | 35.6 | Very low | 114 Ų | 114 | 146.8 Ų | 146.8 | 61% | 0.61 | 76% | 0.763 | S | S | * | * | | | cis | -160.1 | 166.7 | -8.1 | -140.3 | 13.7 | 0 | 0 | 0 | 115.1 | | |
| 538 | E | 39.4 | Very low | 36.6 | Very low | 151 Ų | 151 | 144.7 Ų | 144.7 | 71% | 0.706 | 76% | 0.758 | S | S | * | * | | | trans | 31 | 121.1 | 163 | -60 | -172.7 | 165.2 | 0 | 0 | 120.7 | | |
| 539 | N | 35.5 | Very low | 37.5 | Very low | 151 Ų | 151 | 141.8 Ų | 141.8 | 81% | 0.807 | 75% | 0.751 | S | S | * | * | | | | -170.5 | 149.1 | 87.7 | -100.6 | -93.6 | 0 | 0 | 0 | 110.8 | | |
| 540 | E | 40.7 | Very low | 38.3 | Very low | 176 Ų | 176 | 141.7 Ų | 141.7 | 82% | 0.822 | 74% | 0.744 | S | S | * | * | | | trans | -97.8 | 156.8 | -170.5 | -58.8 | 177.5 | 161 | 0 | 0 | 113.3 | | |
| 541 | D | 34 | Very low | 39.2 | Very low | 171 Ų | 171 | 139.8 Ų | 139.8 | 91% | 0.914 | 74% | 0.739 | S | S | * | * | | | | -167.5 | 130.3 | 124.2 | -107.5 | -29.1 | 0 | 0 | 0 | 109.3 | | |
| 542 | E | 42.3 | Very low | 39.5 | Very low | 174 Ų | 174 | 135.1 Ų | 135.1 | 81% | 0.813 | 73% | 0.727 | S | S | * | * | | | trans | -104.7 | 179.8 | -168.6 | -71.5 | -161.4 | 125 | 0 | 0 | 114.9 | | |
| 543 | C | 27.8 | Very low | 40.3 | Very low | 119 Ų | 119 | 131 Ų | 131 | 80% | 0.804 | 71% | 0.707 | S | S | * | * | | | trans | 77.1 | 149.8 | 155 | -72.6 | 0 | 0 | 0 | 0 | 118.3 | | |
| 544 | S | 31.6 | Very low | 41.1 | Very low | 78 Ų | 78 | 131.3 Ų | 131.3 | 55% | 0.545 | 70% | 0.696 | S | S | . | * | | | cis | -163.8 | 153.3 | -19.6 | 175.4 | 0 | 0 | 0 | 0 | 108.6 | E546 | S544-E546 WeakPolarHBondContact CB-OE2 3.34Å; S544-E546 PolarHBondContact OG-OE2 3.04Å |
| 545 | D | 41 | Very low | 42 | Very low | 162 Ų | 162 | 130.3 Ų | 130.3 | 87% | 0.866 | 69% | 0.694 | S | S | * | * | | | trans | -95 | 102 | 176.3 | -88.3 | -35.4 | 0 | 0 | 0 | 111.6 | | |
| 546 | E | 44.5 | Very low | 42.9 | Very low | 148 Ų | 148 | 132 Ų | 132 | 69% | 0.692 | 70% | 0.695 | S | S | * | * | | | trans | -121.3 | 55.7 | 171.7 | 38.9 | -101.9 | -152.9 | 0 | 0 | 113 | S544 D548 | S544-E546 WeakPolarHBondContact CB-OE2 3.34Å; S544-E546 PolarHBondContact OG-OE2 3.04Å; E546-D548 VanDerWaalsContact C-N 3.27Å; E546-D548 PolarHBondContact O-N 2.91Å |
| 547 | E | 49.6 | Very low | 43.6 | Very low | 143 Ų | 143 | 129.6 Ų | 129.6 | 67% | 0.668 | 69% | 0.687 | S | S | * | * | | | trans | -70.7 | 68.5 | 171.6 | -94.7 | -78.2 | -160.8 | 0 | 0 | 113 | | |
| 548 | D | 51.2 | Low | 43.9 | Very low | 154 Ų | 154 | 129.8 Ų | 129.8 | 82% | 0.824 | 69% | 0.687 | S | S | * | * | S | Bend | trans | -139.7 | 11 | 175.5 | -136.7 | -9 | 0 | 0 | 0 | 115.8 | E546 | E546-D548 VanDerWaalsContact C-N 3.27Å; E546-D548 PolarHBondContact O-N 2.91Å |
| 549 | L | 48.2 | Very low | 44.4 | Very low | 139 Ų | 139 | 130.9 Ų | 130.9 | 73% | 0.728 | 69% | 0.69 | S | S | * | * | S | Bend | trans | -120.3 | -9.2 | -179.6 | -71.2 | 175.9 | 0 | 0 | 0 | 115.7 | N551 S552 | L549-N551 PolarHBondContact O-N 2.93Å; L549-S552 PolarHBondContact O-OG 3.14Å |
| 550 | L | 47.9 | Very low | 45 | Very low | 85 Ų | 85 | 131.1 Ų | 131.1 | 45% | 0.445 | 69% | 0.69 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -81.4 | -4.8 | -167.3 | -65.2 | -174.7 | 0 | 0 | 0 | 116.3 | T553 K554 | L550-T553 PolarHBondContact O-OG1 3.17Å; L550-K554 WeakPolarHBondContact O-CD 3.38Å; L550-K554 WeakPolarHBondContact O-CE 3.38Å; L550-K554 VanDerWaalsContact O-CG 3.29Å; L550-K554 WeakPolarHBondContact O-CG 3.3Å |
| 551 | N | 46.5 | Very low | 45.3 | Very low | 136 Ų | 136 | 126.7 Ų | 126.7 | 73% | 0.727 | 68% | 0.676 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -87.8 | -19.1 | -179.3 | -70.4 | -30.1 | 0 | 0 | 0 | 114.3 | L549 K554 | L549-N551 PolarHBondContact O-N 2.93Å; N551-K554 PolarHBondContact OD1-NZ 3Å |
| 552 | S | 46.9 | Very low | 46.1 | Very low | 88 Ų | 88 | 122.9 Ų | 122.9 | 62% | 0.615 | 66% | 0.662 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -83.1 | -24.6 | 177.3 | 71 | 0 | 0 | 0 | 0 | 113.8 | L549 | L549-S552 PolarHBondContact O-OG 3.14Š|
| 553 | T | 49 | Very low | 46.4 | Very low | 70 Ų | 70 | 119 Ų | 119 | 43% | 0.429 | 65% | 0.654 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -91.1 | -33.3 | -172.7 | 52.7 | 0 | 0 | 0 | 0 | 113.3 | L550 A555 K556 L557 | L550-T553 PolarHBondContact O-OG1 3.17Å; T553-A555 PolarHBondContact O-N 2.84Å; T553-K556 PolarHBondContact O-N 2.93Å; T553-L557 PolarHBondContact O-N 3.09Å |
| 554 | K | 49.5 | Very low | 47.7 | Very low | 106 Ų | 106 | 119 Ų | 119 | 46% | 0.461 | 66% | 0.655 | S | S | . | * | H | α-helix | trans | -49.9 | -42.5 | 177.6 | -72.7 | 163.8 | -169.1 | 163.4 | 0 | 112.3 | L550 N551 K556 L557 L558 | L550-K554 WeakPolarHBondContact O-CD 3.38Å; L550-K554 WeakPolarHBondContact O-CE 3.38Å; L550-K554 VanDerWaalsContact O-CG 3.29Å; L550-K554 WeakPolarHBondContact O-CG 3.3Å; N551-K554 PolarHBondContact OD1-NZ 3Å; K554-K556 VanDerWaalsContact C-N 3.3Å; K554-K556 PolarHBondContact O-N 2.8Å; K554-L557 PolarHBondContact O-N 3.43Å; K554-L558 WeakPolarHBondContact O-CG 3.46Å; K554-L558 PolarHBondContact O-N 3.45Å; K554-L558 VanDerWaalsContact O-N 3.13Å |
| 555 | A | 51.8 | Low | 49.1 | Very low | 77 Ų | 77 | 122.2 Ų | 122.2 | 64% | 0.636 | 67% | 0.665 | S | S | * | * | H | α-helix | trans | -67.7 | -20.8 | 178.6 | 0 | 0 | 0 | 0 | 0 | 115 | T553 | T553-A555 PolarHBondContact O-N 2.84Å |
| 556 | K | 51 | Low | 49.7 | Very low | 168 Ų | 168 | 120.6 Ų | 120.6 | 73% | 0.73 | 66% | 0.657 | S | S | * | * | H | α-helix | trans | -94.2 | -35.4 | 174.3 | -74.5 | 178.4 | 177.4 | 172.5 | 0 | 112.2 | T553 K554 K559 | T553-K556 PolarHBondContact O-N 2.93Å; K554-K556 VanDerWaalsContact C-N 3.3Å; K554-K556 PolarHBondContact O-N 2.8Å; K556-K559 WeakPolarHBondContact O-CB 3.33Å; K556-K559 PolarHBondContact O-N 2.82Å |
| 557 | L | 47.2 | Very low | 50.4 | Low | 111 Ų | 111 | 118 Ų | 118 | 58% | 0.581 | 65% | 0.652 | S | S | * | * | H | α-helix | trans | -68.1 | -41.7 | 179.6 | -158.9 | 155.9 | 0 | 0 | 0 | 111.7 | T553 K554 K559 L560 T561 | T553-L557 PolarHBondContact O-N 3.09Å; K554-L557 PolarHBondContact O-N 3.43Å; L557-K559 PolarHBondContact O-N 3.23Å; L557-L560 PolarHBondContact O-N 3.02Å; L557-T561 HydrophobicContact CD2-CG2 3.76Å; L557-T561 PolarHBondContact O-N 3.37Å; L557-T561 VanDerWaalsContact O-N 3.1Å; L557-T561 PolarHBondContact O-OG1 3.1Å |
| 558 | L | 46.2 | Very low | 50.7 | Low | 118 Ų | 118 | 114.3 Ų | 114.3 | 62% | 0.618 | 65% | 0.653 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -54.2 | -25.8 | 172.9 | -75.4 | 168.8 | 0 | 0 | 0 | 113.7 | K554 S562 | K554-L558 WeakPolarHBondContact O-CG 3.46Å; K554-L558 PolarHBondContact O-N 3.45Å; K554-L558 VanDerWaalsContact O-N 3.13Å; L558-S562 PolarHBondContact O-OG 2.92Å |
| 559 | K | 49.3 | Very low | 51.1 | Low | 174 Ų | 174 | 112.1 Ų | 112.1 | 76% | 0.757 | 64% | 0.641 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -85 | -9.9 | 179.9 | -151.3 | 168.7 | -174.3 | 174.8 | 0 | 113.8 | K556 L557 | K556-K559 WeakPolarHBondContact O-CB 3.33Å; K556-K559 PolarHBondContact O-N 2.82Å; L557-K559 PolarHBondContact O-N 3.23Å |
| 560 | L | 49.5 | Very low | 51.4 | Low | 156 Ų | 156 | 107.9 Ų | 107.9 | 82% | 0.817 | 62% | 0.623 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -107.8 | -19.4 | 173.7 | -65.7 | 177.4 | 0 | 0 | 0 | 112.9 | L557 S562 | L557-L560 PolarHBondContact O-N 3.02Å; L560-S562 VanDerWaalsContact C-N 3.27Å |
| 561 | T | 46.8 | Very low | 51.7 | Low | 84 Ų | 84 | 110.2 Ų | 110.2 | 52% | 0.515 | 63% | 0.634 | S | S | . | * | S | Bend | trans | -87.6 | 9.9 | 167.1 | 56.1 | 0 | 0 | 0 | 0 | 113.4 | L557 S563 | L557-T561 HydrophobicContact CD2-CG2 3.76Å; L557-T561 PolarHBondContact O-N 3.37Å; L557-T561 VanDerWaalsContact O-N 3.1Å; L557-T561 PolarHBondContact O-OG1 3.1Å; T561-S563 PolarHBondContact O-N 3.15Å |
| 562 | S | 49.6 | Very low | 52.2 | Low | 90 Ų | 90 | 113.4 Ų | 113.4 | 63% | 0.629 | 64% | 0.642 | S | S | * | * | | | trans | -75 | 37.5 | 175.2 | -68.2 | 0 | 0 | 0 | 0 | 113.1 | L558 L560 S564 | L558-S562 PolarHBondContact O-OG 2.92Å; L560-S562 VanDerWaalsContact C-N 3.27Å; S562-S564 PolarHBondContact O-N 3.36Å |
| 563 | S | 50.2 | Low | 52.6 | Low | 93 Ų | 93 | 117.2 Ų | 117.2 | 65% | 0.65 | 65% | 0.65 | S | S | * | * | | | trans | -74.4 | 89.4 | 170.8 | 54.6 | 0 | 0 | 0 | 0 | 109.2 | T561 I565 | T561-S563 PolarHBondContact O-N 3.15Å; S563-I565 PolarHBondContact O-N 3.22Å |
| 564 | S | 54 | Low | 53.1 | Low | 118 Ų | 118 | 119 Ų | 119 | 83% | 0.825 | 66% | 0.656 | S | S | * | * | | | trans | -59.5 | 97.8 | 170.3 | 175 | 0 | 0 | 0 | 0 | 109.8 | S562 D566 | S562-S564 PolarHBondContact O-N 3.36Å; S564-D566 PolarHBondContact O-N 2.93Å |
| 565 | I | 60.6 | Low | 53.3 | Low | 147 Ų | 147 | 117.6 Ų | 117.6 | 75% | 0.754 | 67% | 0.672 | S | S | * | * | | | trans | -67.5 | 103.5 | 169 | -63.1 | 171.6 | 0 | 0 | 0 | 107 | S563 P567 | S563-I565 PolarHBondContact O-N 3.22Å; I565-P567 WeakPolarHBondContact O-CD 3.41Å |
| 566 | D | 54.2 | Low | 53.3 | Low | 128 Ų | 128 | 116.6 Ų | 116.6 | 68% | 0.684 | 67% | 0.669 | S | S | * | * | | | trans | -61.6 | 118.1 | 160.9 | 179.7 | -4.1 | 0 | 0 | 0 | 107.2 | S564 G568 | S564-D566 PolarHBondContact O-N 2.93Å; D566-G568 PolarHBondContact O-N 3.46Å; D566-G568 VanDerWaalsContact O-N 3.11Å; D566-G568 PolarHBondContact OD1-N 3.13Å |
| 567 | P | 59.9 | Low | 53.1 | Low | 93 Ų | 93 | 115.5 Ų | 115.5 | 60% | 0.604 | 67% | 0.67 | S | S | * | * | | | trans | -69.4 | -3 | 179.9 | 30 | -35.9 | 0 | 0 | 0 | 113 | I565 L569 | I565-P567 WeakPolarHBondContact O-CD 3.41Å; P567-L569 PolarHBondContact O-N 3.42Å |
| 568 | G | 55.3 | Low | 53.1 | Low | 66 Ų | 66 | 119.4 Ų | 119.4 | 68% | 0.68 | 68% | 0.679 | S | S | * | * | S | Bend | trans | 68.6 | -0.6 | 179.6 | 0 | 0 | 0 | 0 | 0 | 114.2 | D566 | D566-G568 PolarHBondContact O-N 3.46Å; D566-G568 VanDerWaalsContact O-N 3.11Å; D566-G568 PolarHBondContact OD1-N 3.13Å |
| 569 | L | 58.7 | Low | 53.7 | Low | 108 Ų | 108 | 118.8 Ų | 118.8 | 57% | 0.565 | 68% | 0.675 | S | S | * | * | | | trans | -105 | 100.4 | -175.2 | -71.2 | 173.1 | 0 | 0 | 0 | 109.3 | P567 I571 L574 | P567-L569 PolarHBondContact O-N 3.42Å; L569-I571 PolarHBondContact O-N 2.98Å; L569-I571 VanDerWaalsContact O-N 3.15Å; L569-L574 HydrophobicContact CB-CD1 3.99Å; L569-L574 HydrophobicContact CD1-CD1 4.19Å; L569-L574 HydrophobicContact CD2-CD1 4.21Å; L569-L574 HydrophobicContact CG-CD1 4.37Å |
| 570 | S | 55.3 | Low | 54 | Low | 50 Ų | 50 | 114.5 Ų | 114.5 | 35% | 0.35 | 66% | 0.66 | S | S | . | * | | | trans | -67.6 | 118.5 | 178.2 | 90.9 | 0 | 0 | 0 | 0 | 110.3 | K572 Q573 L574 | S570-K572 PolarHBondContact O-N 3.32Å; S570-Q573 PolarHBondContact O-N 2.91Å; S570-Q573 WeakPolarHBondContact OG-CB 3.21Å; S570-Q573 VanDerWaalsContact OG-CD 3.26Å; S570-Q573 VanDerWaalsContact OG-CG 3.31Å; S570-Q573 WeakPolarHBondContact OG-CG 3.42Å; S570-Q573 PolarHBondContact OG-N 3.18Å; S570-Q573 PolarHBondContact OG-OE1 3.46Å; S570-L574 PolarHBondContact O-N 3.47Å |
| 571 | I | 54.5 | Low | 54.1 | Low | 133 Ų | 133 | 115.8 Ų | 115.8 | 68% | 0.682 | 66% | 0.66 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -62.7 | -4.4 | 175.5 | -72.9 | 169.8 | 0 | 0 | 0 | 112.3 | L569 L574 | L569-I571 PolarHBondContact O-N 2.98Å; L569-I571 VanDerWaalsContact O-N 3.15Å; I571-L574 VanDerWaalsContact O-O 3.13Å |
| 572 | K | 56.5 | Low | 54.3 | Low | 204 Ų | 204 | 116.8 Ų | 116.8 | 89% | 0.887 | 66% | 0.662 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -91.4 | -16.5 | 172 | -62.1 | -180 | -179.3 | 177.2 | 0 | 113.4 | S570 | S570-K572 PolarHBondContact O-N 3.32Š|
| 573 | Q | 55.3 | Low | 54.6 | Low | 168 Ų | 168 | 115.9 Ų | 115.9 | 79% | 0.785 | 66% | 0.66 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -104.9 | -36.5 | 174.4 | -72.1 | 166 | -38.7 | 0 | 0 | 111.9 | S570 G575 | S570-Q573 PolarHBondContact O-N 2.91Å; S570-Q573 WeakPolarHBondContact OG-CB 3.21Å; S570-Q573 VanDerWaalsContact OG-CD 3.26Å; S570-Q573 VanDerWaalsContact OG-CG 3.31Å; S570-Q573 WeakPolarHBondContact OG-CG 3.42Å; S570-Q573 PolarHBondContact OG-N 3.18Å; S570-Q573 PolarHBondContact OG-OE1 3.46Å; Q573-G575 VanDerWaalsContact C-N 3.3Å; Q573-G575 PolarHBondContact O-N 3.47Å |
| 574 | L | 59 | Low | 54.9 | Low | 106 Ų | 106 | 118.4 Ų | 118.4 | 56% | 0.555 | 67% | 0.666 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -73.2 | 88.7 | 160.6 | -76.4 | 174.2 | 0 | 0 | 0 | 108.4 | L569 S570 I571 G576 | L569-L574 HydrophobicContact CB-CD1 3.99Å; L569-L574 HydrophobicContact CD1-CD1 4.19Å; L569-L574 HydrophobicContact CD2-CD1 4.21Å; L569-L574 HydrophobicContact CG-CD1 4.37Å; S570-L574 PolarHBondContact O-N 3.47Å; I571-L574 VanDerWaalsContact O-O 3.13Å; L574-G576 PolarHBondContact O-N 2.94Å |
| 575 | G | 54.8 | Low | 54.9 | Low | 78 Ų | 78 | 121.6 Ų | 121.6 | 80% | 0.804 | 67% | 0.665 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -59.3 | 91.5 | -165.7 | 0 | 0 | 0 | 0 | 0 | 115.5 | Q573 | Q573-G575 VanDerWaalsContact C-N 3.3Å; Q573-G575 PolarHBondContact O-N 3.47Å |
| 576 | G | 51.8 | Low | 54.5 | Low | 56 Ų | 56 | 120.9 Ų | 120.9 | 58% | 0.577 | 66% | 0.662 | S | S | * | * | | | trans | 78.9 | 112.3 | 164.4 | 0 | 0 | 0 | 0 | 0 | 115.1 | L574 Y578 | L574-G576 PolarHBondContact O-N 2.94Å; G576-Y578 PolarHBondContact O-N 3.04Å |
| 577 | L | 46.5 | Very low | 54.5 | Low | 144 Ų | 144 | 120.7 Ų | 120.7 | 75% | 0.754 | 66% | 0.657 | S | S | * | * | | | trans | -64.9 | 97.5 | 164.8 | -179.4 | 67.7 | 0 | 0 | 0 | 109.4 | I579 | L577-I579 HydrophobicContact CD2-CD1 3.99Å; L577-I579 HydrophobicContact CD2-CG1 4.49Å; L577-I579 HydrophobicContact CG-CD1 4.18Å; L577-I579 HydrophobicContact CG-CG1 4.15Å; L577-I579 PolarHBondContact O-N 3.38Å |
| 578 | Y | 47.7 | Very low | 54.2 | Low | 194 Ų | 194 | 121 Ų | 121 | 76% | 0.761 | 66% | 0.661 | S | S | * | * | | | trans | -76.3 | 64.8 | -174.5 | -171.1 | -102.5 | 0 | 0 | 0 | 112.9 | G576 N580 | G576-Y578 PolarHBondContact O-N 3.04Å; Y578-N580 HydrophobicContact CD1-CB 4.39Å; Y578-N580 HydrophobicContact CD2-CB 4.24Å; Y578-N580 HydrophobicContact CE1-CB 4.01Å; Y578-N580 HydrophobicContact CE2-CB 3.82Å; Y578-N580 VanDerWaalsContact CE2-ND2 3.3Å; Y578-N580 WeakPolarHBondContact CE2-ND2 3.31Å; Y578-N580 VanDerWaalsContact CZ-ND2 3.27Å; Y578-N580 PolarHBondContact O-N 3.07Å; Y578-N580 PolarHBondContact OH-ND2 3.42Å |
| 579 | I | 57.6 | Low | 54.2 | Low | 105 Ų | 105 | 122.9 Ų | 122.9 | 54% | 0.538 | 66% | 0.656 | S | S | . | * | | | trans | -92.7 | 84 | 161.8 | -57.3 | 175 | 0 | 0 | 0 | 107 | L577 F581 | L577-I579 HydrophobicContact CD2-CD1 3.99Å; L577-I579 HydrophobicContact CD2-CG1 4.49Å; L577-I579 HydrophobicContact CG-CD1 4.18Å; L577-I579 HydrophobicContact CG-CG1 4.15Å; L577-I579 PolarHBondContact O-N 3.38Å; I579-F581 HydrophobicContact CB-CE2 4.23Å; I579-F581 HydrophobicContact CG2-CD2 3.87Å; I579-F581 HydrophobicContact CG2-CE1 4.44Å; I579-F581 HydrophobicContact CG2-CE2 3.4Å; I579-F581 HydrophobicContact CG2-CZ 3.73Å; I579-F581 WeakPolarHBondContact O-CD2 3.26Å; I579-F581 PolarHBondContact O-N 2.64Å; I579-F581 VanDerWaalsContact O-N 3.09Å |
| 580 | N | 56 | Low | 54.2 | Low | 84 Ų | 84 | 122.9 Ų | 122.9 | 45% | 0.449 | 65% | 0.651 | S | S | . | * | | | trans | -81.7 | 91.4 | -171.4 | -153.6 | 4 | 0 | 0 | 0 | 110.6 | Y578 N582 | Y578-N580 HydrophobicContact CD1-CB 4.39Å; Y578-N580 HydrophobicContact CD2-CB 4.24Å; Y578-N580 HydrophobicContact CE1-CB 4.01Å; Y578-N580 HydrophobicContact CE2-CB 3.82Å; Y578-N580 VanDerWaalsContact CE2-ND2 3.3Å; Y578-N580 WeakPolarHBondContact CE2-ND2 3.31Å; Y578-N580 VanDerWaalsContact CZ-ND2 3.27Å; Y578-N580 PolarHBondContact O-N 3.07Å; Y578-N580 PolarHBondContact OH-ND2 3.42Å; N580-N582 PolarHBondContact ND2-ND2 3.45Å; N580-N582 VanDerWaalsContact ND2-ND2 3.17Å; N580-N582 PolarHBondContact O-N 3.31Å; N580-N582 PolarHBondContact OD1-ND2 3.42Å; N580-N582 VanDerWaalsContact OD1-ND2 3.14Å |
| 581 | F | 52.5 | Low | 54.5 | Low | 183 Ų | 183 | 130.4 Ų | 130.4 | 80% | 0.803 | 67% | 0.672 | S | S | * | * | | | trans | -70.1 | 51.5 | -178 | -77.5 | -80 | 0 | 0 | 0 | 114.3 | I579 A583 | I579-F581 HydrophobicContact CB-CE2 4.23Å; I579-F581 HydrophobicContact CG2-CD2 3.87Å; I579-F581 HydrophobicContact CG2-CE1 4.44Å; I579-F581 HydrophobicContact CG2-CE2 3.4Å; I579-F581 HydrophobicContact CG2-CZ 3.73Å; I579-F581 WeakPolarHBondContact O-CD2 3.26Å; I579-F581 PolarHBondContact O-N 2.64Å; I579-F581 VanDerWaalsContact O-N 3.09Å; F581-A583 VanDerWaalsContact C-N 3.27Å; F581-A583 PolarHBondContact O-N 3.08Å |
| 582 | N | 50.5 | Low | 54.9 | Low | 104 Ų | 104 | 127.3 Ų | 127.3 | 56% | 0.556 | 66% | 0.659 | S | S | * | * | | | trans | -76.4 | 74.4 | 171.4 | -75.9 | -59.7 | 0 | 0 | 0 | 111 | N580 D584 | N580-N582 PolarHBondContact ND2-ND2 3.45Å; N580-N582 VanDerWaalsContact ND2-ND2 3.17Å; N580-N582 PolarHBondContact O-N 3.31Å; N580-N582 PolarHBondContact OD1-ND2 3.42Å; N580-N582 VanDerWaalsContact OD1-ND2 3.14Å; N582-D584 PolarHBondContact O-N 3.35Å |
| 583 | A | 56.9 | Low | 55.2 | Low | 71 Ų | 71 | 121.5 Ų | 121.5 | 59% | 0.587 | 64% | 0.638 | S | S | * | * | G | 310 helix | trans | -56.5 | -32.5 | 178.4 | 0 | 0 | 0 | 0 | 0 | 113 | F581 K585 | F581-A583 VanDerWaalsContact C-N 3.27Å; F581-A583 PolarHBondContact O-N 3.08Å; A583-K585 PolarHBondContact O-N 2.88Å |
| 584 | D | 55.7 | Low | 55.7 | Low | 146 Ų | 146 | 116.7 Ų | 116.7 | 78% | 0.781 | 62% | 0.62 | S | S | * | * | G | 310 helix | trans | -86.5 | -0.1 | -163.1 | -54.1 | -47.1 | 0 | 0 | 0 | 115.4 | N582 | N582-D584 PolarHBondContact O-N 3.35Š|
| 585 | K | 54.7 | Low | 56.2 | Low | 186 Ų | 186 | 116.5 Ų | 116.5 | 81% | 0.809 | 62% | 0.616 | S | S | * | * | G | 310 helix | trans | -112.7 | 2.3 | 175.2 | -70.8 | -168 | 176.2 | -177.6 | 0 | 115.2 | A583 | A583-K585 PolarHBondContact O-N 2.88Š|
| 586 | L | 51.7 | Low | 56.8 | Low | 131 Ų | 131 | 117 Ų | 117 | 69% | 0.686 | 60% | 0.599 | S | S | * | * | | | trans | -100.1 | 23.1 | -179.9 | -147.7 | 91.5 | 0 | 0 | 0 | 114.7 | | |
| 587 | Q | 53 | Low | 57.8 | Low | 125 Ų | 125 | 120.1 Ų | 120.1 | 58% | 0.584 | 60% | 0.597 | S | S | * | * | S | Bend | trans | -79.4 | -35 | -179.8 | -68 | -74.3 | 4.6 | 0 | 0 | 113.5 | | |
| 588 | S | 54.1 | Low | 59.1 | Low | 99 Ų | 99 | 117.8 Ų | 117.8 | 69% | 0.692 | 58% | 0.582 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -72.8 | -37 | -166.4 | 50.9 | 0 | 0 | 0 | 0 | 115.2 | K590 | S588-K590 PolarHBondContact O-N 3.28Š|
| 589 | N | 54.9 | Low | 60.3 | Low | 106 Ų | 106 | 115.5 Ų | 115.5 | 57% | 0.567 | 58% | 0.576 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -92.3 | 14.6 | -173.7 | -76.9 | -48.9 | 0 | 0 | 0 | 114.7 | T592 L593 | N589-T592 PolarHBondContact O-OG1 2.99Å; N589-T592 VanDerWaalsContact O-OG1 3.07Å; N589-T592 PolarHBondContact OD1-OG1 3.04Å; N589-L593 VanDerWaalsContact O-CB 3.26Å; N589-L593 WeakPolarHBondContact O-CB 3.29Å; N589-L593 PolarHBondContact O-N 3.16Å |
| 590 | K | 59.7 | Low | 61.3 | Low | 108 Ų | 108 | 116.5 Ų | 116.5 | 47% | 0.47 | 58% | 0.577 | S | S | . | * | H | α-helix | trans | -62.4 | -46 | -178.6 | -71.6 | 178.1 | 174.5 | 178.2 | 0 | 112.3 | S588 L593 T594 | S588-K590 PolarHBondContact O-N 3.28Å; K590-L593 PolarHBondContact O-N 2.84Å; K590-T594 WeakPolarHBondContact O-CG2 3.46Å; K590-T594 PolarHBondContact O-N 3.01Å; K590-T594 PolarHBondContact O-OG1 3.39Å |
| 591 | R | 62.3 | Low | 62.4 | Low | 207 Ų | 207 | 119.1 Ų | 119.1 | 78% | 0.781 | 58% | 0.584 | S | S | * | * | H | α-helix | trans | -67.3 | -39.9 | -178 | -67.4 | 178.8 | 179.3 | 156.7 | -0.9 | 113.4 | T594 Q595 | R591-T594 PolarHBondContact O-OG1 3.3Å; R591-T594 VanDerWaalsContact O-OG1 3.08Å; R591-Q595 WeakPolarHBondContact O-CB 3.44Å; R591-Q595 VanDerWaalsContact O-CG 3.31Å; R591-Q595 WeakPolarHBondContact O-CG 3.36Å; R591-Q595 PolarHBondContact O-N 2.92Å |
| 592 | T | 61.7 | Low | 63.6 | Low | 68 Ų | 68 | 114.9 Ų | 114.9 | 42% | 0.417 | 57% | 0.57 | S | S | . | * | H | α-helix | trans | -68.7 | -40.5 | 175.7 | 44.6 | 0 | 0 | 0 | 0 | 110.7 | N589 Q595 I596 | N589-T592 PolarHBondContact O-OG1 2.99Å; N589-T592 VanDerWaalsContact O-OG1 3.07Å; N589-T592 PolarHBondContact OD1-OG1 3.04Å; T592-Q595 PolarHBondContact O-N 2.75Å; T592-I596 WeakPolarHBondContact O-CB 3.41Å; T592-I596 WeakPolarHBondContact O-CD1 3.21Å; T592-I596 WeakPolarHBondContact O-CG1 3.12Å; T592-I596 PolarHBondContact O-N 3Å |
| 593 | L | 62.3 | Low | 65.1 | Low | 83 Ų | 83 | 115 Ų | 115 | 44% | 0.435 | 57% | 0.567 | S | S | . | * | H | α-helix | trans | -68.2 | -35.7 | 176 | -173.9 | 60.8 | 0 | 0 | 0 | 113.3 | N589 K590 K597 | N589-L593 VanDerWaalsContact O-CB 3.26Å; N589-L593 WeakPolarHBondContact O-CB 3.29Å; N589-L593 PolarHBondContact O-N 3.16Å; K590-L593 PolarHBondContact O-N 2.84Å; L593-K597 HydrophobicContact CG-CD 4.31Å; L593-K597 WeakPolarHBondContact O-CB 3.48Å; L593-K597 VanDerWaalsContact O-CG 3.25Å; L593-K597 WeakPolarHBondContact O-CG 3.43Å; L593-K597 PolarHBondContact O-N 3.49Å |
| 594 | T | 66.2 | Low | 66.1 | Low | 66 Ų | 66 | 117.5 Ų | 117.5 | 41% | 0.405 | 57% | 0.57 | S | S | . | * | H | α-helix | trans | -67.9 | -46.6 | 172.6 | 56.7 | 0 | 0 | 0 | 0 | 111.2 | K590 R591 I596 K597 E598 | K590-T594 WeakPolarHBondContact O-CG2 3.46Å; K590-T594 PolarHBondContact O-N 3.01Å; K590-T594 PolarHBondContact O-OG1 3.39Å; R591-T594 PolarHBondContact O-OG1 3.3Å; R591-T594 VanDerWaalsContact O-OG1 3.08Å; T594-I596 VanDerWaalsContact C-N 3.29Å; T594-I596 PolarHBondContact O-N 2.98Å; T594-K597 CarbonylContact O-C 3.5Å; T594-K597 WeakPolarHBondContact O-CA 3.25Å; T594-K597 WeakPolarHBondContact O-CB 3.4Å; T594-K597 PolarHBondContact O-N 3.23Å; T594-E598 WeakPolarHBondContact O-CB 3.22Å; T594-E598 VanDerWaalsContact O-CD 3.32Å; T594-E598 WeakPolarHBondContact O-CG 3.31Å; T594-E598 PolarHBondContact O-N 3.47Å |
| 595 | Q | 69.1 | Low | 67.3 | Low | 102 Ų | 102 | 115.6 Ų | 115.6 | 48% | 0.477 | 56% | 0.559 | S | S | . | * | H | α-helix | trans | -59 | -37.6 | 175.6 | -73.9 | 177.7 | 3.5 | 0 | 0 | 113 | R591 T592 K599 | R591-Q595 WeakPolarHBondContact O-CB 3.44Å; R591-Q595 VanDerWaalsContact O-CG 3.31Å; R591-Q595 WeakPolarHBondContact O-CG 3.36Å; R591-Q595 PolarHBondContact O-N 2.92Å; T592-Q595 PolarHBondContact O-N 2.75Å; Q595-K599 WeakPolarHBondContact O-CB 3.26Å; Q595-K599 VanDerWaalsContact O-CG 3.26Å; Q595-K599 WeakPolarHBondContact O-CG 3.31Å; Q595-K599 PolarHBondContact O-N 2.92Å |
| 596 | I | 69.1 | Low | 68.3 | Low | 89 Ų | 89 | 114.5 Ų | 114.5 | 46% | 0.456 | 56% | 0.557 | S | S | . | * | H | α-helix | trans | -68.1 | -39.5 | 174.1 | -70.4 | 164 | 0 | 0 | 0 | 110.9 | T592 T594 K600 | T592-I596 WeakPolarHBondContact O-CB 3.41Å; T592-I596 WeakPolarHBondContact O-CD1 3.21Å; T592-I596 WeakPolarHBondContact O-CG1 3.12Å; T592-I596 PolarHBondContact O-N 3Å; T594-I596 VanDerWaalsContact C-N 3.29Å; T594-I596 PolarHBondContact O-N 2.98Å; I596-K600 HydrophobicContact CG2-CD 4.38Å; I596-K600 WeakPolarHBondContact O-CB 3.44Å; I596-K600 VanDerWaalsContact O-CG 3.31Å; I596-K600 WeakPolarHBondContact O-CG 3.24Å; I596-K600 PolarHBondContact O-N 2.8Å |
| 597 | K | 72.5 | Confident | 69.6 | Low | 122 Ų | 122 | 116.1 Ų | 116.1 | 53% | 0.53 | 56% | 0.558 | S | S | . | * | H | α-helix | trans | -68.5 | -36.4 | 175.1 | -75.5 | 173.5 | 177.2 | -176.1 | 0 | 112.5 | L593 T594 K601 | L593-K597 HydrophobicContact CG-CD 4.31Å; L593-K597 WeakPolarHBondContact O-CB 3.48Å; L593-K597 VanDerWaalsContact O-CG 3.25Å; L593-K597 WeakPolarHBondContact O-CG 3.43Å; L593-K597 PolarHBondContact O-N 3.49Å; T594-K597 CarbonylContact O-C 3.5Å; T594-K597 WeakPolarHBondContact O-CA 3.25Å; T594-K597 WeakPolarHBondContact O-CB 3.4Å; T594-K597 PolarHBondContact O-N 3.23Å; K597-K601 WeakPolarHBondContact O-CB 3.45Å; K597-K601 VanDerWaalsContact O-CG 3.31Å; K597-K601 WeakPolarHBondContact O-CG 3.34Å; K597-K601 PolarHBondContact O-N 2.91Å |
| 598 | E | 73.1 | Confident | 71 | Confident | 95 Ų | 95 | 112 Ų | 112 | 44% | 0.444 | 55% | 0.546 | S | S | . | . | H | α-helix | trans | -68.8 | -47.1 | 175.8 | -74.4 | 149.4 | -161 | 0 | 0 | 111 | T594 K600 K601 N602 | T594-E598 WeakPolarHBondContact O-CB 3.22Å; T594-E598 VanDerWaalsContact O-CD 3.32Å; T594-E598 WeakPolarHBondContact O-CG 3.31Å; T594-E598 PolarHBondContact O-N 3.47Å; E598-K600 VanDerWaalsContact C-N 3.32Å; E598-K600 PolarHBondContact O-N 3.34Å; E598-K601 WeakPolarHBondContact O-CB 3.39Å; E598-K601 PolarHBondContact O-N 2.95Å; E598-K601 VanDerWaalsContact O-N 3.16Å; E598-N602 VanDerWaalsContact O-CG 3.22Å; E598-N602 PolarHBondContact O-N 3.42Å; E598-N602 PolarHBondContact O-OD1 2.95Å |
| 599 | K | 73.6 | Confident | 71.9 | Confident | 146 Ų | 146 | 112.6 Ų | 112.6 | 64% | 0.635 | 55% | 0.545 | S | S | * | . | H | α-helix | trans | -57.2 | -44.7 | 172.6 | -74 | 173.2 | 180 | -177.9 | 0 | 111.6 | Q595 N602 E603 | Q595-K599 WeakPolarHBondContact O-CB 3.26Å; Q595-K599 VanDerWaalsContact O-CG 3.26Å; Q595-K599 WeakPolarHBondContact O-CG 3.31Å; Q595-K599 PolarHBondContact O-N 2.92Å; K599-N602 PolarHBondContact O-N 3.5Å; K599-E603 WeakPolarHBondContact O-CB 3.41Å; K599-E603 PolarHBondContact O-N 2.88Å |
| 600 | K | 77.8 | Confident | 73.1 | Confident | 126 Ų | 126 | 113.7 Ų | 113.7 | 55% | 0.548 | 55% | 0.549 | S | S | . | . | H | α-helix | trans | -66 | -37 | 174.8 | -75 | -176.6 | 175.5 | -165.7 | 0 | 113.6 | I596 E598 E603 L604 | I596-K600 HydrophobicContact CG2-CD 4.38Å; I596-K600 WeakPolarHBondContact O-CB 3.44Å; I596-K600 VanDerWaalsContact O-CG 3.31Å; I596-K600 WeakPolarHBondContact O-CG 3.24Å; I596-K600 PolarHBondContact O-N 2.8Å; E598-K600 VanDerWaalsContact C-N 3.32Å; E598-K600 PolarHBondContact O-N 3.34Å; K600-E603 PolarHBondContact O-N 3.08Å; K600-L604 WeakPolarHBondContact O-CB 3.46Å; K600-L604 VanDerWaalsContact O-CG 3.24Å; K600-L604 WeakPolarHBondContact O-CG 3.31Å; K600-L604 PolarHBondContact O-N 3.34Å |
| 601 | K | 79.8 | Confident | 74.2 | Confident | 138 Ų | 138 | 111.6 Ų | 111.6 | 60% | 0.6 | 55% | 0.546 | S | S | * | . | H | α-helix | trans | -60.8 | -46.2 | 171.7 | -81.5 | 176.6 | 174 | -169.8 | 0 | 110.7 | K597 E598 E603 L604 L605 | K597-K601 WeakPolarHBondContact O-CB 3.45Å; K597-K601 VanDerWaalsContact O-CG 3.31Å; K597-K601 WeakPolarHBondContact O-CG 3.34Å; K597-K601 PolarHBondContact O-N 2.91Å; E598-K601 WeakPolarHBondContact O-CB 3.39Å; E598-K601 PolarHBondContact O-N 2.95Å; E598-K601 VanDerWaalsContact O-N 3.16Å; K601-E603 PolarHBondContact O-N 3.14Å; K601-L604 PolarHBondContact O-N 2.82Å; K601-L605 WeakPolarHBondContact O-CB 3.48Å; K601-L605 VanDerWaalsContact O-CG 3.27Å; K601-L605 WeakPolarHBondContact O-CG 3.13Å; K601-L605 PolarHBondContact O-N 3.25Å |
| 602 | N | 77.1 | Confident | 75.2 | Confident | 94 Ų | 94 | 107.1 Ų | 107.1 | 50% | 0.503 | 54% | 0.543 | S | S | . | . | H | α-helix | trans | -65.9 | -39.3 | 180 | -63.1 | -4.4 | 0 | 0 | 0 | 111.5 | E598 K599 L604 L605 Q606 | E598-N602 VanDerWaalsContact O-CG 3.22Å; E598-N602 PolarHBondContact O-N 3.42Å; E598-N602 PolarHBondContact O-OD1 2.95Å; K599-N602 PolarHBondContact O-N 3.5Å; N602-L604 VanDerWaalsContact C-N 3.34Å; N602-L604 PolarHBondContact O-N 2.89Å; N602-L605 PolarHBondContact O-N 2.92Å; N602-Q606 VanDerWaalsContact O-CG 3.31Å; N602-Q606 WeakPolarHBondContact O-CG 3.46Å; N602-Q606 PolarHBondContact O-N 2.59Å |
| 603 | E | 82.4 | Confident | 76.1 | Confident | 106 Ų | 106 | 108 Ų | 108 | 50% | 0.495 | 55% | 0.545 | S | S | . | . | H | α-helix | trans | -63.7 | -34.6 | 173.4 | -169.7 | -169 | 159.8 | 0 | 0 | 113 | K599 K600 K601 | K599-E603 WeakPolarHBondContact O-CB 3.41Å; K599-E603 PolarHBondContact O-N 2.88Å; K600-E603 PolarHBondContact O-N 3.08Å; K601-E603 PolarHBondContact O-N 3.14Å |
| 604 | L | 77.9 | Confident | 77 | Confident | 124 Ų | 124 | 106.3 Ų | 106.3 | 65% | 0.649 | 54% | 0.535 | S | S | * | . | H | α-helix | trans | -73.7 | -41.8 | 173.2 | -71.4 | 167 | 0 | 0 | 0 | 111.8 | K600 K601 N602 Q606 K607 | K600-L604 WeakPolarHBondContact O-CB 3.46Å; K600-L604 VanDerWaalsContact O-CG 3.24Å; K600-L604 WeakPolarHBondContact O-CG 3.31Å; K600-L604 PolarHBondContact O-N 3.34Å; K601-L604 PolarHBondContact O-N 2.82Å; N602-L604 VanDerWaalsContact C-N 3.34Å; N602-L604 PolarHBondContact O-N 2.89Å; L604-Q606 VanDerWaalsContact C-N 3.3Å; L604-Q606 PolarHBondContact O-N 3.3Å; L604-K607 PolarHBondContact O-N 2.89Å |
| 605 | L | 79.9 | Confident | 77.8 | Confident | 107 Ų | 107 | 111.8 Ų | 111.8 | 56% | 0.56 | 56% | 0.556 | S | S | * | * | H | α-helix | trans | -66.3 | -30 | 177 | -71.2 | 168.3 | 0 | 0 | 0 | 112.5 | K601 N602 K607 A608 | K601-L605 WeakPolarHBondContact O-CB 3.48Å; K601-L605 VanDerWaalsContact O-CG 3.27Å; K601-L605 WeakPolarHBondContact O-CG 3.13Å; K601-L605 PolarHBondContact O-N 3.25Å; N602-L605 PolarHBondContact O-N 2.92Å; L605-K607 PolarHBondContact O-N 2.91Å; L605-K607 VanDerWaalsContact O-N 3.1Å; L605-A608 WeakPolarHBondContact O-CB 3.31Å; L605-A608 PolarHBondContact O-N 3.44Å |
| 606 | Q | 77.2 | Confident | 78.6 | Confident | 162 Ų | 162 | 114.5 Ų | 114.5 | 76% | 0.757 | 57% | 0.566 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -61.2 | -13.5 | 170.1 | -80 | 173.7 | 0.6 | 0 | 0 | 114.2 | N602 L604 | N602-Q606 VanDerWaalsContact O-CG 3.31Å; N602-Q606 WeakPolarHBondContact O-CG 3.46Å; N602-Q606 PolarHBondContact O-N 2.59Å; L604-Q606 VanDerWaalsContact C-N 3.3Å; L604-Q606 PolarHBondContact O-N 3.3Å |
| 607 | K | 78.1 | Confident | 79.2 | Confident | 165 Ų | 165 | 114.4 Ų | 114.4 | 72% | 0.717 | 57% | 0.567 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -109.2 | 2.5 | 175.5 | -63.6 | 174 | -177.6 | 166.9 | 0 | 112.9 | L604 L605 | L604-K607 PolarHBondContact O-N 2.89Å; L605-K607 PolarHBondContact O-N 2.91Å; L605-K607 VanDerWaalsContact O-N 3.1Å |
| 608 | A | 82.7 | Confident | 79.6 | Confident | 39 Ų | 39 | 118.1 Ų | 118.1 | 32% | 0.322 | 59% | 0.586 | S | S | . | * | | | trans | -79.7 | 144.3 | 176.7 | 0 | 0 | 0 | 0 | 0 | 111 | L605 I610 | L605-A608 WeakPolarHBondContact O-CB 3.31Å; L605-A608 PolarHBondContact O-N 3.44Å; A608-I610 VanDerWaalsContact C-N 3.26Å; A608-I610 PolarHBondContact O-N 3.34Å |
| 609 | V | 72 | Confident | 79.9 | Confident | 112 Ų | 112 | 118.6 Ų | 118.6 | 68% | 0.679 | 60% | 0.598 | S | S | * | * | S | Bend | trans | -66.8 | -32.5 | 173.1 | 178.9 | 0 | 0 | 0 | 0 | 111 | T611 F614 | V609-T611 PolarHBondContact O-N 2.85Å; V609-T611 VanDerWaalsContact O-N 3.17Å; V609-F614 HydrophobicContact CG1-CE2 3.95Å; V609-F614 VanDerWaalsContact O-CD2 3.26Å; V609-F614 WeakPolarHBondContact O-CD2 3.27Å |
| 610 | I | 80.8 | Confident | 80.3 | Confident | 128 Ų | 128 | 115.9 Ų | 115.9 | 66% | 0.656 | 59% | 0.593 | S | S | * | * | | | trans | -84.6 | 86.4 | 177.1 | -50.6 | 174.7 | 0 | 0 | 0 | 108.8 | A608 | A608-I610 VanDerWaalsContact C-N 3.26Å; A608-I610 PolarHBondContact O-N 3.34Å |
| 611 | T | 82.3 | Confident | 80.3 | Confident | 64 Ų | 64 | 113.8 Ų | 113.8 | 39% | 0.393 | 59% | 0.593 | S | S | . | * | | | trans | -78 | 159.3 | 163.3 | 53.9 | 0 | 0 | 0 | 0 | 110.2 | V609 D613 F614 | V609-T611 PolarHBondContact O-N 2.85Å; V609-T611 VanDerWaalsContact O-N 3.17Å; T611-D613 PolarHBondContact O-N 3.11Å; T611-F614 WeakPolarHBondContact O-CB 3.44Å; T611-F614 PolarHBondContact O-N 3.1Å; T611-F614 PolarHBondContact OG1-N 3.04Å |
| 612 | P | 83 | Confident | 80.4 | Confident | 113 Ų | 113 | 111.4 Ų | 111.4 | 73% | 0.734 | 59% | 0.592 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -65.6 | -14.7 | 174.2 | 27.5 | -35.9 | 0 | 0 | 0 | 113.6 | | |
| 613 | D | 81 | Confident | 80.5 | Confident | 86 Ų | 86 | 118.4 Ų | 118.4 | 46% | 0.46 | 61% | 0.612 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -88.8 | -1.8 | 170.5 | -64.5 | -65.1 | 0 | 0 | 0 | 113 | T611 E615 K616 | T611-D613 PolarHBondContact O-N 3.11Å; D613-E615 VanDerWaalsContact C-N 3.28Å; D613-E615 PolarHBondContact O-N 2.77Å; D613-K616 HydrophobicContact CB-CD 4.37Å; D613-K616 WeakPolarHBondContact O-CB 3.41Å; D613-K616 PolarHBondContact O-N 2.71Å; D613-K616 WeakPolarHBondContact OD1-CE 3.48Å; D613-K616 IonicContact OD1-NZ 2.95Å; D613-K616 PolarHBondContact OD1-NZ 2.79Å |
| 614 | F | 81.9 | Confident | 80.5 | Confident | 48 Ų | 48 | 117.7 Ų | 117.7 | 21% | 0.211 | 62% | 0.62 | C | S | . | * | G | 310 helix | trans | -60.5 | -37.9 | -178 | -175.2 | -94.2 | 0 | 0 | 0 | 112.3 | V609 T611 K616 N617 V620 | V609-F614 HydrophobicContact CG1-CE2 3.95Å; V609-F614 VanDerWaalsContact O-CD2 3.26Å; V609-F614 WeakPolarHBondContact O-CD2 3.27Å; T611-F614 WeakPolarHBondContact O-CB 3.44Å; T611-F614 PolarHBondContact O-N 3.1Å; T611-F614 PolarHBondContact OG1-N 3.04Å; F614-K616 PolarHBondContact O-N 3.06Å; F614-K616 VanDerWaalsContact O-N 3.13Å; F614-N617 WeakPolarHBondContact CA-ND2 3.22Å; F614-N617 WeakPolarHBondContact O-CB 3.39Å; F614-N617 PolarHBondContact O-N 3.03Å; F614-N617 PolarHBondContact O-ND2 3.37Å; F614-V620 HydrophobicContact CE1-CG2 4.17Å; F614-V620 HydrophobicContact CE2-CG1 4.18Å; F614-V620 HydrophobicContact CZ-CB 4.25Å; F614-V620 HydrophobicContact CZ-CG1 3.78Å; F614-V620 HydrophobicContact CZ-CG2 3.7Å |
| 615 | E | 83.3 | Confident | 80.9 | Confident | 182 Ų | 182 | 115.5 Ų | 115.5 | 85% | 0.85 | 61% | 0.606 | S | S | * | * | G | 310 helix | trans | -60.4 | -18.3 | 176.1 | -62.7 | 173 | -171.5 | 0 | 0 | 113.6 | D613 | D613-E615 VanDerWaalsContact C-N 3.28Å; D613-E615 PolarHBondContact O-N 2.77Å |
| 616 | K | 85.9 | Confident | 81.5 | Confident | 158 Ų | 158 | 113.4 Ų | 113.4 | 69% | 0.687 | 60% | 0.6 | S | S | * | * | G | 310 helix | trans | -88.9 | -7.9 | 178.5 | -56.9 | 170.5 | -174.2 | 167.6 | 0 | 112.8 | D613 F614 | D613-K616 HydrophobicContact CB-CD 4.37Å; D613-K616 WeakPolarHBondContact O-CB 3.41Å; D613-K616 PolarHBondContact O-N 2.71Å; D613-K616 WeakPolarHBondContact OD1-CE 3.48Å; D613-K616 IonicContact OD1-NZ 2.95Å; D613-K616 PolarHBondContact OD1-NZ 2.79Å; F614-K616 PolarHBondContact O-N 3.06Å; F614-K616 VanDerWaalsContact O-N 3.13Å |
| 617 | N | 80.7 | Confident | 82.3 | Confident | 88 Ų | 88 | 114.9 Ų | 114.9 | 47% | 0.471 | 60% | 0.604 | S | S | . | * | | | trans | -84.3 | 119.9 | 178.8 | -63.4 | -52.5 | 0 | 0 | 0 | 110.2 | F614 C619 | F614-N617 WeakPolarHBondContact CA-ND2 3.22Å; F614-N617 WeakPolarHBondContact O-CB 3.39Å; F614-N617 PolarHBondContact O-N 3.03Å; F614-N617 PolarHBondContact O-ND2 3.37Å; N617-C619 PolarHBondContact O-N 2.61Å |
| 618 | H | 80.1 | Confident | 83 | Confident | 200 Ų | 200 | 114.1 Ų | 114.1 | 93% | 0.926 | 60% | 0.598 | S | S | * | * | S | Bend | trans | -63.4 | -11.4 | -179.2 | -154.8 | -42.5 | 0 | 0 | 0 | 114 | | |
| 619 | C | 80.1 | Confident | 83.5 | Confident | 105 Ų | 105 | 116.3 Ų | 116.3 | 71% | 0.709 | 60% | 0.601 | S | S | * | * | S | Bend | trans | -154.8 | 149.1 | 170.8 | -174.8 | 0 | 0 | 0 | 0 | 109.6 | N617 | N617-C619 PolarHBondContact O-N 2.61Š|
| 620 | V | 81.4 | Confident | 84.5 | Confident | 88 Ų | 88 | 114.2 Ų | 114.2 | 53% | 0.533 | 59% | 0.586 | S | S | . | * | P | Polyproline II helix | trans | -70.1 | 132.9 | 174.7 | -179.7 | 0 | 0 | 0 | 0 | 109.8 | F614 | F614-V620 HydrophobicContact CE1-CG2 4.17Å; F614-V620 HydrophobicContact CE2-CG1 4.18Å; F614-V620 HydrophobicContact CZ-CB 4.25Å; F614-V620 HydrophobicContact CZ-CG1 3.78Å; F614-V620 HydrophobicContact CZ-CG2 3.7Å |
| 621 | P | 78.8 | Confident | 85.1 | Confident | 83 Ų | 83 | 113.1 Ų | 113.1 | 54% | 0.539 | 58% | 0.578 | S | S | . | * | P | Polyproline II helix | trans | -57 | 133.6 | 174.1 | -25.4 | 34.9 | 0 | 0 | 0 | 111.7 | | |
| 622 | P | 81.7 | Confident | 85.7 | Confident | 88 Ų | 88 | 115 Ų | 115 | 57% | 0.571 | 58% | 0.581 | S | S | * | * | P | Polyproline II helix | trans | -64.4 | 138.4 | -177.2 | 26.7 | -34.9 | 0 | 0 | 0 | 111.3 | S624 | P622-S624 PolarHBondContact O-N 2.76Å; P622-S624 VanDerWaalsContact O-N 3.12Å |
| 623 | Y | 79.2 | Confident | 86.1 | Confident | 240 Ų | 240 | 113.8 Ų | 113.8 | 94% | 0.941 | 56% | 0.564 | S | S | * | * | S | Bend | trans | -56.5 | -30.4 | -175.2 | 178.4 | -102.6 | 0 | 0 | 0 | 114 | | |
| 624 | S | 83.1 | Confident | 86.6 | Confident | 92 Ų | 92 | 116.8 Ų | 116.8 | 64% | 0.643 | 57% | 0.569 | S | S | * | * | S | Bend | trans | -142.4 | 151.6 | 165.6 | 63.5 | 0 | 0 | 0 | 0 | 111.3 | P622 | P622-S624 PolarHBondContact O-N 2.76Å; P622-S624 VanDerWaalsContact O-N 3.12Å |
| 625 | E | 86.5 | Confident | 87.1 | Confident | 78 Ų | 78 | 119.9 Ų | 119.9 | 36% | 0.364 | 58% | 0.579 | S | S | . | * | | | trans | -85.8 | 133.4 | 177.3 | -63.9 | -168.7 | -156.3 | 0 | 0 | 111.3 | L630 K633 | E625-L630 HydrophobicContact CB-CD1 4.36Å; E625-L630 HydrophobicContact CB-CD2 3.96Å; E625-L630 HydrophobicContact CB-CG 3.87Å; E625-L630 WeakPolarHBondContact OE2-CD2 3.34Å; E625-K633 IonicContact OE1-NZ 2.62Å; E625-K633 PolarHBondContact OE1-NZ 3.46Å; E625-K633 WeakPolarHBondContact OE2-CD 3.49Å; E625-K633 WeakPolarHBondContact OE2-CE 3.37Å; E625-K633 IonicContact OE2-NZ 3.73Å; E625-K633 PolarHBondContact OE2-NZ 3.38Å |
| 626 | S | 92.4 | Very high | 87.5 | Confident | 63 Ų | 63 | 115 Ų | 115 | 44% | 0.441 | 56% | 0.556 | S | S | . | * | | | trans | -60.4 | 145.4 | 175.3 | 169.7 | 0 | 0 | 0 | 0 | 111.3 | Y628 Q629 L630 | S626-Y628 PolarHBondContact O-N 3Å; S626-Y628 PolarHBondContact OG-N 2.79Å; S626-Q629 WeakPolarHBondContact O-CA 3.44Å; S626-Q629 WeakPolarHBondContact O-CB 3.4Å; S626-Q629 PolarHBondContact O-N 3.49Å; S626-L630 PolarHBondContact O-N 3.12Å |
| 627 | K | 92.8 | Very high | 87.7 | Confident | 192 Ų | 192 | 112.6 Ų | 112.6 | 84% | 0.835 | 55% | 0.547 | S | S | * | . | H | α-helix | trans | -48.9 | -36 | 172.6 | -66.9 | 179.2 | -178.9 | 174.2 | 0 | 111.9 | Q631 | K627-Q631 WeakPolarHBondContact O-CB 3.19Å; K627-Q631 PolarHBondContact O-N 3.39Å |
| 628 | Y | 93.8 | Very high | 88 | Confident | 149 Ų | 149 | 117.2 Ų | 117.2 | 58% | 0.584 | 56% | 0.558 | S | S | * | * | H | α-helix | trans | -69.7 | -42.4 | 175.7 | 179 | -97.3 | 0 | 0 | 0 | 113 | S626 Q631 K632 | S626-Y628 PolarHBondContact O-N 3Å; S626-Y628 PolarHBondContact OG-N 2.79Å; Y628-Q631 PolarHBondContact O-N 3.17Å; Y628-K632 WeakPolarHBondContact O-CB 3.49Å; Y628-K632 PolarHBondContact O-N 3.36Å |
| 629 | Q | 92.9 | Very high | 88.4 | Confident | 86 Ų | 86 | 112.7 Ų | 112.7 | 40% | 0.402 | 54% | 0.538 | S | S | . | . | H | α-helix | trans | -62.6 | -44.8 | 176.1 | -68.9 | 167.8 | -17 | 0 | 0 | 110.8 | S626 Q631 K632 K633 | S626-Q629 WeakPolarHBondContact O-CA 3.44Å; S626-Q629 WeakPolarHBondContact O-CB 3.4Å; S626-Q629 PolarHBondContact O-N 3.49Å; Q629-Q631 PolarHBondContact O-N 3.19Å; Q629-K632 WeakPolarHBondContact O-CB 3.31Å; Q629-K632 PolarHBondContact O-N 2.65Å; Q629-K633 WeakPolarHBondContact O-CG 3.37Å; Q629-K633 PolarHBondContact O-N 3.49Å |
| 630 | L | 92.1 | Very high | 88.9 | Confident | 67 Ų | 67 | 113.8 Ų | 113.8 | 35% | 0.351 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -61.6 | -40.9 | 174.1 | -67.9 | 170.5 | 0 | 0 | 0 | 112 | E625 S626 R634 | E625-L630 HydrophobicContact CB-CD1 4.36Å; E625-L630 HydrophobicContact CB-CD2 3.96Å; E625-L630 HydrophobicContact CB-CG 3.87Å; E625-L630 WeakPolarHBondContact OE2-CD2 3.34Å; S626-L630 PolarHBondContact O-N 3.12Å; L630-R634 WeakPolarHBondContact O-CB 3.39Å; L630-R634 WeakPolarHBondContact O-CD 3.1Å; L630-R634 WeakPolarHBondContact O-CG 3.33Å; L630-R634 PolarHBondContact O-N 3.49Å |
| 631 | Q | 93.8 | Very high | 89.4 | Confident | 106 Ų | 106 | 111.4 Ų | 111.4 | 50% | 0.495 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -66.7 | -37.6 | 175 | -162.3 | -168.1 | 56.8 | 0 | 0 | 112 | K627 Y628 Q629 R635 | K627-Q631 WeakPolarHBondContact O-CB 3.19Å; K627-Q631 PolarHBondContact O-N 3.39Å; Y628-Q631 PolarHBondContact O-N 3.17Å; Q629-Q631 PolarHBondContact O-N 3.19Å; Q631-R635 WeakPolarHBondContact O-CB 3.47Å; Q631-R635 PolarHBondContact O-N 3.44Å |
| 632 | K | 94.8 | Very high | 90 | Very high | 104 Ų | 104 | 108.8 Ų | 108.8 | 45% | 0.452 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -64.3 | -50.1 | 175 | -176.6 | -178.1 | 174.1 | -175.6 | 0 | 111.2 | Y628 Q629 R634 R635 E636 | Y628-K632 WeakPolarHBondContact O-CB 3.49Å; Y628-K632 PolarHBondContact O-N 3.36Å; Q629-K632 WeakPolarHBondContact O-CB 3.31Å; Q629-K632 PolarHBondContact O-N 2.65Å; K632-R634 PolarHBondContact O-N 3Å; K632-R635 CarbonylContact O-C 3.33Å; K632-R635 WeakPolarHBondContact O-CA 3.46Å; K632-R635 WeakPolarHBondContact O-CB 3.21Å; K632-R635 PolarHBondContact O-N 3.12Å; K632-E636 WeakPolarHBondContact CE-OE1 3.37Å; K632-E636 WeakPolarHBondContact CG-OE1 3.36Å; K632-E636 WeakPolarHBondContact O-CG 3.47Å; K632-E636 PolarHBondContact O-N 2.96Å |
| 633 | K | 92.3 | Very high | 90.4 | Very high | 87 Ų | 87 | 106.2 Ų | 106.2 | 38% | 0.378 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -55.9 | -49.2 | 174.4 | -72.9 | -177.4 | 178.7 | -176.7 | 0 | 111.8 | E625 Q629 R635 E636 E637 | E625-K633 IonicContact OE1-NZ 2.62Å; E625-K633 PolarHBondContact OE1-NZ 3.46Å; E625-K633 WeakPolarHBondContact OE2-CD 3.49Å; E625-K633 WeakPolarHBondContact OE2-CE 3.37Å; E625-K633 IonicContact OE2-NZ 3.73Å; E625-K633 PolarHBondContact OE2-NZ 3.38Å; Q629-K633 WeakPolarHBondContact O-CG 3.37Å; Q629-K633 PolarHBondContact O-N 3.49Å; K633-R635 VanDerWaalsContact C-N 3.25Å; K633-R635 PolarHBondContact O-N 3.18Å; K633-E636 PolarHBondContact O-N 2.95Å; K633-E636 VanDerWaalsContact O-N 3.08Å; K633-E637 WeakPolarHBondContact O-CB 3.19Å; K633-E637 VanDerWaalsContact O-CG 3.31Å; K633-E637 WeakPolarHBondContact O-CG 3.43Å; K633-E637 PolarHBondContact O-N 3.26Å |
| 634 | R | 92.3 | Very high | 91 | Very high | 148 Ų | 148 | 102 Ų | 102 | 56% | 0.558 | 48% | 0.484 | S | S | * | . | H | α-helix | trans | -58.9 | -32.9 | 174.3 | -72.2 | 169.9 | 179.9 | -176.6 | 0.6 | 113.1 | L630 K632 E637 R638 | L630-R634 WeakPolarHBondContact O-CB 3.39Å; L630-R634 WeakPolarHBondContact O-CD 3.1Å; L630-R634 WeakPolarHBondContact O-CG 3.33Å; L630-R634 PolarHBondContact O-N 3.49Å; K632-R634 PolarHBondContact O-N 3Å; R634-E637 WeakPolarHBondContact CA-OE2 3.47Å; R634-R638 WeakPolarHBondContact O-CD 3.26Å; R634-R638 WeakPolarHBondContact O-CG 3.3Å; R634-R638 PolarHBondContact O-N 3.3Å |
| 635 | R | 92.3 | Very high | 91.5 | Very high | 114 Ų | 114 | 100.9 Ų | 100.9 | 43% | 0.43 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -72.4 | -40.5 | 175 | -171 | -177 | -69.2 | 139.9 | 0.9 | 111.2 | Q631 K632 K633 R638 Q639 | Q631-R635 WeakPolarHBondContact O-CB 3.47Å; Q631-R635 PolarHBondContact O-N 3.44Å; K632-R635 CarbonylContact O-C 3.33Å; K632-R635 WeakPolarHBondContact O-CA 3.46Å; K632-R635 WeakPolarHBondContact O-CB 3.21Å; K632-R635 PolarHBondContact O-N 3.12Å; K633-R635 VanDerWaalsContact C-N 3.25Å; K633-R635 PolarHBondContact O-N 3.18Å; R635-R638 PolarHBondContact O-N 2.89Å; R635-Q639 WeakPolarHBondContact O-CB 3.48Å; R635-Q639 VanDerWaalsContact O-CG 3.3Å; R635-Q639 WeakPolarHBondContact O-CG 3.39Å; R635-Q639 PolarHBondContact O-N 2.78Å |
| 636 | E | 91.2 | Very high | 91.8 | Very high | 78 Ų | 78 | 105.4 Ų | 105.4 | 36% | 0.364 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -67.4 | -41.9 | 175.9 | -70.3 | 169.1 | -166.9 | 0 | 0 | 112.3 | K632 K633 Q639 K640 | K632-E636 WeakPolarHBondContact CE-OE1 3.37Å; K632-E636 WeakPolarHBondContact CG-OE1 3.36Å; K632-E636 WeakPolarHBondContact O-CG 3.47Å; K632-E636 PolarHBondContact O-N 2.96Å; K633-E636 PolarHBondContact O-N 2.95Å; K633-E636 VanDerWaalsContact O-N 3.08Å; E636-Q639 CarbonylContact O-C 3.59Å; E636-Q639 PolarHBondContact O-N 2.79Å; E636-Q639 VanDerWaalsContact O-N 3.09Å; E636-K640 WeakPolarHBondContact O-CG 3.36Å; E636-K640 PolarHBondContact O-N 3.42Å |
| 637 | E | 89.3 | Confident | 91.9 | Very high | 108 Ų | 108 | 112.1 Ų | 112.1 | 51% | 0.505 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -58.4 | -46.3 | 172.8 | -72.7 | 161.3 | -179.5 | 0 | 0 | 111.9 | K633 R634 Q639 K640 T641 | K633-E637 WeakPolarHBondContact O-CB 3.19Å; K633-E637 VanDerWaalsContact O-CG 3.31Å; K633-E637 WeakPolarHBondContact O-CG 3.43Å; K633-E637 PolarHBondContact O-N 3.26Å; R634-E637 WeakPolarHBondContact CA-OE2 3.47Å; E637-Q639 VanDerWaalsContact C-N 3.34Å; E637-Q639 PolarHBondContact O-N 2.98Å; E637-K640 PolarHBondContact O-N 3.05Å; E637-T641 PolarHBondContact O-OG1 2.95Å |
| 638 | R | 88.4 | Confident | 91.8 | Very high | 185 Ų | 185 | 104.6 Ų | 104.6 | 70% | 0.698 | 50% | 0.501 | S | S | * | . | H | α-helix | trans | -60.2 | -42.9 | 170.5 | -69.9 | 170.6 | -155.8 | -168.1 | 3.2 | 111.3 | R634 R635 K640 T641 | R634-R638 WeakPolarHBondContact O-CD 3.26Å; R634-R638 WeakPolarHBondContact O-CG 3.3Å; R634-R638 PolarHBondContact O-N 3.3Å; R635-R638 PolarHBondContact O-N 2.89Å; R638-K640 VanDerWaalsContact C-N 3.31Å; R638-K640 PolarHBondContact O-N 3.33Å; R638-T641 CarbonylContact O-C 3.55Å; R638-T641 PolarHBondContact O-N 3.44Å; R638-T641 VanDerWaalsContact O-N 3.12Å |
| 639 | Q | 88.4 | Confident | 91.7 | Very high | 106 Ų | 106 | 98.8 Ų | 98.8 | 50% | 0.495 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -70.6 | -17.9 | -179.1 | -77.7 | -175.5 | 24.3 | 0 | 0 | 115.3 | R635 E636 E637 T641 K687 Y688 | R635-Q639 WeakPolarHBondContact O-CB 3.48Å; R635-Q639 VanDerWaalsContact O-CG 3.3Å; R635-Q639 WeakPolarHBondContact O-CG 3.39Å; R635-Q639 PolarHBondContact O-N 2.78Å; E636-Q639 CarbonylContact O-C 3.59Å; E636-Q639 PolarHBondContact O-N 2.79Å; E636-Q639 VanDerWaalsContact O-N 3.09Å; E637-Q639 VanDerWaalsContact C-N 3.34Å; E637-Q639 PolarHBondContact O-N 2.98Å; Q639-T641 PolarHBondContact O-N 3.17Å; Q639-K687 PolarHBondContact O-NZ 3.31Å; Q639-Y688 PolarHBondContact O-OH 2.92Å |
| 640 | K | 89.1 | Confident | 91.7 | Very high | 128 Ų | 128 | 102.2 Ų | 102.2 | 56% | 0.557 | 49% | 0.492 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -71.8 | -10.3 | 170.4 | -69.9 | 162.8 | -169 | 170.9 | 0 | 112.4 | E636 E637 R638 K650 A651 | E636-K640 WeakPolarHBondContact O-CG 3.36Å; E636-K640 PolarHBondContact O-N 3.42Å; E637-K640 PolarHBondContact O-N 3.05Å; R638-K640 VanDerWaalsContact C-N 3.31Å; R638-K640 PolarHBondContact O-N 3.33Å; K640-K650 WeakPolarHBondContact O-CA 3.38Å; K640-A651 PolarHBondContact O-N 3.25Å |
| 641 | T | 92.6 | Very high | 91.6 | Very high | 37 Ų | 37 | 100.8 Ų | 100.8 | 23% | 0.227 | 49% | 0.491 | C | S | . | . | B | Isolated β-bridge | trans | -137.7 | 151.4 | -162.8 | -40.9 | 0 | 0 | 0 | 0 | 111.2 | E637 R638 Q639 G643 G648 M649 Y688 | E637-T641 PolarHBondContact O-OG1 2.95Å; R638-T641 CarbonylContact O-C 3.55Å; R638-T641 PolarHBondContact O-N 3.44Å; R638-T641 VanDerWaalsContact O-N 3.12Å; Q639-T641 PolarHBondContact O-N 3.17Å; T641-G643 PolarHBondContact O-N 2.78Å; T641-G648 VanDerWaalsContact CG2-CA 3.48Å; T641-G648 WeakPolarHBondContact CG2-O 3.43Å; T641-M649 CarbonylContact C-O 3.55Å; T641-Y688 VanDerWaalsContact C-CE1 3.42Å; T641-Y688 WeakPolarHBondContact O-CE1 3.44Å; T641-Y688 PolarHBondContact O-OH 3.29Å |
| 642 | A | 91.1 | Very high | 91.5 | Very high | 29 Ų | 29 | 97.9 Ų | 97.9 | 24% | 0.24 | 48% | 0.481 | C | S | . | . | | | trans | -73 | -13.4 | 174.8 | 0 | 0 | 0 | 0 | 0 | 113.8 | W646 M649 Y688 | A642-W646 HydrophobicContact CB-CB 3.54Å; A642-W646 HydrophobicContact CB-CG 4.16Å; A642-M649 HydrophobicContact CB-CB 4.01Å; A642-M649 HydrophobicContact CB-CE 4.2Å; A642-M649 WeakPolarHBondContact CB-O 3.47Å; A642-M649 PolarHBondContact N-O 3.08Å; A642-Y688 HydrophobicContact CB-CD1 4.4Å; A642-Y688 HydrophobicContact CB-CD2 3.94Å; A642-Y688 HydrophobicContact CB-CG 3.87Å |
| 643 | G | 91.1 | Very high | 91.2 | Very high | 34 Ų | 34 | 101.1 Ų | 101.1 | 35% | 0.351 | 50% | 0.497 | S | S | . | . | | | trans | 102 | 176.9 | -174.2 | 0 | 0 | 0 | 0 | 0 | 113.2 | T641 W646 G648 | T641-G643 PolarHBondContact O-N 2.78Å; G643-W646 CarbonylContact O-C 3.54Å; G643-W646 PolarHBondContact O-N 3.14Å; G643-G648 PolarHBondContact O-N 2.84Å; G643-G648 VanDerWaalsContact O-N 3.14Å |
| 644 | D | 91.7 | Very high | 91.1 | Very high | 150 Ų | 150 | 100.1 Ų | 100.1 | 80% | 0.802 | 50% | 0.495 | S | S | * | . | G | 310 helix | trans | -68.9 | -41.5 | -175.3 | -171.6 | 56 | 0 | 0 | 0 | 112.7 | W646 F647 | D644-W646 PolarHBondContact O-N 3.39Å; D644-F647 PolarHBondContact O-N 3.09Å |
| 645 | G | 93.3 | Very high | 91.3 | Very high | 70 Ų | 70 | 96.5 Ų | 96.5 | 72% | 0.722 | 49% | 0.489 | S | S | * | . | G | 310 helix | trans | -64 | 2.9 | 171.9 | 0 | 0 | 0 | 0 | 0 | 115.6 | | |
| 646 | W | 92.7 | Very high | 91.3 | Very high | 173 Ų | 173 | 96.5 Ų | 96.5 | 66% | 0.655 | 50% | 0.498 | S | S | * | . | G | 310 helix | trans | -128.6 | 31.5 | 168.1 | -85.4 | 89.7 | 0 | 0 | 0 | 111.6 | A642 G643 D644 G648 M649 | A642-W646 HydrophobicContact CB-CB 3.54Å; A642-W646 HydrophobicContact CB-CG 4.16Å; G643-W646 CarbonylContact O-C 3.54Å; G643-W646 PolarHBondContact O-N 3.14Å; D644-W646 PolarHBondContact O-N 3.39Å; W646-G648 PolarHBondContact O-N 2.96Å; W646-G648 VanDerWaalsContact O-N 3.08Å; W646-M649 HydrophobicContact CD2-CE 4.11Å; W646-M649 HydrophobicContact CE3-CE 3.51Å; W646-M649 HydrophobicContact CZ3-CE 4.03Å; W646-M649 VanDerWaalsContact O-CB 3.31Å; W646-M649 WeakPolarHBondContact O-CB 3.47Å; W646-M649 PolarHBondContact O-N 2.78Å |
| 647 | F | 93.5 | Very high | 91.4 | Very high | 204 Ų | 204 | 99.1 Ų | 99.1 | 90% | 0.895 | 51% | 0.51 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 50.1 | 34.8 | 175.1 | -56.8 | -74.5 | 0 | 0 | 0 | 114.5 | D644 M649 | D644-F647 PolarHBondContact O-N 3.09Å; F647-M649 VanDerWaalsContact C-N 3.33Å; F647-M649 PolarHBondContact O-N 2.9Å |
| 648 | G | 90.6 | Very high | 91.7 | Very high | 34 Ų | 34 | 94.8 Ų | 94.8 | 35% | 0.351 | 49% | 0.49 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 69.2 | 25.7 | -179 | 0 | 0 | 0 | 0 | 0 | 114.5 | T641 G643 W646 K650 | T641-G648 VanDerWaalsContact CG2-CA 3.48Å; T641-G648 WeakPolarHBondContact CG2-O 3.43Å; G643-G648 PolarHBondContact O-N 2.84Å; G643-G648 VanDerWaalsContact O-N 3.14Å; W646-G648 PolarHBondContact O-N 2.96Å; W646-G648 VanDerWaalsContact O-N 3.08Å; G648-K650 PolarHBondContact O-N 2.89Å |
| 649 | M | 92.5 | Very high | 91.9 | Very high | 26 Ų | 26 | 89.9 Ų | 89.9 | 13% | 0.128 | 47% | 0.474 | C | S | . | . | | | trans | -56.1 | 109.8 | 177.7 | 175 | 165.7 | 64.6 | 0 | 0 | 111.6 | T641 A642 W646 F647 Q690 | T641-M649 CarbonylContact C-O 3.55Å; A642-M649 HydrophobicContact CB-CB 4.01Å; A642-M649 HydrophobicContact CB-CE 4.2Å; A642-M649 WeakPolarHBondContact CB-O 3.47Å; A642-M649 PolarHBondContact N-O 3.08Å; W646-M649 HydrophobicContact CD2-CE 4.11Å; W646-M649 HydrophobicContact CE3-CE 3.51Å; W646-M649 HydrophobicContact CZ3-CE 4.03Å; W646-M649 VanDerWaalsContact O-CB 3.31Å; W646-M649 WeakPolarHBondContact O-CB 3.47Å; W646-M649 PolarHBondContact O-N 2.78Å; F647-M649 VanDerWaalsContact C-N 3.33Å; F647-M649 PolarHBondContact O-N 2.9Å; M649-Q690 HydrophobicContact CG-CG 3.94Å; M649-Q690 HydrophobicContact SD-CG 4Å |
| 650 | K | 91.8 | Very high | 92.2 | Very high | 158 Ų | 158 | 89 Ų | 89 | 69% | 0.687 | 47% | 0.473 | S | S | * | . | B | Isolated β-bridge | trans | -67.8 | 154.6 | 178.3 | -60.6 | -179.6 | -179 | 178.9 | 0 | 111.7 | K640 G648 P652 | K640-K650 WeakPolarHBondContact O-CA 3.38Å; G648-K650 PolarHBondContact O-N 2.89Å; K650-P652 WeakPolarHBondContact O-CD 3.29Å |
| 651 | A | 91.7 | Very high | 92.5 | Very high | 38 Ų | 38 | 83.4 Ų | 83.4 | 31% | 0.314 | 45% | 0.449 | S | S | . | . | P | Polyproline II helix | trans | -78.1 | 120 | 163.5 | 0 | 0 | 0 | 0 | 0 | 109.9 | K640 K687 Y688 | K640-A651 PolarHBondContact O-N 3.25Å; A651-K687 WeakPolarHBondContact CB-O 3.48Å; A651-Y688 HydrophobicContact CB-CD1 3.7Å; A651-Y688 HydrophobicContact CB-CE1 3.94Å |
| 652 | P | 90.8 | Very high | 92.6 | Very high | 44 Ų | 44 | 82.5 Ų | 82.5 | 29% | 0.286 | 44% | 0.443 | S | S | . | . | P | Polyproline II helix | trans | -72.8 | 151.9 | 173.8 | -18.5 | 34.5 | 0 | 0 | 0 | 111.9 | K650 L658 F689 | K650-P652 WeakPolarHBondContact O-CD 3.29Å; P652-L658 HydrophobicContact CB-CD2 4.21Å; P652-F689 HydrophobicContact CB-CE2 4.1Å; P652-F689 HydrophobicContact CB-CZ 3.96Å; P652-F689 WeakPolarHBondContact CD-O 3.27Å; P652-F689 HydrophobicContact CG-CD2 4.02Å; P652-F689 HydrophobicContact CG-CE1 4.22Å; P652-F689 HydrophobicContact CG-CE2 3.66Å; P652-F689 HydrophobicContact CG-CG 4.41Å; P652-F689 HydrophobicContact CG-CZ 3.78Å; P652-F689 WeakPolarHBondContact CG-O 3.32Å |
| 653 | E | 89.5 | Confident | 92.7 | Very high | 172 Ų | 172 | 86.7 Ų | 86.7 | 80% | 0.804 | 46% | 0.455 | S | S | * | . | P | Polyproline II helix | trans | -67.8 | 132.8 | 170.4 | -68.6 | -179.9 | -164.1 | 0 | 0 | 110.7 | T655 | E653-T655 VanDerWaalsContact C-N 3.28Å; E653-T655 PolarHBondContact O-N 3.01Å |
| 654 | M | 90.3 | Very high | 92.8 | Very high | 67 Ų | 67 | 85.6 Ų | 85.6 | 33% | 0.33 | 44% | 0.443 | S | S | . | . | | | trans | -80.6 | 71.4 | -172.6 | -68.4 | -66.7 | -67.5 | 0 | 0 | 111.6 | K659 L662 F685 F689 | M654-K659 HydrophobicContact CE-CG 4.02Å; M654-K659 WeakPolarHBondContact O-CE 3.37Å; M654-K659 PolarHBondContact O-NZ 2.87Å; M654-L662 HydrophobicContact CE-CD1 3.73Å; M654-L662 HydrophobicContact SD-CD1 4.19Å; M654-F685 HydrophobicContact CE-CB 4.21Å; M654-F685 HydrophobicContact CE-CD2 3.71Å; M654-F685 HydrophobicContact CE-CE2 4.45Å; M654-F685 HydrophobicContact CE-CG 4.26Å; M654-F689 HydrophobicContact SD-CE1 3.8Å; M654-F689 HydrophobicContact SD-CZ 3.83Å |
| 655 | T | 94.8 | Very high | 92.9 | Very high | 71 Ų | 71 | 82.5 Ų | 82.5 | 44% | 0.436 | 43% | 0.426 | S | S | . | . | | | trans | -61.8 | 161.5 | 174.2 | 75.5 | 0 | 0 | 0 | 0 | 111.7 | E653 L658 K659 | E653-T655 VanDerWaalsContact C-N 3.28Å; E653-T655 PolarHBondContact O-N 3.01Å; T655-L658 PolarHBondContact O-N 2.72Å; T655-L658 VanDerWaalsContact OG1-CB 3.27Å; T655-L658 WeakPolarHBondContact OG1-CB 3.42Å; T655-L658 PolarHBondContact OG1-N 3.26Å; T655-K659 WeakPolarHBondContact O-CG 3.48Å; T655-K659 PolarHBondContact O-N 3.2Å |
| 656 | N | 94.1 | Very high | 92.9 | Very high | 114 Ų | 114 | 83 Ų | 83 | 61% | 0.61 | 41% | 0.409 | S | S | * | . | H | α-helix | trans | -71 | -33.5 | -177.2 | -67.2 | -23 | 0 | 0 | 0 | 112.8 | L658 K659 N660 | N656-L658 VanDerWaalsContact C-N 3.35Å; N656-K659 PolarHBondContact OD1-NZ 2.82Å; N656-K659 VanDerWaalsContact OD1-NZ 3.17Å; N656-N660 PolarHBondContact O-N 3.46Å; N656-N660 VanDerWaalsContact O-N 3.08Å; N656-N660 PolarHBondContact O-ND2 2.88Å; N656-N660 VanDerWaalsContact O-ND2 3.14Å |
| 657 | E | 93.3 | Very high | 92.9 | Very high | 134 Ų | 134 | 79.4 Ų | 79.4 | 63% | 0.626 | 40% | 0.4 | S | S | * | . | H | α-helix | trans | -60.6 | -45.8 | 170.2 | -62.2 | 179.5 | 175.5 | 0 | 0 | 110.9 | N660 D661 T714 | E657-N660 WeakPolarHBondContact O-CA 3.02Å; E657-N660 WeakPolarHBondContact O-CB 3.49Å; E657-N660 PolarHBondContact O-N 2.72Å; E657-D661 PolarHBondContact O-N 3.36Å; E657-T714 HydrophobicContact CB-CG2 4.46Å |
| 658 | L | 94 | Very high | 92.9 | Very high | 17 Ų | 17 | 74 Ų | 74 | 9% | 0.089 | 37% | 0.374 | C | S | . | . | H | α-helix | trans | -69.8 | -37.8 | -178.1 | -170.5 | 45.3 | 0 | 0 | 0 | 113 | P652 T655 N656 N660 D661 L662 F689 I691 | P652-L658 HydrophobicContact CB-CD2 4.21Å; T655-L658 PolarHBondContact O-N 2.72Å; T655-L658 VanDerWaalsContact OG1-CB 3.27Å; T655-L658 WeakPolarHBondContact OG1-CB 3.42Å; T655-L658 PolarHBondContact OG1-N 3.26Å; N656-L658 VanDerWaalsContact C-N 3.35Å; L658-N660 PolarHBondContact O-N 2.91Å; L658-D661 PolarHBondContact O-N 3.25Å; L658-L662 HydrophobicContact CD1-CD1 4.32Å; L658-L662 HydrophobicContact CD1-CG 4.33Å; L658-L662 HydrophobicContact CG-CD1 4.23Å; L658-L662 WeakPolarHBondContact O-CB 3.22Å; L658-L662 VanDerWaalsContact O-CG 3.26Å; L658-L662 WeakPolarHBondContact O-CG 3.42Å; L658-L662 PolarHBondContact O-N 2.84Å; L658-F689 HydrophobicContact CD1-CE2 3.8Å; L658-F689 HydrophobicContact CD1-CZ 4.28Å; L658-F689 HydrophobicContact CD2-CE2 3.72Å; L658-F689 HydrophobicContact CD2-CZ 3.72Å; L658-F689 HydrophobicContact CG-CE2 3.94Å; L658-F689 HydrophobicContact CG-CZ 3.95Å; L658-I691 HydrophobicContact CD1-CD1 3.54Å; L658-I691 HydrophobicContact CD1-CG1 4.03Å; L658-I691 HydrophobicContact CD2-CD1 4.1Å; L658-I691 HydrophobicContact CG-CD1 4.41Å |
| 659 | K | 94.1 | Very high | 93 | Very high | 82 Ų | 82 | 75.5 Ų | 75.5 | 36% | 0.357 | 38% | 0.383 | S | S | . | . | H | α-helix | trans | -58.7 | -36.6 | 167.6 | -73.2 | 160.5 | 174.9 | 142.2 | 0 | 111.8 | M654 T655 N656 K663 | M654-K659 HydrophobicContact CE-CG 4.02Å; M654-K659 WeakPolarHBondContact O-CE 3.37Å; M654-K659 PolarHBondContact O-NZ 2.87Å; T655-K659 WeakPolarHBondContact O-CG 3.48Å; T655-K659 PolarHBondContact O-N 3.2Å; N656-K659 PolarHBondContact OD1-NZ 2.82Å; N656-K659 VanDerWaalsContact OD1-NZ 3.17Å; K659-K663 WeakPolarHBondContact O-CB 3.46Å; K659-K663 PolarHBondContact O-N 2.67Å |
| 660 | N | 94.6 | Very high | 93 | Very high | 86 Ų | 86 | 77.6 Ų | 77.6 | 46% | 0.46 | 40% | 0.4 | S | S | . | . | H | α-helix | trans | -71.6 | -45.1 | 177.6 | -71.3 | -30.1 | 0 | 0 | 0 | 111.8 | N656 E657 L658 K663 A664 V716 | N656-N660 PolarHBondContact O-N 3.46Å; N656-N660 VanDerWaalsContact O-N 3.08Å; N656-N660 PolarHBondContact O-ND2 2.88Å; N656-N660 VanDerWaalsContact O-ND2 3.14Å; E657-N660 WeakPolarHBondContact O-CA 3.02Å; E657-N660 WeakPolarHBondContact O-CB 3.49Å; E657-N660 PolarHBondContact O-N 2.72Å; L658-N660 PolarHBondContact O-N 2.91Å; N660-K663 WeakPolarHBondContact O-CB 3.32Å; N660-K663 PolarHBondContact O-N 3.17Å; N660-A664 WeakPolarHBondContact O-CB 3.47Å; N660-A664 PolarHBondContact O-N 3.33Å; N660-V716 HydrophobicContact CB-CG2 4.37Å |
| 661 | D | 94.7 | Very high | 92.9 | Very high | 12 Ų | 12 | 72 Ų | 72 | 6% | 0.064 | 38% | 0.377 | C | S | . | . | H | α-helix | trans | -62.6 | -44.1 | 175.7 | -88.2 | 8.2 | 0 | 0 | 0 | 112.1 | E657 L658 K663 A664 L665 T714 I715 V716 | E657-D661 PolarHBondContact O-N 3.36Å; L658-D661 PolarHBondContact O-N 3.25Å; D661-K663 VanDerWaalsContact C-N 3.32Å; D661-K663 PolarHBondContact O-N 2.92Å; D661-A664 WeakPolarHBondContact O-CB 3.39Å; D661-A664 PolarHBondContact O-N 3.06Å; D661-L665 WeakPolarHBondContact O-CG 3.06Å; D661-L665 PolarHBondContact O-N 3.06Å; D661-T714 WeakPolarHBondContact OD2-CA 3.46Å; D661-T714 VanDerWaalsContact OD2-CB 3.32Å; D661-T714 WeakPolarHBondContact OD2-CB 3.45Å; D661-I715 PolarHBondContact OD1-N 3.19Å; D661-I715 PolarHBondContact OD2-N 3.25Å; D661-V716 WeakPolarHBondContact OD1-CB 3.38Å; D661-V716 VanDerWaalsContact OD1-CG2 3.29Å; D661-V716 WeakPolarHBondContact OD1-CG2 3.13Å; D661-V716 PolarHBondContact OD1-N 3.33Å |
| 662 | L | 93.9 | Very high | 92.8 | Very high | 18 Ų | 18 | 72.5 Ų | 72.5 | 9% | 0.094 | 37% | 0.374 | C | S | . | . | H | α-helix | trans | -64.8 | -34.9 | 175.1 | -69.7 | 168.2 | 0 | 0 | 0 | 112.4 | M654 L658 L665 K666 F685 P686 F689 | M654-L662 HydrophobicContact CE-CD1 3.73Å; M654-L662 HydrophobicContact SD-CD1 4.19Å; L658-L662 HydrophobicContact CD1-CD1 4.32Å; L658-L662 HydrophobicContact CD1-CG 4.33Å; L658-L662 HydrophobicContact CG-CD1 4.23Å; L658-L662 WeakPolarHBondContact O-CB 3.22Å; L658-L662 VanDerWaalsContact O-CG 3.26Å; L658-L662 WeakPolarHBondContact O-CG 3.42Å; L658-L662 PolarHBondContact O-N 2.84Å; L662-L665 HydrophobicContact CD2-CD1 4.48Å; L662-K666 WeakPolarHBondContact O-CB 3.42Å; L662-K666 PolarHBondContact O-N 3.32Å; L662-F685 HydrophobicContact CB-CD1 3.66Å; L662-F685 HydrophobicContact CB-CE1 3.67Å; L662-F685 HydrophobicContact CB-CG 4.23Å; L662-F685 HydrophobicContact CB-CZ 4.25Å; L662-F685 HydrophobicContact CD1-CB 4.4Å; L662-F685 HydrophobicContact CD1-CG 4.36Å; L662-P686 HydrophobicContact CD2-CG 4.37Å; L662-F689 HydrophobicContact CD1-CE1 4.08Å; L662-F689 HydrophobicContact CD1-CE2 4.29Å; L662-F689 HydrophobicContact CD1-CZ 3.82Å |
| 663 | K | 93.6 | Very high | 92.8 | Very high | 116 Ų | 116 | 73.6 Ų | 73.6 | 50% | 0.504 | 38% | 0.382 | S | S | . | . | H | α-helix | trans | -68.3 | -40.2 | 172.3 | -176 | 178.1 | 179.3 | -179.4 | 0 | 111.7 | K659 N660 D661 K666 M667 F685 | K659-K663 WeakPolarHBondContact O-CB 3.46Å; K659-K663 PolarHBondContact O-N 2.67Å; N660-K663 WeakPolarHBondContact O-CB 3.32Å; N660-K663 PolarHBondContact O-N 3.17Å; D661-K663 VanDerWaalsContact C-N 3.32Å; D661-K663 PolarHBondContact O-N 2.92Å; K663-K666 PolarHBondContact O-N 3.4Å; K663-M667 HydrophobicContact CG-SD 4.19Å; K663-M667 WeakPolarHBondContact O-CB 3.45Å; K663-M667 WeakPolarHBondContact O-CG 3.44Å; K663-M667 PolarHBondContact O-N 3.04Å; K663-F685 HydrophobicContact CB-CE1 4.39Å; K663-F685 HydrophobicContact CB-CZ 4.14Å |
| 664 | A | 93.9 | Very high | 93 | Very high | 11 Ų | 11 | 74 Ų | 74 | 9% | 0.091 | 38% | 0.381 | C | S | . | . | H | α-helix | trans | -58.7 | -50.5 | 172.4 | 0 | 0 | 0 | 0 | 0 | 110.8 | N660 D661 K666 M667 R668 M671 V716 | N660-A664 WeakPolarHBondContact O-CB 3.47Å; N660-A664 PolarHBondContact O-N 3.33Å; D661-A664 WeakPolarHBondContact O-CB 3.39Å; D661-A664 PolarHBondContact O-N 3.06Å; A664-K666 VanDerWaalsContact C-N 3.35Å; A664-K666 PolarHBondContact O-N 3.34Å; A664-M667 CarbonylContact O-C 3.55Å; A664-M667 WeakPolarHBondContact O-CA 3.45Å; A664-M667 PolarHBondContact O-N 3.05Å; A664-R668 PolarHBondContact O-N 3.13Å; A664-M671 HydrophobicContact CB-CE 3.52Å; A664-M671 WeakPolarHBondContact O-CE 3.32Å; A664-V716 HydrophobicContact CB-CG2 3.78Å |
| 665 | L | 93.8 | Very high | 93.2 | Very high | 85 Ų | 85 | 78 Ų | 78 | 45% | 0.445 | 39% | 0.392 | S | S | . | . | H | α-helix | trans | -57.8 | -43.1 | 175.1 | -72.9 | 168.4 | 0 | 0 | 0 | 112.4 | D661 L662 M667 R668 I715 | D661-L665 WeakPolarHBondContact O-CG 3.06Å; D661-L665 PolarHBondContact O-N 3.06Å; L662-L665 HydrophobicContact CD2-CD1 4.48Å; L665-M667 PolarHBondContact O-N 2.77Å; L665-R668 WeakPolarHBondContact O-CB 3.08Å; L665-R668 WeakPolarHBondContact O-CD 3.32Å; L665-R668 VanDerWaalsContact O-CG 3.24Å; L665-R668 WeakPolarHBondContact O-CG 3.23Å; L665-R668 PolarHBondContact O-N 2.93Å; L665-I715 HydrophobicContact CD1-CD1 4Å; L665-I715 HydrophobicContact CD2-CD1 4.14Å; L665-I715 HydrophobicContact CG-CD1 4.1Å |
| 666 | K | 93.3 | Very high | 93.2 | Very high | 82 Ų | 82 | 83.4 Ų | 83.4 | 36% | 0.357 | 41% | 0.41 | S | S | . | . | H | α-helix | trans | -60.4 | -34.1 | 173.9 | -168.7 | 177.4 | -177.2 | -179.7 | 0 | 112.1 | L662 K663 A664 N680 D683 | L662-K666 WeakPolarHBondContact O-CB 3.42Å; L662-K666 PolarHBondContact O-N 3.32Å; K663-K666 PolarHBondContact O-N 3.4Å; A664-K666 VanDerWaalsContact C-N 3.35Å; A664-K666 PolarHBondContact O-N 3.34Å; K666-N680 PolarHBondContact O-ND2 3.36Å; K666-D683 WeakPolarHBondContact CE-OD1 3.38Å; K666-D683 IonicContact NZ-OD1 2.63Å; K666-D683 PolarHBondContact NZ-OD1 3.41Å |
| 667 | M | 92.7 | Very high | 93.2 | Very high | 96 Ų | 96 | 82.8 Ų | 82.8 | 47% | 0.473 | 40% | 0.4 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -92.4 | 7.2 | -180 | -67 | -178.7 | 63.8 | 0 | 0 | 114.6 | K663 A664 L665 A669 S670 | K663-M667 HydrophobicContact CG-SD 4.19Å; K663-M667 WeakPolarHBondContact O-CB 3.45Å; K663-M667 WeakPolarHBondContact O-CG 3.44Å; K663-M667 PolarHBondContact O-N 3.04Å; A664-M667 CarbonylContact O-C 3.55Å; A664-M667 WeakPolarHBondContact O-CA 3.45Å; A664-M667 PolarHBondContact O-N 3.05Å; L665-M667 PolarHBondContact O-N 2.77Å; M667-A669 PolarHBondContact O-N 3.33Å; M667-S670 PolarHBondContact O-N 3.04Å; M667-S670 PolarHBondContact O-OG 3.37Å |
| 668 | R | 93.5 | Very high | 93.2 | Very high | 90 Ų | 90 | 83.1 Ų | 83.1 | 34% | 0.34 | 40% | 0.399 | S | S | . | . | G | 310 helix | trans | -48.2 | -35.5 | -175.7 | 66.1 | -173.3 | 177.8 | 174.3 | 1.8 | 115.4 | A664 L665 S670 M671 Y677 K678 | A664-R668 PolarHBondContact O-N 3.13Å; L665-R668 WeakPolarHBondContact O-CB 3.08Å; L665-R668 WeakPolarHBondContact O-CD 3.32Å; L665-R668 VanDerWaalsContact O-CG 3.24Å; L665-R668 WeakPolarHBondContact O-CG 3.23Å; L665-R668 PolarHBondContact O-N 2.93Å; R668-S670 PolarHBondContact O-N 3.18Å; R668-M671 WeakPolarHBondContact O-CB 3.46Å; R668-M671 PolarHBondContact O-N 3.11Å; R668-M671 VanDerWaalsContact O-N 3.17Å; R668-Y677 HydrophobicContact CB-CD2 4.25Å; R668-Y677 HydrophobicContact CB-CE2 4.23Å; R668-Y677 HydrophobicContact CG-CD1 4.47Å; R668-Y677 HydrophobicContact CG-CD2 3.85Å; R668-Y677 HydrophobicContact CG-CE2 4.29Å; R668-Y677 HydrophobicContact CG-CG 3.95Å; R668-K678 PolarHBondContact NH2-O 3.04Å |
| 669 | A | 93 | Very high | 93.1 | Very high | 67 Ų | 67 | 91.2 Ų | 91.2 | 55% | 0.554 | 43% | 0.434 | S | S | * | . | G | 310 helix | trans | -69.7 | -7.4 | 179.6 | 0 | 0 | 0 | 0 | 0 | 114.9 | M667 | M667-A669 PolarHBondContact O-N 3.33Š|
| 670 | S | 91 | Very high | 92.9 | Very high | 70 Ų | 70 | 90.8 Ų | 90.8 | 49% | 0.49 | 44% | 0.435 | S | S | . | . | G | 310 helix | trans | -105.7 | -1.9 | 172.2 | 63.9 | 0 | 0 | 0 | 0 | 114.1 | M667 R668 | M667-S670 PolarHBondContact O-N 3.04Å; M667-S670 PolarHBondContact O-OG 3.37Å; R668-S670 PolarHBondContact O-N 3.18Å |
| 671 | M | 90.1 | Very high | 92.5 | Very high | 41 Ų | 41 | 92.7 Ų | 92.7 | 20% | 0.202 | 45% | 0.445 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -81.6 | -55.7 | -174 | -69.2 | -179.6 | 167.4 | 0 | 0 | 113.3 | A664 R668 L719 F725 | A664-M671 HydrophobicContact CB-CE 3.52Å; A664-M671 WeakPolarHBondContact O-CE 3.32Å; R668-M671 WeakPolarHBondContact O-CB 3.46Å; R668-M671 PolarHBondContact O-N 3.11Å; R668-M671 VanDerWaalsContact O-N 3.17Å; M671-L719 HydrophobicContact CE-CD1 3.55Å; M671-L719 HydrophobicContact SD-CD1 3.88Å; M671-F725 HydrophobicContact CB-CE2 3.8Å; M671-F725 HydrophobicContact CG-CE2 3.9Å; M671-F725 HydrophobicContact CG-CZ 4.3Å |
| 672 | D | 90.4 | Very high | 92.1 | Very high | 47 Ų | 47 | 102.7 Ų | 102.7 | 25% | 0.251 | 48% | 0.482 | S | S | . | . | | | trans | -110.2 | 113.3 | 178.6 | 178.6 | -2.2 | 0 | 0 | 0 | 108.9 | K674 R675 | D672-K674 PolarHBondContact O-N 2.96Å; D672-K674 VanDerWaalsContact O-N 3.1Å; D672-K674 VanDerWaalsContact OD1-CB 3.27Å; D672-K674 WeakPolarHBondContact OD1-CB 3.29Å; D672-K674 PolarHBondContact OD1-N 3.31Å; D672-R675 HydrophobicContact CB-CB 4.16Å; D672-R675 HydrophobicContact CB-CG 4.37Å; D672-R675 PolarHBondContact O-N 3.26Å; D672-R675 VanDerWaalsContact O-N 3.1Å; D672-R675 WeakPolarHBondContact OD2-CD 3.27Å; D672-R675 WeakPolarHBondContact OD2-CG 3.42Å; D672-R675 IonicContact OD2-NE 2.71Å; D672-R675 PolarHBondContact OD2-NE 3.19Å |
| 673 | P | 91 | Very high | 91.6 | Very high | 68 Ų | 68 | 109 Ų | 109 | 44% | 0.442 | 52% | 0.516 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -65.8 | -9.5 | 179.3 | 29.7 | -36.8 | 0 | 0 | 0 | 113.9 | Y728 | P673-Y728 HydrophobicContact CB-CE2 4.48Å; P673-Y728 HydrophobicContact CG-CE1 4.43Å; P673-Y728 HydrophobicContact CG-CE2 3.81Å |
| 674 | K | 93.4 | Very high | 91.3 | Very high | 179 Ų | 179 | 105.4 Ų | 105.4 | 78% | 0.778 | 51% | 0.512 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -90.5 | -15.6 | 175.2 | -56.4 | 174.1 | -178.9 | 171.9 | 0 | 112.9 | D672 | D672-K674 PolarHBondContact O-N 2.96Å; D672-K674 VanDerWaalsContact O-N 3.1Å; D672-K674 VanDerWaalsContact OD1-CB 3.27Å; D672-K674 WeakPolarHBondContact OD1-CB 3.29Å; D672-K674 PolarHBondContact OD1-N 3.31Å |
| 675 | R | 93.8 | Very high | 91.1 | Very high | 152 Ų | 152 | 109.2 Ų | 109.2 | 57% | 0.574 | 53% | 0.527 | S | S | * | . | | | trans | -114.7 | 100.6 | -173.1 | -70.2 | 176.8 | -166.7 | -98.8 | 4.3 | 112.4 | D672 Y677 | D672-R675 HydrophobicContact CB-CB 4.16Å; D672-R675 HydrophobicContact CB-CG 4.37Å; D672-R675 PolarHBondContact O-N 3.26Å; D672-R675 VanDerWaalsContact O-N 3.1Å; D672-R675 WeakPolarHBondContact OD2-CD 3.27Å; D672-R675 WeakPolarHBondContact OD2-CG 3.42Å; D672-R675 IonicContact OD2-NE 2.71Å; D672-R675 PolarHBondContact OD2-NE 3.19Å; R675-Y677 HydrophobicContact CB-CE2 3.83Å; R675-Y677 WeakPolarHBondContact O-CD2 3.34Å |
| 676 | F | 94.6 | Very high | 91 | Very high | 184 Ų | 184 | 108.2 Ų | 108.2 | 81% | 0.807 | 53% | 0.526 | S | S | * | . | | | trans | -85.8 | 113.1 | 172.8 | -58.6 | -75.8 | 0 | 0 | 0 | 110.5 | | |
| 677 | Y | 93.9 | Very high | 90.9 | Very high | 102 Ų | 102 | 109.8 Ų | 109.8 | 40% | 0.4 | 53% | 0.532 | S | S | . | . | P | Polyproline II helix | trans | -92.2 | 154.8 | 175.4 | -63.6 | -88 | 0 | 0 | 0 | 111.3 | R668 R675 K679 | R668-Y677 HydrophobicContact CB-CD2 4.25Å; R668-Y677 HydrophobicContact CB-CE2 4.23Å; R668-Y677 HydrophobicContact CG-CD1 4.47Å; R668-Y677 HydrophobicContact CG-CD2 3.85Å; R668-Y677 HydrophobicContact CG-CE2 4.29Å; R668-Y677 HydrophobicContact CG-CG 3.95Å; R675-Y677 HydrophobicContact CB-CE2 3.83Å; R675-Y677 WeakPolarHBondContact O-CD2 3.34Å; Y677-K679 PolarHBondContact O-N 2.84Å |
| 678 | K | 94.4 | Very high | 90.9 | Very high | 141 Ų | 141 | 108.4 Ų | 108.4 | 61% | 0.613 | 52% | 0.522 | S | S | * | . | P | Polyproline II helix | trans | -54.4 | 135.6 | 163 | -166.9 | -162.6 | 174 | -158.8 | 0 | 109 | R668 D681 | R668-K678 PolarHBondContact NH2-O 3.04Å; K678-D681 VanDerWaalsContact CE-OD1 3.29Å; K678-D681 WeakPolarHBondContact CE-OD1 3.45Å; K678-D681 IonicContact NZ-OD1 3.17Å; K678-D681 PolarHBondContact NZ-OD1 3.45Å; K678-D681 IonicContact NZ-OD2 3.6Å; K678-D681 PolarHBondContact NZ-OD2 2.87Å |
| 679 | K | 92.1 | Very high | 90.9 | Very high | 187 Ų | 187 | 105.2 Ų | 105.2 | 81% | 0.813 | 51% | 0.511 | S | S | * | . | P | Polyproline II helix | trans | -52.9 | 150.1 | 171.4 | -66 | 177.8 | -178.8 | 176.8 | 0 | 110.1 | Y677 | Y677-K679 PolarHBondContact O-N 2.84Š|
| 680 | N | 89.9 | Confident | 90.9 | Very high | 73 Ų | 73 | 108.9 Ų | 108.9 | 39% | 0.39 | 52% | 0.517 | S | S | . | . | P | Polyproline II helix | trans | -75.3 | 126.8 | -180 | -52.8 | -35.7 | 0 | 0 | 0 | 109.5 | K666 R682 | K666-N680 PolarHBondContact O-ND2 3.36Å; N680-R682 VanDerWaalsContact C-N 3.27Å; N680-R682 PolarHBondContact O-N 3.22Å |
| 681 | D | 85.9 | Confident | 91 | Very high | 126 Ų | 126 | 111.4 Ų | 111.4 | 67% | 0.674 | 52% | 0.523 | S | S | * | . | S | Bend | trans | -78.8 | -5.3 | -174.5 | -58 | -63.2 | 0 | 0 | 0 | 114.2 | K678 | K678-D681 VanDerWaalsContact CE-OD1 3.29Å; K678-D681 WeakPolarHBondContact CE-OD1 3.45Å; K678-D681 IonicContact NZ-OD1 3.17Å; K678-D681 PolarHBondContact NZ-OD1 3.45Å; K678-D681 IonicContact NZ-OD2 3.6Å; K678-D681 PolarHBondContact NZ-OD2 2.87Å |
| 682 | R | 86.8 | Confident | 91.1 | Very high | 221 Ų | 221 | 112.7 Ų | 112.7 | 83% | 0.834 | 55% | 0.548 | S | S | * | . | S | Bend | trans | -136.8 | 141.4 | -179.7 | -63.5 | -176.1 | -178.9 | -178.7 | 0.1 | 110.6 | N680 | N680-R682 VanDerWaalsContact C-N 3.27Å; N680-R682 PolarHBondContact O-N 3.22Å |
| 683 | D | 82.5 | Confident | 91.3 | Very high | 150 Ų | 150 | 116.7 Ų | 116.7 | 80% | 0.802 | 57% | 0.574 | S | S | * | * | S | Bend | trans | -96.7 | 104 | 172.1 | -164.5 | 18.6 | 0 | 0 | 0 | 110.9 | K666 | K666-D683 WeakPolarHBondContact CE-OD1 3.38Å; K666-D683 IonicContact NZ-OD1 2.63Å; K666-D683 PolarHBondContact NZ-OD1 3.41Å |
| 684 | G | 87.2 | Confident | 91.4 | Very high | 42 Ų | 42 | 121.2 Ų | 121.2 | 43% | 0.433 | 59% | 0.593 | S | S | . | * | S | Bend | trans | 152.3 | -167.3 | -178.8 | 0 | 0 | 0 | 0 | 0 | 112.2 | | |
| 685 | F | 90 | Very high | 91.4 | Very high | 90 Ų | 90 | 118.8 Ų | 118.8 | 40% | 0.395 | 59% | 0.592 | S | S | . | * | | | trans | -108.2 | 149.4 | 165.8 | -62.6 | -41.2 | 0 | 0 | 0 | 109.5 | M654 L662 K663 | M654-F685 HydrophobicContact CE-CB 4.21Å; M654-F685 HydrophobicContact CE-CD2 3.71Å; M654-F685 HydrophobicContact CE-CE2 4.45Å; M654-F685 HydrophobicContact CE-CG 4.26Å; L662-F685 HydrophobicContact CB-CD1 3.66Å; L662-F685 HydrophobicContact CB-CE1 3.67Å; L662-F685 HydrophobicContact CB-CG 4.23Å; L662-F685 HydrophobicContact CB-CZ 4.25Å; L662-F685 HydrophobicContact CD1-CB 4.4Å; L662-F685 HydrophobicContact CD1-CG 4.36Å; K663-F685 HydrophobicContact CB-CE1 4.39Å; K663-F685 HydrophobicContact CB-CZ 4.14Å |
| 686 | P | 91.6 | Very high | 91.3 | Very high | 64 Ų | 64 | 113.6 Ų | 113.6 | 42% | 0.416 | 58% | 0.576 | S | S | . | * | | | trans | -65.6 | 142.2 | 174.1 | 27.8 | -33.7 | 0 | 0 | 0 | 111.1 | L662 F689 | L662-P686 HydrophobicContact CD2-CG 4.37Å; P686-F689 HydrophobicContact CB-CD1 4.29Å; P686-F689 HydrophobicContact CG-CB 4.12Å; P686-F689 HydrophobicContact CG-CD1 3.81Å; P686-F689 HydrophobicContact CG-CG 4.17Å; P686-F689 VanDerWaalsContact O-CD1 3.32Å; P686-F689 WeakPolarHBondContact O-CD1 3.46Å; P686-F689 WeakPolarHBondContact O-CE1 3.16Å |
| 687 | K | 91.5 | Very high | 91.2 | Very high | 115 Ų | 115 | 109 Ų | 109 | 50% | 0.5 | 56% | 0.56 | S | S | . | * | S | Bend | trans | -73.9 | -40.2 | 175 | -173.1 | -171.1 | 172.7 | -159.3 | 0 | 112.4 | Q639 A651 | Q639-K687 PolarHBondContact O-NZ 3.31Å; A651-K687 WeakPolarHBondContact CB-O 3.48Å |
| 688 | Y | 93.1 | Very high | 91 | Very high | 67 Ų | 67 | 109.7 Ų | 109.7 | 26% | 0.263 | 58% | 0.577 | S | S | . | * | S | Bend | trans | -116.4 | 128.1 | 178.2 | -47.5 | -69.5 | 0 | 0 | 0 | 108.5 | Q639 T641 A642 A651 | Q639-Y688 PolarHBondContact O-OH 2.92Å; T641-Y688 VanDerWaalsContact C-CE1 3.42Å; T641-Y688 WeakPolarHBondContact O-CE1 3.44Å; T641-Y688 PolarHBondContact O-OH 3.29Å; A642-Y688 HydrophobicContact CB-CD1 4.4Å; A642-Y688 HydrophobicContact CB-CD2 3.94Å; A642-Y688 HydrophobicContact CB-CG 3.87Å; A651-Y688 HydrophobicContact CB-CD1 3.7Å; A651-Y688 HydrophobicContact CB-CE1 3.94Å |
| 689 | F | 92.5 | Very high | 90.8 | Very high | 24 Ų | 24 | 107.3 Ų | 107.3 | 11% | 0.105 | 58% | 0.583 | C | S | . | * | | | trans | -165.4 | 168.2 | 177.8 | 60.7 | -87.5 | 0 | 0 | 0 | 108.3 | P652 M654 L658 L662 P686 | P652-F689 HydrophobicContact CB-CE2 4.1Å; P652-F689 HydrophobicContact CB-CZ 3.96Å; P652-F689 WeakPolarHBondContact CD-O 3.27Å; P652-F689 HydrophobicContact CG-CD2 4.02Å; P652-F689 HydrophobicContact CG-CE1 4.22Å; P652-F689 HydrophobicContact CG-CE2 3.66Å; P652-F689 HydrophobicContact CG-CG 4.41Å; P652-F689 HydrophobicContact CG-CZ 3.78Å; P652-F689 WeakPolarHBondContact CG-O 3.32Å; M654-F689 HydrophobicContact SD-CE1 3.8Å; M654-F689 HydrophobicContact SD-CZ 3.83Å; L658-F689 HydrophobicContact CD1-CE2 3.8Å; L658-F689 HydrophobicContact CD1-CZ 4.28Å; L658-F689 HydrophobicContact CD2-CE2 3.72Å; L658-F689 HydrophobicContact CD2-CZ 3.72Å; L658-F689 HydrophobicContact CG-CE2 3.94Å; L658-F689 HydrophobicContact CG-CZ 3.95Å; L662-F689 HydrophobicContact CD1-CE1 4.08Å; L662-F689 HydrophobicContact CD1-CE2 4.29Å; L662-F689 HydrophobicContact CD1-CZ 3.82Å; P686-F689 HydrophobicContact CB-CD1 4.29Å; P686-F689 HydrophobicContact CG-CB 4.12Å; P686-F689 HydrophobicContact CG-CD1 3.81Å; P686-F689 HydrophobicContact CG-CG 4.17Å; P686-F689 VanDerWaalsContact O-CD1 3.32Å; P686-F689 WeakPolarHBondContact O-CD1 3.46Å; P686-F689 WeakPolarHBondContact O-CE1 3.16Å |
| 690 | Q | 92.6 | Very high | 90.6 | Very high | 144 Ų | 144 | 100.3 Ų | 100.3 | 67% | 0.673 | 56% | 0.555 | S | S | * | * | | | trans | -133 | 154.8 | 173.3 | -72.4 | 174.6 | -9.9 | 0 | 0 | 109.8 | M649 | M649-Q690 HydrophobicContact CG-CG 3.94Å; M649-Q690 HydrophobicContact SD-CG 4Å |
| 691 | I | 93.2 | Very high | 90.4 | Very high | 122 Ų | 122 | 102.6 Ų | 102.6 | 63% | 0.626 | 56% | 0.561 | S | S | * | * | | | trans | -103.5 | 119.4 | 173.1 | -48.1 | 170.6 | 0 | 0 | 0 | 106.5 | L658 | L658-I691 HydrophobicContact CD1-CD1 3.54Å; L658-I691 HydrophobicContact CD1-CG1 4.03Å; L658-I691 HydrophobicContact CD2-CD1 4.1Å; L658-I691 HydrophobicContact CG-CD1 4.41Å |
| 692 | G | 93.8 | Very high | 90.5 | Very high | 69 Ų | 69 | 105.8 Ų | 105.8 | 71% | 0.711 | 57% | 0.565 | S | S | * | * | | | trans | -120.8 | 146.6 | 176.3 | 0 | 0 | 0 | 0 | 0 | 110.8 | | |
| 693 | T | 94.1 | Very high | 90.6 | Very high | 130 Ų | 130 | 103.4 Ų | 103.4 | 80% | 0.798 | 56% | 0.563 | S | S | * | * | P | Polyproline II helix | trans | -94.5 | 141.2 | 168.4 | 44.4 | 0 | 0 | 0 | 0 | 109.9 | V695 | T693-V695 PolarHBondContact O-N 3.29Š|
| 694 | I | 93.4 | Very high | 90.8 | Very high | 164 Ų | 164 | 99.4 Ų | 99.4 | 84% | 0.841 | 55% | 0.547 | S | S | * | . | P | Polyproline II helix | trans | -75.1 | 124.6 | 174.3 | -58.9 | 174.7 | 0 | 0 | 0 | 108 | | |
| 695 | V | 92.5 | Very high | 91.1 | Very high | 127 Ų | 127 | 101.1 Ų | 101.1 | 77% | 0.77 | 54% | 0.541 | S | S | * | . | P | Polyproline II helix | trans | -81.6 | 133.2 | 172.7 | -178.5 | 0 | 0 | 0 | 0 | 108.6 | T693 | T693-V695 PolarHBondContact O-N 3.29Š|
| 696 | D | 91.6 | Very high | 91.1 | Very high | 43 Ų | 43 | 100 Ų | 100 | 23% | 0.23 | 54% | 0.538 | C | S | . | . | P | Polyproline II helix | trans | -65 | 136.7 | 179.2 | -47 | -90.3 | 0 | 0 | 0 | 111 | R705 R711 | D696-R705 HydrophobicContact CB-CG 4.37Å; D696-R705 WeakPolarHBondContact OD1-CG 3.26Å; D696-R711 IonicContact OD1-CZ 2.78Å; D696-R711 IonicContact OD1-NH1 2.72Å; D696-R711 IonicContact OD1-NH2 2.65Å; D696-R711 PolarHBondContact OD1-NH2 3.31Å; D696-R711 IonicContact OD2-CZ 2.72Å; D696-R711 IonicContact OD2-NH1 2.67Å; D696-R711 PolarHBondContact OD2-NH1 3.05Å; D696-R711 IonicContact OD2-NH2 3.06Å; D696-R711 PolarHBondContact OD2-NH2 2.93Å |
| 697 | N | 92 | Very high | 91.1 | Very high | 87 Ų | 87 | 100.3 Ų | 100.3 | 47% | 0.465 | 54% | 0.54 | S | S | . | . | P | Polyproline II helix | trans | -64.6 | 130.7 | 170.1 | -174.6 | -10.5 | 0 | 0 | 0 | 109.3 | A699 R705 | N697-A699 PolarHBondContact O-N 2.87Å; N697-A699 WeakPolarHBondContact OD1-CB 3.42Å; N697-A699 PolarHBondContact OD1-N 3.01Å; N697-R705 PolarHBondContact O-NH2 3.2Å |
| 698 | P | 89.7 | Confident | 91.2 | Very high | 117 Ų | 117 | 103.9 Ų | 103.9 | 76% | 0.76 | 56% | 0.556 | S | S | * | * | S | Bend | trans | -59.9 | -30.2 | 171.6 | 23.1 | -33.8 | 0 | 0 | 0 | 113.2 | | |
| 699 | A | 90.8 | Very high | 91.1 | Very high | 91 Ų | 91 | 109.8 Ų | 109.8 | 75% | 0.752 | 58% | 0.583 | S | S | * | * | S | Bend | trans | -80.8 | -22.7 | -173.9 | 0 | 0 | 0 | 0 | 0 | 115.2 | N697 | N697-A699 PolarHBondContact O-N 2.87Å; N697-A699 WeakPolarHBondContact OD1-CB 3.42Å; N697-A699 PolarHBondContact OD1-N 3.01Å |
| 700 | D | 88.7 | Confident | 91.1 | Very high | 40 Ų | 40 | 114.4 Ų | 114.4 | 21% | 0.214 | 61% | 0.605 | C | S | . | * | | | trans | -114.1 | 103.8 | 172.6 | 173.2 | 32.9 | 0 | 0 | 0 | 110.4 | Y702 H703 S704 | D700-Y702 PolarHBondContact OD1-N 2.85Å; D700-Y702 VanDerWaalsContact OD1-N 3.11Å; D700-H703 IonicContact OD1-CG 3.52Å; D700-H703 PolarHBondContact OD1-N 3.01Å; D700-H703 IonicContact OD1-ND1 2.77Å; D700-H703 PolarHBondContact OD1-ND1 2.98Å; D700-S704 WeakPolarHBondContact OD2-CB 3.43Å; D700-S704 PolarHBondContact OD2-N 3.39Å; D700-S704 PolarHBondContact OD2-OG 2.86Å |
| 701 | F | 86.2 | Confident | 91.2 | Very high | 121 Ų | 121 | 112.4 Ų | 112.4 | 53% | 0.531 | 59% | 0.591 | S | S | . | * | S | Bend | trans | -85.9 | -23.3 | 179 | -174.5 | -91 | 0 | 0 | 0 | 113.2 | R705 | F701-R705 WeakPolarHBondContact O-CB 3.35Š|
| 702 | Y | 87.4 | Confident | 91.2 | Very high | 193 Ų | 193 | 110.2 Ų | 110.2 | 76% | 0.757 | 58% | 0.577 | S | S | * | * | S | Bend | trans | -109.2 | -29.9 | -160.2 | -68.3 | -77.1 | 0 | 0 | 0 | 114.8 | D700 | D700-Y702 PolarHBondContact OD1-N 2.85Å; D700-Y702 VanDerWaalsContact OD1-N 3.11Å |
| 703 | H | 87.9 | Confident | 91.2 | Very high | 171 Ų | 171 | 118.1 Ų | 118.1 | 79% | 0.792 | 59% | 0.585 | S | S | * | * | S | Bend | trans | -109.6 | -47.1 | -169.4 | -55.4 | 91.6 | 0 | 0 | 0 | 113.8 | D700 | D700-H703 IonicContact OD1-CG 3.52Å; D700-H703 PolarHBondContact OD1-N 3.01Å; D700-H703 IonicContact OD1-ND1 2.77Å; D700-H703 PolarHBondContact OD1-ND1 2.98Å |
| 704 | S | 88.1 | Confident | 91.3 | Very high | 66 Ų | 66 | 113.5 Ų | 113.5 | 46% | 0.462 | 56% | 0.557 | S | S | . | * | S | Bend | trans | -85.8 | -19 | 179.5 | 57.3 | 0 | 0 | 0 | 0 | 114.1 | D700 I706 | D700-S704 WeakPolarHBondContact OD2-CB 3.43Å; D700-S704 PolarHBondContact OD2-N 3.39Å; D700-S704 PolarHBondContact OD2-OG 2.86Å; S704-I706 PolarHBondContact O-N 2.82Å |
| 705 | R | 91.6 | Very high | 91.4 | Very high | 78 Ų | 78 | 108.9 Ų | 108.9 | 29% | 0.294 | 53% | 0.533 | S | S | . | . | | | trans | -82.6 | 103.3 | -171.1 | -175.9 | 168.3 | -64.2 | -153.4 | 2.1 | 112.8 | D696 N697 F701 | D696-R705 HydrophobicContact CB-CG 4.37Å; D696-R705 WeakPolarHBondContact OD1-CG 3.26Å; N697-R705 PolarHBondContact O-NH2 3.2Å; F701-R705 WeakPolarHBondContact O-CB 3.35Å |
| 706 | I | 91.4 | Very high | 91.5 | Very high | 67 Ų | 67 | 104.9 Ų | 104.9 | 34% | 0.344 | 51% | 0.509 | S | S | . | . | | | trans | -71.3 | 128.4 | 177.4 | -58.9 | 176 | 0 | 0 | 0 | 109.9 | S704 Q710 R711 | S704-I706 PolarHBondContact O-N 2.82Å; I706-Q710 HydrophobicContact CG2-CB 3.7Å; I706-R711 HydrophobicContact CB-CG 4.22Å; I706-R711 HydrophobicContact CG2-CG 3.87Å; I706-R711 PolarHBondContact O-NE 3.42Å; I706-R711 PolarHBondContact O-NH2 2.74Å |
| 707 | P | 91.7 | Very high | 91.7 | Very high | 71 Ų | 71 | 106.4 Ų | 106.4 | 46% | 0.461 | 52% | 0.515 | S | S | . | . | | | trans | -67.2 | 145.7 | 178.6 | 27.1 | -35.3 | 0 | 0 | 0 | 112.2 | K709 Q710 R711 | P707-K709 PolarHBondContact O-N 3.03Å; P707-Q710 HydrophobicContact CG-CB 4.24Å; P707-Q710 HydrophobicContact CG-CG 4.15Å; P707-Q710 PolarHBondContact O-N 3.4Å; P707-R711 PolarHBondContact O-N 3.25Å |
| 708 | K | 92.2 | Very high | 91.8 | Very high | 189 Ų | 189 | 106.8 Ų | 106.8 | 82% | 0.822 | 51% | 0.514 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -51 | -27.9 | -172.8 | -67.1 | -174.9 | 178.7 | -178.5 | 0 | 115.3 | | |
| 709 | K | 92.4 | Very high | 92 | Very high | 192 Ų | 192 | 103 Ų | 103 | 84% | 0.835 | 49% | 0.487 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -72.4 | -29.9 | 177.8 | -62.5 | -178 | -179.9 | 179.5 | 0 | 113.6 | P707 K712 | P707-K709 PolarHBondContact O-N 3.03Å; K709-K712 PolarHBondContact O-NZ 2.92Å |
| 710 | Q | 91.8 | Very high | 92.2 | Very high | 121 Ų | 121 | 103.7 Ų | 103.7 | 57% | 0.565 | 48% | 0.477 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -88.1 | -28.1 | -179.2 | -74.5 | 175.8 | -21.1 | 0 | 0 | 112.4 | I706 P707 K712 | I706-Q710 HydrophobicContact CG2-CB 3.7Å; P707-Q710 HydrophobicContact CG-CB 4.24Å; P707-Q710 HydrophobicContact CG-CG 4.15Å; P707-Q710 PolarHBondContact O-N 3.4Å; Q710-K712 WeakPolarHBondContact O-CD 3.08Å; Q710-K712 WeakPolarHBondContact O-CG 3.35Å; Q710-K712 PolarHBondContact O-N 3.1Å |
| 711 | R | 93.9 | Very high | 92.4 | Very high | 102 Ų | 102 | 104 Ų | 104 | 39% | 0.385 | 49% | 0.486 | S | S | . | . | | | trans | -58.1 | 121.4 | 173.7 | -59.8 | -176.6 | -164.5 | -147 | -5.6 | 110.8 | D696 I706 P707 | D696-R711 IonicContact OD1-CZ 2.78Å; D696-R711 IonicContact OD1-NH1 2.72Å; D696-R711 IonicContact OD1-NH2 2.65Å; D696-R711 PolarHBondContact OD1-NH2 3.31Å; D696-R711 IonicContact OD2-CZ 2.72Å; D696-R711 IonicContact OD2-NH1 2.67Å; D696-R711 PolarHBondContact OD2-NH1 3.05Å; D696-R711 IonicContact OD2-NH2 3.06Å; D696-R711 PolarHBondContact OD2-NH2 2.93Å; I706-R711 HydrophobicContact CB-CG 4.22Å; I706-R711 HydrophobicContact CG2-CG 3.87Å; I706-R711 PolarHBondContact O-NE 3.42Å; I706-R711 PolarHBondContact O-NH2 2.74Å; P707-R711 PolarHBondContact O-N 3.25Å |
| 712 | K | 95.1 | Very high | 92.8 | Very high | 76 Ų | 76 | 101.4 Ų | 101.4 | 33% | 0.33 | 48% | 0.477 | S | S | . | . | | | trans | -112.4 | 171.6 | -179 | -64.6 | -35.3 | -169.6 | -170.8 | 0 | 111.7 | K709 Q710 E717 E718 | K709-K712 PolarHBondContact O-NZ 2.92Å; Q710-K712 WeakPolarHBondContact O-CD 3.08Å; Q710-K712 WeakPolarHBondContact O-CG 3.35Å; Q710-K712 PolarHBondContact O-N 3.1Å; K712-E717 HydrophobicContact CB-CB 3.94Å; K712-E717 HydrophobicContact CB-CG 3.9Å; K712-E717 WeakPolarHBondContact CB-OE2 3.24Å; K712-E717 HydrophobicContact CD-CG 4.12Å; K712-E717 WeakPolarHBondContact CD-OE1 3.37Å; K712-E717 HydrophobicContact CG-CB 4.24Å; K712-E717 HydrophobicContact CG-CG 3.83Å; K712-E718 HydrophobicContact CB-CB 4.11Å; K712-E718 HydrophobicContact CG-CB 4.12Å |
| 713 | R | 93.8 | Very high | 93.1 | Very high | 235 Ų | 235 | 96 Ų | 96 | 89% | 0.887 | 47% | 0.468 | S | S | * | . | S | Bend | trans | -83.4 | -33 | 178.5 | -67.4 | -178.4 | 175.7 | 179.5 | -1.4 | 112.7 | E717 | R713-E717 PolarHBondContact N-OE2 3.1Š|
| 714 | T | 95.6 | Very high | 93.3 | Very high | 32 Ų | 32 | 95 Ų | 95 | 20% | 0.196 | 46% | 0.463 | C | S | . | . | S | Bend | trans | -129.4 | 155.9 | -177.1 | 58.3 | 0 | 0 | 0 | 0 | 111.2 | E657 D661 V716 E717 E718 | E657-T714 HydrophobicContact CB-CG2 4.46Å; D661-T714 WeakPolarHBondContact OD2-CA 3.46Å; D661-T714 VanDerWaalsContact OD2-CB 3.32Å; D661-T714 WeakPolarHBondContact OD2-CB 3.45Å; T714-V716 VanDerWaalsContact C-N 3.29Å; T714-V716 PolarHBondContact O-N 2.98Å; T714-E717 PolarHBondContact O-N 2.99Å; T714-E717 VanDerWaalsContact OG1-CB 3.23Å; T714-E717 WeakPolarHBondContact OG1-CB 3.34Å; T714-E717 PolarHBondContact OG1-N 2.87Å; T714-E718 PolarHBondContact O-N 2.77Å; T714-E718 VanDerWaalsContact O-N 3.11Å |
| 715 | I | 94.3 | Very high | 93.6 | Very high | 68 Ų | 68 | 93.7 Ų | 93.7 | 35% | 0.349 | 45% | 0.449 | S | S | . | . | H | α-helix | trans | -64.8 | -38.4 | -179.5 | -56.4 | 173.2 | 0 | 0 | 0 | 109.8 | D661 L665 E718 L719 | D661-I715 PolarHBondContact OD1-N 3.19Å; D661-I715 PolarHBondContact OD2-N 3.25Å; L665-I715 HydrophobicContact CD1-CD1 4Å; L665-I715 HydrophobicContact CD2-CD1 4.14Å; L665-I715 HydrophobicContact CG-CD1 4.1Å; I715-E718 PolarHBondContact O-N 3.45Å; I715-L719 HydrophobicContact CG2-CD1 4.24Å; I715-L719 WeakPolarHBondContact O-CG 3.23Å; I715-L719 PolarHBondContact O-N 2.96Å |
| 716 | V | 95.5 | Very high | 93.7 | Very high | 42 Ų | 42 | 96.1 Ų | 96.1 | 26% | 0.255 | 46% | 0.458 | S | S | . | . | H | α-helix | trans | -66.6 | -35.9 | 175.1 | 169.6 | 0 | 0 | 0 | 0 | 112.1 | N660 D661 A664 T714 L720 | N660-V716 HydrophobicContact CB-CG2 4.37Å; D661-V716 WeakPolarHBondContact OD1-CB 3.38Å; D661-V716 VanDerWaalsContact OD1-CG2 3.29Å; D661-V716 WeakPolarHBondContact OD1-CG2 3.13Å; D661-V716 PolarHBondContact OD1-N 3.33Å; A664-V716 HydrophobicContact CB-CG2 3.78Å; T714-V716 VanDerWaalsContact C-N 3.29Å; T714-V716 PolarHBondContact O-N 2.98Å; V716-L720 HydrophobicContact CG1-CD1 3.9Å; V716-L720 HydrophobicContact CG1-CG 4.39Å; V716-L720 WeakPolarHBondContact O-CB 3.16Å; V716-L720 WeakPolarHBondContact O-CG 3.38Å; V716-L720 PolarHBondContact O-N 3.37Å |
| 717 | E | 95.4 | Very high | 93.9 | Very high | 75 Ų | 75 | 102.9 Ų | 102.9 | 35% | 0.35 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -65.6 | -39.6 | 174.1 | -171.7 | -162.8 | 173.8 | 0 | 0 | 111.6 | K712 R713 T714 L720 A721 | K712-E717 HydrophobicContact CB-CB 3.94Å; K712-E717 HydrophobicContact CB-CG 3.9Å; K712-E717 WeakPolarHBondContact CB-OE2 3.24Å; K712-E717 HydrophobicContact CD-CG 4.12Å; K712-E717 WeakPolarHBondContact CD-OE1 3.37Å; K712-E717 HydrophobicContact CG-CB 4.24Å; K712-E717 HydrophobicContact CG-CG 3.83Å; R713-E717 PolarHBondContact N-OE2 3.1Å; T714-E717 PolarHBondContact O-N 2.99Å; T714-E717 VanDerWaalsContact OG1-CB 3.23Å; T714-E717 WeakPolarHBondContact OG1-CB 3.34Å; T714-E717 PolarHBondContact OG1-N 2.87Å; E717-L720 PolarHBondContact O-N 2.96Å; E717-A721 PolarHBondContact O-N 3.34Å |
| 718 | E | 94.3 | Very high | 94 | Very high | 96 Ų | 96 | 102.3 Ų | 102.3 | 45% | 0.449 | 47% | 0.469 | S | S | . | . | H | α-helix | trans | -62.4 | -48.4 | 175.3 | -168.6 | 178.4 | 162.1 | 0 | 0 | 111.7 | K712 T714 I715 L720 A721 D722 | K712-E718 HydrophobicContact CB-CB 4.11Å; K712-E718 HydrophobicContact CG-CB 4.12Å; T714-E718 PolarHBondContact O-N 2.77Å; T714-E718 VanDerWaalsContact O-N 3.11Å; I715-E718 PolarHBondContact O-N 3.45Å; E718-L720 VanDerWaalsContact C-N 3.27Å; E718-L720 PolarHBondContact O-N 3Å; E718-A721 WeakPolarHBondContact O-CB 3.38Å; E718-A721 PolarHBondContact O-N 2.77Å; E718-D722 PolarHBondContact O-N 2.98Å |
| 719 | L | 94 | Very high | 94.1 | Very high | 38 Ų | 38 | 95.7 Ų | 95.7 | 20% | 0.199 | 44% | 0.443 | C | S | . | . | H | α-helix | trans | -61.5 | -33 | 175.5 | -71.2 | 171.8 | 0 | 0 | 0 | 112.9 | M671 I715 F725 | M671-L719 HydrophobicContact CE-CD1 3.55Å; M671-L719 HydrophobicContact SD-CD1 3.88Å; I715-L719 HydrophobicContact CG2-CD1 4.24Å; I715-L719 WeakPolarHBondContact O-CG 3.23Å; I715-L719 PolarHBondContact O-N 2.96Å; L719-F725 HydrophobicContact CB-CD1 3.99Å; L719-F725 HydrophobicContact CB-CE1 3.68Å; L719-F725 HydrophobicContact CB-CZ 4.18Å; L719-F725 HydrophobicContact CD1-CE1 4.46Å; L719-F725 HydrophobicContact CD1-CZ 4.15Å; L719-F725 HydrophobicContact CD2-CD1 4.35Å; L719-F725 HydrophobicContact CD2-CD2 4.14Å; L719-F725 HydrophobicContact CD2-CE1 4.22Å; L719-F725 HydrophobicContact CD2-CE2 4.02Å; L719-F725 HydrophobicContact CD2-CG 4.29Å; L719-F725 HydrophobicContact CD2-CZ 4.03Å; L719-F725 HydrophobicContact CG-CE1 4.34Å; L719-F725 HydrophobicContact CG-CZ 4.36Å; L719-F725 WeakPolarHBondContact O-CD1 3.33Å |
| 720 | L | 94.1 | Very high | 94.2 | Very high | 105 Ų | 105 | 95.9 Ų | 95.9 | 55% | 0.55 | 44% | 0.438 | S | S | . | . | H | α-helix | trans | -77.2 | -22.3 | 174.4 | -72.7 | 171.5 | 0 | 0 | 0 | 113.1 | V716 E717 E718 R726 | V716-L720 HydrophobicContact CG1-CD1 3.9Å; V716-L720 HydrophobicContact CG1-CG 4.39Å; V716-L720 WeakPolarHBondContact O-CB 3.16Å; V716-L720 WeakPolarHBondContact O-CG 3.38Å; V716-L720 PolarHBondContact O-N 3.37Å; E717-L720 PolarHBondContact O-N 2.96Å; E718-L720 VanDerWaalsContact C-N 3.27Å; E718-L720 PolarHBondContact O-N 3Å; L720-R726 VanDerWaalsContact O-CD 3.23Å; L720-R726 WeakPolarHBondContact O-CD 3.22Å; L720-R726 PolarHBondContact O-NE 2.87Å |
| 721 | A | 94.8 | Very high | 94.4 | Very high | 47 Ų | 47 | 96.5 Ų | 96.5 | 39% | 0.388 | 44% | 0.435 | S | S | . | . | H | α-helix | trans | -73.4 | -39.3 | 173.2 | 0 | 0 | 0 | 0 | 0 | 111.7 | E717 E718 S723 R726 | E717-A721 PolarHBondContact O-N 3.34Å; E718-A721 WeakPolarHBondContact O-CB 3.38Å; E718-A721 PolarHBondContact O-N 2.77Å; A721-S723 PolarHBondContact O-N 3.45Å; A721-R726 PolarHBondContact O-NH2 2.99Å |
| 722 | D | 93.9 | Very high | 94.5 | Very high | 66 Ų | 66 | 94.6 Ų | 94.6 | 35% | 0.353 | 43% | 0.429 | S | S | . | . | | | trans | -59.3 | 133.6 | 178.2 | 178.5 | 28.7 | 0 | 0 | 0 | 112.6 | E718 E724 F725 R726 | E718-D722 PolarHBondContact O-N 2.98Å; D722-E724 PolarHBondContact OD1-N 2.81Å; D722-F725 HydrophobicContact CB-CB 4.15Å; D722-F725 WeakPolarHBondContact OD2-CB 3.01Å; D722-F725 PolarHBondContact OD2-N 3.1Å; D722-R726 WeakPolarHBondContact O-CG 3.27Å; D722-R726 PolarHBondContact O-NE 3.21Å |
| 723 | S | 93.6 | Very high | 94.6 | Very high | 80 Ų | 80 | 97.7 Ų | 97.7 | 56% | 0.559 | 44% | 0.44 | S | S | * | . | H | α-helix | trans | -82.7 | -30.5 | 176.6 | 56.9 | 0 | 0 | 0 | 0 | 112.6 | A721 R727 | A721-S723 PolarHBondContact O-N 3.45Å; S723-R727 WeakPolarHBondContact O-CB 3.15Å; S723-R727 PolarHBondContact O-N 3.14Å |
| 724 | E | 92.6 | Very high | 94.8 | Very high | 148 Ų | 148 | 91.6 Ų | 91.6 | 69% | 0.692 | 43% | 0.425 | S | S | * | . | H | α-helix | trans | -72 | -50.9 | -179.1 | -63.2 | -148.2 | 153.3 | 0 | 0 | 111.3 | D722 R726 R727 Y728 | D722-E724 PolarHBondContact OD1-N 2.81Å; E724-R726 VanDerWaalsContact C-N 3.32Å; E724-R726 PolarHBondContact O-N 2.62Å; E724-R727 PolarHBondContact O-N 3.08Å; E724-R727 VanDerWaalsContact O-N 3.1Å; E724-Y728 WeakPolarHBondContact O-CB 3.44Å; E724-Y728 PolarHBondContact O-N 3.17Å |
| 725 | F | 93.4 | Very high | 94.8 | Very high | 40 Ų | 40 | 94.4 Ų | 94.4 | 18% | 0.175 | 44% | 0.436 | C | S | . | . | H | α-helix | trans | -54.3 | -45.8 | 173.8 | -177.9 | -103.4 | 0 | 0 | 0 | 111.7 | M671 L719 D722 Y728 N729 | M671-F725 HydrophobicContact CB-CE2 3.8Å; M671-F725 HydrophobicContact CG-CE2 3.9Å; M671-F725 HydrophobicContact CG-CZ 4.3Å; L719-F725 HydrophobicContact CB-CD1 3.99Å; L719-F725 HydrophobicContact CB-CE1 3.68Å; L719-F725 HydrophobicContact CB-CZ 4.18Å; L719-F725 HydrophobicContact CD1-CE1 4.46Å; L719-F725 HydrophobicContact CD1-CZ 4.15Å; L719-F725 HydrophobicContact CD2-CD1 4.35Å; L719-F725 HydrophobicContact CD2-CD2 4.14Å; L719-F725 HydrophobicContact CD2-CE1 4.22Å; L719-F725 HydrophobicContact CD2-CE2 4.02Å; L719-F725 HydrophobicContact CD2-CG 4.29Å; L719-F725 HydrophobicContact CD2-CZ 4.03Å; L719-F725 HydrophobicContact CG-CE1 4.34Å; L719-F725 HydrophobicContact CG-CZ 4.36Å; L719-F725 WeakPolarHBondContact O-CD1 3.33Å; D722-F725 HydrophobicContact CB-CB 4.15Å; D722-F725 WeakPolarHBondContact OD2-CB 3.01Å; D722-F725 PolarHBondContact OD2-N 3.1Å; F725-Y728 PolarHBondContact O-N 3.17Å; F725-N729 VanDerWaalsContact CD1-ND2 3.26Å; F725-N729 WeakPolarHBondContact CD1-ND2 3.34Å; F725-N729 WeakPolarHBondContact CD2-ND2 3.43Å; F725-N729 WeakPolarHBondContact CE1-ND2 3.44Å; F725-N729 WeakPolarHBondContact CE2-ND2 3.26Å; F725-N729 WeakPolarHBondContact CG-ND2 3.19Å; F725-N729 WeakPolarHBondContact CZ-ND2 3.15Å; F725-N729 VanDerWaalsContact O-CB 3.27Å; F725-N729 WeakPolarHBondContact O-CB 3.05Å; F725-N729 VanDerWaalsContact O-CG 3.3Å; F725-N729 PolarHBondContact O-N 2.93Å; F725-N729 PolarHBondContact O-ND2 2.9Å |
| 726 | R | 94.3 | Very high | 94.9 | Very high | 128 Ų | 128 | 94.6 Ų | 94.6 | 48% | 0.483 | 44% | 0.437 | S | S | . | . | H | α-helix | trans | -61.6 | -44.1 | 174.8 | -78.2 | -175.4 | -70.2 | 164.6 | -7.9 | 112.5 | L720 A721 D722 E724 R730 | L720-R726 VanDerWaalsContact O-CD 3.23Å; L720-R726 WeakPolarHBondContact O-CD 3.22Å; L720-R726 PolarHBondContact O-NE 2.87Å; A721-R726 PolarHBondContact O-NH2 2.99Å; D722-R726 WeakPolarHBondContact O-CG 3.27Å; D722-R726 PolarHBondContact O-NE 3.21Å; E724-R726 VanDerWaalsContact C-N 3.32Å; E724-R726 PolarHBondContact O-N 2.62Å; R726-R730 VanDerWaalsContact O-CB 3.26Å; R726-R730 WeakPolarHBondContact O-CB 3.38Å; R726-R730 PolarHBondContact O-N 2.9Å |
| 727 | R | 94.9 | Very high | 95 | Very high | 210 Ų | 210 | 96.5 Ų | 96.5 | 79% | 0.792 | 44% | 0.444 | S | S | * | . | H | α-helix | trans | -65.1 | -44.1 | 177.8 | -173.7 | -179 | -177.4 | -168.2 | 2 | 111.7 | S723 E724 R731 | S723-R727 WeakPolarHBondContact O-CB 3.15Å; S723-R727 PolarHBondContact O-N 3.14Å; E724-R727 PolarHBondContact O-N 3.08Å; E724-R727 VanDerWaalsContact O-N 3.1Å; R727-R731 WeakPolarHBondContact O-CB 3.26Å; R727-R731 PolarHBondContact O-N 3.46Å |
| 728 | Y | 94.3 | Very high | 95 | Very high | 58 Ų | 58 | 96 Ų | 96 | 23% | 0.227 | 45% | 0.452 | C | S | . | . | H | α-helix | trans | -62.3 | -53.5 | 177.6 | 176.3 | -102.2 | 0 | 0 | 0 | 111.4 | P673 E724 F725 R730 R731 K732 | P673-Y728 HydrophobicContact CB-CE2 4.48Å; P673-Y728 HydrophobicContact CG-CE1 4.43Å; P673-Y728 HydrophobicContact CG-CE2 3.81Å; E724-Y728 WeakPolarHBondContact O-CB 3.44Å; E724-Y728 PolarHBondContact O-N 3.17Å; F725-Y728 PolarHBondContact O-N 3.17Å; Y728-R730 PolarHBondContact O-N 2.95Å; Y728-R731 PolarHBondContact O-N 3.46Å; Y728-K732 HydrophobicContact CD2-CG 4.47Å; Y728-K732 HydrophobicContact CE1-CG 4.26Å; Y728-K732 HydrophobicContact CE2-CG 3.9Å; Y728-K732 PolarHBondContact O-N 3.17Å |
| 729 | N | 94.3 | Very high | 95.1 | Very high | 51 Ų | 51 | 96.9 Ų | 96.9 | 27% | 0.273 | 46% | 0.456 | S | S | . | . | H | α-helix | trans | -64.8 | -40.1 | -178.2 | -73.6 | -30.1 | 0 | 0 | 0 | 112.6 | F725 R731 K732 Y733 | F725-N729 VanDerWaalsContact CD1-ND2 3.26Å; F725-N729 WeakPolarHBondContact CD1-ND2 3.34Å; F725-N729 WeakPolarHBondContact CD2-ND2 3.43Å; F725-N729 WeakPolarHBondContact CE1-ND2 3.44Å; F725-N729 WeakPolarHBondContact CE2-ND2 3.26Å; F725-N729 WeakPolarHBondContact CG-ND2 3.19Å; F725-N729 WeakPolarHBondContact CZ-ND2 3.15Å; F725-N729 VanDerWaalsContact O-CB 3.27Å; F725-N729 WeakPolarHBondContact O-CB 3.05Å; F725-N729 VanDerWaalsContact O-CG 3.3Å; F725-N729 PolarHBondContact O-N 2.93Å; F725-N729 PolarHBondContact O-ND2 2.9Å; N729-R731 VanDerWaalsContact C-N 3.34Å; N729-R731 PolarHBondContact O-N 3.27Å; N729-K732 PolarHBondContact O-N 2.79Å; N729-Y733 WeakPolarHBondContact O-CB 3.48Å; N729-Y733 PolarHBondContact O-N 3.4Å |
| 730 | R | 95 | Very high | 95.2 | Very high | 196 Ų | 196 | 101 Ų | 101 | 74% | 0.74 | 47% | 0.473 | S | S | * | . | H | α-helix | trans | -62.4 | -42.6 | 176.5 | -164.1 | 176.9 | -160.9 | 173.8 | 6.4 | 111.5 | R726 Y728 L734 | R726-R730 VanDerWaalsContact O-CB 3.26Å; R726-R730 WeakPolarHBondContact O-CB 3.38Å; R726-R730 PolarHBondContact O-N 2.9Å; Y728-R730 PolarHBondContact O-N 2.95Å; R730-L734 VanDerWaalsContact O-CG 3.31Å; R730-L734 WeakPolarHBondContact O-CG 3.29Å; R730-L734 PolarHBondContact O-N 2.63Å; R730-L734 VanDerWaalsContact O-N 3.14Å |
| 731 | R | 96.2 | Very high | 95.2 | Very high | 134 Ų | 134 | 99 Ų | 99 | 51% | 0.506 | 47% | 0.47 | S | S | . | . | H | α-helix | trans | -62.2 | -52.3 | 174.7 | 179.6 | 175.8 | 62.5 | 87.7 | -11.3 | 111.5 | R727 Y728 N729 Y733 L734 E735 | R727-R731 WeakPolarHBondContact O-CB 3.26Å; R727-R731 PolarHBondContact O-N 3.46Å; Y728-R731 PolarHBondContact O-N 3.46Å; N729-R731 VanDerWaalsContact C-N 3.34Å; N729-R731 PolarHBondContact O-N 3.27Å; R731-Y733 PolarHBondContact O-N 3.5Å; R731-L734 PolarHBondContact O-N 2.93Å; R731-E735 IonicContact NH1-OE2 2.79Å; R731-E735 WeakPolarHBondContact O-CB 3.37Å; R731-E735 PolarHBondContact O-N 2.88Å |
| 732 | K | 95.6 | Very high | 95.2 | Very high | 61 Ų | 61 | 99.7 Ų | 99.7 | 27% | 0.265 | 48% | 0.477 | S | S | . | . | H | α-helix | trans | -66.5 | -34.2 | -178.3 | -82.7 | -73.8 | 172.3 | -164.6 | 0 | 113.1 | Y728 N729 E735 I736 | Y728-K732 HydrophobicContact CD2-CG 4.47Å; Y728-K732 HydrophobicContact CE1-CG 4.26Å; Y728-K732 HydrophobicContact CE2-CG 3.9Å; Y728-K732 PolarHBondContact O-N 3.17Å; N729-K732 PolarHBondContact O-N 2.79Å; K732-E735 WeakPolarHBondContact CD-OE2 3.36Å; K732-E735 VanDerWaalsContact CE-OE2 3.29Å; K732-E735 WeakPolarHBondContact CE-OE2 3.42Å; K732-E735 IonicContact NZ-OE1 3.97Å; K732-E735 PolarHBondContact NZ-OE1 3.46Å; K732-E735 IonicContact NZ-OE2 3.37Å; K732-E735 PolarHBondContact NZ-OE2 2.95Å; K732-E735 PolarHBondContact O-N 3.32Å; K732-I736 WeakPolarHBondContact O-CB 3.31Å; K732-I736 WeakPolarHBondContact O-CD1 3.39Å; K732-I736 WeakPolarHBondContact O-CG1 3.2Å; K732-I736 PolarHBondContact O-N 3.14Å |
| 733 | Y | 96.1 | Very high | 95.1 | Very high | 142 Ų | 142 | 100.3 Ų | 100.3 | 56% | 0.557 | 48% | 0.48 | S | S | * | . | H | α-helix | trans | -62.2 | -47.6 | 172.3 | 177.1 | -95.5 | 0 | 0 | 0 | 111.6 | N729 R731 E735 I736 M737 | N729-Y733 WeakPolarHBondContact O-CB 3.48Å; N729-Y733 PolarHBondContact O-N 3.4Å; R731-Y733 PolarHBondContact O-N 3.5Å; Y733-E735 PolarHBondContact O-N 2.92Å; Y733-I736 PolarHBondContact O-N 3.27Å; Y733-M737 HydrophobicContact CD1-CG 4.11Å; Y733-M737 HydrophobicContact CD2-CG 4.33Å; Y733-M737 HydrophobicContact CE1-CG 3.7Å; Y733-M737 HydrophobicContact CE2-CG 3.95Å; Y733-M737 HydrophobicContact CE2-SD 4.27Å; Y733-M737 HydrophobicContact CG-CG 4.4Å; Y733-M737 WeakPolarHBondContact O-CB 3.23Å; Y733-M737 VanDerWaalsContact O-CG 3.23Å; Y733-M737 WeakPolarHBondContact O-CG 3.36Å; Y733-M737 PolarHBondContact O-N 3.46Å |
| 734 | L | 97.8 | Very high | 95 | Very high | 107 Ų | 107 | 98.7 Ų | 98.7 | 56% | 0.56 | 47% | 0.471 | S | S | * | . | H | α-helix | trans | -63.3 | -41.4 | 176.9 | -70.2 | 170.5 | 0 | 0 | 0 | 112 | R730 R731 M737 A738 | R730-L734 VanDerWaalsContact O-CG 3.31Å; R730-L734 WeakPolarHBondContact O-CG 3.29Å; R730-L734 PolarHBondContact O-N 2.63Å; R730-L734 VanDerWaalsContact O-N 3.14Å; R731-L734 PolarHBondContact O-N 2.93Å; L734-M737 PolarHBondContact O-N 2.85Å; L734-A738 WeakPolarHBondContact O-CB 3.36Å; L734-A738 PolarHBondContact O-N 3.37Å |
| 735 | E | 97.1 | Very high | 94.8 | Very high | 91 Ų | 91 | 94.3 Ų | 94.3 | 43% | 0.425 | 46% | 0.461 | S | S | . | . | H | α-helix | trans | -56.6 | -51.8 | 174 | -164.3 | -174.9 | 135.2 | 0 | 0 | 111.1 | R731 K732 Y733 M737 A738 E739 | R731-E735 IonicContact NH1-OE2 2.79Å; R731-E735 WeakPolarHBondContact O-CB 3.37Å; R731-E735 PolarHBondContact O-N 2.88Å; K732-E735 WeakPolarHBondContact CD-OE2 3.36Å; K732-E735 VanDerWaalsContact CE-OE2 3.29Å; K732-E735 WeakPolarHBondContact CE-OE2 3.42Å; K732-E735 IonicContact NZ-OE1 3.97Å; K732-E735 PolarHBondContact NZ-OE1 3.46Å; K732-E735 IonicContact NZ-OE2 3.37Å; K732-E735 PolarHBondContact NZ-OE2 2.95Å; K732-E735 PolarHBondContact O-N 3.32Å; Y733-E735 PolarHBondContact O-N 2.92Å; E735-M737 PolarHBondContact O-N 3.39Å; E735-A738 PolarHBondContact O-N 2.89Å; E735-E739 WeakPolarHBondContact O-CB 3.41Å; E735-E739 PolarHBondContact O-N 2.83Å |
| 736 | I | 96.3 | Very high | 94.5 | Very high | 72 Ų | 72 | 94 Ų | 94 | 37% | 0.369 | 47% | 0.468 | S | S | . | . | H | α-helix | trans | -65.4 | -35.7 | 178.1 | -69.6 | 164.7 | 0 | 0 | 0 | 112.1 | K732 Y733 K740 | K732-I736 WeakPolarHBondContact O-CB 3.31Å; K732-I736 WeakPolarHBondContact O-CD1 3.39Å; K732-I736 WeakPolarHBondContact O-CG1 3.2Å; K732-I736 PolarHBondContact O-N 3.14Å; Y733-I736 PolarHBondContact O-N 3.27Å; I736-K740 HydrophobicContact CG2-CD 3.94Å; I736-K740 VanDerWaalsContact CG2-CE 3.49Å; I736-K740 HydrophobicContact CG2-CG 4.46Å; I736-K740 VanDerWaalsContact O-CB 3.31Å; I736-K740 WeakPolarHBondContact O-CB 3.37Å; I736-K740 WeakPolarHBondContact O-CG 3.2Å; I736-K740 PolarHBondContact O-N 3.45Å |
| 737 | M | 96.6 | Very high | 94 | Very high | 82 Ų | 82 | 94.9 Ų | 94.9 | 40% | 0.404 | 48% | 0.475 | S | S | . | . | H | α-helix | trans | -71.9 | -39.7 | 177.8 | -73.5 | -64.5 | -73.7 | 0 | 0 | 111.9 | Y733 L734 E735 K740 A741 | Y733-M737 HydrophobicContact CD1-CG 4.11Å; Y733-M737 HydrophobicContact CD2-CG 4.33Å; Y733-M737 HydrophobicContact CE1-CG 3.7Å; Y733-M737 HydrophobicContact CE2-CG 3.95Å; Y733-M737 HydrophobicContact CE2-SD 4.27Å; Y733-M737 HydrophobicContact CG-CG 4.4Å; Y733-M737 WeakPolarHBondContact O-CB 3.23Å; Y733-M737 VanDerWaalsContact O-CG 3.23Å; Y733-M737 WeakPolarHBondContact O-CG 3.36Å; Y733-M737 PolarHBondContact O-N 3.46Å; L734-M737 PolarHBondContact O-N 2.85Å; E735-M737 PolarHBondContact O-N 3.39Å; M737-K740 PolarHBondContact O-N 2.93Å; M737-K740 HydrophobicContact SD-CD 4.37Å; M737-A741 WeakPolarHBondContact O-CB 3.31Å; M737-A741 PolarHBondContact O-N 3.47Å |
| 738 | A | 96.9 | Very high | 93.1 | Very high | 63 Ų | 63 | 92.4 Ų | 92.4 | 52% | 0.521 | 47% | 0.471 | S | S | . | . | H | α-helix | trans | -63.9 | -43.8 | 172.1 | 0 | 0 | 0 | 0 | 0 | 111.3 | L734 E735 A741 A742 | L734-A738 WeakPolarHBondContact O-CB 3.36Å; L734-A738 PolarHBondContact O-N 3.37Å; E735-A738 PolarHBondContact O-N 2.89Å; A738-A741 PolarHBondContact O-N 2.79Å; A738-A742 WeakPolarHBondContact O-CB 3.27Å; A738-A742 PolarHBondContact O-N 3.07Å |
| 739 | E | 96.3 | Very high | 92.1 | Very high | 115 Ų | 115 | 96.5 Ų | 96.5 | 54% | 0.537 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -62.8 | -44 | 176 | -161.6 | -137.4 | 130.2 | 0 | 0 | 111.7 | E735 A741 A742 N743 | E735-E739 WeakPolarHBondContact O-CB 3.41Å; E735-E739 PolarHBondContact O-N 2.83Å; E739-A741 VanDerWaalsContact C-N 3.35Å; E739-A741 PolarHBondContact O-N 3.25Å; E739-A742 PolarHBondContact O-N 3.35Å; E739-N743 VanDerWaalsContact O-CB 3.27Å; E739-N743 WeakPolarHBondContact O-CB 3.41Å; E739-N743 PolarHBondContact O-N 2.86Å; E739-N743 PolarHBondContact O-ND2 2.9Å; E739-N743 VanDerWaalsContact O-ND2 3.07Å; E739-N743 PolarHBondContact OE1-ND2 2.97Å |
| 740 | K | 95.4 | Very high | 91.2 | Very high | 126 Ų | 126 | 103.5 Ų | 103.5 | 55% | 0.548 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -60.3 | -41.7 | 173.2 | -77.9 | 169.6 | -179.4 | 174.9 | 0 | 112.2 | I736 M737 A744 | I736-K740 HydrophobicContact CG2-CD 3.94Å; I736-K740 VanDerWaalsContact CG2-CE 3.49Å; I736-K740 HydrophobicContact CG2-CG 4.46Å; I736-K740 VanDerWaalsContact O-CB 3.31Å; I736-K740 WeakPolarHBondContact O-CB 3.37Å; I736-K740 WeakPolarHBondContact O-CG 3.2Å; I736-K740 PolarHBondContact O-N 3.45Å; M737-K740 PolarHBondContact O-N 2.93Å; M737-K740 HydrophobicContact SD-CD 4.37Å; K740-A744 VanDerWaalsContact O-CB 3.31Å; K740-A744 WeakPolarHBondContact O-CB 3.31Å; K740-A744 PolarHBondContact O-N 3.41Å |
| 741 | A | 94.8 | Very high | 90.3 | Very high | 61 Ų | 61 | 101.2 Ų | 101.2 | 50% | 0.504 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -65.6 | -45 | 176.6 | 0 | 0 | 0 | 0 | 0 | 111.8 | M737 A738 E739 A744 A745 | M737-A741 WeakPolarHBondContact O-CB 3.31Å; M737-A741 PolarHBondContact O-N 3.47Å; A738-A741 PolarHBondContact O-N 2.79Å; E739-A741 VanDerWaalsContact C-N 3.35Å; E739-A741 PolarHBondContact O-N 3.25Å; A741-A744 PolarHBondContact O-N 3.45Å; A741-A745 WeakPolarHBondContact O-CB 3.45Å; A741-A745 PolarHBondContact O-N 2.81Å |
| 742 | A | 92.9 | Very high | 89.1 | Confident | 63 Ų | 63 | 102.4 Ų | 102.4 | 52% | 0.521 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -62.2 | -45.1 | 175.4 | 0 | 0 | 0 | 0 | 0 | 111.8 | A738 E739 A744 A745 G746 | A738-A742 WeakPolarHBondContact O-CB 3.27Å; A738-A742 PolarHBondContact O-N 3.07Å; E739-A742 PolarHBondContact O-N 3.35Å; A742-A744 VanDerWaalsContact C-N 3.33Å; A742-A744 PolarHBondContact O-N 3.24Å; A742-A745 PolarHBondContact O-N 3.43Å; A742-G746 PolarHBondContact O-N 2.86Å |
| 743 | N | 91.9 | Very high | 87.9 | Confident | 79 Ų | 79 | 106.6 Ų | 106.6 | 42% | 0.422 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -62.2 | -37.6 | 174.4 | -80.6 | -45.5 | 0 | 0 | 0 | 112.4 | E739 K747 | E739-N743 VanDerWaalsContact O-CB 3.27Å; E739-N743 WeakPolarHBondContact O-CB 3.41Å; E739-N743 PolarHBondContact O-N 2.86Å; E739-N743 PolarHBondContact O-ND2 2.9Å; E739-N743 VanDerWaalsContact O-ND2 3.07Å; E739-N743 PolarHBondContact OE1-ND2 2.97Å; N743-K747 WeakPolarHBondContact O-CB 3.42Å; N743-K747 VanDerWaalsContact O-CG 3.26Å; N743-K747 WeakPolarHBondContact O-CG 3.41Å; N743-K747 PolarHBondContact O-N 3.26Å |
| 744 | A | 92.6 | Very high | 86.4 | Confident | 45 Ų | 45 | 108.2 Ų | 108.2 | 37% | 0.372 | 55% | 0.545 | S | S | . | . | H | α-helix | trans | -68.2 | -41.5 | 174.1 | 0 | 0 | 0 | 0 | 0 | 112.1 | K740 A741 A742 K747 K748 | K740-A744 VanDerWaalsContact O-CB 3.31Å; K740-A744 WeakPolarHBondContact O-CB 3.31Å; K740-A744 PolarHBondContact O-N 3.41Å; A741-A744 PolarHBondContact O-N 3.45Å; A742-A744 VanDerWaalsContact C-N 3.33Å; A742-A744 PolarHBondContact O-N 3.24Å; A744-K747 PolarHBondContact O-N 3.43Å; A744-K748 WeakPolarHBondContact O-CG 3.48Å; A744-K748 PolarHBondContact O-N 3.05Å |
| 745 | A | 89.1 | Confident | 84.7 | Confident | 57 Ų | 57 | 109.2 Ų | 109.2 | 47% | 0.471 | 55% | 0.545 | S | S | . | . | H | α-helix | trans | -63.6 | -44.9 | 174.4 | 0 | 0 | 0 | 0 | 0 | 111.7 | A741 A742 K747 K748 F749 | A741-A745 WeakPolarHBondContact O-CB 3.45Å; A741-A745 PolarHBondContact O-N 2.81Å; A742-A745 PolarHBondContact O-N 3.43Å; A745-K747 VanDerWaalsContact C-N 3.35Å; A745-K747 PolarHBondContact O-N 2.83Å; A745-K748 WeakPolarHBondContact O-CB 3.26Å; A745-K748 PolarHBondContact O-N 2.88Å; A745-K748 VanDerWaalsContact O-N 3.13Å; A745-F749 PolarHBondContact O-N 2.93Å |
| 746 | G | 86.7 | Confident | 82.8 | Confident | 32 Ų | 32 | 115 Ų | 115 | 33% | 0.33 | 56% | 0.563 | S | S | . | * | H | α-helix | trans | -60.2 | -40.5 | 173.9 | 0 | 0 | 0 | 0 | 0 | 112.8 | A742 F749 R750 | A742-G746 PolarHBondContact O-N 2.86Å; G746-F749 PolarHBondContact O-N 3.35Å; G746-R750 WeakPolarHBondContact O-CB 3.43Å; G746-R750 WeakPolarHBondContact O-CG 3.35Å; G746-R750 PolarHBondContact O-N 3.13Å |
| 747 | K | 82.8 | Confident | 80.6 | Confident | 147 Ų | 147 | 122 Ų | 122 | 64% | 0.639 | 60% | 0.601 | S | S | * | * | H | α-helix | trans | -62.5 | -43.3 | 171.5 | -75.7 | 171.3 | -177.3 | -179.9 | 0 | 112 | N743 A744 A745 K751 | N743-K747 WeakPolarHBondContact O-CB 3.42Å; N743-K747 VanDerWaalsContact O-CG 3.26Å; N743-K747 WeakPolarHBondContact O-CG 3.41Å; N743-K747 PolarHBondContact O-N 3.26Å; A744-K747 PolarHBondContact O-N 3.43Å; A745-K747 VanDerWaalsContact C-N 3.35Å; A745-K747 PolarHBondContact O-N 2.83Å; K747-K751 WeakPolarHBondContact O-CG 3.46Å; K747-K751 PolarHBondContact O-N 2.96Å |
| 748 | K | 77.4 | Confident | 79.8 | Confident | 159 Ų | 159 | 124.1 Ų | 124.1 | 69% | 0.691 | 61% | 0.611 | S | S | * | * | H | α-helix | trans | -62.2 | -44.2 | 174.6 | -72.3 | 176.2 | 180 | -177 | 0 | 111.8 | A744 A745 K751 K752 | A744-K748 WeakPolarHBondContact O-CG 3.48Å; A744-K748 PolarHBondContact O-N 3.05Å; A745-K748 WeakPolarHBondContact O-CB 3.26Å; A745-K748 PolarHBondContact O-N 2.88Å; A745-K748 VanDerWaalsContact O-N 3.13Å; K748-K751 PolarHBondContact O-N 3.37Å; K748-K752 PolarHBondContact O-N 3.39Å |
| 749 | F | 72.3 | Confident | 78.9 | Confident | 144 Ų | 144 | 127.3 Ų | 127.3 | 63% | 0.632 | 62% | 0.616 | S | S | * | * | H | α-helix | trans | -65.1 | -45.2 | 177.9 | -174.7 | -103 | 0 | 0 | 0 | 112.4 | A745 G746 K751 K752 K753 | A745-F749 PolarHBondContact O-N 2.93Å; G746-F749 PolarHBondContact O-N 3.35Å; F749-K751 VanDerWaalsContact C-N 3.31Å; F749-K751 PolarHBondContact O-N 3.15Å; F749-K752 PolarHBondContact O-N 2.87Å; F749-K752 VanDerWaalsContact O-N 3.15Å; F749-K753 PolarHBondContact O-N 3.26Å |
| 750 | R | 76.2 | Confident | 77.9 | Confident | 198 Ų | 198 | 127.9 Ų | 127.9 | 75% | 0.747 | 62% | 0.62 | S | S | * | * | H | α-helix | trans | -60 | -38.5 | 174.4 | -73.8 | 178.1 | 73.8 | -176.4 | 3.6 | 112.2 | G746 K754 | G746-R750 WeakPolarHBondContact O-CB 3.43Å; G746-R750 WeakPolarHBondContact O-CG 3.35Å; G746-R750 PolarHBondContact O-N 3.13Å; R750-K754 PolarHBondContact O-N 3.32Å |
| 751 | K | 74.6 | Confident | 76.9 | Confident | 147 Ų | 147 | 128.1 Ų | 128.1 | 64% | 0.639 | 62% | 0.624 | S | S | * | * | H | α-helix | trans | -63.6 | -49.5 | 170.9 | -74.5 | -173.3 | 176.2 | -168.1 | 0 | 111.5 | K747 K748 F749 K753 K754 F755 | K747-K751 WeakPolarHBondContact O-CG 3.46Å; K747-K751 PolarHBondContact O-N 2.96Å; K748-K751 PolarHBondContact O-N 3.37Å; F749-K751 VanDerWaalsContact C-N 3.31Å; F749-K751 PolarHBondContact O-N 3.15Å; K751-K753 VanDerWaalsContact C-N 3.3Å; K751-K753 PolarHBondContact O-N 3.23Å; K751-K754 PolarHBondContact O-N 3.37Å; K751-K754 VanDerWaalsContact O-N 3.13Å; K751-F755 WeakPolarHBondContact O-CD2 3.2Å; K751-F755 PolarHBondContact O-N 3.13Å |
| 752 | K | 72 | Confident | 75.8 | Confident | 160 Ų | 160 | 132.3 Ų | 132.3 | 70% | 0.696 | 63% | 0.632 | S | S | * | * | H | α-helix | trans | -61.2 | -34.1 | 179.4 | -168.7 | 173.8 | -178.1 | 178.1 | 0 | 113.1 | K748 F749 | K748-K752 PolarHBondContact O-N 3.39Å; F749-K752 PolarHBondContact O-N 2.87Å; F749-K752 VanDerWaalsContact O-N 3.15Å |
| 753 | K | 69.4 | Low | 74.6 | Confident | 148 Ų | 148 | 136.9 Ų | 136.9 | 64% | 0.643 | 64% | 0.639 | S | S | * | * | H | α-helix | trans | -72.6 | -28.9 | 175.7 | -168.6 | 172.8 | -178.6 | 179.7 | 0 | 113.3 | F749 K751 | F749-K753 PolarHBondContact O-N 3.26Å; K751-K753 VanDerWaalsContact C-N 3.3Å; K751-K753 PolarHBondContact O-N 3.23Å |
| 754 | K | 65.6 | Low | 73.4 | Confident | 177 Ų | 177 | 141 Ų | 141 | 77% | 0.77 | 66% | 0.655 | S | S | * | * | H | α-helix | trans | -69.5 | -36.8 | 174.5 | -81 | -164.2 | 168.5 | -157.1 | 0 | 113.1 | R750 K751 R756 | R750-K754 PolarHBondContact O-N 3.32Å; K751-K754 PolarHBondContact O-N 3.37Å; K751-K754 VanDerWaalsContact O-N 3.13Å; K754-R756 VanDerWaalsContact C-N 3.25Å; K754-R756 PolarHBondContact O-N 2.75Å |
| 755 | F | 62 | Low | 71.9 | Confident | 127 Ų | 127 | 148.4 Ų | 148.4 | 56% | 0.557 | 68% | 0.676 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -88.5 | 36.5 | -180 | -58.7 | -64.1 | 0 | 0 | 0 | 113.4 | K751 | K751-F755 WeakPolarHBondContact O-CD2 3.2Å; K751-F755 PolarHBondContact O-N 3.13Å |
| 756 | R | 58 | Low | 70.5 | Confident | 214 Ų | 214 | 156 Ų | 156 | 81% | 0.808 | 69% | 0.694 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -144.7 | 24.4 | -177 | -145.3 | -173 | -177.1 | -155.4 | -2.4 | 114.5 | K754 | K754-R756 VanDerWaalsContact C-N 3.25Å; K754-R756 PolarHBondContact O-N 2.75Å |
| 757 | N | 48.9 | Very low | 69 | Low | 219 Ų | 219 | 167.3 Ų | 167.3 | 100% | 1.171 | 73% | 0.727 | S | S | * | * | | | trans | -119.5 | 0 | 164.8 | -73.9 | 26.4 | 0 | 0 | 0 | 108.1 | | |