| 1 | M | 28.7 | Very low | 29.3 | Very low | 211 Ų | 211 | 165.5 Ų | 165.5 | 100% | 1.039 | 81% | 0.812 | S | S | * | * | | | | 0 | 67.7 | 0 | -172.7 | 175.8 | 71.3 | 0 | 0 | 110.4 | | |
| 2 | W | 26.9 | Very low | 29.3 | Very low | 236 Ų | 236 | 166.2 Ų | 166.2 | 89% | 0.894 | 81% | 0.812 | S | S | * | * | | | trans | -144.3 | 12.2 | -170.1 | -118 | 61.8 | 0 | 0 | 0 | 114.7 | | |
| 3 | V | 28.8 | Very low | 29.3 | Very low | 140 Ų | 140 | 171.8 Ų | 171.8 | 85% | 0.848 | 82% | 0.819 | S | S | * | * | S | Bend | trans | -97.6 | -4.7 | -175.6 | 179.7 | 0 | 0 | 0 | 0 | 112.3 | | |
| 4 | Q | 27.1 | Very low | 29.3 | Very low | 187 Ų | 187 | 165.8 Ų | 165.8 | 87% | 0.874 | 80% | 0.804 | S | S | * | * | S | Bend | trans | -119.2 | 35 | -167.4 | -152.6 | 160.1 | -2.1 | 0 | 0 | 113.5 | | |
| 5 | T | 32.3 | Very low | 29.1 | Very low | 108 Ų | 108 | 165.3 Ų | 165.3 | 66% | 0.663 | 81% | 0.807 | S | S | * | * | S | Bend | trans | -131.9 | 10.3 | 177.7 | -20.7 | 0 | 0 | 0 | 0 | 113.4 | | |
| 6 | W | 30.7 | Very low | 29 | Very low | 231 Ų | 231 | 170.3 Ų | 170.3 | 88% | 0.875 | 81% | 0.814 | S | S | * | * | S | Bend | trans | -113.7 | -19.2 | -176.1 | -141.7 | 52.1 | 0 | 0 | 0 | 114.7 | | |
| 7 | C | 29.7 | Very low | 29.1 | Very low | 111 Ų | 111 | 171.1 Ų | 171.1 | 75% | 0.75 | 82% | 0.817 | S | S | * | * | S | Bend | trans | -80.3 | -20 | -177.2 | -64.3 | 0 | 0 | 0 | 0 | 115 | | |
| 8 | E | 27.5 | Very low | 29.1 | Very low | 174 Ų | 174 | 170.6 Ų | 170.6 | 81% | 0.813 | 82% | 0.82 | S | S | * | * | S | Bend | trans | -93.6 | -15.4 | -175.4 | -64.5 | -170.3 | 137.3 | 0 | 0 | 114.5 | | |
| 9 | N | 29.4 | Very low | 29.1 | Very low | 133 Ų | 133 | 168.1 Ų | 168.1 | 71% | 0.711 | 82% | 0.819 | S | S | * | * | S | Bend | trans | -94.2 | -1.7 | 179.3 | -82.2 | -67 | 0 | 0 | 0 | 114.3 | | |
| 10 | A | 31.8 | Very low | 29.1 | Very low | 77 Ų | 77 | 169.3 Ų | 169.3 | 64% | 0.636 | 82% | 0.823 | S | S | * | * | S | Bend | trans | -81.9 | -22.4 | 178.4 | 0 | 0 | 0 | 0 | 0 | 113.7 | | |
| 11 | Y | 29 | Very low | 29.2 | Very low | 212 Ų | 212 | 167.1 Ų | 167.1 | 83% | 0.831 | 83% | 0.825 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -94.5 | 4.4 | -169.7 | -124.7 | -88.3 | 0 | 0 | 0 | 115.5 | | |
| 12 | H | 30.1 | Very low | 29.5 | Very low | 174 Ų | 174 | 162.4 Ų | 162.4 | 81% | 0.806 | 81% | 0.812 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -128.1 | 24.6 | -174.9 | -98.8 | -50.5 | 0 | 0 | 0 | 114.5 | | |
| 13 | R | 29.2 | Very low | 29.5 | Very low | 239 Ų | 239 | 158 Ų | 158 | 90% | 0.902 | 81% | 0.807 | S | S | * | * | S | Bend | trans | -126 | 5.4 | 179.2 | -116.5 | -177.8 | -174.2 | -148.5 | 0.5 | 117.2 | | |
| 14 | S | 28.4 | Very low | 29.7 | Very low | 88 Ų | 88 | 158 Ų | 158 | 62% | 0.615 | 80% | 0.802 | S | S | * | * | S | Bend | trans | -93.5 | 167.5 | 150.5 | 51.7 | 0 | 0 | 0 | 0 | 109.8 | | |
| 15 | N | 26.6 | Very low | 30 | Very low | 159 Ų | 159 | 157.2 Ų | 157.2 | 85% | 0.85 | 80% | 0.798 | S | S | * | * | | | trans | 60.4 | 70.8 | 175 | -58.1 | -5.2 | 0 | 0 | 0 | 116.1 | | |
| 16 | R | 27.3 | Very low | 29.9 | Very low | 244 Ų | 244 | 160.5 Ų | 160.5 | 92% | 0.921 | 80% | 0.803 | S | S | * | * | | | trans | -149.7 | 30.4 | 157.2 | -134.1 | -179.8 | -166.8 | -172 | 4.6 | 118.6 | | |
| 17 | E | 30.7 | Very low | 29.7 | Very low | 184 Ų | 184 | 157.5 Ų | 157.5 | 86% | 0.86 | 80% | 0.798 | S | S | * | * | S | Bend | trans | -129.6 | 152.3 | 162.5 | -65.5 | -171.8 | 162.9 | 0 | 0 | 109.4 | | |
| 18 | N | 29.5 | Very low | 29.6 | Very low | 163 Ų | 163 | 161.4 Ų | 161.4 | 87% | 0.872 | 80% | 0.799 | S | S | * | * | | | trans | 58.2 | 93.2 | -175.3 | -68.9 | -2.4 | 0 | 0 | 0 | 118.8 | | |
| 19 | P | 28.6 | Very low | 29.7 | Very low | 122 Ų | 122 | 159.8 Ų | 159.8 | 79% | 0.792 | 79% | 0.794 | S | S | * | * | | | trans | -111 | 89.9 | 157.2 | 35.6 | -22.7 | 0 | 0 | 0 | 111.8 | | |
| 20 | E | 28.8 | Very low | 29.6 | Very low | 192 Ų | 192 | 160.4 Ų | 160.4 | 90% | 0.897 | 79% | 0.793 | S | S | * | * | | | trans | -174.7 | 92 | 160.9 | -111.7 | 164.6 | -138.2 | 0 | 0 | 112.5 | | |
| 21 | S | 32.4 | Very low | 29.2 | Very low | 125 Ų | 125 | 161.5 Ų | 161.5 | 87% | 0.874 | 80% | 0.796 | S | S | * | * | | | trans | 179.9 | 145.4 | 145.5 | 28.1 | 0 | 0 | 0 | 0 | 112.6 | | |
| 22 | S | 33.7 | Very low | 29.2 | Very low | 111 Ų | 111 | 158.9 Ų | 158.9 | 78% | 0.776 | 80% | 0.795 | S | S | * | * | | | trans | -61.4 | 121.2 | -168.3 | 48.2 | 0 | 0 | 0 | 0 | 118.6 | | |
| 23 | N | 28.8 | Very low | 29.1 | Very low | 144 Ų | 144 | 155.1 Ų | 155.1 | 77% | 0.77 | 79% | 0.786 | S | S | * | * | | | | 33 | 139.2 | 119.5 | -73.8 | 2.1 | 0 | 0 | 0 | 123 | | |
| 24 | N | 32.1 | Very low | 28.9 | Very low | 139 Ų | 139 | 153.4 Ų | 153.4 | 74% | 0.743 | 78% | 0.781 | S | S | * | * | | | trans | 84.3 | 93.2 | 144.7 | -62 | -7.4 | 0 | 0 | 0 | 121.3 | | |
| 25 | H | 32.8 | Very low | 28.9 | Very low | 172 Ų | 172 | 156 Ų | 156 | 80% | 0.796 | 79% | 0.787 | S | S | * | * | | | | -159.2 | 126.6 | 113 | -110.3 | 59.5 | 0 | 0 | 0 | 114.7 | | |
| 26 | F | 30.3 | Very low | 28.8 | Very low | 177 Ų | 177 | 158 Ų | 158 | 78% | 0.776 | 78% | 0.784 | S | S | * | * | | | trans | 45.3 | 94.9 | 149.1 | -73.9 | -102.5 | 0 | 0 | 0 | 123.8 | | |
| 27 | H | 26.9 | Very low | 28.8 | Very low | 167 Ų | 167 | 152.1 Ų | 152.1 | 77% | 0.773 | 78% | 0.778 | S | S | * | * | | | | 26 | 147.1 | 111.8 | -92.4 | -76.7 | 0 | 0 | 0 | 124.5 | | |
| 28 | Y | 28.1 | Very low | 28.5 | Very low | 193 Ų | 193 | 147.8 Ų | 147.8 | 76% | 0.757 | 77% | 0.768 | S | S | * | * | | | trans | 72.1 | 137.1 | 161.1 | -91 | -113.3 | 0 | 0 | 0 | 115.5 | | |
| 29 | I | 29.7 | Very low | 28.3 | Very low | 141 Ų | 141 | 146.6 Ų | 146.6 | 72% | 0.723 | 76% | 0.761 | S | S | * | * | | | cis | -130.8 | 129.5 | 11.2 | -75.7 | 176.6 | 0 | 0 | 0 | 107.9 | | |
| 30 | Q | 26 | Very low | 28.3 | Very low | 146 Ų | 146 | 149 Ų | 149 | 68% | 0.682 | 76% | 0.76 | S | S | * | * | | | | 74.2 | 109.7 | 77.5 | -133 | -177.6 | -9.5 | 0 | 0 | 116.6 | | |
| 31 | S | 24.3 | Very low | 28.4 | Very low | 100 Ų | 100 | 146.5 Ų | 146.5 | 70% | 0.699 | 75% | 0.749 | S | S | * | * | | | trans | 27.6 | 118.8 | 151.4 | 59.5 | 0 | 0 | 0 | 0 | 122.1 | | |
| 32 | I | 28.5 | Very low | 28.3 | Very low | 156 Ų | 156 | 146.1 Ų | 146.1 | 80% | 0.8 | 74% | 0.737 | S | S | * | * | | | trans | -134.3 | 119.7 | 149.9 | -59.9 | 178.9 | 0 | 0 | 0 | 109.7 | | |
| 33 | P | 27.8 | Very low | 28.1 | Very low | 96 Ų | 96 | 147 Ų | 147 | 62% | 0.623 | 73% | 0.732 | S | S | * | * | | | trans | -96.5 | 159.6 | 155.4 | 36 | -29.2 | 0 | 0 | 0 | 111.1 | | |
| 34 | Y | 25.2 | Very low | 28.2 | Very low | 203 Ų | 203 | 147.2 Ų | 147.2 | 80% | 0.796 | 73% | 0.732 | S | S | * | * | | | trans | 66.3 | 156.6 | -174 | -53.9 | -88.2 | 0 | 0 | 0 | 113.1 | | |
| 35 | N | 28.1 | Very low | 28 | Very low | 141 Ų | 141 | 148.2 Ų | 148.2 | 75% | 0.754 | 73% | 0.732 | S | S | * | * | | | cis | -143.9 | 168.7 | 13 | -142.5 | -6 | 0 | 0 | 0 | 112.8 | | |
| 36 | Y | 25.3 | Very low | 27.9 | Very low | 201 Ų | 201 | 147 Ų | 147 | 79% | 0.788 | 73% | 0.732 | S | S | * | * | | | trans | -65.7 | 161.4 | 166.4 | -104.4 | -103 | 0 | 0 | 0 | 111.3 | | |
| 37 | P | 27.1 | Very low | 27.8 | Very low | 121 Ų | 121 | 145.4 Ų | 145.4 | 79% | 0.786 | 73% | 0.731 | S | S | * | * | | | | -130.1 | 153.7 | 122 | 37.6 | -31.7 | 0 | 0 | 0 | 113.1 | | |
| 38 | S | 23.6 | Very low | 27.9 | Very low | 93 Ų | 93 | 145 Ų | 145 | 65% | 0.65 | 74% | 0.735 | S | S | * | * | | | trans | -157.2 | 160.8 | 166 | -75.1 | 0 | 0 | 0 | 0 | 109 | | |
| 39 | I | 27 | Very low | 28.3 | Very low | 139 Ų | 139 | 140.4 Ų | 140.4 | 71% | 0.713 | 73% | 0.728 | S | S | * | * | | | trans | 71.4 | 109.1 | 179 | -47.3 | 176.1 | 0 | 0 | 0 | 114 | | |
| 40 | H | 27.6 | Very low | 28.3 | Very low | 171 Ų | 171 | 140.3 Ų | 140.3 | 79% | 0.792 | 73% | 0.73 | S | S | * | * | | | trans | -100.5 | 150.8 | 140 | -145.1 | -69.9 | 0 | 0 | 0 | 107 | | |
| 41 | E | 31 | Very low | 28.5 | Very low | 140 Ų | 140 | 140.7 Ų | 140.7 | 65% | 0.654 | 74% | 0.735 | S | S | * | * | | | trans | -80 | 147.7 | -164.5 | -63.4 | 159 | 112.2 | 0 | 0 | 115.2 | | |
| 42 | N | 30 | Very low | 28.7 | Very low | 118 Ų | 118 | 142.1 Ų | 142.1 | 63% | 0.631 | 73% | 0.733 | S | S | * | * | | | | -178 | 118.9 | 125.4 | -83.5 | -26.4 | 0 | 0 | 0 | 106.1 | | |
| 43 | L | 29 | Very low | 28.7 | Very low | 128 Ų | 128 | 141.7 Ų | 141.7 | 67% | 0.67 | 73% | 0.733 | S | S | * | * | | | | 61.4 | 125.3 | 66.3 | -57.7 | 175.1 | 0 | 0 | 0 | 111.2 | | |
| 44 | I | 31.6 | Very low | 28.8 | Very low | 149 Ų | 149 | 141 Ų | 141 | 76% | 0.764 | 73% | 0.73 | S | S | * | * | | | cis | -148 | 166.7 | 5.4 | -109.9 | 158.2 | 0 | 0 | 0 | 110.9 | | |
| 45 | Q | 28.8 | Very low | 29 | Very low | 161 Ų | 161 | 141.2 Ų | 141.2 | 75% | 0.752 | 74% | 0.736 | S | S | * | * | | | trans | -83.4 | 152.8 | 174.7 | -57.2 | 163.1 | -92.3 | 0 | 0 | 112.8 | | |
| 46 | N | 30.6 | Very low | 29 | Very low | 146 Ų | 146 | 138.9 Ų | 138.9 | 78% | 0.781 | 73% | 0.73 | S | S | * | * | | | | 167.4 | 149.3 | 109.1 | -85.1 | -37.5 | 0 | 0 | 0 | 113.6 | | |
| 47 | D | 27.4 | Very low | 29.2 | Very low | 144 Ų | 144 | 138.3 Ų | 138.3 | 77% | 0.77 | 73% | 0.728 | S | S | * | * | | | trans | -85 | 145.2 | 173.6 | -50.7 | -84.7 | 0 | 0 | 0 | 112.6 | | |
| 48 | N | 29.6 | Very low | 29.4 | Very low | 158 Ų | 158 | 140.1 Ų | 140.1 | 85% | 0.845 | 73% | 0.731 | S | S | * | * | | | | -177 | 161 | 111.1 | -99.3 | -69.1 | 0 | 0 | 0 | 112.4 | | |
| 49 | P | 35.2 | Very low | 29.7 | Very low | 96 Ų | 96 | 140.7 Ų | 140.7 | 62% | 0.623 | 73% | 0.726 | S | S | * | * | | | trans | -112.8 | 175.5 | -161.1 | 42.3 | -36.8 | 0 | 0 | 0 | 116.9 | | |
| 50 | N | 30 | Very low | 30 | Very low | 140 Ų | 140 | 140 Ų | 140 | 75% | 0.749 | 72% | 0.724 | S | S | * | * | | | trans | 95.6 | 135.6 | 146.8 | -74 | -26.4 | 0 | 0 | 0 | 122 | | |
| 51 | I | 31.2 | Very low | 30.1 | Very low | 153 Ų | 153 | 141.1 Ų | 141.1 | 79% | 0.785 | 73% | 0.727 | S | S | * | * | | | trans | 73.4 | 137.1 | 159.3 | -63.9 | 156.2 | 0 | 0 | 0 | 117.1 | | |
| 52 | I | 27.9 | Very low | 30.2 | Very low | 131 Ų | 131 | 140.1 Ų | 140.1 | 67% | 0.672 | 73% | 0.725 | S | S | * | * | | | cis | -178.3 | 155.9 | -43.2 | -104.5 | 164.5 | 0 | 0 | 0 | 106.6 | | |
| 53 | N | 29.3 | Very low | 30.2 | Very low | 147 Ų | 147 | 139.2 Ų | 139.2 | 79% | 0.786 | 72% | 0.72 | S | S | * | * | | | trans | 69 | 144.4 | 176.5 | -63.9 | -21 | 0 | 0 | 0 | 117.3 | | |
| 54 | S | 29.3 | Very low | 30.3 | Very low | 82 Ų | 82 | 139.7 Ų | 139.7 | 57% | 0.573 | 73% | 0.729 | S | S | * | * | | | cis | 164.1 | 136.1 | -37.2 | 48.7 | 0 | 0 | 0 | 0 | 108.2 | | |
| 55 | F | 28.8 | Very low | 30.1 | Very low | 207 Ų | 207 | 141.6 Ų | 141.6 | 91% | 0.908 | 73% | 0.726 | S | S | * | * | | | trans | -173.9 | 170.4 | 134.9 | -98.4 | -59.1 | 0 | 0 | 0 | 110.2 | | |
| 56 | S | 29.2 | Very low | 30.3 | Very low | 91 Ų | 91 | 142.3 Ų | 142.3 | 64% | 0.636 | 73% | 0.734 | S | S | * | * | | | trans | -133 | 175 | -140.5 | -50.8 | 0 | 0 | 0 | 0 | 116.3 | | |
| 57 | Y | 29.5 | Very low | 30.3 | Very low | 190 Ų | 190 | 140.3 Ų | 140.3 | 75% | 0.745 | 73% | 0.73 | S | S | * | * | | | trans | 88.4 | 117.1 | 159.6 | -67 | -70.2 | 0 | 0 | 0 | 120.5 | | |
| 58 | N | 30.5 | Very low | 30.4 | Very low | 159 Ų | 159 | 141.2 Ų | 141.2 | 85% | 0.85 | 73% | 0.733 | S | S | * | * | | | | -153.7 | 164.6 | 91.7 | -117.1 | -37.2 | 0 | 0 | 0 | 112.9 | | |
| 59 | N | 31.2 | Very low | 30.3 | Very low | 104 Ų | 104 | 138.7 Ų | 138.7 | 56% | 0.556 | 73% | 0.728 | S | S | * | * | | | trans | -119.9 | 154.3 | -168.9 | -51.4 | -66.7 | 0 | 0 | 0 | 113.3 | | |
| 60 | N | 33 | Very low | 29.9 | Very low | 125 Ų | 125 | 144.7 Ų | 144.7 | 67% | 0.668 | 74% | 0.744 | S | S | * | * | | | | 154.4 | 124 | 111.6 | -84.4 | -34.4 | 0 | 0 | 0 | 115 | | |
| 61 | F | 30 | Very low | 29.6 | Very low | 194 Ų | 194 | 144.8 Ų | 144.8 | 85% | 0.851 | 74% | 0.744 | S | S | * | * | | | | 170.1 | 101.7 | 123.6 | -100.6 | -74.3 | 0 | 0 | 0 | 106 | | |
| 62 | I | 32.4 | Very low | 29.5 | Very low | 119 Ų | 119 | 146.6 Ų | 146.6 | 61% | 0.61 | 75% | 0.749 | S | S | * | * | | | | 70.5 | 109 | 57.4 | -57.1 | 177.5 | 0 | 0 | 0 | 110.7 | | |
| 63 | D | 29.9 | Very low | 29.7 | Very low | 99 Ų | 99 | 147.8 Ų | 147.8 | 53% | 0.529 | 76% | 0.755 | S | S | . | * | | | cis | -132.7 | -122.1 | -6.7 | -160.3 | 55.1 | 0 | 0 | 0 | 109.8 | R65 | D63-R65 IonicContact OD1-NE 4Å; D63-R65 PolarHBondContact OD1-NE 3.4Å; D63-R65 VanDerWaalsContact OD1-NE 3.17Å; D63-R65 WeakPolarHBondContact OD2-CB 3.46Å; D63-R65 VanDerWaalsContact OD2-CD 3.26Å; D63-R65 WeakPolarHBondContact OD2-CD 3.27Å; D63-R65 WeakPolarHBondContact OD2-CG 3.35Å; D63-R65 PolarHBondContact OD2-N 3.12Å; D63-R65 IonicContact OD2-NE 2.66Å |
| 64 | T | 30.8 | Very low | 30 | Very low | 139 Ų | 139 | 145.8 Ų | 145.8 | 85% | 0.853 | 75% | 0.75 | S | S | * | * | | | cis | -125.9 | 122.4 | 2.5 | -59.4 | 0 | 0 | 0 | 0 | 109.8 | | |
| 65 | R | 28.2 | Very low | 30 | Very low | 188 Ų | 188 | 145 Ų | 145 | 71% | 0.709 | 75% | 0.745 | S | S | * | * | | | trans | -78.8 | 147.6 | -169.8 | -72.6 | 154.2 | 179.3 | -124.2 | -6.8 | 115.9 | D63 | D63-R65 IonicContact OD1-NE 4Å; D63-R65 PolarHBondContact OD1-NE 3.4Å; D63-R65 VanDerWaalsContact OD1-NE 3.17Å; D63-R65 WeakPolarHBondContact OD2-CB 3.46Å; D63-R65 VanDerWaalsContact OD2-CD 3.26Å; D63-R65 WeakPolarHBondContact OD2-CD 3.27Å; D63-R65 WeakPolarHBondContact OD2-CG 3.35Å; D63-R65 PolarHBondContact OD2-N 3.12Å; D63-R65 IonicContact OD2-NE 2.66Å |
| 66 | L | 31.6 | Very low | 30.1 | Very low | 176 Ų | 176 | 137.3 Ų | 137.3 | 92% | 0.921 | 72% | 0.716 | S | S | * | * | | | trans | -93.5 | 141.7 | 133 | -68.5 | 170.4 | 0 | 0 | 0 | 108.6 | | |
| 67 | P | 31.7 | Very low | 30.1 | Very low | 105 Ų | 105 | 136.2 Ų | 136.2 | 68% | 0.682 | 71% | 0.708 | S | S | * | * | | | trans | -137.5 | 155.6 | 159.1 | 37.4 | -23.7 | 0 | 0 | 0 | 114.1 | | |
| 68 | I | 28.5 | Very low | 30.3 | Very low | 162 Ų | 162 | 133.3 Ų | 133.3 | 83% | 0.831 | 71% | 0.706 | S | S | * | * | | | trans | -125.8 | 128.9 | 164.7 | -72.4 | -178.7 | 0 | 0 | 0 | 109.1 | | |
| 69 | S | 27.2 | Very low | 30.3 | Very low | 106 Ų | 106 | 131 Ų | 131 | 74% | 0.741 | 69% | 0.693 | S | S | * | * | | | trans | 38.1 | 131.3 | 155.4 | -54.6 | 0 | 0 | 0 | 0 | 122.6 | | |
| 70 | F | 26.7 | Very low | 30.7 | Very low | 221 Ų | 221 | 131.4 Ų | 131.4 | 97% | 0.969 | 70% | 0.702 | S | S | * | * | | | trans | -150 | 162.2 | 131.7 | -106.5 | -74.3 | 0 | 0 | 0 | 110.6 | | |
| 71 | L | 25.2 | Very low | 30.5 | Very low | 143 Ų | 143 | 132.4 Ų | 132.4 | 75% | 0.749 | 71% | 0.707 | S | S | * | * | | | trans | -116.2 | 142.1 | -168.7 | -90 | 155.5 | 0 | 0 | 0 | 112.9 | | |
| 72 | Q | 29 | Very low | 30.7 | Very low | 191 Ų | 191 | 127.9 Ų | 127.9 | 89% | 0.893 | 70% | 0.7 | S | S | * | * | | | | 166.3 | 150.6 | 118.9 | -93.5 | 164.2 | -77.8 | 0 | 0 | 113 | | |
| 73 | I | 31 | Very low | 30.8 | Very low | 156 Ų | 156 | 128.1 Ų | 128.1 | 80% | 0.8 | 71% | 0.706 | S | S | * | * | | | trans | -147.5 | 136.2 | -159.7 | -62.5 | 157.4 | 0 | 0 | 0 | 112.7 | | |
| 74 | P | 35.4 | Very low | 30.9 | Very low | 104 Ų | 104 | 131.8 Ų | 131.8 | 68% | 0.675 | 72% | 0.723 | S | S | * | * | | | trans | -146.1 | 165.2 | 160.9 | 39.9 | -23.4 | 0 | 0 | 0 | 117.9 | | |
| 75 | S | 30.7 | Very low | 30.9 | Very low | 66 Ų | 66 | 132 Ų | 132 | 46% | 0.462 | 72% | 0.717 | S | S | . | * | | | trans | 83.9 | 78.7 | 145.4 | 40.3 | 0 | 0 | 0 | 0 | 124.4 | E347 | S75-E347 VanDerWaalsContact CA-CD 3.45Å; S75-E347 VanDerWaalsContact CA-OE1 3.24Å; S75-E347 WeakPolarHBondContact CA-OE1 3.21Å; S75-E347 WeakPolarHBondContact CA-OE2 3.34Å; S75-E347 PolarHBondContact N-OE1 3.09Å; S75-E347 PolarHBondContact N-OE2 3.36Å |
| 76 | S | 30.3 | Very low | 31.1 | Very low | 45 Ų | 45 | 129 Ų | 129 | 32% | 0.315 | 72% | 0.72 | S | S | . | * | | | | 95.7 | 116.6 | 99.9 | 74 | 0 | 0 | 0 | 0 | 126.1 | E347 M348 | S76-E347 WeakPolarHBondContact CA-OE2 3.46Å; S76-E347 PolarHBondContact N-OE2 3.39Å; S76-M348 WeakPolarHBondContact OG-CE 3.33Å; S76-M348 WeakPolarHBondContact OG-CG 3.48Å; S76-M348 PolarHBondContact OG-SD 3.14Å; S76-M348 VanDerWaalsContact OG-SD 3.38Å |
| 77 | C | 28.8 | Very low | 31 | Very low | 69 Ų | 69 | 124.1 Ų | 124.1 | 47% | 0.466 | 70% | 0.7 | S | S | . | * | | | | 146.2 | 123.6 | 114.4 | -80.9 | 0 | 0 | 0 | 0 | 117.8 | T346 | C77-T346 VanDerWaalsContact C-OG1 3.24Å; C77-T346 WeakPolarHBondContact CA-OG1 3.35Å; C77-T346 PolarHBondContact N-OG1 3.14Å |
| 78 | N | 33.5 | Very low | 31.1 | Very low | 128 Ų | 128 | 123.8 Ų | 123.8 | 68% | 0.684 | 69% | 0.689 | S | S | * | * | | | trans | 74.4 | 130.2 | 150.2 | -54.9 | -22.1 | 0 | 0 | 0 | 122.6 | T346 | N78-T346 PolarHBondContact N-OG1 3.28Š|
| 79 | D | 31.1 | Very low | 31.3 | Very low | 111 Ų | 111 | 123.4 Ų | 123.4 | 59% | 0.594 | 68% | 0.679 | S | S | * | * | | | trans | -104 | -122.9 | 164.7 | -57.3 | -72.3 | 0 | 0 | 0 | 110.4 | R345 | D79-R345 PolarHBondContact OD2-N 3.46Š|
| 80 | P | 38.7 | Very low | 31.4 | Very low | 113 Ų | 113 | 121.9 Ų | 121.9 | 73% | 0.734 | 67% | 0.668 | S | S | * | * | | | cis | -140.5 | 174 | -14.4 | 44.4 | -25.6 | 0 | 0 | 0 | 118.3 | | |
| 81 | N | 30.6 | Very low | 31.5 | Very low | 145 Ų | 145 | 113.7 Ų | 113.7 | 78% | 0.775 | 64% | 0.638 | S | S | * | * | | | trans | 74.2 | 130.6 | 144 | -89.1 | -9.4 | 0 | 0 | 0 | 128.5 | | |
| 82 | S | 33.1 | Very low | 31.9 | Very low | 100 Ų | 100 | 110.7 Ų | 110.7 | 70% | 0.699 | 63% | 0.629 | S | S | * | * | | | trans | -167.6 | 162.4 | 149.8 | -141.7 | 0 | 0 | 0 | 0 | 108.9 | | |
| 83 | T | 34.7 | Very low | 32.4 | Very low | 123 Ų | 123 | 107.4 Ų | 107.4 | 76% | 0.755 | 62% | 0.624 | S | S | * | * | | | cis | -139.6 | -105.7 | 3.3 | -42 | 0 | 0 | 0 | 0 | 112.3 | | |
| 84 | M | 31.1 | Very low | 32.5 | Very low | 176 Ų | 176 | 106.9 Ų | 106.9 | 87% | 0.867 | 63% | 0.628 | S | S | * | * | | | trans | -157.1 | 171.4 | -171.7 | -73.6 | -167.5 | 160.4 | 0 | 0 | 109.6 | | |
| 85 | I | 32.9 | Very low | 32.3 | Very low | 145 Ų | 145 | 107.3 Ų | 107.3 | 74% | 0.744 | 63% | 0.629 | S | S | * | * | | | cis | -158.4 | 126.9 | 48.4 | -78.4 | 178.5 | 0 | 0 | 0 | 112.9 | | |
| 86 | T | 31.7 | Very low | 32.2 | Very low | 123 Ų | 123 | 111.4 Ų | 111.4 | 76% | 0.755 | 65% | 0.645 | S | S | * | * | | | trans | 39.6 | 156.4 | 149 | 67 | 0 | 0 | 0 | 0 | 124.9 | | |
| 87 | S | 30.3 | Very low | 32.1 | Very low | 74 Ų | 74 | 115.2 Ų | 115.2 | 52% | 0.517 | 66% | 0.662 | S | S | . | * | | | cis | 161.1 | 151.7 | -46.8 | 56.6 | 0 | 0 | 0 | 0 | 113.9 | | |
| 88 | H | 32.2 | Very low | 32.1 | Very low | 98 Ų | 98 | 121.3 Ų | 121.3 | 45% | 0.454 | 68% | 0.676 | S | S | . | * | | | trans | 69.7 | 159 | 155.5 | -63.3 | -60.1 | 0 | 0 | 0 | 119.5 | D337 N338 | H88-D337 IonicContact CE1-OD1 3.53Å; H88-N338 PolarHBondContact CE1-ND2 3.19Å; H88-N338 PolarHBondContact ND1-ND2 3.45Å; H88-N338 PolarHBondContact NE2-ND2 2.75Å |
| 89 | Y | 32.4 | Very low | 32 | Very low | 154 Ų | 154 | 119.9 Ų | 119.9 | 60% | 0.604 | 68% | 0.676 | S | S | * | * | | | cis | -156.9 | 179.4 | -4.5 | -112 | -39.9 | 0 | 0 | 0 | 111.5 | N335 | Y89-N335 HydrophobicContact CE1-CB 4.18Š|
| 90 | S | 29.3 | Very low | 32 | Very low | 74 Ų | 74 | 121 Ų | 121 | 52% | 0.517 | 68% | 0.681 | S | S | . | * | | | trans | -137.8 | -174.4 | 177.6 | 65.3 | 0 | 0 | 0 | 0 | 111.4 | N335 | S90-N335 PolarHBondContact OG-ND2 2.87Å; S90-N335 PolarHBondContact OG-OD1 3.18Å |
| 91 | S | 30.6 | Very low | 31.6 | Very low | 49 Ų | 49 | 122 Ų | 122 | 34% | 0.343 | 68% | 0.681 | S | S | . | * | | | cis | -162 | 179.3 | 28.4 | -46.9 | 0 | 0 | 0 | 0 | 113.6 | N334 N335 | S91-N334 WeakPolarHBondContact CB-OD1 3.45Å; S91-N334 PolarHBondContact OG-OD1 3.49Å; S91-N335 PolarHBondContact OG-ND2 2.92Å |
| 92 | S | 32.1 | Very low | 31.7 | Very low | 81 Ų | 81 | 121.8 Ų | 121.8 | 57% | 0.566 | 68% | 0.675 | S | S | * | * | | | trans | 88.7 | 161.4 | 142.8 | -65.9 | 0 | 0 | 0 | 0 | 120.7 | | |
| 93 | P | 39.8 | Very low | 31.7 | Very low | 121 Ų | 121 | 122.9 Ų | 122.9 | 79% | 0.786 | 67% | 0.673 | S | S | * | * | | | trans | -120.3 | 173.6 | -150.4 | 43.8 | -34.4 | 0 | 0 | 0 | 116.9 | | |
| 94 | V | 34.1 | Very low | 31.7 | Very low | 145 Ų | 145 | 122.9 Ų | 122.9 | 88% | 0.879 | 67% | 0.673 | S | S | * | * | | | trans | -165.3 | 164.6 | 151.2 | 128 | 0 | 0 | 0 | 0 | 110.6 | | |
| 95 | T | 29.6 | Very low | 31.8 | Very low | 114 Ų | 114 | 121.5 Ų | 121.5 | 70% | 0.699 | 67% | 0.669 | S | S | * | * | | | trans | -113.5 | 153.2 | -171.2 | 52.6 | 0 | 0 | 0 | 0 | 115.4 | | |
| 96 | L | 29.3 | Very low | 31.7 | Very low | 152 Ų | 152 | 121.2 Ų | 121.2 | 80% | 0.796 | 67% | 0.666 | S | S | * | * | | | trans | 69.1 | 150.6 | 162.1 | -68.1 | 154.6 | 0 | 0 | 0 | 115.5 | | |
| 97 | D | 28 | Very low | 31.5 | Very low | 125 Ų | 125 | 121.4 Ų | 121.4 | 67% | 0.668 | 66% | 0.661 | S | S | * | * | | | cis | -155.4 | 174.4 | 17 | -148.8 | -18.6 | 0 | 0 | 0 | 113.5 | | |
| 98 | Y | 29.8 | Very low | 31.3 | Very low | 196 Ų | 196 | 126 Ų | 126 | 77% | 0.769 | 68% | 0.677 | S | S | * | * | | | trans | 77.6 | 121.3 | 167.5 | -85.5 | -96.7 | 0 | 0 | 0 | 122.9 | | |
| 99 | C | 31.1 | Very low | 31.2 | Very low | 99 Ų | 99 | 127 Ų | 127 | 67% | 0.669 | 70% | 0.695 | S | S | * | * | | | trans | 61.1 | 134.6 | 148.1 | -71.4 | 0 | 0 | 0 | 0 | 120.9 | | |
| 100 | D | 30.7 | Very low | 31 | Very low | 133 Ų | 133 | 127.1 Ų | 127.1 | 71% | 0.711 | 71% | 0.706 | S | S | * | * | | | cis | -148.9 | 150.9 | 1.3 | -83 | -41.5 | 0 | 0 | 0 | 111.6 | | |
| 101 | N | 30.8 | Very low | 30.9 | Very low | 135 Ų | 135 | 128.7 Ų | 128.7 | 72% | 0.722 | 72% | 0.717 | S | S | * | * | | | trans | 48.7 | 141.6 | 149.6 | -62.1 | -1.3 | 0 | 0 | 0 | 121.7 | | |
| 102 | E | 33.4 | Very low | 30.8 | Very low | 140 Ų | 140 | 134.3 Ų | 134.3 | 65% | 0.654 | 74% | 0.742 | S | S | * | * | | | cis | -167.3 | 149.6 | -4.3 | -124.6 | -177.7 | -120.1 | 0 | 0 | 110.4 | | |
| 103 | N | 32.7 | Very low | 30.8 | Very low | 124 Ų | 124 | 135.8 Ų | 135.8 | 66% | 0.663 | 75% | 0.748 | S | S | * | * | | | trans | 63 | 154.3 | 158 | -55.3 | -38.1 | 0 | 0 | 0 | 119.8 | | |
| 104 | T | 34.2 | Very low | 30.1 | Very low | 123 Ų | 123 | 136.7 Ų | 136.7 | 76% | 0.755 | 75% | 0.746 | S | S | * | * | | | cis | -170.1 | 158.8 | -24.1 | 30.5 | 0 | 0 | 0 | 0 | 107.7 | | |
| 105 | N | 32.1 | Very low | 29.7 | Very low | 146 Ų | 146 | 140.2 Ų | 140.2 | 78% | 0.781 | 75% | 0.745 | S | S | * | * | | | cis | -162.1 | 175.9 | -24.8 | -161.3 | 12.2 | 0 | 0 | 0 | 111.1 | | |
| 106 | M | 30.9 | Very low | 29.8 | Very low | 139 Ų | 139 | 141.3 Ų | 141.3 | 69% | 0.685 | 75% | 0.752 | S | S | * | * | | | trans | -28.6 | 145.3 | 165.9 | -64.6 | -86.5 | -79.2 | 0 | 0 | 118.7 | | |
| 107 | I | 28.6 | Very low | 29.8 | Very low | 127 Ų | 127 | 140 Ų | 140 | 65% | 0.651 | 75% | 0.75 | S | S | * | * | | | | 86.8 | 123.8 | 51.2 | -72.6 | 179.4 | 0 | 0 | 0 | 115.7 | | |
| 108 | M | 26.7 | Very low | 30.1 | Very low | 172 Ų | 172 | 138.9 Ų | 138.9 | 85% | 0.847 | 75% | 0.75 | S | S | * | * | | | trans | 61.1 | 135 | 160.4 | -74.5 | 170.6 | -170 | 0 | 0 | 122.7 | | |
| 109 | S | 29.4 | Very low | 30.1 | Very low | 119 Ų | 119 | 134.7 Ų | 134.7 | 83% | 0.832 | 75% | 0.745 | S | S | * | * | | | | 162.4 | 155.1 | 115 | -70.8 | 0 | 0 | 0 | 0 | 112.6 | | |
| 110 | N | 27.2 | Very low | 30 | Very low | 155 Ų | 155 | 136.4 Ų | 136.4 | 83% | 0.829 | 75% | 0.747 | S | S | * | * | | | trans | -98.5 | 152.3 | -172.8 | -77.9 | -22.7 | 0 | 0 | 0 | 114.8 | | |
| 111 | S | 27.5 | Very low | 29.9 | Very low | 108 Ų | 108 | 135.2 Ų | 135.2 | 76% | 0.755 | 75% | 0.749 | S | S | * | * | | | trans | 48.3 | 115.8 | 148.3 | 61.8 | 0 | 0 | 0 | 0 | 120 | | |
| 112 | L | 29 | Very low | 30 | Very low | 166 Ų | 166 | 136 Ų | 136 | 87% | 0.869 | 75% | 0.752 | S | S | * | * | | | | -166.1 | 175.4 | 118.3 | -106.7 | 165.5 | 0 | 0 | 0 | 113.2 | | |
| 113 | T | 31.2 | Very low | 29.7 | Very low | 113 Ų | 113 | 134.1 Ų | 134.1 | 69% | 0.693 | 75% | 0.754 | S | S | * | * | | | trans | -73.3 | 138.6 | -165.5 | 47.2 | 0 | 0 | 0 | 0 | 117.2 | | |
| 114 | N | 26.4 | Very low | 29.7 | Very low | 139 Ų | 139 | 135.5 Ų | 135.5 | 74% | 0.743 | 76% | 0.761 | S | S | * | * | | | trans | 45.7 | 144.7 | 132.9 | -79.5 | -11.8 | 0 | 0 | 0 | 123.9 | | |
| 115 | Y | 24.9 | Very low | 29.2 | Very low | 219 Ų | 219 | 135 Ų | 135 | 86% | 0.859 | 76% | 0.762 | S | S | * | * | | | trans | 80.9 | 158.8 | 157.4 | -74.3 | -65 | 0 | 0 | 0 | 120.2 | | |
| 116 | V | 31.1 | Very low | 29.2 | Very low | 138 Ų | 138 | 135.4 Ų | 135.4 | 84% | 0.836 | 76% | 0.759 | S | S | * | * | | | trans | 83.5 | 82.6 | 174.2 | -165 | 0 | 0 | 0 | 0 | 117 | | |
| 117 | T | 30.7 | Very low | 29.2 | Very low | 123 Ų | 123 | 135.4 Ų | 135.4 | 76% | 0.755 | 76% | 0.762 | S | S | * | * | | | trans | -56.6 | 170.1 | 145.1 | 55.2 | 0 | 0 | 0 | 0 | 111.7 | | |
| 118 | P | 33.6 | Very low | 29.3 | Very low | 102 Ų | 102 | 132.2 Ų | 132.2 | 66% | 0.662 | 76% | 0.76 | S | S | * | * | | | cis | -154.1 | -163.8 | 29.4 | 41.7 | -17.6 | 0 | 0 | 0 | 117.1 | | |
| 119 | T | 29.8 | Very low | 29.6 | Very low | 108 Ų | 108 | 132.1 Ų | 132.1 | 66% | 0.663 | 76% | 0.763 | S | S | * | * | | | trans | 58.7 | 145.9 | 150.1 | 55.3 | 0 | 0 | 0 | 0 | 120.9 | | |
| 120 | D | 29.1 | Very low | 29.8 | Very low | 135 Ų | 135 | 129.8 Ų | 129.8 | 72% | 0.722 | 76% | 0.758 | S | S | * | * | | | cis | -164.2 | 149.3 | -11.4 | -110.8 | -15.7 | 0 | 0 | 0 | 111.4 | | |
| 121 | S | 29 | Very low | 30.1 | Very low | 108 Ų | 108 | 129.9 Ų | 129.9 | 76% | 0.755 | 76% | 0.758 | S | S | * | * | | | trans | 63.3 | 161.5 | 159.7 | 77.9 | 0 | 0 | 0 | 0 | 116.2 | | |
| 122 | I | 33.2 | Very low | 30.2 | Very low | 152 Ų | 152 | 132.6 Ų | 132.6 | 78% | 0.779 | 76% | 0.764 | S | S | * | * | | | cis | -127 | 140.5 | 22.2 | -72.8 | 174.6 | 0 | 0 | 0 | 112 | | |
| 123 | S | 26.4 | Very low | 30.3 | Very low | 100 Ų | 100 | 128.2 Ų | 128.2 | 70% | 0.699 | 76% | 0.759 | S | S | * | * | | | trans | -68.1 | 140.3 | 168.4 | 53.8 | 0 | 0 | 0 | 0 | 112.8 | | |
| 124 | L | 31.9 | Very low | 30.5 | Very low | 153 Ų | 153 | 132.3 Ų | 132.3 | 80% | 0.801 | 76% | 0.762 | S | S | * | * | | | trans | -168.1 | 95 | 134.1 | -107.7 | 161.9 | 0 | 0 | 0 | 112.4 | H126 | L124-H126 HydrophobicContact CD2-CB 4.44Å; L124-H126 PolarHBondContact O-N 3.31Å |
| 125 | S | 24.5 | Very low | 30.7 | Very low | 112 Ų | 112 | 134 Ų | 134 | 78% | 0.783 | 77% | 0.771 | S | S | * | * | | | trans | -84 | 92.5 | 164 | 52.2 | 0 | 0 | 0 | 0 | 109.9 | | |
| 126 | H | 31.4 | Very low | 31.1 | Very low | 156 Ų | 156 | 127.7 Ų | 127.7 | 72% | 0.722 | 75% | 0.751 | S | S | * | * | | | trans | -171.7 | 145 | 168.5 | -106 | 50.9 | 0 | 0 | 0 | 108 | L124 | L124-H126 HydrophobicContact CD2-CB 4.44Å; L124-H126 PolarHBondContact O-N 3.31Å |
| 127 | N | 30.8 | Very low | 31 | Very low | 139 Ų | 139 | 128.5 Ų | 128.5 | 74% | 0.743 | 75% | 0.75 | S | S | * | * | | | cis | -159 | 156.9 | -10.3 | -146 | -6.8 | 0 | 0 | 0 | 111.5 | | |
| 128 | G | 31.8 | Very low | 30.9 | Very low | 60 Ų | 60 | 129.6 Ų | 129.6 | 62% | 0.619 | 75% | 0.752 | S | S | * | * | | | trans | 82.4 | 146.2 | 169.3 | 0 | 0 | 0 | 0 | 0 | 116.7 | | |
| 129 | N | 31.8 | Very low | 30.7 | Very low | 169 Ų | 169 | 132.4 Ų | 132.4 | 90% | 0.904 | 76% | 0.759 | S | S | * | * | | | cis | -162.2 | 126.6 | -14.7 | -122.2 | -7.6 | 0 | 0 | 0 | 107.7 | | |
| 130 | G | 34.3 | Very low | 30.7 | Very low | 70 Ų | 70 | 135.5 Ų | 135.5 | 72% | 0.722 | 77% | 0.766 | S | S | * | * | | | trans | -173.3 | 21.6 | -166.9 | 0 | 0 | 0 | 0 | 0 | 118.7 | | |
| 131 | N | 34.3 | Very low | 30.7 | Very low | 157 Ų | 157 | 135.5 Ų | 135.5 | 84% | 0.84 | 77% | 0.766 | S | S | * | * | | | trans | 50.9 | 74.1 | 163.8 | -62.2 | -7.5 | 0 | 0 | 0 | 118.4 | G133 | N131-G133 PolarHBondContact O-N 3.24Š|
| 132 | N | 29.2 | Very low | 30.9 | Very low | 165 Ų | 165 | 136.1 Ų | 136.1 | 88% | 0.882 | 77% | 0.765 | S | S | * | * | | | trans | -76.5 | 95.4 | 154.5 | -99.4 | -26.7 | 0 | 0 | 0 | 110.5 | | |
| 133 | G | 31.1 | Very low | 30.7 | Very low | 74 Ų | 74 | 135.2 Ų | 135.2 | 76% | 0.763 | 76% | 0.762 | S | S | * | * | | | trans | -85.3 | 95.7 | 164.6 | 0 | 0 | 0 | 0 | 0 | 110 | N131 | N131-G133 PolarHBondContact O-N 3.24Š|
| 134 | R | 35.6 | Very low | 30.8 | Very low | 199 Ų | 199 | 136.2 Ų | 136.2 | 75% | 0.751 | 76% | 0.76 | S | S | * | * | | | | 52.3 | 76.6 | 75.9 | -82.3 | -175.5 | 169.4 | -167.3 | -2.9 | 113.8 | M136 | R134-M136 HydrophobicContact CB-CG 3.49Å; R134-M136 VanDerWaalsContact CB-CG 3.49Å; R134-M136 HydrophobicContact CB-SD 4.4Å; R134-M136 HydrophobicContact CG-CG 3.65Å; R134-M136 HydrophobicContact CG-SD 3.89Å; R134-M136 PolarHBondContact O-N 3.44Å |
| 135 | N | 31.2 | Very low | 30.4 | Very low | 175 Ų | 175 | 138.9 Ų | 138.9 | 94% | 0.936 | 76% | 0.761 | S | S | * | * | | | trans | -79.5 | 104.4 | 147.6 | -166.8 | 4.6 | 0 | 0 | 0 | 106.6 | | |
| 136 | M | 32.7 | Very low | 30.9 | Very low | 87 Ų | 87 | 140.1 Ų | 140.1 | 43% | 0.429 | 76% | 0.763 | S | S | . | * | | | trans | -110.1 | 149.8 | -160.2 | -85.8 | -86.6 | -73.4 | 0 | 0 | 113.8 | R134 N138 | R134-M136 HydrophobicContact CB-CG 3.49Å; R134-M136 VanDerWaalsContact CB-CG 3.49Å; R134-M136 HydrophobicContact CB-SD 4.4Å; R134-M136 HydrophobicContact CG-CG 3.65Å; R134-M136 HydrophobicContact CG-SD 3.89Å; R134-M136 PolarHBondContact O-N 3.44Å; M136-N138 VanDerWaalsContact C-N 3.31Å; M136-N138 PolarHBondContact O-N 2.71Å |
| 137 | N | 29.3 | Very low | 30.8 | Very low | 154 Ų | 154 | 138.6 Ų | 138.6 | 82% | 0.824 | 76% | 0.761 | S | S | * | * | | | trans | -62.5 | 96 | 146.6 | -68.4 | -34.9 | 0 | 0 | 0 | 108.2 | I139 | N137-I139 PolarHBondContact O-N 2.91Š|
| 138 | N | 28.3 | Very low | 30.9 | Very low | 147 Ų | 147 | 138.1 Ų | 138.1 | 79% | 0.786 | 76% | 0.758 | S | S | * | * | | | trans | -76.3 | 89.9 | 172.9 | -79.3 | -8.6 | 0 | 0 | 0 | 110 | M136 | M136-N138 VanDerWaalsContact C-N 3.31Å; M136-N138 PolarHBondContact O-N 2.71Å |
| 139 | I | 29.6 | Very low | 31 | Very low | 160 Ų | 160 | 142.3 Ų | 142.3 | 82% | 0.821 | 76% | 0.761 | S | S | * | * | | | trans | -128.8 | 97.5 | 158 | -57.8 | -179.6 | 0 | 0 | 0 | 107.8 | N137 | N137-I139 PolarHBondContact O-N 2.91Š|
| 140 | E | 29.4 | Very low | 31.1 | Very low | 173 Ų | 173 | 140.9 Ų | 140.9 | 81% | 0.808 | 75% | 0.749 | S | S | * | * | | | trans | -167.3 | 102.3 | 155.1 | -122.5 | 171.6 | -141.1 | 0 | 0 | 109.7 | | |
| 141 | N | 28.2 | Very low | 31.1 | Very low | 136 Ų | 136 | 144.5 Ų | 144.5 | 73% | 0.727 | 75% | 0.747 | S | S | * | * | | | | 166.1 | 165 | 116.3 | -89.8 | -69.1 | 0 | 0 | 0 | 113.2 | | |
| 142 | T | 33.2 | Very low | 31.1 | Very low | 120 Ų | 120 | 143.2 Ų | 143.2 | 74% | 0.736 | 74% | 0.74 | S | S | * | * | | | trans | 65.9 | 78.1 | 170.1 | 49.6 | 0 | 0 | 0 | 0 | 118.2 | | |
| 143 | N | 29 | Very low | 31.2 | Very low | 133 Ų | 133 | 137.6 Ų | 137.6 | 71% | 0.711 | 72% | 0.721 | S | S | * | * | | | | 62.5 | 114 | 112.6 | -64.6 | 37.6 | 0 | 0 | 0 | 121.4 | | |
| 144 | D | 28.4 | Very low | 31.3 | Very low | 121 Ų | 121 | 140.3 Ų | 140.3 | 65% | 0.647 | 72% | 0.718 | S | S | * | * | | | | 78 | 117.7 | 119.1 | -60.7 | -37.7 | 0 | 0 | 0 | 122.8 | | |
| 145 | Y | 25.1 | Very low | 31.3 | Very low | 210 Ų | 210 | 139.4 Ų | 139.4 | 82% | 0.824 | 72% | 0.72 | S | S | * | * | | | trans | 47.2 | 115.7 | 138.2 | -71.4 | -97.2 | 0 | 0 | 0 | 120.3 | | |
| 146 | V | 34.2 | Very low | 31.3 | Very low | 138 Ų | 138 | 139.1 Ų | 139.1 | 84% | 0.836 | 72% | 0.715 | S | S | * | * | | | | -159.6 | 113.9 | 106.9 | 139.6 | 0 | 0 | 0 | 0 | 112 | | |
| 147 | N | 30.3 | Very low | 31.1 | Very low | 124 Ų | 124 | 141.6 Ų | 141.6 | 66% | 0.663 | 73% | 0.73 | S | S | * | * | | | | 23.4 | 150.6 | 129.8 | -104.7 | -11.3 | 0 | 0 | 0 | 123.1 | | |
| 148 | N | 31.3 | Very low | 31 | Very low | 128 Ų | 128 | 140.7 Ų | 140.7 | 68% | 0.684 | 72% | 0.721 | S | S | * | * | | | trans | 78.3 | 132.8 | 144.4 | -71.7 | -20.3 | 0 | 0 | 0 | 118.6 | | |
| 149 | Q | 34.6 | Very low | 31 | Very low | 148 Ų | 148 | 142.6 Ų | 142.6 | 69% | 0.692 | 72% | 0.717 | S | S | * | * | | | cis | -146.6 | 158.1 | 5.9 | -69.9 | -158.5 | -48.3 | 0 | 0 | 114.1 | | |
| 150 | H | 33.7 | Very low | 31.1 | Very low | 140 Ų | 140 | 141.4 Ų | 141.4 | 65% | 0.648 | 71% | 0.708 | S | S | * | * | | | trans | 45 | 146.9 | 141 | -59.7 | -38.2 | 0 | 0 | 0 | 121.7 | | |
| 151 | Q | 33.9 | Very low | 31.2 | Very low | 146 Ų | 146 | 139 Ų | 139 | 68% | 0.682 | 70% | 0.7 | S | S | * | * | | | cis | -172.4 | 167.5 | -8.5 | -114 | 178.5 | -77.6 | 0 | 0 | 106.4 | | |
| 152 | D | 34.5 | Very low | 31.1 | Very low | 130 Ų | 130 | 141.2 Ų | 141.2 | 70% | 0.695 | 71% | 0.709 | S | S | * | * | | | cis | -158.7 | -178.2 | -9.8 | -134.4 | -13 | 0 | 0 | 0 | 106.2 | | |
| 153 | G | 32.5 | Very low | 30.9 | Very low | 47 Ų | 47 | 140.4 Ų | 140.4 | 49% | 0.485 | 71% | 0.714 | S | S | . | * | | | cis | 165.2 | 151.8 | -3.4 | 0 | 0 | 0 | 0 | 0 | 112.4 | | |
| 154 | N | 32.5 | Very low | 30.8 | Very low | 130 Ų | 130 | 141.9 Ų | 141.9 | 70% | 0.695 | 72% | 0.721 | S | S | * | * | | | trans | 69.4 | 147.4 | 170.8 | -57.4 | -77.4 | 0 | 0 | 0 | 117 | | |
| 155 | K | 36.1 | Very low | 31.1 | Very low | 180 Ų | 180 | 141.3 Ų | 141.3 | 78% | 0.783 | 72% | 0.724 | S | S | * | * | | | cis | -155.5 | 173.9 | -6.7 | -124 | 165.7 | -173.7 | 168.7 | 0 | 113.7 | | |
| 156 | M | 30.3 | Very low | 31.4 | Very low | 169 Ų | 169 | 135.7 Ų | 135.7 | 83% | 0.833 | 72% | 0.716 | S | S | * | * | | | trans | -63.7 | 146.2 | -168.6 | -61.6 | 160.8 | 177.4 | 0 | 0 | 118.2 | | |
| 157 | N | 28 | Very low | 31.2 | Very low | 140 Ų | 140 | 136.7 Ų | 136.7 | 75% | 0.749 | 71% | 0.711 | S | S | * | * | | | | 26.6 | 145.8 | 125.2 | -67.5 | 22.1 | 0 | 0 | 0 | 124.3 | | |
| 158 | E | 28.8 | Very low | 31.3 | Very low | 135 Ų | 135 | 136.6 Ų | 136.6 | 63% | 0.631 | 71% | 0.71 | S | S | * | * | | | trans | 97.5 | 126.6 | 132.2 | -88.3 | 176.3 | -107.6 | 0 | 0 | 123.8 | | |
| 159 | R | 27.6 | Very low | 31.2 | Very low | 187 Ų | 187 | 138.6 Ų | 138.6 | 71% | 0.706 | 71% | 0.713 | S | S | * | * | | | trans | 80.7 | 121.6 | 135 | -78.6 | -177.7 | 145 | 106.5 | -0.7 | 123.9 | | |
| 160 | E | 31 | Very low | 31 | Very low | 135 Ų | 135 | 136.7 Ų | 136.7 | 63% | 0.631 | 71% | 0.708 | S | S | * | * | | | | 85.6 | 115.7 | 124.3 | -72 | -179.6 | -148.1 | 0 | 0 | 123.9 | | |
| 161 | N | 31.6 | Very low | 30.6 | Very low | 122 Ų | 122 | 139.7 Ų | 139.7 | 65% | 0.652 | 71% | 0.713 | S | S | * | * | | | | 81.9 | 110.7 | 124.2 | -67.7 | -28.7 | 0 | 0 | 0 | 123.9 | | |
| 162 | M | 26 | Very low | 30.4 | Very low | 182 Ų | 182 | 139.4 Ų | 139.4 | 90% | 0.897 | 72% | 0.722 | S | S | * | * | | | trans | 88 | 156.4 | 133.4 | -70.6 | -158.1 | -68.7 | 0 | 0 | 122.7 | | |
| 163 | A | 29.8 | Very low | 30.1 | Very low | 103 Ų | 103 | 138.8 Ų | 138.8 | 85% | 0.851 | 72% | 0.722 | S | S | * | * | | | trans | 90.1 | 116.5 | 170.5 | 0 | 0 | 0 | 0 | 0 | 119.6 | | |
| 164 | L | 25.8 | Very low | 30 | Very low | 164 Ų | 164 | 145.3 Ų | 145.3 | 86% | 0.859 | 74% | 0.737 | S | S | * | * | | | trans | -80.8 | 173.3 | 162.9 | -78.5 | 167.5 | 0 | 0 | 0 | 109.9 | | |
| 165 | P | 36.5 | Very low | 29.9 | Very low | 109 Ų | 109 | 147.9 Ų | 147.9 | 71% | 0.708 | 74% | 0.742 | S | S | * | * | | | cis | -153.1 | 171.6 | 30.9 | 42.9 | -20.8 | 0 | 0 | 0 | 121.8 | | |
| 166 | S | 29.7 | Very low | 29.4 | Very low | 93 Ų | 93 | 144.5 Ų | 144.5 | 65% | 0.65 | 74% | 0.741 | S | S | * | * | | | trans | 80.1 | 125.6 | 138.9 | 61.6 | 0 | 0 | 0 | 0 | 124.7 | | |
| 167 | H | 31.5 | Very low | 29.3 | Very low | 159 Ų | 159 | 141 Ų | 141 | 74% | 0.736 | 73% | 0.734 | S | S | * | * | | | trans | 74.3 | 106.6 | 145.7 | -73.9 | -56 | 0 | 0 | 0 | 123.9 | | |
| 168 | N | 30.8 | Very low | 29.4 | Very low | 121 Ų | 121 | 142 Ų | 142 | 65% | 0.647 | 73% | 0.734 | S | S | * | * | | | | 57.1 | 150.4 | 112.2 | -62.4 | 6.4 | 0 | 0 | 0 | 121.4 | | |
| 169 | F | 30.3 | Very low | 29.3 | Very low | 170 Ų | 170 | 143 Ų | 143 | 75% | 0.746 | 74% | 0.743 | S | S | * | * | | | cis | -153.2 | 152.9 | 9.5 | -134.4 | -60.7 | 0 | 0 | 0 | 112.3 | | |
| 170 | D | 29.2 | Very low | 29.5 | Very low | 108 Ų | 108 | 141.9 Ų | 141.9 | 58% | 0.578 | 75% | 0.747 | S | S | * | * | | | trans | 69.3 | 110.5 | 148.9 | -104 | 13.1 | 0 | 0 | 0 | 124.8 | | |
| 171 | R | 27.3 | Very low | 29.2 | Very low | 204 Ų | 204 | 142.5 Ų | 142.5 | 77% | 0.77 | 76% | 0.755 | S | S | * | * | | | | 48 | 115.2 | 124.8 | -62.6 | 173 | -159 | -129.9 | -4.4 | 121.2 | | |
| 172 | T | 28.5 | Very low | 29.1 | Very low | 139 Ų | 139 | 144.3 Ų | 144.3 | 85% | 0.853 | 77% | 0.765 | S | S | * | * | | | | 161.1 | 149.1 | 106.9 | 42.3 | 0 | 0 | 0 | 0 | 109.6 | | |
| 173 | V | 28.7 | Very low | 29.3 | Very low | 118 Ų | 118 | 143.5 Ų | 143.5 | 72% | 0.715 | 76% | 0.762 | S | S | * | * | | | cis | -156.6 | 172.2 | 6.8 | 89.7 | 0 | 0 | 0 | 0 | 111.3 | | |
| 174 | K | 30.4 | Very low | 29.3 | Very low | 183 Ų | 183 | 147.4 Ų | 147.4 | 80% | 0.796 | 77% | 0.765 | S | S | * | * | | | trans | 84.6 | 123 | 160.9 | -90.7 | 157.9 | -170.5 | 168.6 | 0 | 120.6 | | |
| 175 | K | 30.4 | Very low | 29.5 | Very low | 185 Ų | 185 | 145.4 Ų | 145.4 | 80% | 0.804 | 76% | 0.76 | S | S | * | * | | | trans | 97.3 | 103.6 | 136.9 | -78.6 | -173.1 | 171.8 | -168.1 | 0 | 120.9 | | |
| 176 | S | 25.8 | Very low | 29 | Very low | 108 Ų | 108 | 147 Ų | 147 | 76% | 0.755 | 76% | 0.762 | S | S | * | * | | | | 74.5 | 136.7 | 128.1 | 55.5 | 0 | 0 | 0 | 0 | 122.1 | | |
| 177 | S | 27.2 | Very low | 28.9 | Very low | 97 Ų | 97 | 148.4 Ų | 148.4 | 68% | 0.678 | 77% | 0.767 | S | S | * | * | | | trans | 88.3 | 134.6 | 161.2 | -91.1 | 0 | 0 | 0 | 0 | 120.6 | | |
| 178 | E | 29.9 | Very low | 28.7 | Very low | 161 Ų | 161 | 146 Ų | 146 | 75% | 0.752 | 76% | 0.764 | S | S | * | * | | | trans | 69.8 | 102.6 | 142.3 | -76.9 | 138.9 | -112.1 | 0 | 0 | 122.9 | | |
| 179 | L | 27.9 | Very low | 28.6 | Very low | 155 Ų | 155 | 151 Ų | 151 | 81% | 0.812 | 77% | 0.774 | S | S | * | * | | | | 91.3 | 150.4 | 109 | -143.2 | 75.7 | 0 | 0 | 0 | 120.1 | | |
| 180 | M | 30.9 | Very low | 28.3 | Very low | 163 Ų | 163 | 147.1 Ų | 147.1 | 80% | 0.803 | 77% | 0.773 | S | S | * | * | | | trans | 71.1 | 81.3 | 166.6 | -56.9 | -53.3 | -121.9 | 0 | 0 | 119.1 | | |
| 181 | D | 24.8 | Very low | 28.3 | Very low | 149 Ų | 149 | 146.8 Ų | 146.8 | 80% | 0.797 | 78% | 0.779 | S | S | * | * | | | | -83.9 | 139.9 | 129.8 | -83.2 | -52.2 | 0 | 0 | 0 | 109.3 | | |
| 182 | N | 29.2 | Very low | 28.4 | Very low | 159 Ų | 159 | 144.2 Ų | 144.2 | 85% | 0.85 | 78% | 0.78 | S | S | * | * | | | trans | 144.8 | 81 | 150.2 | -80.1 | -36.4 | 0 | 0 | 0 | 114.3 | | |
| 183 | I | 31 | Very low | 28.6 | Very low | 165 Ų | 165 | 142.6 Ų | 142.6 | 85% | 0.846 | 77% | 0.77 | S | S | * | * | | | trans | -144 | 108.4 | 142.3 | -53.9 | -179 | 0 | 0 | 0 | 109.1 | | |
| 184 | M | 29.6 | Very low | 28.8 | Very low | 186 Ų | 186 | 144.5 Ų | 144.5 | 92% | 0.916 | 77% | 0.771 | S | S | * | * | | | | -175.3 | 126.8 | 117 | -98.9 | -165.1 | -170.5 | 0 | 0 | 111.7 | | |
| 185 | T | 30.5 | Very low | 28.7 | Very low | 121 Ų | 121 | 142.3 Ų | 142.3 | 74% | 0.742 | 77% | 0.769 | S | S | * | * | | | trans | -91.8 | 137.1 | 168.5 | 46 | 0 | 0 | 0 | 0 | 111.5 | | |
| 186 | N | 25.5 | Very low | 28.8 | Very low | 142 Ų | 142 | 139.6 Ų | 139.6 | 76% | 0.759 | 76% | 0.763 | S | S | * | * | | | trans | 74.6 | 151.6 | 142.2 | -62.8 | -15.6 | 0 | 0 | 0 | 122 | | |
| 187 | T | 28.5 | Very low | 29.1 | Very low | 123 Ų | 123 | 142.1 Ų | 142.1 | 76% | 0.755 | 76% | 0.763 | S | S | * | * | | | trans | 75.5 | 107.6 | 146.6 | 35.2 | 0 | 0 | 0 | 0 | 121.3 | | |
| 188 | V | 26.3 | Very low | 29.3 | Very low | 110 Ų | 110 | 145 Ų | 145 | 67% | 0.667 | 77% | 0.77 | S | S | * | * | | | | 48 | 113.4 | 115.3 | 179.8 | 0 | 0 | 0 | 0 | 115.7 | | |
| 189 | R | 28.1 | Very low | 29.1 | Very low | 226 Ų | 226 | 146.9 Ų | 146.9 | 85% | 0.853 | 77% | 0.771 | S | S | * | * | | | | -166.7 | 155.2 | 79.5 | -165.5 | 162.9 | -79.5 | 105.1 | -3.1 | 112.1 | | |
| 190 | A | 25.1 | Very low | 29.1 | Very low | 88 Ų | 88 | 146.1 Ų | 146.1 | 73% | 0.727 | 76% | 0.763 | S | S | * | * | | | trans | -78.5 | 152.3 | 173.1 | 0 | 0 | 0 | 0 | 0 | 112.7 | | |
| 191 | S | 29.6 | Very low | 29.2 | Very low | 100 Ų | 100 | 145.2 Ų | 145.2 | 70% | 0.699 | 76% | 0.757 | S | S | * | * | | | trans | -180 | 116.8 | 140.2 | -79.6 | 0 | 0 | 0 | 0 | 112.3 | | |
| 192 | N | 28.1 | Very low | 29.4 | Very low | 150 Ų | 150 | 144.3 Ų | 144.3 | 80% | 0.802 | 75% | 0.752 | S | S | * | * | | | trans | 65.2 | 162.6 | 144.7 | -51.3 | -14.8 | 0 | 0 | 0 | 118 | | |
| 193 | T | 33.1 | Very low | 29.6 | Very low | 106 Ų | 106 | 142.2 Ų | 142.2 | 65% | 0.65 | 74% | 0.741 | S | S | * | * | | | cis | -147 | 154.7 | 7.4 | -20.5 | 0 | 0 | 0 | 0 | 110.8 | | |
| 194 | E | 32.9 | Very low | 29.6 | Very low | 157 Ų | 157 | 141.1 Ų | 141.1 | 73% | 0.734 | 73% | 0.732 | S | S | * | * | | | trans | 47 | 120 | 148.5 | -74.4 | 151.3 | -161.9 | 0 | 0 | 121.3 | | |
| 195 | N | 28.2 | Very low | 29.7 | Very low | 138 Ų | 138 | 139.8 Ų | 139.8 | 74% | 0.738 | 72% | 0.724 | S | S | * | * | | | cis | 95.2 | 150.2 | 49.1 | -79 | -28.2 | 0 | 0 | 0 | 114.7 | | |
| 196 | N | 31.8 | Very low | 29.8 | Very low | 128 Ų | 128 | 140.6 Ų | 140.6 | 68% | 0.684 | 72% | 0.723 | S | S | * | * | | | trans | 77.2 | 143.3 | 160.1 | -62.3 | -35.6 | 0 | 0 | 0 | 117.6 | | |
| 197 | Q | 32.6 | Very low | 30.2 | Very low | 160 Ų | 160 | 141 Ų | 141 | 75% | 0.748 | 72% | 0.724 | S | S | * | * | | | cis | -160 | -179.5 | 0.2 | -124.2 | 157.7 | 24.2 | 0 | 0 | 112.6 | | |
| 198 | L | 30.9 | Very low | 30.2 | Very low | 159 Ų | 159 | 141.7 Ų | 141.7 | 83% | 0.832 | 72% | 0.723 | S | S | * | * | | | trans | 73.8 | 101.6 | 176.5 | -58.2 | 166.3 | 0 | 0 | 0 | 113.3 | | |
| 199 | Y | 25.9 | Very low | 30.3 | Very low | 200 Ų | 200 | 142.3 Ų | 142.3 | 78% | 0.784 | 73% | 0.727 | S | S | * | * | | | cis | 61.7 | 132.4 | 35.1 | -96.7 | -114.1 | 0 | 0 | 0 | 111.6 | | |
| 200 | E | 28.7 | Very low | 30.5 | Very low | 138 Ų | 138 | 140.7 Ų | 140.7 | 65% | 0.645 | 73% | 0.726 | S | S | * | * | | | cis | -169.6 | 170.5 | 13.1 | -172.3 | -170.6 | -118.9 | 0 | 0 | 111.2 | | |
| 201 | Q | 33 | Very low | 30.7 | Very low | 145 Ų | 145 | 143.5 Ų | 143.5 | 68% | 0.678 | 73% | 0.728 | S | S | * | * | | | trans | 133 | 120.3 | 133.5 | -71.9 | -171.7 | 2.6 | 0 | 0 | 120.8 | | |
| 202 | L | 29 | Very low | 30.7 | Very low | 129 Ų | 129 | 146.2 Ų | 146.2 | 68% | 0.675 | 73% | 0.732 | S | S | * | * | | | trans | 61.4 | 129.3 | 138 | -54.8 | 169.8 | 0 | 0 | 0 | 118.3 | | |
| 203 | N | 32.3 | Very low | 30.6 | Very low | 116 Ų | 116 | 145.7 Ų | 145.7 | 62% | 0.62 | 73% | 0.73 | S | S | * | * | | | cis | -154.6 | 145.6 | 24.1 | -106.9 | -5.8 | 0 | 0 | 0 | 110.8 | | |
| 204 | Q | 32.6 | Very low | 30.4 | Very low | 142 Ų | 142 | 146.8 Ų | 146.8 | 66% | 0.664 | 73% | 0.731 | S | S | * | * | | | | 61.6 | 137.4 | 80.6 | -63.3 | 179.9 | 4.3 | 0 | 0 | 114.8 | | |
| 205 | Q | 31.9 | Very low | 30.3 | Very low | 158 Ų | 158 | 145.5 Ų | 145.5 | 74% | 0.738 | 73% | 0.729 | S | S | * | * | | | cis | -169 | -172.5 | -11.2 | -126.5 | 171.8 | -13.7 | 0 | 0 | 109.9 | | |
| 206 | N | 32.5 | Very low | 30.5 | Very low | 138 Ų | 138 | 146.4 Ų | 146.4 | 74% | 0.738 | 73% | 0.734 | S | S | * | * | | | trans | 86.1 | 140.4 | 172.4 | -58 | -31.6 | 0 | 0 | 0 | 117 | | |
| 207 | I | 33.4 | Very low | 30.2 | Very low | 151 Ų | 151 | 145.9 Ų | 145.9 | 77% | 0.774 | 74% | 0.739 | S | S | * | * | | | cis | -150.3 | 161.5 | -0.7 | -119.1 | 161.1 | 0 | 0 | 0 | 112 | | |
| 208 | D | 27.4 | Very low | 30.1 | Very low | 136 Ų | 136 | 145.1 Ų | 145.1 | 73% | 0.727 | 74% | 0.739 | S | S | * | * | | | trans | -130.3 | 160.1 | -162.2 | -61.5 | -96.6 | 0 | 0 | 0 | 113.2 | | |
| 209 | T | 28.7 | Very low | 29.8 | Very low | 123 Ų | 123 | 142.3 Ų | 142.3 | 76% | 0.755 | 73% | 0.732 | S | S | * | * | | | cis | -161.8 | 159.2 | -22.4 | 27.4 | 0 | 0 | 0 | 0 | 108.5 | | |
| 210 | K | 33.1 | Very low | 30 | Very low | 193 Ų | 193 | 140.1 Ų | 140.1 | 84% | 0.839 | 73% | 0.734 | S | S | * | * | | | trans | -165.8 | 103.7 | 160.8 | -109.9 | 159.8 | -174.4 | -179.6 | 0 | 110.2 | | |
| 211 | I | 28.9 | Very low | 29.9 | Very low | 147 Ų | 147 | 141.7 Ų | 141.7 | 75% | 0.754 | 74% | 0.741 | S | S | * | * | | | | 102 | 135.2 | 79 | -87.8 | 178.1 | 0 | 0 | 0 | 111.5 | | |
| 212 | I | 29.8 | Very low | 30.1 | Very low | 156 Ų | 156 | 139.5 Ų | 139.5 | 80% | 0.8 | 74% | 0.739 | S | S | * | * | | | trans | 81.5 | 84.4 | 176.8 | -64.2 | 157.6 | 0 | 0 | 0 | 117.8 | | |
| 213 | N | 26.7 | Very low | 30 | Very low | 140 Ų | 140 | 140.3 Ų | 140.3 | 75% | 0.749 | 74% | 0.744 | S | S | * | * | | | | 75.1 | 133.5 | 112.4 | -129.6 | 15.4 | 0 | 0 | 0 | 124.3 | | |
| 214 | L | 28.9 | Very low | 29.8 | Very low | 128 Ų | 128 | 141.6 Ų | 141.6 | 67% | 0.67 | 75% | 0.748 | S | S | * | * | | | trans | 71.1 | 113.5 | 154 | -68.7 | 158.6 | 0 | 0 | 0 | 121.9 | | |
| 215 | N | 30.2 | Very low | 29.4 | Very low | 130 Ų | 130 | 144.8 Ų | 144.8 | 70% | 0.695 | 76% | 0.756 | S | S | * | * | | | trans | 65 | 91.1 | 137.6 | -57.6 | -3 | 0 | 0 | 0 | 120.8 | | |
| 216 | N | 31.8 | Very low | 29.2 | Very low | 157 Ų | 157 | 142.6 Ų | 142.6 | 84% | 0.84 | 75% | 0.753 | S | S | * | * | | | | -178.9 | 135.4 | 91.1 | -93.2 | -18.6 | 0 | 0 | 0 | 114.4 | | |
| 217 | C | 26.4 | Very low | 28.9 | Very low | 118 Ų | 118 | 143.8 Ų | 143.8 | 80% | 0.797 | 75% | 0.754 | S | S | * | * | | | trans | -149.8 | 150.9 | 171.4 | -84.4 | 0 | 0 | 0 | 0 | 106.6 | | |
| 218 | L | 29.2 | Very low | 28.6 | Very low | 143 Ų | 143 | 145.6 Ų | 145.6 | 75% | 0.749 | 76% | 0.757 | S | S | * | * | | | cis | -164.4 | 142 | 2.7 | -114.9 | 163.5 | 0 | 0 | 0 | 107.7 | | |
| 219 | C | 25.9 | Very low | 28.6 | Very low | 101 Ų | 101 | 146.9 Ų | 146.9 | 68% | 0.682 | 76% | 0.762 | S | S | * | * | | | trans | 55.1 | 154.7 | 148.8 | -76.3 | 0 | 0 | 0 | 0 | 121.1 | | |
| 220 | N | 30.1 | Very low | 28.5 | Very low | 154 Ų | 154 | 148 Ų | 148 | 82% | 0.824 | 76% | 0.763 | S | S | * | * | | | cis | -149.5 | 168.3 | 14.7 | -105.7 | -27.8 | 0 | 0 | 0 | 112.3 | | |
| 221 | Q | 26.2 | Very low | 28.2 | Very low | 170 Ų | 170 | 143.3 Ų | 143.3 | 79% | 0.794 | 76% | 0.755 | S | S | * | * | | | trans | -92.2 | -169.5 | 166.7 | -69.8 | -83.3 | -22.4 | 0 | 0 | 110.2 | | |
| 222 | P | 37.6 | Very low | 28 | Very low | 99 Ų | 99 | 143.3 Ų | 143.3 | 64% | 0.643 | 76% | 0.756 | S | S | * | * | | | cis | -137.7 | 179.1 | -6.7 | 23.7 | 2.5 | 0 | 0 | 0 | 116.6 | | |
| 223 | D | 27.4 | Very low | 28.1 | Very low | 146 Ų | 146 | 147.1 Ų | 147.1 | 78% | 0.781 | 76% | 0.762 | S | S | * | * | | | trans | 54.1 | 163.1 | 143.2 | -62.8 | -14.8 | 0 | 0 | 0 | 124.8 | | |
| 224 | M | 26.1 | Very low | 28.2 | Very low | 143 Ų | 143 | 144.3 Ų | 144.3 | 70% | 0.704 | 75% | 0.753 | S | S | * | * | | | cis | -171.2 | 123 | -45.3 | -156.1 | -170.6 | 49.3 | 0 | 0 | 112.6 | | |
| 225 | Y | 25.3 | Very low | 28.1 | Very low | 209 Ų | 209 | 146.3 Ų | 146.3 | 82% | 0.82 | 76% | 0.759 | S | S | * | * | | | trans | 62.5 | 165.7 | 166.5 | -75.7 | -62.5 | 0 | 0 | 0 | 118.4 | | |
| 226 | V | 27 | Very low | 28.1 | Very low | 112 Ų | 112 | 146 Ų | 146 | 68% | 0.679 | 76% | 0.762 | S | S | * | * | | | cis | -156.5 | 157.6 | 9.2 | 96.3 | 0 | 0 | 0 | 0 | 114.6 | | |
| 227 | E | 26.1 | Very low | 28 | Very low | 164 Ų | 164 | 143.1 Ų | 143.1 | 77% | 0.766 | 75% | 0.754 | S | S | * | * | | | trans | 48.4 | 117.7 | 156.9 | -71.8 | 171.5 | 140.9 | 0 | 0 | 128.1 | | |
| 228 | K | 27.8 | Very low | 28.1 | Very low | 189 Ų | 189 | 142 Ų | 142 | 82% | 0.822 | 75% | 0.748 | S | S | * | * | | | | 25.6 | 139.3 | 123.8 | -65.5 | -179.9 | 175.1 | 177.8 | 0 | 123.4 | | |
| 229 | I | 28 | Very low | 28.1 | Very low | 163 Ų | 163 | 140.2 Ų | 140.2 | 84% | 0.836 | 75% | 0.747 | S | S | * | * | | | | -168.8 | 162.2 | 106.8 | -98.1 | 162.9 | 0 | 0 | 0 | 112.4 | | |
| 230 | N | 26.7 | Very low | 28.3 | Very low | 147 Ų | 147 | 142.3 Ų | 142.3 | 79% | 0.786 | 75% | 0.751 | S | S | * | * | | | trans | -61.8 | 176.2 | -173.2 | -43.8 | -20.1 | 0 | 0 | 0 | 114.7 | | |
| 231 | S | 25.5 | Very low | 28.1 | Very low | 94 Ų | 94 | 139.5 Ų | 139.5 | 66% | 0.657 | 74% | 0.742 | S | S | * | * | | | cis | -165.5 | 159.3 | 23.4 | 56.9 | 0 | 0 | 0 | 0 | 115.3 | | |
| 232 | N | 25.4 | Very low | 28 | Very low | 147 Ų | 147 | 137.5 Ų | 137.5 | 79% | 0.786 | 74% | 0.737 | S | S | * | * | | | trans | 61.6 | 112.9 | 154.1 | -59.7 | -0.6 | 0 | 0 | 0 | 120.3 | | |
| 233 | Y | 31.8 | Very low | 27.7 | Very low | 236 Ų | 236 | 140.9 Ų | 140.9 | 93% | 0.925 | 74% | 0.742 | S | S | * | * | | | | -158.1 | -175.8 | 119.5 | -119.6 | -81.1 | 0 | 0 | 0 | 110.2 | | |
| 234 | S | 29.5 | Very low | 27.8 | Very low | 80 Ų | 80 | 142 Ų | 142 | 56% | 0.559 | 74% | 0.742 | S | S | * | * | | | trans | -107.4 | 146 | -151.8 | 53.6 | 0 | 0 | 0 | 0 | 117.1 | | |
| 235 | E | 27 | Very low | 27.7 | Very low | 171 Ų | 171 | 140.9 Ų | 140.9 | 80% | 0.799 | 75% | 0.747 | S | S | * | * | | | trans | 71.4 | 154.3 | 136.3 | -73.5 | 175.9 | 169.9 | 0 | 0 | 123.5 | | |
| 236 | T | 30 | Very low | 27.8 | Very low | 122 Ų | 122 | 137 Ų | 137 | 75% | 0.748 | 75% | 0.746 | S | S | * | * | | | trans | 71.4 | 94.6 | 154.7 | 42.3 | 0 | 0 | 0 | 0 | 121.6 | | |
| 237 | S | 29.2 | Very low | 28 | Very low | 98 Ų | 98 | 140.6 Ų | 140.6 | 69% | 0.685 | 76% | 0.755 | S | S | * | * | | | | 69 | 114.8 | 115.7 | 69.1 | 0 | 0 | 0 | 0 | 122.5 | | |
| 238 | S | 28.5 | Very low | 28 | Very low | 95 Ų | 95 | 140.9 Ų | 140.9 | 66% | 0.664 | 76% | 0.758 | S | S | * | * | | | | 66.2 | 115 | 126.8 | 66.9 | 0 | 0 | 0 | 0 | 122.3 | | |
| 239 | S | 29 | Very low | 28.2 | Very low | 104 Ų | 104 | 137.4 Ų | 137.4 | 73% | 0.727 | 76% | 0.755 | S | S | * | * | | | | 76.8 | 159.2 | 124.1 | 81.5 | 0 | 0 | 0 | 0 | 118.7 | | |
| 240 | L | 29.5 | Very low | 28.2 | Very low | 146 Ų | 146 | 137.2 Ų | 137.2 | 76% | 0.764 | 75% | 0.75 | S | S | * | * | | | cis | -157.4 | 149 | 2.5 | -158.7 | 83.2 | 0 | 0 | 0 | 109.7 | | |
| 241 | C | 25.8 | Very low | 28.3 | Very low | 94 Ų | 94 | 136.5 Ų | 136.5 | 64% | 0.635 | 75% | 0.745 | S | S | * | * | | | trans | 56.4 | 167.1 | 156.8 | -71.2 | 0 | 0 | 0 | 0 | 118.5 | | |
| 242 | D | 24.9 | Very low | 28.6 | Very low | 128 Ų | 128 | 137.6 Ų | 137.6 | 68% | 0.684 | 75% | 0.753 | S | S | * | * | | | cis | -160.6 | 166.7 | -29.5 | -100.6 | -19.5 | 0 | 0 | 0 | 107.4 | | |
| 243 | F | 30.9 | Very low | 28.7 | Very low | 170 Ų | 170 | 137 Ų | 137 | 75% | 0.746 | 75% | 0.75 | S | S | * | * | | | | 172.9 | 113 | 114.5 | -110 | -101.4 | 0 | 0 | 0 | 114.6 | | |
| 244 | Q | 30.2 | Very low | 28.6 | Very low | 170 Ų | 170 | 134.6 Ų | 134.6 | 79% | 0.794 | 75% | 0.747 | S | S | * | * | | | trans | 65.2 | 153.7 | 144.6 | -70.9 | -178.6 | -20.4 | 0 | 0 | 122.1 | | |
| 245 | C | 23.1 | Very low | 28.6 | Very low | 120 Ų | 120 | 138.3 Ų | 138.3 | 81% | 0.811 | 76% | 0.76 | S | S | * | * | | | trans | -119.7 | 164.2 | -169.1 | -45.6 | 0 | 0 | 0 | 0 | 111 | | |
| 246 | T | 27.8 | Very low | 28.8 | Very low | 127 Ų | 127 | 136.3 Ų | 136.3 | 78% | 0.779 | 75% | 0.754 | S | S | * | * | | | trans | -160.2 | 136.3 | 143.3 | 2.8 | 0 | 0 | 0 | 0 | 112.4 | | |
| 247 | E | 30.4 | Very low | 28.8 | Very low | 187 Ų | 187 | 137.2 Ų | 137.2 | 87% | 0.874 | 75% | 0.749 | S | S | * | * | | | trans | 60 | 126 | 149.7 | -68.7 | 166.3 | -172.3 | 0 | 0 | 122.1 | | |
| 248 | M | 26.7 | Very low | 28.9 | Very low | 171 Ų | 171 | 140.8 Ų | 140.8 | 84% | 0.842 | 75% | 0.753 | S | S | * | * | | | trans | -100.9 | 169 | 159.5 | -60.5 | -158 | 72.8 | 0 | 0 | 110 | | |
| 249 | P | 32.4 | Very low | 29.2 | Very low | 115 Ų | 115 | 140.2 Ų | 140.2 | 75% | 0.747 | 75% | 0.745 | S | S | * | * | | | | -150.7 | 139.9 | 88.3 | 36.8 | -17.5 | 0 | 0 | 0 | 118.1 | | |
| 250 | E | 28.5 | Very low | 29.2 | Very low | 159 Ų | 159 | 141 Ų | 141 | 74% | 0.743 | 74% | 0.738 | S | S | * | * | | | | 69.2 | 144.9 | 129.4 | -66.9 | -162.9 | 145.1 | 0 | 0 | 126.7 | | |
| 251 | I | 28.8 | Very low | 29.4 | Very low | 132 Ų | 132 | 140.3 Ų | 140.3 | 68% | 0.677 | 73% | 0.728 | S | S | * | * | | | trans | 68.1 | 101.2 | 154.9 | -60.5 | 149.3 | 0 | 0 | 0 | 118.7 | | |
| 252 | S | 30.6 | Very low | 30.1 | Very low | 118 Ų | 118 | 140.7 Ų | 140.7 | 83% | 0.825 | 72% | 0.723 | S | S | * | * | | | | -154.5 | 134.4 | 95.4 | -169.5 | 0 | 0 | 0 | 0 | 112.3 | | |
| 253 | N | 27.5 | Very low | 30.4 | Very low | 135 Ų | 135 | 143.5 Ų | 143.5 | 72% | 0.722 | 73% | 0.726 | S | S | * | * | | | trans | -90 | 123.7 | -167.3 | -57.5 | -39.7 | 0 | 0 | 0 | 111.9 | | |
| 254 | H | 30.4 | Very low | 30.5 | Very low | 184 Ų | 184 | 141.8 Ų | 141.8 | 85% | 0.852 | 72% | 0.72 | S | S | * | * | S | Bend | trans | -162.9 | -4.6 | 147.9 | -131.5 | -62.6 | 0 | 0 | 0 | 117 | | |
| 255 | L | 30.3 | Very low | 30.7 | Very low | 159 Ų | 159 | 140.3 Ų | 140.3 | 83% | 0.832 | 71% | 0.712 | S | S | * | * | S | Bend | trans | -115.6 | 5.5 | -174.1 | -102.2 | 165.2 | 0 | 0 | 0 | 115.2 | | |
| 256 | L | 29.5 | Very low | 31.4 | Very low | 129 Ų | 129 | 141.3 Ų | 141.3 | 68% | 0.675 | 71% | 0.705 | S | S | * | * | S | Bend | trans | -112.6 | 36.9 | -178.6 | -155.3 | 76.2 | 0 | 0 | 0 | 113.1 | | |
| 257 | E | 30 | Very low | 31.8 | Very low | 140 Ų | 140 | 139.7 Ų | 139.7 | 65% | 0.654 | 69% | 0.689 | S | S | * | * | S | Bend | trans | -126 | 1.3 | 175 | -139.1 | -156 | 136.5 | 0 | 0 | 114.2 | K261 | E257-K261 IonicContact OE1-NZ 3.14Å; E257-K261 PolarHBondContact OE1-NZ 2.81Å; E257-K261 VanDerWaalsContact OE1-NZ 3.14Å |
| 258 | F | 33.1 | Very low | 31.9 | Very low | 174 Ų | 174 | 135.8 Ų | 135.8 | 76% | 0.763 | 67% | 0.674 | S | S | * | * | S | Bend | trans | -115.1 | -19.4 | -178 | -137 | -89 | 0 | 0 | 0 | 113.6 | | |
| 259 | T | 33.3 | Very low | 32.5 | Very low | 82 Ų | 82 | 133.6 Ų | 133.6 | 50% | 0.503 | 66% | 0.661 | S | S | . | * | S | Bend | trans | -87.5 | -40.8 | -177.7 | 36.6 | 0 | 0 | 0 | 0 | 113.2 | K261 I262 Y263 | T259-K261 PolarHBondContact O-N 3.48Å; T259-I262 PolarHBondContact O-N 2.78Å; T259-Y263 PolarHBondContact O-N 3.48Å |
| 260 | E | 30.1 | Very low | 32.5 | Very low | 122 Ų | 122 | 135.7 Ų | 135.7 | 57% | 0.57 | 66% | 0.659 | S | S | * | * | H | α-helix | trans | -68.8 | -33.6 | -177.2 | -62.1 | -168.8 | 141.8 | 0 | 0 | 113.2 | I262 Y263 H264 | E260-I262 VanDerWaalsContact C-N 3.26Å; E260-I262 PolarHBondContact O-N 2.66Å; E260-Y263 PolarHBondContact O-N 3.38Å; E260-H264 PolarHBondContact O-N 2.72Å |
| 261 | K | 33.2 | Very low | 32.7 | Very low | 130 Ų | 130 | 132.1 Ų | 132.1 | 57% | 0.565 | 65% | 0.645 | S | S | * | * | H | α-helix | trans | -62.2 | -31 | 175.5 | -76.4 | 169.5 | -176.1 | 144.9 | 0 | 112.6 | E257 T259 Q265 | E257-K261 IonicContact OE1-NZ 3.14Å; E257-K261 PolarHBondContact OE1-NZ 2.81Å; E257-K261 VanDerWaalsContact OE1-NZ 3.14Å; T259-K261 PolarHBondContact O-N 3.48Å; K261-Q265 VanDerWaalsContact O-CB 3.27Å; K261-Q265 WeakPolarHBondContact O-CB 3.44Å |
| 262 | I | 40.5 | Very low | 33 | Very low | 103 Ų | 103 | 130.9 Ų | 130.9 | 53% | 0.528 | 64% | 0.64 | S | S | . | * | H | α-helix | trans | -77.9 | -38.9 | 178.1 | -62.4 | 176.8 | 0 | 0 | 0 | 111 | T259 E260 H266 | T259-I262 PolarHBondContact O-N 2.78Å; E260-I262 VanDerWaalsContact C-N 3.26Å; E260-I262 PolarHBondContact O-N 2.66Å; I262-H266 PolarHBondContact O-N 3.45Å |
| 263 | Y | 31.9 | Very low | 33.1 | Very low | 187 Ų | 187 | 132.9 Ų | 132.9 | 73% | 0.733 | 63% | 0.633 | S | S | * | * | H | α-helix | trans | -69.2 | -45.4 | -176.4 | -144.8 | -99.5 | 0 | 0 | 0 | 112.3 | T259 E260 Q265 H267 | T259-Y263 PolarHBondContact O-N 3.48Å; E260-Y263 PolarHBondContact O-N 3.38Å; Y263-Q265 PolarHBondContact O-N 3.27Å; Y263-H267 PolarHBondContact O-N 3.32Å |
| 264 | H | 31.5 | Very low | 33.5 | Very low | 134 Ų | 134 | 130 Ų | 130 | 62% | 0.62 | 62% | 0.621 | S | S | * | * | H | α-helix | trans | -71.1 | -28.1 | 178.1 | -92.3 | -69.4 | 0 | 0 | 0 | 114.2 | E260 | E260-H264 PolarHBondContact O-N 2.72Å |
| 265 | Q | 36.3 | Very low | 33.5 | Very low | 138 Ų | 138 | 127 Ų | 127 | 65% | 0.645 | 61% | 0.611 | S | S | * | * | H | α-helix | trans | -76.7 | -27.5 | -177.5 | -163.5 | 166.3 | 23.6 | 0 | 0 | 113 | K261 Y263 | K261-Q265 VanDerWaalsContact O-CB 3.27Å; K261-Q265 WeakPolarHBondContact O-CB 3.44Å; Y263-Q265 PolarHBondContact O-N 3.27Å |
| 266 | H | 36.4 | Very low | 33.6 | Very low | 141 Ų | 141 | 127.9 Ų | 127.9 | 65% | 0.653 | 60% | 0.604 | S | S | * | * | H | α-helix | trans | -84.8 | -33 | 176.1 | -100.6 | -85.1 | 0 | 0 | 0 | 114.2 | I262 | I262-H266 PolarHBondContact O-N 3.45Å |
| 267 | H | 36.4 | Very low | 33.6 | Very low | 94 Ų | 94 | 132 Ų | 132 | 44% | 0.435 | 61% | 0.612 | S | S | . | * | H | α-helix | trans | -72.4 | -32.3 | -174.6 | -149.8 | -46.6 | 0 | 0 | 0 | 113.3 | Y263 | Y263-H267 PolarHBondContact O-N 3.32Å |
| 268 | N | 33.3 | Very low | 33.5 | Very low | 105 Ų | 105 | 130.2 Ų | 130.2 | 56% | 0.561 | 61% | 0.614 | S | S | * | * | H | α-helix | trans | -75.3 | -29.7 | -179.1 | -73.4 | -10 | 0 | 0 | 0 | 113.3 | F270 | N268-F270 PolarHBondContact O-N 3.28Å |
| 269 | Q | 37.7 | Very low | 33.2 | Very low | 125 Ų | 125 | 129.1 Ų | 129.1 | 58% | 0.584 | 62% | 0.615 | S | S | * | * | H | α-helix | trans | -68.2 | -15.2 | 176.4 | -77.2 | -162.6 | -7.1 | 0 | 0 | 114.2 | | |
| 270 | F | 33.8 | Very low | 33 | Very low | 159 Ų | 159 | 133 Ų | 133 | 70% | 0.697 | 63% | 0.633 | S | S | * | * | H | α-helix | trans | -84.8 | -44.6 | -179.1 | -135.1 | -91.4 | 0 | 0 | 0 | 112.2 | N268 K273 T274 | N268-F270 PolarHBondContact O-N 3.28Å; F270-K273 PolarHBondContact O-N 3.2Å; F270-T274 PolarHBondContact O-OG1 3.19Å |
| 271 | N | 32.6 | Very low | 33.1 | Very low | 84 Ų | 84 | 136.4 Ų | 136.4 | 45% | 0.449 | 65% | 0.649 | S | S | . | * | H | α-helix | trans | -70.2 | -32.6 | 179.6 | -77.4 | -9.1 | 0 | 0 | 0 | 113.3 | K273 T274 N275 | N271-K273 PolarHBondContact O-N 3.16Å; N271-T274 PolarHBondContact O-N 3.39Å; N271-T274 PolarHBondContact O-OG1 2.83Å; N271-N275 PolarHBondContact O-N 3.32Å; N271-N275 VanDerWaalsContact O-N 3.07Å |
| 272 | D | 33.9 | Very low | 33 | Very low | 105 Ų | 105 | 137.6 Ų | 137.6 | 56% | 0.561 | 66% | 0.662 | S | S | * | * | H | α-helix | trans | -67.6 | -13.3 | 178 | -102.7 | -1.7 | 0 | 0 | 0 | 114.3 | R276 | D272-R276 PolarHBondContact O-NE 3.07Å |
| 273 | K | 34.1 | Very low | 32.5 | Very low | 160 Ų | 160 | 140.8 Ų | 140.8 | 70% | 0.696 | 68% | 0.678 | S | S | * | * | H | α-helix | trans | -100.3 | -26.2 | 176.5 | -75.6 | -179.6 | 175.9 | 173.5 | 0 | 113.7 | F270 N271 | F270-K273 PolarHBondContact O-N 3.2Å; N271-K273 PolarHBondContact O-N 3.16Å |
| 274 | T | 35.1 | Very low | 32.3 | Very low | 75 Ų | 75 | 139.4 Ų | 139.4 | 46% | 0.46 | 68% | 0.678 | S | S | . | * | H | α-helix | trans | -80.6 | -41.1 | 172.8 | 42.2 | 0 | 0 | 0 | 0 | 112.1 | F270 N271 R276 Y277 | F270-T274 PolarHBondContact O-OG1 3.19Å; N271-T274 PolarHBondContact O-N 3.39Å; N271-T274 PolarHBondContact O-OG1 2.83Å; T274-R276 PolarHBondContact O-N 3.37Å; T274-R276 VanDerWaalsContact O-N 3.12Å; T274-Y277 PolarHBondContact O-N 2.68Å; T274-Y277 VanDerWaalsContact O-N 3.17Å |
| 275 | N | 30.6 | Very low | 32.1 | Very low | 121 Ų | 121 | 140 Ų | 140 | 65% | 0.647 | 68% | 0.681 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -72.8 | -2.8 | -176.1 | -80 | -17 | 0 | 0 | 0 | 115.7 | N271 | N271-N275 PolarHBondContact O-N 3.32Å; N271-N275 VanDerWaalsContact O-N 3.07Å |
| 276 | R | 32.6 | Very low | 31.5 | Very low | 178 Ų | 178 | 139.9 Ų | 139.9 | 67% | 0.672 | 69% | 0.685 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -89.6 | -7.6 | 170.8 | -62.1 | -171.8 | -163 | -165.8 | 2 | 114.3 | D272 T274 | D272-R276 PolarHBondContact O-NE 3.07Å; T274-R276 PolarHBondContact O-N 3.37Å; T274-R276 VanDerWaalsContact O-N 3.12Å |
| 277 | Y | 29.9 | Very low | 31 | Very low | 215 Ų | 215 | 144.8 Ų | 144.8 | 84% | 0.843 | 70% | 0.698 | S | S | * | * | S | Bend | trans | -105.1 | -1.7 | 178.5 | -97 | -83.4 | 0 | 0 | 0 | 114.5 | T274 | T274-Y277 PolarHBondContact O-N 2.68Å; T274-Y277 VanDerWaalsContact O-N 3.17Å |
| 278 | C | 27.7 | Very low | 30.5 | Very low | 103 Ų | 103 | 144 Ų | 144 | 70% | 0.696 | 70% | 0.703 | S | S | * | * | S | Bend | trans | -117.7 | 43.4 | -176.5 | -65.4 | 0 | 0 | 0 | 0 | 113.2 | | |
| 279 | N | 27.4 | Very low | 30.3 | Very low | 150 Ų | 150 | 145.9 Ų | 145.9 | 80% | 0.802 | 71% | 0.711 | S | S | * | * | S | Bend | trans | -150.5 | 66.9 | 168.5 | -122.9 | -11.9 | 0 | 0 | 0 | 113.2 | | |
| 280 | N | 28.8 | Very low | 29.7 | Very low | 164 Ų | 164 | 147.7 Ų | 147.7 | 88% | 0.877 | 72% | 0.724 | S | S | * | * | | | trans | -163.2 | 87.6 | 158.8 | -105.1 | -28.2 | 0 | 0 | 0 | 109.6 | N282 | N280-N282 PolarHBondContact O-N 3.14Å; N280-N282 VanDerWaalsContact O-N 3.1Å |
| 281 | Q | 32.5 | Very low | 29.4 | Very low | 193 Ų | 193 | 146.9 Ų | 146.9 | 90% | 0.902 | 73% | 0.727 | S | S | * | * | | | trans | -80.2 | 85.3 | 172.1 | -75.3 | -164.6 | 0.8 | 0 | 0 | 110.8 | | |
| 282 | N | 29.4 | Very low | 29.2 | Very low | 155 Ų | 155 | 149.1 Ų | 149.1 | 83% | 0.829 | 74% | 0.744 | S | S | * | * | | | trans | -178 | 98.5 | 137.7 | -97.4 | -35.8 | 0 | 0 | 0 | 111.6 | N280 | N280-N282 PolarHBondContact O-N 3.14Å; N280-N282 VanDerWaalsContact O-N 3.1Å |
| 283 | I | 30.1 | Very low | 29.1 | Very low | 171 Ų | 171 | 153.3 Ų | 153.3 | 88% | 0.877 | 76% | 0.762 | S | S | * | * | | | | -165.8 | 145.6 | 115.4 | -97.3 | 157.2 | 0 | 0 | 0 | 108.5 | | |
| 284 | Q | 27.4 | Very low | 29 | Very low | 157 Ų | 157 | 150.8 Ų | 150.8 | 73% | 0.734 | 76% | 0.763 | S | S | * | * | | | trans | -79.8 | 152.2 | -177 | -86.5 | 178 | -88.3 | 0 | 0 | 113.4 | | |
| 285 | H | 27.8 | Very low | 28.9 | Very low | 146 Ų | 146 | 155 Ų | 155 | 68% | 0.676 | 78% | 0.782 | S | S | * | * | | | trans | 43.5 | 102.5 | 153.7 | -54 | -55.9 | 0 | 0 | 0 | 118.7 | | |
| 286 | D | 24 | Very low | 29 | Very low | 136 Ų | 136 | 152.8 Ų | 152.8 | 73% | 0.727 | 79% | 0.788 | S | S | * | * | | | | -132.1 | 109.5 | 102 | -156.8 | -31.1 | 0 | 0 | 0 | 109 | S288 | D286-S288 WeakPolarHBondContact OD1-CB 3.3Å; D286-S288 PolarHBondContact OD1-OG 3.44Å |
| 287 | W | 26 | Very low | 29.1 | Very low | 245 Ų | 245 | 150.3 Ų | 150.3 | 93% | 0.928 | 79% | 0.793 | S | S | * | * | | | trans | -109.9 | 71.8 | 177.5 | -101.7 | 63.9 | 0 | 0 | 0 | 108.4 | | |
| 288 | S | 25.2 | Very low | 29.5 | Very low | 78 Ų | 78 | 145.3 Ų | 145.3 | 55% | 0.545 | 78% | 0.781 | S | S | . | * | | | trans | -132 | 147.1 | 177.3 | 61.1 | 0 | 0 | 0 | 0 | 111.2 | D286 | D286-S288 WeakPolarHBondContact OD1-CB 3.3Å; D286-S288 PolarHBondContact OD1-OG 3.44Å |
| 289 | I | 29.2 | Very low | 30.1 | Very low | 144 Ų | 144 | 149.3 Ų | 149.3 | 74% | 0.738 | 78% | 0.782 | S | S | * | * | | | trans | 62.1 | 52.2 | 176.2 | -32.7 | -178.9 | 0 | 0 | 0 | 115.7 | N291 | I289-N291 PolarHBondContact O-N 2.95Š|
| 290 | L | 26.6 | Very low | 30.8 | Very low | 163 Ų | 163 | 147.5 Ų | 147.5 | 85% | 0.853 | 77% | 0.769 | S | S | * | * | | | trans | -92.9 | 51 | 148 | -147.2 | 170 | 0 | 0 | 0 | 109.7 | | |
| 291 | N | 25.8 | Very low | 32 | Very low | 141 Ų | 141 | 145.7 Ų | 145.7 | 75% | 0.754 | 75% | 0.754 | S | S | * | * | | | trans | -139.1 | 84.4 | -177 | -90.4 | -22.3 | 0 | 0 | 0 | 109.7 | I289 | I289-N291 PolarHBondContact O-N 2.95Š|
| 292 | T | 29.6 | Very low | 32.7 | Very low | 131 Ų | 131 | 140.4 Ų | 140.4 | 80% | 0.804 | 73% | 0.734 | S | S | * | * | | | trans | -172.2 | 53.9 | 161.1 | 11.8 | 0 | 0 | 0 | 0 | 112.5 | | |
| 293 | M | 31.7 | Very low | 33.9 | Very low | 193 Ų | 193 | 137.2 Ų | 137.2 | 95% | 0.951 | 71% | 0.713 | S | S | * | * | | | trans | -121 | 100.5 | 161.1 | -76.4 | -158.8 | 172.9 | 0 | 0 | 109.8 | | |
| 294 | P | 30.8 | Very low | 35 | Very low | 108 Ų | 108 | 132.2 Ų | 132.2 | 70% | 0.701 | 69% | 0.694 | S | S | * | * | | | trans | -80.4 | 148.9 | -178.8 | 32.1 | -34.2 | 0 | 0 | 0 | 112.1 | | |
| 295 | N | 34 | Very low | 36.2 | Very low | 163 Ų | 163 | 128.3 Ų | 128.3 | 87% | 0.872 | 68% | 0.675 | S | S | * | * | S | Bend | trans | 68.8 | 103.2 | 173.5 | -54.7 | -6.5 | 0 | 0 | 0 | 114.7 | | |
| 296 | G | 33.6 | Very low | 37.1 | Very low | 74 Ų | 74 | 127.2 Ų | 127.2 | 76% | 0.763 | 67% | 0.672 | S | S | * | * | | | trans | -89.3 | 138.2 | -179.9 | 0 | 0 | 0 | 0 | 0 | 114.3 | | |
| 297 | T | 33.5 | Very low | 38.2 | Very low | 126 Ų | 126 | 124.9 Ų | 124.9 | 77% | 0.773 | 66% | 0.66 | S | S | * | * | S | Bend | trans | -143 | -28.8 | 152.1 | 25.6 | 0 | 0 | 0 | 0 | 111.5 | | |
| 298 | D | 38.9 | Very low | 39.3 | Very low | 111 Ų | 111 | 117.4 Ų | 117.4 | 59% | 0.594 | 64% | 0.637 | S | S | * | * | S | Bend | trans | -86.8 | -5.5 | -171.6 | -57 | -49.8 | 0 | 0 | 0 | 115.7 | E300 F301 V302 | D298-E300 PolarHBondContact O-N 3.16Å; D298-F301 WeakPolarHBondContact O-CB 3.36Å; D298-F301 PolarHBondContact O-N 2.98Å; D298-V302 PolarHBondContact O-N 3.32Å |
| 299 | Y | 39.1 | Very low | 39.8 | Very low | 186 Ų | 186 | 118.6 Ų | 118.6 | 73% | 0.729 | 64% | 0.635 | S | S | * | * | H | α-helix | trans | -63.7 | -39.2 | -176.8 | -163.6 | -96.9 | 0 | 0 | 0 | 112.4 | F301 K303 | Y299-F301 VanDerWaalsContact C-N 3.35Å; Y299-K303 HydrophobicContact CE1-CD 4.44Å; Y299-K303 WeakPolarHBondContact O-CB 3.1Å; Y299-K303 PolarHBondContact O-N 2.87Å |
| 300 | E | 42.6 | Very low | 40.5 | Very low | 112 Ų | 112 | 118.8 Ų | 118.8 | 52% | 0.523 | 63% | 0.631 | S | S | . | * | H | α-helix | trans | -72.3 | -25.1 | 172.2 | -73.8 | -58.8 | 148.5 | 0 | 0 | 112.9 | D298 K303 S304 | D298-E300 PolarHBondContact O-N 3.16Å; E300-K303 IonicContact OE1-NZ 3.17Å; E300-K303 PolarHBondContact OE1-NZ 3.31Å; E300-K303 IonicContact OE2-NZ 2.91Å; E300-K303 PolarHBondContact OE2-NZ 3.4Å; E300-S304 WeakPolarHBondContact O-CA 3.22Å; E300-S304 WeakPolarHBondContact O-CB 3.28Å; E300-S304 PolarHBondContact O-N 3.06Å |
| 301 | F | 53.5 | Low | 41 | Very low | 127 Ų | 127 | 114.1 Ų | 114.1 | 56% | 0.557 | 61% | 0.612 | S | S | * | * | H | α-helix | trans | -69.4 | -47.1 | 172.2 | -179.7 | -100.9 | 0 | 0 | 0 | 111.1 | D298 Y299 K303 S304 Q305 | D298-F301 WeakPolarHBondContact O-CB 3.36Å; D298-F301 PolarHBondContact O-N 2.98Å; Y299-F301 VanDerWaalsContact C-N 3.35Å; F301-K303 PolarHBondContact O-N 3.04Å; F301-S304 WeakPolarHBondContact O-CB 3.46Å; F301-S304 PolarHBondContact O-N 3.49Å; F301-Q305 HydrophobicContact CD1-CG 4.45Å; F301-Q305 HydrophobicContact CE1-CG 4.05Å; F301-Q305 HydrophobicContact CE2-CG 4.34Å; F301-Q305 HydrophobicContact CZ-CG 3.99Å; F301-Q305 WeakPolarHBondContact O-CG 3.37Å; F301-Q305 PolarHBondContact O-N 2.8Å |
| 302 | V | 47.2 | Very low | 41.5 | Very low | 81 Ų | 81 | 112.3 Ų | 112.3 | 49% | 0.491 | 61% | 0.606 | S | S | . | * | H | α-helix | trans | -63.6 | -41.7 | 176.4 | 176.3 | 0 | 0 | 0 | 0 | 111.2 | D298 Q305 M306 | D298-V302 PolarHBondContact O-N 3.32Å; V302-Q305 PolarHBondContact O-N 2.99Å; V302-M306 PolarHBondContact O-N 2.85Å |
| 303 | K | 54.6 | Low | 41.8 | Very low | 88 Ų | 88 | 114.3 Ų | 114.3 | 38% | 0.383 | 61% | 0.606 | S | S | . | * | H | α-helix | trans | -66.6 | -37.2 | 175.1 | 178.7 | 168.9 | 161.1 | -109.5 | 0 | 112.5 | Y299 E300 F301 M306 N307 | Y299-K303 HydrophobicContact CE1-CD 4.44Å; Y299-K303 WeakPolarHBondContact O-CB 3.1Å; Y299-K303 PolarHBondContact O-N 2.87Å; E300-K303 IonicContact OE1-NZ 3.17Å; E300-K303 PolarHBondContact OE1-NZ 3.31Å; E300-K303 IonicContact OE2-NZ 2.91Å; E300-K303 PolarHBondContact OE2-NZ 3.4Å; F301-K303 PolarHBondContact O-N 3.04Å; K303-M306 PolarHBondContact O-N 2.88Å; K303-N307 WeakPolarHBondContact O-CB 3.46Å; K303-N307 VanDerWaalsContact O-CG 3.29Å; K303-N307 PolarHBondContact O-N 3.44Å; K303-N307 PolarHBondContact O-ND2 3.21Å |
| 304 | S | 54.2 | Low | 41.8 | Very low | 67 Ų | 67 | 112.8 Ų | 112.8 | 47% | 0.469 | 60% | 0.597 | S | S | . | * | H | α-helix | trans | -62.9 | -46.6 | 171.6 | 178.1 | 0 | 0 | 0 | 0 | 111.2 | E300 F301 N307 L308 | E300-S304 WeakPolarHBondContact O-CA 3.22Å; E300-S304 WeakPolarHBondContact O-CB 3.28Å; E300-S304 PolarHBondContact O-N 3.06Å; F301-S304 WeakPolarHBondContact O-CB 3.46Å; F301-S304 PolarHBondContact O-N 3.49Å; S304-N307 PolarHBondContact O-N 3.02Å; S304-L308 WeakPolarHBondContact O-CB 3.29Å; S304-L308 PolarHBondContact O-N 2.87Å |
| 305 | Q | 53.5 | Low | 41.7 | Very low | 75 Ų | 75 | 114.6 Ų | 114.6 | 35% | 0.35 | 60% | 0.6 | S | S | . | * | H | α-helix | trans | -65.5 | -38.1 | 176.7 | -68.4 | -64.6 | -22.1 | 0 | 0 | 112.9 | F301 V302 L308 M309 | F301-Q305 HydrophobicContact CD1-CG 4.45Å; F301-Q305 HydrophobicContact CE1-CG 4.05Å; F301-Q305 HydrophobicContact CE2-CG 4.34Å; F301-Q305 HydrophobicContact CZ-CG 3.99Å; F301-Q305 WeakPolarHBondContact O-CG 3.37Å; F301-Q305 PolarHBondContact O-N 2.8Å; V302-Q305 PolarHBondContact O-N 2.99Å; Q305-L308 PolarHBondContact O-N 2.73Å; Q305-M309 PolarHBondContact O-N 3.37Å |
| 306 | M | 46.1 | Very low | 41.5 | Very low | 122 Ų | 122 | 115.1 Ų | 115.1 | 60% | 0.601 | 60% | 0.603 | S | S | * | * | H | α-helix | trans | -64.7 | -39.1 | 172.1 | -84.4 | -169.6 | 161.4 | 0 | 0 | 112.8 | V302 K303 K310 | V302-M306 PolarHBondContact O-N 2.85Å; K303-M306 PolarHBondContact O-N 2.88Å; M306-K310 PolarHBondContact O-N 2.82Å; M306-K310 VanDerWaalsContact O-N 3.13Å |
| 307 | N | 46.3 | Very low | 41.3 | Very low | 88 Ų | 88 | 116.6 Ų | 116.6 | 47% | 0.471 | 60% | 0.602 | S | S | . | * | H | α-helix | trans | -72.8 | -33 | 175.9 | -73.3 | -18.2 | 0 | 0 | 0 | 112 | K303 S304 K310 S311 | K303-N307 WeakPolarHBondContact O-CB 3.46Å; K303-N307 VanDerWaalsContact O-CG 3.29Å; K303-N307 PolarHBondContact O-N 3.44Å; K303-N307 PolarHBondContact O-ND2 3.21Å; S304-N307 PolarHBondContact O-N 3.02Å; N307-K310 PolarHBondContact O-N 3.34Å; N307-S311 PolarHBondContact O-N 3.2Å |
| 308 | L | 49.1 | Very low | 41.2 | Very low | 88 Ų | 88 | 117.9 Ų | 117.9 | 46% | 0.461 | 60% | 0.604 | S | S | . | * | H | α-helix | trans | -62.4 | -48.7 | 172.9 | -168.4 | 66.3 | 0 | 0 | 0 | 110.2 | S304 Q305 K310 S311 T312 | S304-L308 WeakPolarHBondContact O-CB 3.29Å; S304-L308 PolarHBondContact O-N 2.87Å; Q305-L308 PolarHBondContact O-N 2.73Å; L308-K310 VanDerWaalsContact C-N 3.27Å; L308-K310 PolarHBondContact O-N 3.07Å; L308-S311 WeakPolarHBondContact CA-OG 3.23Å; L308-S311 PolarHBondContact O-N 3.35Å; L308-S311 PolarHBondContact O-OG 3.38Å; L308-T312 PolarHBondContact O-N 3.45Å; L308-T312 PolarHBondContact O-OG1 3.08Å |
| 309 | M | 37.1 | Very low | 40.7 | Very low | 102 Ų | 102 | 123.3 Ų | 123.3 | 50% | 0.502 | 62% | 0.618 | S | S | . | * | H | α-helix | trans | -61.2 | -28.7 | 174.4 | -85.8 | -174.2 | -83.1 | 0 | 0 | 114.1 | Q305 T312 | Q305-M309 PolarHBondContact O-N 3.37Å; M309-T312 WeakPolarHBondContact CA-OG1 3.35Å; M309-T312 PolarHBondContact O-OG1 3.02Å; M309-T312 VanDerWaalsContact O-OG1 3.08Å |
| 310 | K | 43.3 | Very low | 40.1 | Very low | 148 Ų | 148 | 122 Ų | 122 | 64% | 0.643 | 62% | 0.618 | S | S | * | * | H | α-helix | trans | -70.3 | -47.2 | 168.8 | -75.6 | -178.5 | 173.9 | -175.8 | 0 | 111.7 | M306 N307 L308 T312 H313 | M306-K310 PolarHBondContact O-N 2.82Å; M306-K310 VanDerWaalsContact O-N 3.13Å; N307-K310 PolarHBondContact O-N 3.34Å; L308-K310 VanDerWaalsContact C-N 3.27Å; L308-K310 PolarHBondContact O-N 3.07Å; K310-T312 VanDerWaalsContact C-N 3.25Å; K310-T312 PolarHBondContact O-N 2.99Å; K310-H313 PolarHBondContact O-N 3.16Å; K310-H313 VanDerWaalsContact O-N 3.15Å |
| 311 | S | 37.3 | Very low | 39.5 | Very low | 65 Ų | 65 | 122.6 Ų | 122.6 | 46% | 0.455 | 63% | 0.625 | S | S | . | * | H | α-helix | trans | -63.2 | -28.6 | -178.6 | 70.5 | 0 | 0 | 0 | 0 | 113.8 | N307 L308 H313 | N307-S311 PolarHBondContact O-N 3.2Å; L308-S311 WeakPolarHBondContact CA-OG 3.23Å; L308-S311 PolarHBondContact O-N 3.35Å; L308-S311 PolarHBondContact O-OG 3.38Å; S311-H313 PolarHBondContact O-N 3.44Å |
| 312 | T | 36.9 | Very low | 38.4 | Very low | 104 Ų | 104 | 126.9 Ų | 126.9 | 64% | 0.638 | 64% | 0.639 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -75.7 | -1 | 177.8 | 48.4 | 0 | 0 | 0 | 0 | 114.5 | L308 M309 K310 | L308-T312 PolarHBondContact O-N 3.45Å; L308-T312 PolarHBondContact O-OG1 3.08Å; M309-T312 WeakPolarHBondContact CA-OG1 3.35Å; M309-T312 PolarHBondContact O-OG1 3.02Å; M309-T312 VanDerWaalsContact O-OG1 3.08Å; K310-T312 VanDerWaalsContact C-N 3.25Å; K310-T312 PolarHBondContact O-N 2.99Å |
| 313 | H | 34.3 | Very low | 37.3 | Very low | 172 Ų | 172 | 127.8 Ų | 127.8 | 80% | 0.796 | 65% | 0.649 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -114.1 | -2.7 | 177.8 | -112.2 | -66 | 0 | 0 | 0 | 115 | K310 S311 | K310-H313 PolarHBondContact O-N 3.16Å; K310-H313 VanDerWaalsContact O-N 3.15Å; S311-H313 PolarHBondContact O-N 3.44Å |
| 314 | E | 31.2 | Very low | 36.4 | Very low | 162 Ų | 162 | 128.8 Ų | 128.8 | 76% | 0.757 | 66% | 0.664 | S | S | * | * | S | Bend | trans | -118.5 | 51.6 | -178 | -66.6 | -173.2 | 151.6 | 0 | 0 | 112.4 | | |
| 315 | N | 29.3 | Very low | 35.1 | Very low | 146 Ų | 146 | 136 Ų | 136 | 78% | 0.781 | 68% | 0.683 | S | S | * | * | | | trans | -155.1 | 63.8 | 169.3 | -101.8 | -50.4 | 0 | 0 | 0 | 112.9 | | |
| 316 | N | 29.7 | Very low | 33.8 | Very low | 174 Ų | 174 | 141.1 Ų | 141.1 | 93% | 0.93 | 70% | 0.704 | S | S | * | * | | | trans | -158 | 57.5 | 160.9 | -120.3 | -22.1 | 0 | 0 | 0 | 111.6 | | |
| 317 | S | 30.2 | Very low | 32.9 | Very low | 105 Ų | 105 | 139.9 Ų | 139.9 | 73% | 0.734 | 71% | 0.708 | S | S | * | * | | | trans | -100 | 107.6 | 179.4 | 55.6 | 0 | 0 | 0 | 0 | 111.4 | | |
| 318 | N | 30.1 | Very low | 32 | Very low | 153 Ų | 153 | 144.9 Ų | 144.9 | 82% | 0.818 | 72% | 0.721 | S | S | * | * | | | trans | -152.2 | 79.8 | 165.2 | -101.9 | -29.6 | 0 | 0 | 0 | 110.7 | | |
| 319 | Y | 28.6 | Very low | 30.8 | Very low | 225 Ų | 225 | 147.1 Ų | 147.1 | 88% | 0.882 | 73% | 0.731 | S | S | * | * | | | | -160.9 | 139.8 | 111.9 | -112.9 | -73.9 | 0 | 0 | 0 | 110.5 | | |
| 320 | E | 27.2 | Very low | 30.4 | Very low | 157 Ų | 157 | 148.3 Ų | 148.3 | 73% | 0.734 | 74% | 0.739 | S | S | * | * | | | trans | -81.8 | 161.6 | -172.5 | -57.1 | 158.2 | 115 | 0 | 0 | 112.2 | | |
| 321 | N | 30.1 | Very low | 29.6 | Very low | 125 Ų | 125 | 146.5 Ų | 146.5 | 67% | 0.668 | 74% | 0.737 | S | S | * | * | | | | 175.6 | 108 | 116.3 | -95.1 | -66.5 | 0 | 0 | 0 | 113.5 | | |
| 322 | Y | 29.2 | Very low | 29.1 | Very low | 218 Ų | 218 | 148.7 Ų | 148.7 | 86% | 0.855 | 74% | 0.743 | S | S | * | * | | | trans | 56.1 | 160.8 | 157.2 | -61.7 | -90.7 | 0 | 0 | 0 | 120.7 | | |
| 323 | S | 25.5 | Very low | 28.7 | Very low | 100 Ų | 100 | 148.4 Ų | 148.4 | 70% | 0.699 | 74% | 0.738 | S | S | * | * | | | cis | -172.8 | 145.3 | -39 | -170.4 | 0 | 0 | 0 | 0 | 109 | | |
| 324 | P | 34.9 | Very low | 28.6 | Very low | 109 Ų | 109 | 146 Ų | 146 | 71% | 0.708 | 73% | 0.731 | S | S | * | * | | | trans | -110.1 | 156.9 | -170 | 39.9 | -34.1 | 0 | 0 | 0 | 116.8 | | |
| 325 | Y | 27.1 | Very low | 28.4 | Very low | 218 Ų | 218 | 142.5 Ų | 142.5 | 86% | 0.855 | 72% | 0.717 | S | S | * | * | | | trans | -147 | 130.2 | 156 | -100 | -96.8 | 0 | 0 | 0 | 107 | | |
| 326 | F | 27.1 | Very low | 28.5 | Very low | 182 Ų | 182 | 139.4 Ų | 139.4 | 80% | 0.798 | 71% | 0.707 | S | S | * | * | | | | 54.9 | 136.1 | 79.9 | -82.8 | -81.4 | 0 | 0 | 0 | 114.3 | | |
| 327 | S | 26.6 | Very low | 28.6 | Very low | 96 Ų | 96 | 136.9 Ų | 136.9 | 67% | 0.671 | 69% | 0.694 | S | S | * | * | | | cis | -161.9 | 152.4 | 11.9 | 60.4 | 0 | 0 | 0 | 0 | 115.5 | | |
| 328 | Y | 26.5 | Very low | 28.8 | Very low | 193 Ų | 193 | 136.2 Ų | 136.2 | 76% | 0.757 | 68% | 0.682 | S | S | * | * | | | trans | 62.2 | 123.1 | 137.5 | -91.4 | -128.6 | 0 | 0 | 0 | 123.8 | | |
| 329 | M | 25.5 | Very low | 28.7 | Very low | 135 Ų | 135 | 135.7 Ų | 135.7 | 67% | 0.665 | 67% | 0.674 | S | S | * | * | | | trans | 77.9 | 134.4 | 132.1 | -64.7 | -63.7 | -164.9 | 0 | 0 | 123.6 | | |
| 330 | D | 27.7 | Very low | 28.6 | Very low | 127 Ų | 127 | 133.2 Ų | 133.2 | 68% | 0.679 | 67% | 0.665 | S | S | * | * | | | trans | 64.5 | 147.3 | 132.9 | -78.4 | 32 | 0 | 0 | 0 | 123.3 | | |
| 331 | N | 27.4 | Very low | 28.8 | Very low | 110 Ų | 110 | 131.7 Ų | 131.7 | 59% | 0.588 | 66% | 0.662 | S | S | * | * | | | cis | -163.2 | 158.5 | -23.6 | -134.8 | -35.1 | 0 | 0 | 0 | 111.6 | | |
| 332 | N | 26.4 | Very low | 28.6 | Very low | 111 Ų | 111 | 134.2 Ų | 134.2 | 59% | 0.594 | 66% | 0.663 | S | S | * | * | | | trans | 57.5 | 127.6 | 147.9 | -74.4 | -40.4 | 0 | 0 | 0 | 124.4 | | |
| 333 | N | 28 | Very low | 28.6 | Very low | 98 Ų | 98 | 131.1 Ų | 131.1 | 52% | 0.524 | 66% | 0.66 | S | S | . | * | | | trans | 69.9 | 122 | 132.8 | -60.7 | -21.9 | 0 | 0 | 0 | 122.2 | | |
| 334 | N | 31.8 | Very low | 28.7 | Very low | 122 Ų | 122 | 132.9 Ų | 132.9 | 65% | 0.652 | 66% | 0.662 | S | S | * | * | | | | -158.3 | 160.6 | 99.8 | -99.5 | -32.4 | 0 | 0 | 0 | 114.5 | S91 | S91-N334 WeakPolarHBondContact CB-OD1 3.45Å; S91-N334 PolarHBondContact OG-OD1 3.49Å |
| 335 | N | 27.5 | Very low | 28.3 | Very low | 88 Ų | 88 | 136.7 Ų | 136.7 | 47% | 0.471 | 66% | 0.662 | S | S | . | * | | | trans | -65.6 | 171.3 | -173.7 | -46.6 | -72.2 | 0 | 0 | 0 | 113.7 | Y89 S90 S91 | Y89-N335 HydrophobicContact CE1-CB 4.18Å; S90-N335 PolarHBondContact OG-ND2 2.87Å; S90-N335 PolarHBondContact OG-OD1 3.18Å; S91-N335 PolarHBondContact OG-ND2 2.92Å |
| 336 | S | 31.2 | Very low | 28.3 | Very low | 82 Ų | 82 | 129.5 Ų | 129.5 | 57% | 0.573 | 64% | 0.641 | S | S | * | * | | | cis | -142.6 | 178.4 | 16.5 | 61.2 | 0 | 0 | 0 | 0 | 110.6 | | |
| 337 | D | 32.2 | Very low | 28.4 | Very low | 120 Ų | 120 | 125.2 Ų | 125.2 | 64% | 0.642 | 62% | 0.624 | S | S | * | * | | | cis | -152.9 | -179.5 | 31.3 | -119.2 | -56.2 | 0 | 0 | 0 | 115.4 | H88 | H88-D337 IonicContact CE1-OD1 3.53Š|
| 338 | N | 33.6 | Very low | 28.4 | Very low | 91 Ų | 91 | 126 Ų | 126 | 49% | 0.487 | 62% | 0.618 | S | S | . | * | | | trans | -82.7 | 137.3 | -162.3 | -67.8 | -68.9 | 0 | 0 | 0 | 118.5 | H88 | H88-N338 PolarHBondContact CE1-ND2 3.19Å; H88-N338 PolarHBondContact ND1-ND2 3.45Å; H88-N338 PolarHBondContact NE2-ND2 2.75Å |
| 339 | H | 28.9 | Very low | 28.4 | Very low | 142 Ų | 142 | 123.4 Ų | 123.4 | 66% | 0.657 | 62% | 0.616 | S | S | * | * | | | trans | 18.5 | 137.9 | 133.1 | -91.6 | -58.3 | 0 | 0 | 0 | 124.4 | | |
| 340 | Y | 26 | Very low | 28.4 | Very low | 173 Ų | 173 | 123.8 Ų | 123.8 | 68% | 0.678 | 62% | 0.621 | S | S | * | * | | | trans | 65.1 | 106 | 140.9 | -65.6 | -46.6 | 0 | 0 | 0 | 121.2 | | |
| 341 | N | 31.2 | Very low | 28.5 | Very low | 126 Ų | 126 | 127.2 Ų | 127.2 | 67% | 0.674 | 63% | 0.63 | S | S | * | * | | | | 170.5 | 160.3 | 103.7 | -87.3 | -31.8 | 0 | 0 | 0 | 110.3 | | |
| 342 | Y | 26.9 | Very low | 28.4 | Very low | 178 Ų | 178 | 128.1 Ų | 128.1 | 70% | 0.698 | 64% | 0.639 | S | S | * | * | | | cis | -170.3 | 152.2 | -37.1 | -147.2 | -98.6 | 0 | 0 | 0 | 105.2 | | |
| 343 | L | 28.7 | Very low | 28.5 | Very low | 152 Ų | 152 | 130 Ų | 130 | 80% | 0.796 | 65% | 0.648 | S | S | * | * | | | trans | 66.6 | 163.8 | 174.5 | -76.1 | 150.7 | 0 | 0 | 0 | 119.2 | | |
| 344 | N | 27.5 | Very low | 28.7 | Very low | 138 Ų | 138 | 133.8 Ų | 133.8 | 74% | 0.738 | 67% | 0.667 | S | S | * | * | | | trans | -61.2 | 163 | 164 | -55.6 | -73.2 | 0 | 0 | 0 | 110.5 | | |
| 345 | R | 27.2 | Very low | 28.6 | Very low | 188 Ų | 188 | 131.1 Ų | 131.1 | 71% | 0.709 | 67% | 0.668 | S | S | * | * | | | cis | -163.4 | 157.5 | 36.3 | -149 | -173.6 | -172.6 | -177.8 | 1.3 | 114.8 | D79 | D79-R345 PolarHBondContact OD2-N 3.46Š|
| 346 | T | 25.7 | Very low | 28.5 | Very low | 67 Ų | 67 | 134.9 Ų | 134.9 | 41% | 0.411 | 69% | 0.689 | S | S | . | * | | | trans | 64.6 | 173 | 162.8 | 68.1 | 0 | 0 | 0 | 0 | 119.6 | C77 N78 | C77-T346 VanDerWaalsContact C-OG1 3.24Å; C77-T346 WeakPolarHBondContact CA-OG1 3.35Å; C77-T346 PolarHBondContact N-OG1 3.14Å; N78-T346 PolarHBondContact N-OG1 3.28Å |
| 347 | E | 29.8 | Very low | 28.6 | Very low | 93 Ų | 93 | 135 Ų | 135 | 44% | 0.435 | 69% | 0.69 | S | S | . | * | | | | -175.2 | 169 | -51.5 | -163.5 | 162.3 | -176.9 | 0 | 0 | 110.6 | S75 S76 | S75-E347 VanDerWaalsContact CA-CD 3.45Å; S75-E347 VanDerWaalsContact CA-OE1 3.24Å; S75-E347 WeakPolarHBondContact CA-OE1 3.21Å; S75-E347 WeakPolarHBondContact CA-OE2 3.34Å; S75-E347 PolarHBondContact N-OE1 3.09Å; S75-E347 PolarHBondContact N-OE2 3.36Å; S76-E347 WeakPolarHBondContact CA-OE2 3.46Å; S76-E347 PolarHBondContact N-OE2 3.39Å |
| 348 | M | 27.1 | Very low | 28.4 | Very low | 112 Ų | 112 | 135.8 Ų | 135.8 | 55% | 0.552 | 69% | 0.694 | S | S | * | * | | | trans | 79 | 136.4 | 164.5 | -99.4 | -152.4 | -169.4 | 0 | 0 | 123.5 | S76 | S76-M348 WeakPolarHBondContact OG-CE 3.33Å; S76-M348 WeakPolarHBondContact OG-CG 3.48Å; S76-M348 PolarHBondContact OG-SD 3.14Å; S76-M348 VanDerWaalsContact OG-SD 3.38Å |
| 349 | L | 26.6 | Very low | 28.3 | Very low | 138 Ų | 138 | 138.4 Ų | 138.4 | 72% | 0.723 | 71% | 0.707 | S | S | * | * | | | trans | 69.5 | 92.9 | 143.1 | -70.7 | 175.9 | 0 | 0 | 0 | 124.3 | | |
| 350 | N | 26.1 | Very low | 28.2 | Very low | 143 Ų | 143 | 136.2 Ų | 136.2 | 77% | 0.765 | 71% | 0.708 | S | S | * | * | | | | 25.1 | 111.6 | 117.2 | -70.7 | -19 | 0 | 0 | 0 | 121.3 | | |
| 351 | K | 28.9 | Very low | 28.7 | Very low | 199 Ų | 199 | 135.2 Ų | 135.2 | 87% | 0.865 | 71% | 0.712 | S | S | * | * | | | | -173 | 118.8 | 124.4 | -98.9 | 156.8 | -176.4 | 176.8 | 0 | 108.1 | | |
| 352 | V | 25.4 | Very low | 28.5 | Very low | 129 Ų | 129 | 134.9 Ų | 134.9 | 78% | 0.782 | 72% | 0.72 | S | S | * | * | | | | 79.3 | 134.6 | 61.4 | 176.7 | 0 | 0 | 0 | 0 | 112.9 | | |
| 353 | I | 28.1 | Very low | 29.1 | Very low | 152 Ų | 152 | 131.3 Ų | 131.3 | 78% | 0.779 | 72% | 0.719 | S | S | * | * | | | trans | 81.6 | 94.6 | -177.8 | -38 | -169.7 | 0 | 0 | 0 | 117.4 | | |
| 354 | L | 31.9 | Very low | 29.3 | Very low | 176 Ų | 176 | 131.7 Ų | 131.7 | 92% | 0.921 | 72% | 0.72 | S | S | * | * | | | trans | 148.7 | 128 | 140.7 | -83.4 | 176.1 | 0 | 0 | 0 | 106.5 | | |
| 355 | G | 29.4 | Very low | 29.4 | Very low | 66 Ų | 66 | 130.2 Ų | 130.2 | 68% | 0.68 | 72% | 0.719 | S | S | * | * | | | cis | 174.1 | 153.6 | -1 | 0 | 0 | 0 | 0 | 0 | 107.9 | | |
| 356 | N | 27.2 | Very low | 29.7 | Very low | 167 Ų | 167 | 126.6 Ų | 126.6 | 89% | 0.893 | 72% | 0.723 | S | S | * | * | | | trans | -59.7 | 162.7 | 175.6 | -40.5 | -40.7 | 0 | 0 | 0 | 110.2 | | |
| 357 | S | 32.2 | Very low | 29.8 | Very low | 86 Ų | 86 | 134.5 Ų | 134.5 | 60% | 0.601 | 75% | 0.745 | S | S | * | * | | | cis | -160.8 | -178.8 | 22.1 | 58.7 | 0 | 0 | 0 | 0 | 111.5 | | |
| 358 | D | 29.1 | Very low | 29.9 | Very low | 136 Ų | 136 | 135.2 Ų | 135.2 | 73% | 0.727 | 76% | 0.758 | S | S | * | * | | | trans | 61.3 | 135.5 | 146.4 | -56.8 | -31.8 | 0 | 0 | 0 | 119 | | |
| 359 | L | 31.2 | Very low | 30 | Very low | 145 Ų | 145 | 133 Ų | 133 | 76% | 0.759 | 75% | 0.753 | S | S | * | * | | | cis | -161.7 | 140.7 | 18.6 | -120.7 | 157.8 | 0 | 0 | 0 | 110.9 | | |
| 360 | S | 26.7 | Very low | 30.2 | Very low | 97 Ų | 97 | 131.9 Ų | 131.9 | 68% | 0.678 | 74% | 0.743 | S | S | * | * | | | trans | 55.4 | 168.8 | 146.1 | 67.9 | 0 | 0 | 0 | 0 | 123.2 | | |
| 361 | I | 36.3 | Very low | 30.5 | Very low | 151 Ų | 151 | 126.4 Ų | 126.4 | 77% | 0.774 | 72% | 0.715 | S | S | * | * | | | trans | 73.3 | 88.8 | 169.1 | -47.9 | 176.9 | 0 | 0 | 0 | 116.2 | | |
| 362 | S | 26.7 | Very low | 30.7 | Very low | 119 Ų | 119 | 121 Ų | 121 | 83% | 0.832 | 70% | 0.695 | S | S | * | * | | | trans | -73.1 | 137.6 | 168.1 | 53.6 | 0 | 0 | 0 | 0 | 113.8 | | |
| 363 | P | 39.4 | Very low | 31 | Very low | 104 Ų | 104 | 118.7 Ų | 118.7 | 68% | 0.675 | 68% | 0.682 | S | S | * | * | | | trans | -118.4 | 137.4 | 167.3 | 8.1 | 14.9 | 0 | 0 | 0 | 115.5 | | |
| 364 | I | 32.5 | Very low | 31 | Very low | 159 Ų | 159 | 118.6 Ų | 118.6 | 82% | 0.815 | 68% | 0.683 | S | S | * | * | | | trans | 84.2 | 139.2 | 130.8 | -66 | 169.9 | 0 | 0 | 0 | 121.1 | | |
| 365 | C | 29.5 | Very low | 31 | Very low | 108 Ų | 108 | 116.1 Ų | 116.1 | 73% | 0.73 | 68% | 0.675 | S | S | * | * | | | trans | 80.6 | 111.8 | 159.1 | -84.1 | 0 | 0 | 0 | 0 | 122.9 | | |
| 366 | S | 33.7 | Very low | 30.9 | Very low | 112 Ų | 112 | 118.1 Ų | 118.1 | 78% | 0.783 | 68% | 0.678 | S | S | * | * | | | | 77.1 | 114.5 | 122.2 | -56.4 | 0 | 0 | 0 | 0 | 121.6 | | |
| 367 | R | 28.8 | Very low | 31 | Very low | 232 Ų | 232 | 115 Ų | 115 | 88% | 0.875 | 67% | 0.67 | S | S | * | * | | | trans | -64.4 | 165.9 | 156.4 | -102.8 | -175.5 | 173 | -175.4 | -1.8 | 111.4 | | |
| 368 | P | 32.2 | Very low | 30.8 | Very low | 109 Ų | 109 | 116.7 Ų | 116.7 | 71% | 0.708 | 68% | 0.677 | S | S | * | * | | | cis | -134.3 | 177.7 | 32.4 | 42.6 | -26.5 | 0 | 0 | 0 | 118.7 | | |
| 369 | S | 27.3 | Very low | 30.6 | Very low | 65 Ų | 65 | 112.6 Ų | 112.6 | 46% | 0.455 | 66% | 0.658 | S | S | . | * | | | trans | 72.9 | 72.1 | 157.6 | -64.2 | 0 | 0 | 0 | 0 | 118.8 | S382 | S369-S382 VanDerWaalsContact O-CA 3.27Å; S369-S382 WeakPolarHBondContact O-CA 3.4Å; S369-S382 WeakPolarHBondContact O-CB 3.34Å; S369-S382 PolarHBondContact O-OG 3.34Å |
| 370 | F | 31.3 | Very low | 30.6 | Very low | 115 Ų | 115 | 110.9 Ų | 110.9 | 50% | 0.504 | 65% | 0.649 | S | S | . | * | | | trans | -131.4 | 124.8 | 147.7 | -81.3 | -111.9 | 0 | 0 | 0 | 106.9 | C379 L380 L381 | F370-C379 CarbonylContact O-C 3.57Å; F370-L380 VanDerWaalsContact C-N 3.33Å; F370-L380 HydrophobicContact CB-CB 3.6Å; F370-L380 HydrophobicContact CD1-CB 4.33Å; F370-L380 HydrophobicContact CG-CB 4.46Å; F370-L381 VanDerWaalsContact CA-N 3.28Å; F370-L381 WeakPolarHBondContact CA-O 3.38Å; F370-L381 VanDerWaalsContact CB-N 3.27Å; F370-L381 VanDerWaalsContact CD1-N 3.26Å |
| 371 | T | 32.7 | Very low | 31.1 | Very low | 27 Ų | 27 | 109.3 Ų | 109.3 | 17% | 0.166 | 63% | 0.633 | C | S | . | * | | | cis | 146.6 | -99.3 | -6.6 | 166.3 | 0 | 0 | 0 | 0 | 112.8 | C379 L381 K389 | T371-C379 VanDerWaalsContact N-C 3.26Å; T371-C379 WeakPolarHBondContact O-CA 3.32Å; T371-L381 WeakPolarHBondContact CA-O 3.4Å; T371-L381 WeakPolarHBondContact CB-O 3.35Å; T371-L381 WeakPolarHBondContact CG2-O 3.46Å; T371-L381 PolarHBondContact OG1-O 2.89Å; T371-K389 VanDerWaalsContact CB-NZ 3.28Å; T371-K389 WeakPolarHBondContact O-CE 3.36Å; T371-K389 PolarHBondContact O-NZ 3.1Å; T371-K389 WeakPolarHBondContact OG1-CD 3.27Å; T371-K389 WeakPolarHBondContact OG1-CE 3.46Å; T371-K389 PolarHBondContact OG1-NZ 3.29Å |
| 372 | L | 33.1 | Very low | 30.9 | Very low | 86 Ų | 86 | 104.7 Ų | 104.7 | 45% | 0.45 | 61% | 0.614 | S | S | . | * | | | trans | 179.3 | 133.3 | 151 | -105.3 | 170.4 | 0 | 0 | 0 | 111.8 | L380 L381 | L372-L380 CarbonylContact C-O 3.54Å; L372-L381 VanDerWaalsContact N-CB 3.34Å; L372-L381 VanDerWaalsContact N-N 3.1Å; L372-L381 VanDerWaalsContact O-CB 3.27Å; L372-L381 WeakPolarHBondContact O-CB 3.36Å |
| 373 | P | 31.5 | Very low | 30.9 | Very low | 80 Ų | 80 | 104.8 Ų | 104.8 | 52% | 0.519 | 61% | 0.605 | S | S | . | * | | | | -140.7 | -170.2 | 81.2 | 44 | -31.3 | 0 | 0 | 0 | 115.5 | L380 | P373-L380 WeakPolarHBondContact CD-O 3.28Š|
| 374 | L | 28.4 | Very low | 30.5 | Very low | 150 Ų | 150 | 109.8 Ų | 109.8 | 79% | 0.785 | 61% | 0.612 | S | S | * | * | S | Bend | trans | 71.1 | 145.8 | -178.3 | -74.8 | 171.8 | 0 | 0 | 0 | 117.7 | | |
| 375 | T | 30.8 | Very low | 30.6 | Very low | 125 Ų | 125 | 107.5 Ų | 107.5 | 77% | 0.767 | 61% | 0.61 | S | S | * | * | S | Bend | trans | 59.9 | 159.5 | 176.1 | 58.8 | 0 | 0 | 0 | 0 | 117.3 | | |
| 376 | S | 29.3 | Very low | 30.7 | Very low | 107 Ų | 107 | 108.9 Ų | 108.9 | 75% | 0.748 | 62% | 0.615 | S | S | * | * | S | Bend | trans | -63.9 | 134.4 | 167.2 | 49 | 0 | 0 | 0 | 0 | 110.4 | | |
| 377 | S | 28.8 | Very low | 30.4 | Very low | 102 Ų | 102 | 109.4 Ų | 109.4 | 71% | 0.713 | 62% | 0.618 | S | S | * | * | S | Bend | trans | 81 | 86.5 | 174.3 | -48.3 | 0 | 0 | 0 | 0 | 117.1 | | |
| 378 | T | 27.7 | Very low | 30.3 | Very low | 121 Ų | 121 | 102.2 Ų | 102.2 | 74% | 0.742 | 60% | 0.604 | S | S | * | * | S | Bend | trans | 62.7 | 103 | 145.4 | 56.8 | 0 | 0 | 0 | 0 | 121 | | |
| 379 | C | 25.2 | Very low | 30 | Very low | 50 Ų | 50 | 101.5 Ų | 101.5 | 34% | 0.338 | 59% | 0.59 | S | S | . | * | | | trans | 90.3 | 117.1 | 139.5 | -60.2 | 0 | 0 | 0 | 0 | 122 | F370 T371 | F370-C379 CarbonylContact O-C 3.57Å; T371-C379 VanDerWaalsContact N-C 3.26Å; T371-C379 WeakPolarHBondContact O-CA 3.32Å |
| 380 | L | 31.8 | Very low | 30.2 | Very low | 109 Ų | 109 | 104.4 Ų | 104.4 | 57% | 0.571 | 60% | 0.596 | S | S | * | * | | | trans | -164.2 | 38.2 | -164.6 | 90.5 | 73.1 | 0 | 0 | 0 | 121.6 | F370 L372 P373 | F370-L380 VanDerWaalsContact C-N 3.33Å; F370-L380 HydrophobicContact CB-CB 3.6Å; F370-L380 HydrophobicContact CD1-CB 4.33Å; F370-L380 HydrophobicContact CG-CB 4.46Å; L372-L380 CarbonylContact C-O 3.54Å; P373-L380 WeakPolarHBondContact CD-O 3.28Å |
| 381 | L | 35.2 | Very low | 30.1 | Very low | 65 Ų | 65 | 107 Ų | 107 | 34% | 0.34 | 61% | 0.61 | S | S | . | * | | | trans | -166.4 | 141 | -175.2 | 179.1 | -79.8 | 0 | 0 | 0 | 117 | F370 T371 L372 | F370-L381 VanDerWaalsContact CA-N 3.28Å; F370-L381 WeakPolarHBondContact CA-O 3.38Å; F370-L381 VanDerWaalsContact CB-N 3.27Å; F370-L381 VanDerWaalsContact CD1-N 3.26Å; T371-L381 WeakPolarHBondContact CA-O 3.4Å; T371-L381 WeakPolarHBondContact CB-O 3.35Å; T371-L381 WeakPolarHBondContact CG2-O 3.46Å; T371-L381 PolarHBondContact OG1-O 2.89Å; L372-L381 VanDerWaalsContact N-CB 3.34Å; L372-L381 VanDerWaalsContact N-N 3.1Å; L372-L381 VanDerWaalsContact O-CB 3.27Å; L372-L381 WeakPolarHBondContact O-CB 3.36Å |
| 382 | S | 33.9 | Very low | 29.9 | Very low | 53 Ų | 53 | 114 Ų | 114 | 37% | 0.371 | 64% | 0.644 | S | S | . | * | | | trans | -172.7 | 35.7 | -157.3 | 170.9 | 0 | 0 | 0 | 0 | 114.1 | S369 | S369-S382 VanDerWaalsContact O-CA 3.27Å; S369-S382 WeakPolarHBondContact O-CA 3.4Å; S369-S382 WeakPolarHBondContact O-CB 3.34Å; S369-S382 PolarHBondContact O-OG 3.34Å |
| 383 | D | 26.2 | Very low | 29.6 | Very low | 121 Ų | 121 | 113.9 Ų | 113.9 | 65% | 0.647 | 66% | 0.656 | S | S | * | * | S | Bend | trans | -155.7 | -175.3 | -176.2 | -129 | -39.6 | 0 | 0 | 0 | 114.3 | | |
| 384 | Y | 31.2 | Very low | 29.4 | Very low | 209 Ų | 209 | 117.3 Ų | 117.3 | 82% | 0.82 | 67% | 0.67 | S | S | * | * | S | Bend | trans | -31.6 | 141 | 178.8 | -90.4 | -108.2 | 0 | 0 | 0 | 118.5 | | |
| 385 | S | 34.9 | Very low | 29.3 | Very low | 112 Ų | 112 | 115.2 Ų | 115.2 | 78% | 0.783 | 67% | 0.668 | S | S | * | * | S | Bend | trans | 65.5 | 109.2 | 167.9 | 69.3 | 0 | 0 | 0 | 0 | 118.2 | | |
| 386 | V | 30.3 | Very low | 29.3 | Very low | 136 Ų | 136 | 116.9 Ų | 116.9 | 82% | 0.824 | 67% | 0.67 | S | S | * | * | S | Bend | cis | -137.4 | 104.7 | -15.7 | 176.1 | 0 | 0 | 0 | 0 | 107.6 | | |
| 387 | S | 28 | Very low | 29.5 | Very low | 123 Ų | 123 | 119.1 Ų | 119.1 | 86% | 0.86 | 67% | 0.672 | S | S | * | * | | | trans | 57.8 | 141.8 | 174.3 | -71.4 | 0 | 0 | 0 | 0 | 118.7 | | |
| 388 | S | 26.1 | Very low | 29.8 | Very low | 81 Ų | 81 | 118.8 Ų | 118.8 | 57% | 0.566 | 67% | 0.67 | S | S | * | * | | | trans | -143.9 | 121.7 | -151.9 | 41.3 | 0 | 0 | 0 | 0 | 116.9 | | |
| 389 | K | 26.6 | Very low | 30 | Very low | 95 Ų | 95 | 123.7 Ų | 123.7 | 41% | 0.413 | 68% | 0.676 | S | S | . | * | | | trans | 51.3 | 111 | 132.7 | -62.5 | 172 | 80.9 | -71.2 | 0 | 121.2 | T371 | T371-K389 VanDerWaalsContact CB-NZ 3.28Å; T371-K389 WeakPolarHBondContact O-CE 3.36Å; T371-K389 PolarHBondContact O-NZ 3.1Å; T371-K389 WeakPolarHBondContact OG1-CD 3.27Å; T371-K389 WeakPolarHBondContact OG1-CE 3.46Å; T371-K389 PolarHBondContact OG1-NZ 3.29Å |
| 390 | Q | 30.7 | Very low | 30.5 | Very low | 126 Ų | 126 | 126.1 Ų | 126.1 | 59% | 0.589 | 69% | 0.692 | S | S | * | * | | | | 91.7 | 136.7 | 109.8 | -170 | 172.7 | 6.6 | 0 | 0 | 122 | | |
| 391 | Q | 30.5 | Very low | 30.3 | Very low | 169 Ų | 169 | 128.5 Ų | 128.5 | 79% | 0.79 | 71% | 0.705 | S | S | * | * | | | trans | 93.1 | 159.3 | 152.6 | -103.8 | 171.9 | -3.7 | 0 | 0 | 121.9 | | |
| 392 | I | 28.3 | Very low | 29.9 | Very low | 173 Ų | 173 | 133.3 Ų | 133.3 | 89% | 0.887 | 73% | 0.726 | S | S | * | * | | | trans | 82.4 | 156.7 | -175.6 | -55.7 | -178.3 | 0 | 0 | 0 | 114.2 | | |
| 393 | A | 26.9 | Very low | 29.5 | Very low | 84 Ų | 84 | 138.9 Ų | 138.9 | 69% | 0.694 | 75% | 0.746 | S | S | * | * | | | trans | -98.4 | -169.4 | -164.7 | 0 | 0 | 0 | 0 | 0 | 113.3 | | |
| 394 | D | 27.2 | Very low | 29.6 | Very low | 152 Ų | 152 | 143.7 Ų | 143.7 | 81% | 0.813 | 76% | 0.755 | S | S | * | * | | | trans | 77.3 | 125.1 | -177.1 | -62.8 | -24.2 | 0 | 0 | 0 | 117.8 | | |
| 395 | S | 25.3 | Very low | 29.3 | Very low | 106 Ų | 106 | 139.6 Ų | 139.6 | 74% | 0.741 | 75% | 0.746 | S | S | * | * | S | Bend | trans | 59.4 | 118.2 | 152.3 | -57.7 | 0 | 0 | 0 | 0 | 120.7 | | |
| 396 | I | 30.4 | Very low | 28.9 | Very low | 161 Ų | 161 | 142.4 Ų | 142.4 | 83% | 0.826 | 75% | 0.749 | S | S | * | * | S | Bend | trans | 68.4 | 101 | 154.3 | -60.3 | 176.1 | 0 | 0 | 0 | 114.3 | | |
| 397 | I | 34.8 | Very low | 28.9 | Very low | 154 Ų | 154 | 141.5 Ų | 141.5 | 79% | 0.79 | 74% | 0.743 | S | S | * | * | | | cis | -138.8 | 119.5 | 6.3 | -56 | -179.1 | 0 | 0 | 0 | 111.9 | | |
| 398 | S | 34.4 | Very low | 29.1 | Very low | 94 Ų | 94 | 146.2 Ų | 146.2 | 66% | 0.657 | 74% | 0.742 | S | S | * | * | | | trans | 17 | 101.6 | 148.6 | -177 | 0 | 0 | 0 | 0 | 121.8 | | |
| 399 | Y | 31.9 | Very low | 29.1 | Very low | 224 Ų | 224 | 149.6 Ų | 149.6 | 88% | 0.878 | 75% | 0.754 | S | S | * | * | | | trans | 69.2 | 153.2 | 134.5 | -75.2 | -85.8 | 0 | 0 | 0 | 123 | | |
| 400 | P | 35.8 | Very low | 29.5 | Very low | 102 Ų | 102 | 153.8 Ų | 153.8 | 66% | 0.662 | 78% | 0.775 | S | S | * | * | | | trans | -122.6 | -168.2 | -175 | 43.5 | -28.1 | 0 | 0 | 0 | 114.7 | | |
| 401 | N | 28.3 | Very low | 29.5 | Very low | 158 Ų | 158 | 153.5 Ų | 153.5 | 85% | 0.845 | 78% | 0.782 | S | S | * | * | | | trans | 121.5 | 149.6 | 146.6 | -77.6 | -8.5 | 0 | 0 | 0 | 119.1 | | |
| 402 | E | 26 | Very low | 29.7 | Very low | 167 Ų | 167 | 152.3 Ų | 152.3 | 78% | 0.78 | 78% | 0.78 | S | S | * | * | | | trans | -84.9 | 167.3 | -177.5 | -55.4 | 177.2 | 100.8 | 0 | 0 | 113.5 | | |
| 403 | Q | 26.6 | Very low | 29.9 | Very low | 169 Ų | 169 | 152.3 Ų | 152.3 | 79% | 0.79 | 78% | 0.777 | S | S | * | * | | | trans | 14.8 | 117.8 | 143.7 | -55.4 | 178.7 | 35.6 | 0 | 0 | 118.4 | | |
| 404 | R | 26.6 | Very low | 30 | Very low | 222 Ų | 222 | 157.6 Ų | 157.6 | 84% | 0.838 | 79% | 0.787 | S | S | * | * | | | | -174 | 123.4 | 108.1 | -101.8 | 179 | -179.7 | -155.1 | 0.9 | 114.5 | | |
| 405 | I | 25.7 | Very low | 30.2 | Very low | 123 Ų | 123 | 156.7 Ų | 156.7 | 63% | 0.631 | 79% | 0.787 | S | S | * | * | | | trans | 69.9 | 137 | 133.2 | -65.6 | 169.8 | 0 | 0 | 0 | 119 | | |
| 406 | M | 26.2 | Very low | 30.3 | Very low | 172 Ų | 172 | 157 Ų | 157 | 85% | 0.847 | 79% | 0.789 | S | S | * | * | | | trans | 71 | 126.8 | 169.8 | -75.5 | 164.2 | -162.9 | 0 | 0 | 115.8 | | |
| 407 | T | 30.3 | Very low | 30.3 | Very low | 116 Ų | 116 | 158 Ų | 158 | 71% | 0.712 | 79% | 0.79 | S | S | * | * | | | cis | -151.5 | 154.5 | 11.5 | -32.8 | 0 | 0 | 0 | 0 | 113.9 | | |
| 408 | R | 32.1 | Very low | 30.1 | Very low | 223 Ų | 223 | 157.1 Ų | 157.1 | 84% | 0.842 | 79% | 0.786 | S | S | * | * | | | trans | 82 | 91.3 | 149.7 | -110.8 | 177.1 | -176.6 | 89.2 | 2.9 | 119.9 | | |
| 409 | N | 25.9 | Very low | 29.9 | Very low | 151 Ų | 151 | 159.2 Ų | 159.2 | 81% | 0.807 | 79% | 0.79 | S | S | * | * | | | trans | -38.3 | 142.2 | 150.5 | -37.3 | -16.2 | 0 | 0 | 0 | 114.2 | | |
| 410 | Q | 34.8 | Very low | 29.8 | Very low | 183 Ų | 183 | 156 Ų | 156 | 86% | 0.855 | 78% | 0.784 | S | S | * | * | | | trans | 161.2 | 137.9 | 139.6 | -94.6 | 171.3 | -10.9 | 0 | 0 | 109.2 | | |
| 411 | T | 31.6 | Very low | 29.5 | Very low | 120 Ų | 120 | 159.9 Ų | 159.9 | 74% | 0.736 | 79% | 0.786 | S | S | * | * | | | cis | -164.4 | 171.5 | -19.4 | -2.4 | 0 | 0 | 0 | 0 | 107.9 | | |
| 412 | L | 34.8 | Very low | 29.8 | Very low | 144 Ų | 144 | 160 Ų | 160 | 75% | 0.754 | 78% | 0.781 | S | S | * | * | | | trans | 73 | 110.3 | 179.7 | -48.8 | 174.9 | 0 | 0 | 0 | 112.7 | | |
| 413 | Q | 31.9 | Very low | 30.1 | Very low | 174 Ų | 174 | 159.1 Ų | 159.1 | 81% | 0.813 | 78% | 0.782 | S | S | * | * | | | | 79.2 | 91.7 | 68.5 | -77.2 | -173 | -58 | 0 | 0 | 113.8 | | |
| 414 | E | 28.7 | Very low | 30.2 | Very low | 195 Ų | 195 | 159.8 Ų | 159.8 | 91% | 0.911 | 78% | 0.783 | S | S | * | * | | | | -160.1 | 139.4 | 115.4 | -109 | 171.6 | -160.3 | 0 | 0 | 109.4 | | |
| 415 | T | 32.3 | Very low | 30.4 | Very low | 133 Ų | 133 | 154.1 Ų | 154.1 | 82% | 0.816 | 77% | 0.769 | S | S | * | * | | | trans | -139.4 | 93.2 | 179.9 | 52.5 | 0 | 0 | 0 | 0 | 111.1 | | |
| 416 | S | 27.1 | Very low | 30.7 | Very low | 111 Ų | 111 | 155.7 Ų | 155.7 | 78% | 0.776 | 77% | 0.771 | S | S | * | * | | | trans | 12.9 | 130.4 | 138.4 | 58.4 | 0 | 0 | 0 | 0 | 119.1 | | |
| 417 | Q | 31.6 | Very low | 30.9 | Very low | 182 Ų | 182 | 153.9 Ų | 153.9 | 85% | 0.85 | 76% | 0.763 | S | S | * | * | | | | -159 | 146.5 | 121.9 | -120.9 | 173.2 | 11.8 | 0 | 0 | 114.8 | | |
| 418 | L | 30 | Very low | 30.9 | Very low | 136 Ų | 136 | 158.2 Ų | 158.2 | 71% | 0.712 | 77% | 0.768 | S | S | * | * | | | trans | 90.4 | 115.9 | 163.3 | -62.6 | 162.8 | 0 | 0 | 0 | 119.2 | | |
| 419 | D | 30.2 | Very low | 31 | Very low | 139 Ų | 139 | 152.7 Ų | 152.7 | 74% | 0.743 | 76% | 0.764 | S | S | * | * | | | trans | 62.6 | 133.6 | 147.6 | -42.7 | -27.1 | 0 | 0 | 0 | 119 | | |
| 420 | E | 29.8 | Very low | 31.2 | Very low | 157 Ų | 157 | 153 Ų | 153 | 73% | 0.734 | 77% | 0.765 | S | S | * | * | | | cis | -155.3 | 158.1 | 3.6 | -137.2 | -175.6 | -175.1 | 0 | 0 | 112 | | |
| 421 | Y | 30.1 | Very low | 31.1 | Very low | 183 Ų | 183 | 150.3 Ų | 150.3 | 72% | 0.718 | 76% | 0.763 | S | S | * | * | | | trans | 59.4 | 131.4 | 163.7 | -76.8 | -74 | 0 | 0 | 0 | 124.8 | | |
| 422 | H | 33.9 | Very low | 31 | Very low | 160 Ų | 160 | 149.6 Ų | 149.6 | 74% | 0.741 | 76% | 0.763 | S | S | * | * | | | trans | 64.6 | 96 | 150.6 | -78.4 | -60.4 | 0 | 0 | 0 | 123.9 | | |
| 423 | N | 31.8 | Very low | 30.8 | Very low | 149 Ų | 149 | 149.6 Ų | 149.6 | 80% | 0.797 | 77% | 0.769 | S | S | * | * | | | | 43.4 | 128.7 | 121.7 | -94 | 7.3 | 0 | 0 | 0 | 124 | | |
| 424 | F | 27.9 | Very low | 30.5 | Very low | 183 Ų | 183 | 147.3 Ų | 147.3 | 80% | 0.803 | 77% | 0.771 | S | S | * | * | | | trans | -45.6 | 167 | 147.7 | -60.4 | -96.8 | 0 | 0 | 0 | 114.3 | | |
| 425 | D | 31 | Very low | 30.5 | Very low | 103 Ų | 103 | 145.6 Ų | 145.6 | 55% | 0.551 | 77% | 0.766 | S | S | * | * | | | cis | -160 | 163.9 | 22.2 | -145.7 | -17 | 0 | 0 | 0 | 114.3 | | |
| 426 | K | 33.1 | Very low | 30.3 | Very low | 155 Ų | 155 | 147.3 Ų | 147.3 | 67% | 0.674 | 77% | 0.765 | S | S | * | * | | | trans | 35.5 | 124.8 | 162.1 | -70.8 | 137.5 | -163.2 | 156.5 | 0 | 121.1 | | |
| 427 | I | 29.6 | Very low | 30.2 | Very low | 134 Ų | 134 | 146.9 Ų | 146.9 | 69% | 0.687 | 76% | 0.762 | S | S | * | * | | | | 64.9 | 119.6 | 57.3 | -58.6 | 170 | 0 | 0 | 0 | 111.9 | | |
| 428 | Y | 30.7 | Very low | 30.2 | Very low | 207 Ų | 207 | 148.5 Ų | 148.5 | 81% | 0.812 | 77% | 0.766 | S | S | * | * | | | cis | -133.6 | 163.1 | -2.3 | -88.9 | -58.4 | 0 | 0 | 0 | 107.6 | | |
| 429 | S | 33.6 | Very low | 30 | Very low | 107 Ų | 107 | 148 Ų | 148 | 75% | 0.748 | 77% | 0.769 | S | S | * | * | | | cis | -161.8 | 126.4 | 45.1 | 39.1 | 0 | 0 | 0 | 0 | 115.3 | | |
| 430 | L | 31.2 | Very low | 29.9 | Very low | 158 Ų | 158 | 148 Ų | 148 | 83% | 0.827 | 77% | 0.769 | S | S | * | * | | | trans | 53.5 | 106.8 | 136.5 | -67.3 | 163.8 | 0 | 0 | 0 | 121.7 | | |
| 431 | P | 32.8 | Very low | 29.8 | Very low | 127 Ų | 127 | 147.7 Ų | 147.7 | 83% | 0.825 | 77% | 0.77 | S | S | * | * | | | trans | -107.4 | -170.7 | 174.8 | 42.5 | -35.4 | 0 | 0 | 0 | 114.5 | | |
| 432 | S | 28.4 | Very low | 29.8 | Very low | 105 Ų | 105 | 143.1 Ų | 143.1 | 73% | 0.734 | 77% | 0.765 | S | S | * | * | | | trans | -97.5 | 154.5 | -176.5 | -60.6 | 0 | 0 | 0 | 0 | 115.4 | | |
| 433 | T | 31.9 | Very low | 29.6 | Very low | 143 Ų | 143 | 142.3 Ų | 142.3 | 88% | 0.877 | 77% | 0.767 | S | S | * | * | | | trans | 67.3 | 122.8 | 154.4 | 46.3 | 0 | 0 | 0 | 0 | 121.3 | | |
| 434 | C | 24.2 | Very low | 29.6 | Very low | 126 Ų | 126 | 141.9 Ų | 141.9 | 85% | 0.851 | 76% | 0.764 | S | S | * | * | | | trans | -64.4 | 152 | -175.5 | -44.7 | 0 | 0 | 0 | 0 | 117.6 | | |
| 435 | I | 29.4 | Very low | 29.9 | Very low | 159 Ų | 159 | 139.2 Ų | 139.2 | 82% | 0.815 | 76% | 0.758 | S | S | * | * | | | trans | -139.8 | 122.8 | 149.8 | -77.5 | -166.6 | 0 | 0 | 0 | 111.2 | | |
| 436 | H | 28.5 | Very low | 29.8 | Very low | 169 Ų | 169 | 140.4 Ų | 140.4 | 78% | 0.782 | 76% | 0.764 | S | S | * | * | | | trans | 61.3 | 115.7 | 153.3 | -76.2 | 69.3 | 0 | 0 | 0 | 124.9 | | |
| 437 | S | 25.3 | Very low | 29.7 | Very low | 103 Ų | 103 | 139.2 Ų | 139.2 | 72% | 0.72 | 77% | 0.77 | S | S | * | * | | | trans | 54.8 | 114.1 | 132.6 | 66.4 | 0 | 0 | 0 | 0 | 122.7 | | |
| 438 | K | 30.2 | Very low | 29.6 | Very low | 216 Ų | 216 | 137.6 Ų | 137.6 | 94% | 0.939 | 77% | 0.77 | S | S | * | * | | | trans | -137.4 | 142.1 | 133.9 | -97.4 | -177.7 | 179.5 | 175.3 | 0 | 110.3 | | |
| 439 | T | 27.1 | Very low | 29.7 | Very low | 124 Ų | 124 | 132.6 Ų | 132.6 | 76% | 0.761 | 77% | 0.765 | S | S | * | * | | | trans | -103.6 | 127.7 | 177.2 | 47.4 | 0 | 0 | 0 | 0 | 111.1 | | |
| 440 | N | 27.8 | Very low | 29.5 | Very low | 140 Ų | 140 | 135 Ų | 135 | 75% | 0.749 | 76% | 0.764 | S | S | * | * | | | trans | 163.2 | 128.1 | 149 | -83.8 | -12.9 | 0 | 0 | 0 | 107 | | |
| 441 | I | 27.8 | Very low | 29.3 | Very low | 150 Ų | 150 | 136.9 Ų | 136.9 | 77% | 0.769 | 77% | 0.766 | S | S | * | * | | | | 61.7 | 110.9 | 61.6 | -57.1 | 172.9 | 0 | 0 | 0 | 108.4 | | |
| 442 | S | 29.8 | Very low | 29.2 | Very low | 87 Ų | 87 | 136.6 Ų | 136.6 | 61% | 0.608 | 76% | 0.758 | S | S | * | * | | | cis | -166.4 | 172.4 | 14.7 | 49.3 | 0 | 0 | 0 | 0 | 112.2 | | |
| 443 | N | 29.8 | Very low | 29.2 | Very low | 144 Ų | 144 | 138.2 Ų | 138.2 | 77% | 0.77 | 76% | 0.758 | S | S | * | * | | | trans | 71.4 | 134 | 155.9 | -60.3 | -16.1 | 0 | 0 | 0 | 117.1 | | |
| 444 | L | 32.3 | Very low | 29 | Very low | 140 Ų | 140 | 138.2 Ų | 138.2 | 73% | 0.733 | 75% | 0.753 | S | S | * | * | | | cis | -128.3 | -173.1 | -9.7 | -57 | 88.6 | 0 | 0 | 0 | 107.7 | | |
| 445 | N | 32.5 | Very low | 29.1 | Very low | 127 Ų | 127 | 137 Ų | 137 | 68% | 0.679 | 74% | 0.744 | S | S | * | * | | | cis | -140.8 | 155.3 | 10 | -101.1 | -40.2 | 0 | 0 | 0 | 107.1 | | |
| 446 | N | 30.1 | Very low | 29.3 | Very low | 127 Ų | 127 | 138.1 Ų | 138.1 | 68% | 0.679 | 74% | 0.743 | S | S | * | * | | | | 63 | 127.3 | 61.4 | -61.4 | -21.9 | 0 | 0 | 0 | 114.5 | | |
| 447 | V | 31.6 | Very low | 29.3 | Very low | 131 Ų | 131 | 136.2 Ų | 136.2 | 79% | 0.794 | 75% | 0.746 | S | S | * | * | | | cis | -152.4 | 168.4 | -6.2 | 100.1 | 0 | 0 | 0 | 0 | 112.1 | | |
| 448 | S | 26.7 | Very low | 29.5 | Very low | 99 Ų | 99 | 140 Ų | 140 | 69% | 0.692 | 75% | 0.749 | S | S | * | * | | | trans | -83.1 | 151 | -175.9 | 52.3 | 0 | 0 | 0 | 0 | 116.1 | | |
| 449 | S | 32.2 | Very low | 29.4 | Very low | 102 Ų | 102 | 134.9 Ų | 134.9 | 71% | 0.713 | 73% | 0.733 | S | S | * | * | | | trans | -168.1 | 108 | 131.7 | 52.3 | 0 | 0 | 0 | 0 | 108.9 | | |
| 450 | E | 29 | Very low | 29.4 | Very low | 157 Ų | 157 | 138 Ų | 138 | 73% | 0.734 | 73% | 0.732 | S | S | * | * | | | | 73 | 113 | 94.3 | -72.5 | -174.8 | 140.8 | 0 | 0 | 115.2 | | |
| 451 | F | 28.8 | Very low | 29.3 | Very low | 198 Ų | 198 | 139.1 Ų | 139.1 | 87% | 0.868 | 73% | 0.732 | S | S | * | * | | | | -158.1 | 158.1 | 95.8 | -123.7 | -91.4 | 0 | 0 | 0 | 112 | | |
| 452 | N | 30.9 | Very low | 29.2 | Very low | 121 Ų | 121 | 137.6 Ų | 137.6 | 65% | 0.647 | 73% | 0.73 | S | S | * | * | | | trans | -102.3 | 155.8 | -166.8 | -63.4 | -35.3 | 0 | 0 | 0 | 114.5 | | |
| 453 | D | 28.2 | Very low | 29.1 | Very low | 139 Ų | 139 | 139.6 Ų | 139.6 | 74% | 0.743 | 73% | 0.734 | S | S | * | * | | | trans | 60.9 | 134.6 | 136.3 | -76.2 | -36.9 | 0 | 0 | 0 | 124.6 | | |
| 454 | L | 26.3 | Very low | 29 | Very low | 144 Ų | 144 | 138.5 Ų | 138.5 | 75% | 0.754 | 73% | 0.728 | S | S | * | * | | | trans | 68.2 | 95 | 137.4 | -64.9 | 169.4 | 0 | 0 | 0 | 121.5 | | |
| 455 | C | 26.9 | Very low | 28.9 | Very low | 101 Ų | 101 | 137.1 Ų | 137.1 | 68% | 0.682 | 72% | 0.722 | S | S | * | * | | | | 92.5 | 125.7 | 116.2 | -84.4 | 0 | 0 | 0 | 0 | 122.7 | | |
| 456 | K | 33 | Very low | 28.8 | Very low | 182 Ų | 182 | 140.4 Ų | 140.4 | 79% | 0.791 | 73% | 0.726 | S | S | * | * | | | trans | 74.6 | 156 | 157.5 | -56.7 | 175 | -176.6 | 177.3 | 0 | 114.8 | | |
| 457 | P | 29.4 | Very low | 28.9 | Very low | 129 Ų | 129 | 141.9 Ų | 141.9 | 84% | 0.838 | 73% | 0.728 | S | S | * | * | | | | -120.4 | 169.3 | 75.6 | 38.8 | -35.1 | 0 | 0 | 0 | 114.6 | | |
| 458 | F | 28.6 | Very low | 28.7 | Very low | 181 Ų | 181 | 141.9 Ų | 141.9 | 79% | 0.794 | 72% | 0.723 | S | S | * | * | | | trans | -138.2 | 115.8 | 165.3 | -129.1 | -63.7 | 0 | 0 | 0 | 109.5 | | |
| 459 | N | 29.1 | Very low | 29 | Very low | 110 Ų | 110 | 142.8 Ų | 142.8 | 59% | 0.588 | 73% | 0.725 | S | S | * | * | | | trans | 68.3 | 136.6 | 151 | -87.8 | -5.7 | 0 | 0 | 0 | 125.5 | | |
| 460 | Y | 25.7 | Very low | 28.8 | Very low | 188 Ų | 188 | 144 Ų | 144 | 74% | 0.737 | 72% | 0.723 | S | S | * | * | | | trans | 91.8 | 147.6 | 135.1 | -76.3 | -46.3 | 0 | 0 | 0 | 124.4 | | |
| 461 | H | 26.3 | Very low | 28.9 | Very low | 164 Ų | 164 | 143.4 Ų | 143.4 | 76% | 0.759 | 72% | 0.72 | S | S | * | * | | | trans | 73.1 | 156.7 | 158.5 | -68.8 | -36.6 | 0 | 0 | 0 | 117.5 | | |
| 462 | T | 26.1 | Very low | 29 | Very low | 118 Ų | 118 | 140 Ų | 140 | 72% | 0.724 | 71% | 0.711 | S | S | * | * | | | cis | -168 | 158.3 | -3.6 | 20.7 | 0 | 0 | 0 | 0 | 108.3 | | |
| 463 | N | 27 | Very low | 29.3 | Very low | 129 Ų | 129 | 140.8 Ų | 140.8 | 69% | 0.69 | 72% | 0.72 | S | S | * | * | | | cis | -172.7 | 174.9 | -19.7 | -154.3 | 3.3 | 0 | 0 | 0 | 110 | | |
| 464 | N | 28.5 | Very low | 29.4 | Very low | 121 Ų | 121 | 142.1 Ų | 142.1 | 65% | 0.647 | 73% | 0.728 | S | S | * | * | | | trans | 66.6 | 159.7 | 158.6 | -61.4 | -12.2 | 0 | 0 | 0 | 116.9 | | |
| 465 | N | 29.7 | Very low | 29.7 | Very low | 112 Ų | 112 | 138.8 Ų | 138.8 | 60% | 0.599 | 73% | 0.728 | S | S | * | * | | | cis | -158.5 | 170.3 | -9.9 | -110.4 | -1 | 0 | 0 | 0 | 106.2 | | |
| 466 | Y | 30.9 | Very low | 30.1 | Very low | 195 Ų | 195 | 143.7 Ų | 143.7 | 77% | 0.765 | 74% | 0.738 | S | S | * | * | | | cis | -130.3 | -159.5 | 11.7 | -62.7 | -92.1 | 0 | 0 | 0 | 108 | | |
| 467 | H | 31.9 | Very low | 29.9 | Very low | 158 Ų | 158 | 145 Ų | 145 | 73% | 0.731 | 74% | 0.744 | S | S | * | * | | | cis | -138 | 128 | 3.3 | -127.8 | -105.8 | 0 | 0 | 0 | 105.8 | | |
| 468 | L | 27.9 | Very low | 30.2 | Very low | 132 Ų | 132 | 145 Ų | 145 | 69% | 0.691 | 74% | 0.742 | S | S | * | * | | | | 62.4 | 130.9 | 92.5 | -87.4 | 172.1 | 0 | 0 | 0 | 117.8 | | |
| 469 | T | 31.9 | Very low | 30.3 | Very low | 117 Ų | 117 | 147.8 Ų | 147.8 | 72% | 0.718 | 75% | 0.747 | S | S | * | * | | | trans | 77.3 | 110.6 | 160.3 | 51.9 | 0 | 0 | 0 | 0 | 122.4 | | |
| 470 | N | 27.8 | Very low | 30.4 | Very low | 129 Ų | 129 | 150.7 Ų | 150.7 | 69% | 0.69 | 76% | 0.757 | S | S | * | * | | | | 72.2 | 124.2 | 128.9 | -71.9 | 39.8 | 0 | 0 | 0 | 124.5 | | |
| 471 | E | 32.2 | Very low | 30.5 | Very low | 144 Ų | 144 | 148.5 Ų | 148.5 | 67% | 0.673 | 76% | 0.757 | S | S | * | * | | | | 85.9 | 133.6 | 129.8 | -76.5 | 177.2 | -116.5 | 0 | 0 | 122.9 | | |
| 472 | N | 30.4 | Very low | 30.9 | Very low | 127 Ų | 127 | 150.3 Ų | 150.3 | 68% | 0.679 | 76% | 0.763 | S | S | * | * | | | trans | 47.4 | 114.9 | 140.5 | -55.7 | -34.1 | 0 | 0 | 0 | 117.6 | | |
| 473 | T | 37.7 | Very low | 31.3 | Very low | 136 Ų | 136 | 153.4 Ų | 153.4 | 83% | 0.834 | 77% | 0.766 | S | S | * | * | | | | -164 | 173.7 | 58.4 | 40.6 | 0 | 0 | 0 | 0 | 115.2 | | |
| 474 | N | 30.8 | Very low | 31.2 | Very low | 167 Ų | 167 | 154 Ų | 154 | 89% | 0.893 | 77% | 0.77 | S | S | * | * | | | trans | -52.8 | 143 | -179.3 | -59 | -66.7 | 0 | 0 | 0 | 116.9 | | |
| 475 | G | 32.9 | Very low | 31.4 | Very low | 75 Ų | 75 | 157.8 Ų | 157.8 | 77% | 0.773 | 78% | 0.781 | S | S | * | * | | | trans | -174.8 | 47.5 | 172.8 | 0 | 0 | 0 | 0 | 0 | 115.9 | F477 | G475-F477 PolarHBondContact O-N 3.41Å; G475-F477 VanDerWaalsContact O-N 3.12Å |
| 476 | K | 35 | Very low | 31.4 | Very low | 203 Ų | 203 | 164.3 Ų | 164.3 | 88% | 0.883 | 80% | 0.797 | S | S | * | * | | | trans | -69.7 | 106.8 | -173.9 | -75.3 | -176.4 | 178.5 | 175.4 | 0 | 113.7 | | |
| 477 | F | 29.2 | Very low | 31.3 | Very low | 211 Ų | 211 | 159.6 Ų | 159.6 | 93% | 0.925 | 79% | 0.792 | S | S | * | * | | | trans | -110.9 | 116.9 | 150.9 | -109.2 | -86.6 | 0 | 0 | 0 | 109.6 | G475 | G475-F477 PolarHBondContact O-N 3.41Å; G475-F477 VanDerWaalsContact O-N 3.12Å |
| 478 | T | 35.7 | Very low | 31.1 | Very low | 128 Ų | 128 | 158.8 Ų | 158.8 | 79% | 0.785 | 79% | 0.793 | S | S | * | * | | | trans | -154.8 | 116 | 172.7 | -7.6 | 0 | 0 | 0 | 0 | 110.5 | | |
| 479 | R | 29.4 | Very low | 31.4 | Very low | 240 Ų | 240 | 161.4 Ų | 161.4 | 91% | 0.906 | 80% | 0.802 | S | S | * | * | | | trans | -73.3 | 129.7 | 162.2 | -74 | 174.3 | 168 | 170.2 | -4.6 | 108 | | |
| 480 | Q | 31.8 | Very low | 31.4 | Very low | 170 Ų | 170 | 160.3 Ų | 160.3 | 79% | 0.794 | 80% | 0.799 | S | S | * | * | | | | 178.4 | 141.6 | 118.1 | -97.4 | -173.2 | 53.1 | 0 | 0 | 114.2 | | |
| 481 | L | 27.2 | Very low | 31.5 | Very low | 142 Ų | 142 | 159.3 Ų | 159.3 | 74% | 0.743 | 80% | 0.802 | S | S | * | * | | | trans | 47.4 | 118.7 | 145.8 | -59 | 174.9 | 0 | 0 | 0 | 121.4 | | |
| 482 | K | 34.2 | Very low | 31.5 | Very low | 202 Ų | 202 | 164 Ų | 164 | 88% | 0.878 | 81% | 0.813 | S | S | * | * | | | | -161.9 | 109.6 | 123 | -110.7 | 161 | -172.2 | 172.5 | 0 | 115.5 | | |
| 483 | K | 34.5 | Very low | 31.7 | Very low | 183 Ų | 183 | 168.5 Ų | 168.5 | 80% | 0.796 | 82% | 0.821 | S | S | * | * | | | trans | 38.3 | 117.7 | 137.7 | -64.9 | -174.6 | 176.9 | -177 | 0 | 121.7 | | |
| 484 | N | 26.4 | Very low | 31.2 | Very low | 143 Ų | 143 | 171.4 Ų | 171.4 | 77% | 0.765 | 83% | 0.827 | S | S | * | * | | | | 86.1 | 146.8 | 123.8 | -65.4 | 5.3 | 0 | 0 | 0 | 122.5 | | |
| 485 | K | 31.4 | Very low | 31.4 | Very low | 200 Ų | 200 | 168.2 Ų | 168.2 | 87% | 0.87 | 81% | 0.814 | S | S | * | * | | | trans | 65.8 | 103.7 | 164.4 | -66.9 | -178.2 | 179.3 | -178.1 | 0 | 117.8 | | |
| 486 | R | 30.9 | Very low | 31.5 | Very low | 249 Ų | 249 | 173.8 Ų | 173.8 | 94% | 0.94 | 82% | 0.817 | S | S | * | * | | | | -164.7 | 146.2 | 96.5 | -105.4 | 169.4 | 176.5 | 153.4 | -1.2 | 112.5 | | |
| 487 | S | 27.9 | Very low | 31.3 | Very low | 95 Ų | 95 | 172 Ų | 172 | 66% | 0.664 | 82% | 0.816 | S | S | * | * | | | trans | -88.2 | 177.8 | 160.8 | 62.6 | 0 | 0 | 0 | 0 | 110.1 | | |
| 488 | N | 28.7 | Very low | 31.3 | Very low | 141 Ų | 141 | 171.4 Ų | 171.4 | 75% | 0.754 | 82% | 0.816 | S | S | * | * | | | trans | 70.6 | 104.4 | 171.7 | -49.5 | 9.9 | 0 | 0 | 0 | 114.9 | | |
| 489 | H | 33.4 | Very low | 31.2 | Very low | 188 Ų | 188 | 168.6 Ų | 168.6 | 87% | 0.87 | 81% | 0.812 | S | S | * | * | | | | -153.1 | 132.4 | 116 | -123.8 | -73.1 | 0 | 0 | 0 | 112.3 | | |
| 490 | S | 33 | Very low | 31.3 | Very low | 94 Ų | 94 | 165.7 Ų | 165.7 | 66% | 0.657 | 81% | 0.814 | S | S | * | * | | | trans | -88.5 | 150.1 | 162.5 | 50.8 | 0 | 0 | 0 | 0 | 110.5 | | |
| 491 | S | 30 | Very low | 31.5 | Very low | 108 Ų | 108 | 166.2 Ų | 166.2 | 76% | 0.755 | 81% | 0.814 | S | S | * | * | | | trans | 51.5 | 99.7 | 145.1 | -62.6 | 0 | 0 | 0 | 0 | 120 | | |
| 492 | R | 32.2 | Very low | 31.7 | Very low | 242 Ų | 242 | 168.6 Ų | 168.6 | 91% | 0.913 | 82% | 0.818 | S | S | * | * | | | | 151.6 | 130.3 | 111.8 | -84.7 | 168.2 | 176.5 | 179.8 | -0.9 | 113.1 | | |
| 493 | R | 32.6 | Very low | 31.5 | Very low | 222 Ų | 222 | 166.9 Ų | 166.9 | 84% | 0.838 | 82% | 0.815 | S | S | * | * | | | | -169.8 | 110.8 | 108.4 | -109.6 | 173 | 167.2 | 168.3 | -2.9 | 113.3 | T495 | R493-T495 HydrophobicContact CB-CG2 4.04Å; R493-T495 VanDerWaalsContact CD-CG2 3.46Å; R493-T495 HydrophobicContact CG-CG2 3.65Å |
| 494 | M | 28.9 | Very low | 31.4 | Very low | 196 Ų | 196 | 166.9 Ų | 166.9 | 97% | 0.966 | 82% | 0.815 | S | S | * | * | | | trans | -82 | 142 | 130.6 | -91.9 | -81.1 | -100.7 | 0 | 0 | 106.9 | | |
| 495 | T | 34.7 | Very low | 31.6 | Very low | 100 Ų | 100 | 169.7 Ų | 169.7 | 61% | 0.613 | 82% | 0.816 | S | S | * | * | | | trans | -125.4 | 123.9 | 179.1 | 44.9 | 0 | 0 | 0 | 0 | 111.3 | R493 | R493-T495 HydrophobicContact CB-CG2 4.04Å; R493-T495 VanDerWaalsContact CD-CG2 3.46Å; R493-T495 HydrophobicContact CG-CG2 3.65Å |
| 496 | K | 35.3 | Very low | 31.6 | Very low | 193 Ų | 193 | 164.7 Ų | 164.7 | 84% | 0.839 | 81% | 0.806 | S | S | * | * | | | trans | -151.2 | 136.6 | 148 | -129.3 | 177.6 | -178.6 | 179.9 | 0 | 110.6 | | |
| 497 | L | 30.7 | Very low | 31.3 | Very low | 164 Ų | 164 | 157.9 Ų | 157.9 | 86% | 0.859 | 80% | 0.797 | S | S | * | * | | | trans | 57 | 90 | 161.2 | -66.6 | 149.7 | 0 | 0 | 0 | 117.2 | | |
| 498 | E | 28.8 | Very low | 31.4 | Very low | 200 Ų | 200 | 161.3 Ų | 161.3 | 94% | 0.935 | 81% | 0.808 | S | S | * | * | | | trans | -122.6 | 140.1 | 136.5 | -164 | -173.4 | -104.5 | 0 | 0 | 106.5 | | |
| 499 | G | 32.8 | Very low | 31.3 | Very low | 68 Ų | 68 | 161.7 Ų | 161.7 | 70% | 0.701 | 81% | 0.81 | S | S | * | * | | | trans | 178.4 | 66.6 | -170.3 | 0 | 0 | 0 | 0 | 0 | 117.3 | | |
| 500 | L | 33.1 | Very low | 31.1 | Very low | 179 Ų | 179 | 161.2 Ų | 161.2 | 94% | 0.937 | 81% | 0.808 | S | S | * | * | | | | -173.5 | 164.9 | 124.8 | -100.4 | 167.2 | 0 | 0 | 0 | 111.5 | | |
| 501 | K | 34.2 | Very low | 30.7 | Very low | 182 Ų | 182 | 165.3 Ų | 165.3 | 79% | 0.791 | 81% | 0.814 | S | S | * | * | | | trans | -160.5 | 150.3 | -166 | -160.4 | 169.9 | -171 | 167.3 | 0 | 111.1 | | |
| 502 | K | 33 | Very low | 30.8 | Very low | 191 Ų | 191 | 168.7 Ų | 168.7 | 83% | 0.83 | 82% | 0.818 | S | S | * | * | | | trans | 76.2 | 154.1 | -177.9 | -43.2 | 167.9 | -178 | 176.9 | 0 | 112.7 | | |
| 503 | M | 29.7 | Very low | 30.7 | Very low | 167 Ų | 167 | 164.5 Ų | 164.5 | 82% | 0.823 | 81% | 0.808 | S | S | * | * | | | cis | -124.3 | 151 | 6.3 | -65.7 | -178 | -157.6 | 0 | 0 | 109.8 | | |
| 504 | K | 31.4 | Very low | 30.3 | Very low | 182 Ų | 182 | 161.3 Ų | 161.3 | 79% | 0.791 | 80% | 0.803 | S | S | * | * | | | | 42 | 132.7 | 82.7 | -70.4 | -167.7 | 172.9 | -165.6 | 0 | 113.7 | | |
| 505 | Y | 31.5 | Very low | 30.3 | Very low | 203 Ų | 203 | 159.7 Ų | 159.7 | 80% | 0.796 | 79% | 0.793 | S | S | * | * | | | cis | -125.4 | 152.2 | 32.3 | -88.5 | -94.2 | 0 | 0 | 0 | 114.3 | | |
| 506 | S | 30 | Very low | 30.1 | Very low | 94 Ų | 94 | 161.5 Ų | 161.5 | 66% | 0.657 | 79% | 0.794 | S | S | * | * | | | | 41.8 | 113.7 | 106.4 | -69.3 | 0 | 0 | 0 | 0 | 115 | | |
| 507 | S | 26.5 | Very low | 29.9 | Very low | 107 Ų | 107 | 160.4 Ų | 160.4 | 75% | 0.748 | 79% | 0.792 | S | S | * | * | | | | 79.9 | 115 | 72.3 | -61.5 | 0 | 0 | 0 | 0 | 112.5 | | |
| 508 | D | 29.7 | Very low | 30.1 | Very low | 167 Ų | 167 | 161.2 Ų | 161.2 | 89% | 0.893 | 79% | 0.791 | S | S | * | * | | | trans | -151.4 | 155.9 | 130.3 | -105 | -34.3 | 0 | 0 | 0 | 111.1 | | |
| 509 | N | 26.1 | Very low | 30.2 | Very low | 149 Ų | 149 | 155.7 Ų | 155.7 | 80% | 0.797 | 77% | 0.774 | S | S | * | * | | | trans | -119.5 | 178.2 | -179.1 | -84.6 | -46.7 | 0 | 0 | 0 | 109.8 | | |
| 510 | Q | 28.7 | Very low | 30.1 | Very low | 177 Ų | 177 | 160.1 Ų | 160.1 | 83% | 0.827 | 78% | 0.781 | S | S | * | * | | | trans | 94.4 | 127.8 | 176.3 | -53.1 | 168.6 | 14.5 | 0 | 0 | 112.6 | | |
| 511 | F | 25.4 | Very low | 29.7 | Very low | 181 Ų | 181 | 156 Ų | 156 | 79% | 0.794 | 77% | 0.767 | S | S | * | * | | | cis | 67.5 | 85.7 | 46 | -84.1 | -85.5 | 0 | 0 | 0 | 114.6 | | |
| 512 | H | 32.6 | Very low | 29.3 | Very low | 178 Ų | 178 | 152.4 Ų | 152.4 | 82% | 0.824 | 77% | 0.765 | S | S | * | * | | | trans | -116.3 | 130.8 | 148.6 | -84.1 | 18.4 | 0 | 0 | 0 | 105 | | |
| 513 | H | 28.5 | Very low | 29.2 | Very low | 154 Ų | 154 | 149 Ų | 149 | 71% | 0.713 | 76% | 0.761 | S | S | * | * | | | cis | 58.2 | 134.8 | 32.3 | -78.2 | -40.7 | 0 | 0 | 0 | 114.5 | | |
| 514 | H | 24.8 | Very low | 29.3 | Very low | 156 Ų | 156 | 148 Ų | 148 | 72% | 0.722 | 76% | 0.759 | S | S | * | * | | | cis | -168.8 | 120.3 | -20 | -161.1 | -13.9 | 0 | 0 | 0 | 108.8 | | |
| 515 | E | 29.3 | Very low | 29.4 | Very low | 161 Ų | 161 | 146.9 Ų | 146.9 | 75% | 0.752 | 76% | 0.756 | S | S | * | * | | | trans | -168.1 | 124 | 158.3 | -108.7 | 154.8 | -167.1 | 0 | 0 | 109 | | |
| 516 | Q | 29.7 | Very low | 29.4 | Very low | 138 Ų | 138 | 144.9 Ų | 144.9 | 65% | 0.645 | 76% | 0.759 | S | S | * | * | | | | 70.8 | 135.1 | 83.7 | -68.8 | -175.4 | 36 | 0 | 0 | 113.5 | | |
| 517 | H | 32.5 | Very low | 29.4 | Very low | 171 Ų | 171 | 152.3 Ų | 152.3 | 79% | 0.792 | 77% | 0.772 | S | S | * | * | | | cis | -144 | 154.2 | -17.1 | -83.7 | -69 | 0 | 0 | 0 | 105.1 | | |
| 518 | Q | 34.3 | Very low | 29.7 | Very low | 180 Ų | 180 | 151.8 Ų | 151.8 | 84% | 0.841 | 77% | 0.769 | S | S | * | * | | | | -175.6 | 159.4 | 63 | -72 | 176.5 | 6.1 | 0 | 0 | 106.7 | | |
| 519 | S | 30.4 | Very low | 29.7 | Very low | 84 Ų | 84 | 150.9 Ų | 150.9 | 59% | 0.587 | 76% | 0.763 | S | S | * | * | | | cis | -172.7 | 150.7 | -17.3 | 54.8 | 0 | 0 | 0 | 0 | 109.4 | | |
| 520 | L | 30.5 | Very low | 29.8 | Very low | 162 Ų | 162 | 151.9 Ų | 151.9 | 85% | 0.848 | 76% | 0.763 | S | S | * | * | | | trans | 65.9 | 165.4 | 162.8 | -58.1 | 160.9 | 0 | 0 | 0 | 117.6 | | |
| 521 | S | 25 | Very low | 30 | Very low | 91 Ų | 91 | 151 Ų | 151 | 64% | 0.636 | 76% | 0.763 | S | S | * | * | | | | -166.9 | 140.7 | -65.5 | 48.7 | 0 | 0 | 0 | 0 | 111.9 | | |
| 522 | S | 26.3 | Very low | 30.4 | Very low | 107 Ų | 107 | 147.5 Ų | 147.5 | 75% | 0.748 | 76% | 0.756 | S | S | * | * | | | trans | 74.1 | 154.9 | 164.9 | 77.9 | 0 | 0 | 0 | 0 | 120.1 | | |
| 523 | T | 31.2 | Very low | 30.5 | Very low | 120 Ų | 120 | 147 Ų | 147 | 74% | 0.736 | 75% | 0.752 | S | S | * | * | | | trans | 69.3 | 108.8 | 168.7 | 58.5 | 0 | 0 | 0 | 0 | 121.4 | | |
| 524 | N | 31.7 | Very low | 30.6 | Very low | 146 Ų | 146 | 146.6 Ų | 146.6 | 78% | 0.781 | 76% | 0.755 | S | S | * | * | | | | 61.4 | 129.8 | 128 | -63.3 | 12.4 | 0 | 0 | 0 | 124.9 | | |
| 525 | E | 32.5 | Very low | 30.9 | Very low | 159 Ų | 159 | 148.5 Ų | 148.5 | 74% | 0.743 | 76% | 0.761 | S | S | * | * | | | trans | 66.7 | 128.5 | 145.7 | -65.4 | -166.5 | 145.2 | 0 | 0 | 123.4 | | |
| 526 | L | 32 | Very low | 31 | Very low | 161 Ų | 161 | 149.3 Ų | 149.3 | 84% | 0.843 | 76% | 0.762 | S | S | * | * | | | trans | 35.5 | 115.4 | 141.1 | -60.8 | 170.5 | 0 | 0 | 0 | 119.9 | | |
| 527 | R | 30.6 | Very low | 31.1 | Very low | 249 Ų | 249 | 148.5 Ų | 148.5 | 94% | 0.94 | 77% | 0.767 | S | S | * | * | | | | -175 | 162.3 | 97.5 | -148.7 | 172.9 | -178.2 | 151.4 | 0.1 | 112.6 | | |
| 528 | S | 32.2 | Very low | 31 | Very low | 97 Ų | 97 | 145 Ų | 145 | 68% | 0.678 | 76% | 0.762 | S | S | * | * | | | trans | -87.4 | 168 | 165.8 | -45.2 | 0 | 0 | 0 | 0 | 112.8 | | |
| 529 | L | 30.2 | Very low | 30.8 | Very low | 147 Ų | 147 | 141.7 Ų | 141.7 | 77% | 0.77 | 75% | 0.754 | S | S | * | * | | | trans | 93.7 | 132.7 | 155.2 | -64.3 | 165.8 | 0 | 0 | 0 | 121.2 | | |
| 530 | E | 28.4 | Very low | 31 | Very low | 170 Ų | 170 | 145.1 Ų | 145.1 | 79% | 0.794 | 76% | 0.764 | S | S | * | * | | | trans | 76.9 | 129.1 | 136.9 | -72.1 | 169.6 | 161.9 | 0 | 0 | 124.1 | | |
| 531 | L | 32 | Very low | 31 | Very low | 160 Ų | 160 | 142.3 Ų | 142.3 | 84% | 0.838 | 76% | 0.758 | S | S | * | * | | | trans | -143.5 | 141.1 | 157.1 | -67.4 | 165.5 | 0 | 0 | 0 | 105.6 | | |
| 532 | T | 33.4 | Very low | 31.1 | Very low | 106 Ų | 106 | 142.8 Ų | 142.8 | 65% | 0.65 | 76% | 0.761 | S | S | * | * | | | cis | -163.1 | 165.9 | -8.8 | 22.3 | 0 | 0 | 0 | 0 | 106.8 | | |
| 533 | K | 34.3 | Very low | 31.4 | Very low | 168 Ų | 168 | 144.3 Ų | 144.3 | 73% | 0.73 | 77% | 0.766 | S | S | * | * | | | cis | -163 | 142 | 19.6 | -126.5 | 149.3 | -171.2 | 169.1 | 0 | 110 | | |
| 534 | N | 30.7 | Very low | 31.4 | Very low | 146 Ų | 146 | 144.4 Ų | 144.4 | 78% | 0.781 | 77% | 0.767 | S | S | * | * | | | trans | 42.2 | 134 | 145.8 | -51.9 | -6.4 | 0 | 0 | 0 | 120 | | |
| 535 | K | 32 | Very low | 31.6 | Very low | 195 Ų | 195 | 142.5 Ų | 142.5 | 85% | 0.848 | 76% | 0.763 | S | S | * | * | | | cis | -143.8 | 169.7 | 33.6 | -64.6 | 169.3 | 179.1 | 163.6 | 0 | 109.2 | | |
| 536 | K | 31.9 | Very low | 31.5 | Very low | 179 Ų | 179 | 139.8 Ų | 139.8 | 78% | 0.778 | 76% | 0.761 | S | S | * | * | | | cis | -157.5 | 143.6 | 14.4 | -144.6 | 177.1 | -178.1 | -173.7 | 0 | 109.1 | | |
| 537 | T | 31.8 | Very low | 31.8 | Very low | 120 Ų | 120 | 140.1 Ų | 140.1 | 74% | 0.736 | 76% | 0.762 | S | S | * | * | | | trans | 27.8 | 130.2 | 151.1 | 53.6 | 0 | 0 | 0 | 0 | 121 | | |
| 538 | S | 29.7 | Very low | 31.8 | Very low | 99 Ų | 99 | 133.2 Ų | 133.2 | 69% | 0.692 | 75% | 0.752 | S | S | * | * | | | cis | 177.8 | -152.5 | -18.9 | 38.9 | 0 | 0 | 0 | 0 | 106 | | |
| 539 | T | 30.8 | Very low | 32.3 | Very low | 109 Ų | 109 | 134.4 Ų | 134.4 | 67% | 0.669 | 76% | 0.757 | S | S | * | * | | | cis | -168.9 | 155.1 | 5.4 | -14.9 | 0 | 0 | 0 | 0 | 108.8 | | |
| 540 | I | 34.6 | Very low | 32.4 | Very low | 156 Ų | 156 | 131.6 Ų | 131.6 | 80% | 0.8 | 76% | 0.755 | S | S | * | * | | | trans | 66.3 | 137 | 157.2 | -62.8 | 163.5 | 0 | 0 | 0 | 117.1 | | |
| 541 | S | 29.2 | Very low | 32.5 | Very low | 104 Ų | 104 | 128.5 Ų | 128.5 | 73% | 0.727 | 75% | 0.752 | S | S | * | * | | | cis | -162.4 | 161.5 | -22 | 55.8 | 0 | 0 | 0 | 0 | 111.7 | | |
| 542 | S | 27.9 | Very low | 32.4 | Very low | 100 Ų | 100 | 127.2 Ų | 127.2 | 70% | 0.699 | 75% | 0.751 | S | S | * | * | | | trans | -56.6 | 155.8 | 177.3 | 51.9 | 0 | 0 | 0 | 0 | 118.6 | | |
| 543 | T | 33.4 | Very low | 32.1 | Very low | 139 Ų | 139 | 129.5 Ų | 129.5 | 85% | 0.853 | 76% | 0.759 | S | S | * | * | | | | -173.2 | 153.6 | 114.5 | 20.2 | 0 | 0 | 0 | 0 | 114.2 | | |
| 544 | T | 29.4 | Very low | 31.9 | Very low | 123 Ų | 123 | 129.4 Ų | 129.4 | 76% | 0.755 | 76% | 0.764 | S | S | * | * | | | trans | -114.9 | -171.9 | 166.6 | 55.1 | 0 | 0 | 0 | 0 | 107.8 | | |
| 545 | P | 36.6 | Very low | 31.7 | Very low | 106 Ų | 106 | 126.4 Ų | 126.4 | 69% | 0.688 | 76% | 0.755 | S | S | * | * | | | cis | -138.3 | -177.8 | 1.3 | 41.9 | -22.2 | 0 | 0 | 0 | 116.7 | | |
| 546 | S | 30.2 | Very low | 31.3 | Very low | 102 Ų | 102 | 122.8 Ų | 122.8 | 71% | 0.713 | 75% | 0.749 | S | S | * | * | | | trans | 36.9 | 125.3 | 149 | 64.8 | 0 | 0 | 0 | 0 | 122.6 | | |
| 547 | I | 39.5 | Very low | 31.2 | Very low | 168 Ų | 168 | 119.9 Ų | 119.9 | 86% | 0.862 | 75% | 0.746 | S | S | * | * | | | trans | -159.9 | 153.9 | 141.8 | -105.1 | 152.3 | 0 | 0 | 0 | 109.8 | | |
| 548 | S | 28.9 | Very low | 31 | Very low | 104 Ų | 104 | 121.2 Ų | 121.2 | 73% | 0.727 | 75% | 0.747 | S | S | * | * | | | trans | -123.3 | 159.9 | 175.6 | -50.5 | 0 | 0 | 0 | 0 | 111 | | |
| 549 | P | 43.9 | Very low | 31.4 | Very low | 121 Ų | 121 | 122.4 Ų | 122.4 | 79% | 0.786 | 75% | 0.753 | S | S | * | * | | | | -113.1 | 144.1 | 103.9 | -11.3 | 30.2 | 0 | 0 | 0 | 111.4 | | |
| 550 | A | 31.4 | Very low | 31.3 | Very low | 88 Ų | 88 | 121.3 Ų | 121.3 | 73% | 0.727 | 76% | 0.755 | S | S | * | * | | | cis | 69.8 | 122.8 | 45 | 0 | 0 | 0 | 0 | 0 | 111.8 | | |
| 551 | S | 31.7 | Very low | 31.2 | Very low | 106 Ų | 106 | 120.2 Ų | 120.2 | 74% | 0.741 | 76% | 0.756 | S | S | * | * | | | cis | -148.2 | 178.2 | 8.6 | -57.6 | 0 | 0 | 0 | 0 | 109.6 | | |
| 552 | T | 29.1 | Very low | 31 | Very low | 133 Ų | 133 | 121.6 Ų | 121.6 | 82% | 0.816 | 76% | 0.76 | S | S | * | * | | | cis | -155.5 | 157.4 | 13 | -27.5 | 0 | 0 | 0 | 0 | 110.2 | | |
| 553 | L | 26.6 | Very low | 31.5 | Very low | 153 Ų | 153 | 121.7 Ų | 121.7 | 80% | 0.801 | 76% | 0.758 | S | S | * | * | | | trans | -93.1 | -171.4 | 159.3 | -82.9 | 167.7 | 0 | 0 | 0 | 110.3 | | |
| 554 | I | 31.5 | Very low | 31.2 | Very low | 166 Ų | 166 | 120.7 Ų | 120.7 | 85% | 0.851 | 75% | 0.752 | S | S | * | * | | | trans | 79.6 | 142 | 165 | -54.7 | 169.3 | 0 | 0 | 0 | 114.7 | | |
| 555 | S | 26 | Very low | 31.2 | Very low | 83 Ų | 83 | 120.3 Ų | 120.3 | 58% | 0.58 | 75% | 0.749 | S | S | * | * | | | cis | -177.4 | 144.1 | -26.3 | -173.8 | 0 | 0 | 0 | 0 | 111.2 | | |
| 556 | T | 24.1 | Very low | 30.8 | Very low | 120 Ų | 120 | 121 Ų | 121 | 74% | 0.736 | 75% | 0.752 | S | S | * | * | | | trans | 57.7 | 165.8 | 146.7 | 47.9 | 0 | 0 | 0 | 0 | 122.7 | | |
| 557 | V | 29.6 | Very low | 30.8 | Very low | 118 Ų | 118 | 122 Ų | 122 | 72% | 0.715 | 75% | 0.754 | S | S | * | * | | | trans | 75.1 | 112.4 | 164.4 | -156.4 | 0 | 0 | 0 | 0 | 113.7 | | |
| 558 | I | 26.4 | Very low | 30.3 | Very low | 147 Ų | 147 | 119.9 Ų | 119.9 | 75% | 0.754 | 75% | 0.749 | S | S | * | * | | | | 75.1 | 142.7 | 52.2 | -56.6 | 161.3 | 0 | 0 | 0 | 112.3 | | |
| 559 | P | 39.2 | Very low | 30.4 | Very low | 125 Ų | 125 | 120.6 Ų | 120.6 | 81% | 0.812 | 75% | 0.749 | S | S | * | * | | | cis | -91.8 | -136.3 | -20.7 | 24.5 | -3.9 | 0 | 0 | 0 | 108.4 | | |
| 560 | A | 28.6 | Very low | 29.8 | Very low | 85 Ų | 85 | 122 Ų | 122 | 70% | 0.702 | 75% | 0.75 | S | S | * | * | | | cis | -158.8 | 175.6 | -5.8 | 0 | 0 | 0 | 0 | 0 | 107.8 | | |
| 561 | T | 31 | Very low | 29.6 | Very low | 134 Ų | 134 | 126.3 Ų | 126.3 | 82% | 0.822 | 76% | 0.757 | S | S | * | * | | | cis | -132.3 | 141.3 | -6.1 | 43.7 | 0 | 0 | 0 | 0 | 109.6 | | |
| 562 | T | 26.9 | Very low | 29.6 | Very low | 132 Ų | 132 | 129.1 Ų | 129.1 | 81% | 0.81 | 76% | 0.762 | S | S | * | * | | | trans | -78.6 | 169.6 | 154.3 | 46 | 0 | 0 | 0 | 0 | 110.3 | | |
| 563 | P | 37.3 | Very low | 29.7 | Very low | 103 Ų | 103 | 131 Ų | 131 | 67% | 0.669 | 76% | 0.761 | S | S | * | * | | | cis | -135.1 | -172 | -13.1 | 26.2 | -1.9 | 0 | 0 | 0 | 114.1 | | |
| 564 | T | 26.4 | Very low | 29.8 | Very low | 118 Ų | 118 | 129.5 Ų | 129.5 | 72% | 0.724 | 76% | 0.764 | S | S | * | * | | | trans | 71.7 | 156.6 | 142.6 | 36.2 | 0 | 0 | 0 | 0 | 122.9 | | |
| 565 | T | 29.8 | Very low | 29.8 | Very low | 114 Ų | 114 | 131.1 Ų | 131.1 | 70% | 0.699 | 77% | 0.765 | S | S | * | * | | | trans | 71.8 | 94.2 | 148.8 | 38.4 | 0 | 0 | 0 | 0 | 121.4 | | |
| 566 | T | 28.3 | Very low | 29.9 | Very low | 122 Ų | 122 | 131.8 Ų | 131.8 | 75% | 0.748 | 77% | 0.769 | S | S | * | * | | | | 67.3 | 160.5 | 127.9 | 27.3 | 0 | 0 | 0 | 0 | 122 | | |
| 567 | T | 30.6 | Very low | 30.4 | Very low | 122 Ų | 122 | 132 Ų | 132 | 75% | 0.748 | 77% | 0.77 | S | S | * | * | | | trans | 62.8 | 109 | 163 | 40.1 | 0 | 0 | 0 | 0 | 116.8 | | |
| 568 | V | 29 | Very low | 30.7 | Very low | 124 Ų | 124 | 131.8 Ų | 131.8 | 75% | 0.752 | 77% | 0.772 | S | S | * | * | | | | 101.7 | 132.5 | 57.2 | 157.4 | 0 | 0 | 0 | 0 | 111.5 | | |
| 569 | T | 31.2 | Very low | 30.7 | Very low | 119 Ų | 119 | 130.9 Ų | 130.9 | 73% | 0.73 | 77% | 0.773 | S | S | * | * | | | trans | 62.5 | 91.5 | 174.4 | 37.6 | 0 | 0 | 0 | 0 | 119.2 | | |
| 570 | N | 31.9 | Very low | 30.3 | Very low | 151 Ų | 151 | 134 Ų | 134 | 81% | 0.807 | 77% | 0.774 | S | S | * | * | | | | 23.1 | 129.1 | 120.7 | -49.8 | 2.1 | 0 | 0 | 0 | 119.5 | | |
| 571 | M | 26.6 | Very low | 30.3 | Very low | 178 Ų | 178 | 135.2 Ų | 135.2 | 88% | 0.877 | 77% | 0.773 | S | S | * | * | | | | -151.1 | 162.9 | 120.6 | -79.2 | -138.6 | -173.8 | 0 | 0 | 110.4 | | |
| 572 | I | 32.2 | Very low | 30.2 | Very low | 164 Ų | 164 | 135.5 Ų | 135.5 | 84% | 0.841 | 77% | 0.767 | S | S | * | * | | | trans | 62.4 | 86.1 | 172.4 | -37.9 | -179.4 | 0 | 0 | 0 | 113.8 | | |
| 573 | E | 30.7 | Very low | 30.4 | Very low | 172 Ų | 172 | 136.8 Ų | 136.8 | 80% | 0.804 | 76% | 0.762 | S | S | * | * | S | Bend | | -154.6 | 172.1 | 85.5 | -96 | -175.4 | 142.1 | 0 | 0 | 114.2 | K575 | E573-K575 PolarHBondContact O-N 3.36Š|
| 574 | S | 28.8 | Very low | 30.1 | Very low | 123 Ų | 123 | 138.6 Ų | 138.6 | 86% | 0.86 | 76% | 0.762 | S | S | * | * | | | trans | 30.5 | 75.3 | 164.4 | 52.7 | 0 | 0 | 0 | 0 | 119.6 | | |
| 575 | K | 30.1 | Very low | 30.3 | Very low | 199 Ų | 199 | 137.4 Ų | 137.4 | 87% | 0.865 | 76% | 0.758 | S | S | * | * | | | trans | -73.4 | 160.3 | 155 | -80.7 | 179.3 | -177.9 | 176.4 | 0 | 111 | E573 | E573-K575 PolarHBondContact O-N 3.36Š|
| 576 | S | 29.8 | Very low | 30.2 | Very low | 97 Ų | 97 | 138.4 Ų | 138.4 | 68% | 0.678 | 76% | 0.759 | S | S | * | * | | | cis | -179.1 | 159.3 | -7.8 | 49.3 | 0 | 0 | 0 | 0 | 112.7 | | |
| 577 | V | 33.5 | Very low | 30.2 | Very low | 124 Ų | 124 | 139 Ų | 139 | 75% | 0.752 | 76% | 0.758 | S | S | * | * | | | trans | 69.2 | 138.8 | 143.9 | 162.4 | 0 | 0 | 0 | 0 | 119.8 | | |
| 578 | P | 36.8 | Very low | 30.1 | Very low | 115 Ų | 115 | 138 Ų | 138 | 75% | 0.747 | 76% | 0.755 | S | S | * | * | | | trans | -91.8 | 126.1 | 165 | 34.7 | -30.2 | 0 | 0 | 0 | 112.7 | | |
| 579 | T | 26.5 | Very low | 30.1 | Very low | 128 Ų | 128 | 139 Ų | 139 | 79% | 0.785 | 76% | 0.756 | S | S | * | * | | | trans | -176 | 146.7 | 136.8 | 13.4 | 0 | 0 | 0 | 0 | 113.1 | | |
| 580 | K | 30.5 | Very low | 30.3 | Very low | 190 Ų | 190 | 140.5 Ų | 140.5 | 83% | 0.826 | 75% | 0.754 | S | S | * | * | | | trans | 69.1 | 128.4 | 156.4 | -76 | -173.7 | 175.2 | -178.1 | 0 | 121 | | |
| 581 | T | 27.5 | Very low | 30.4 | Very low | 111 Ų | 111 | 138.7 Ų | 138.7 | 68% | 0.681 | 75% | 0.745 | S | S | * | * | | | trans | 77.7 | 108.1 | 136.1 | 51.9 | 0 | 0 | 0 | 0 | 122.9 | | |
| 582 | I | 29.7 | Very low | 30.6 | Very low | 139 Ų | 139 | 136 Ų | 136 | 71% | 0.713 | 73% | 0.734 | S | S | * | * | | | | 79 | 123.9 | 117.9 | -67 | 171.1 | 0 | 0 | 0 | 118.6 | | |
| 583 | K | 31.7 | Very low | 30.6 | Very low | 159 Ų | 159 | 133.3 Ų | 133.3 | 69% | 0.691 | 72% | 0.721 | S | S | * | * | | | trans | 69.4 | 151 | 157.1 | -75.3 | -177.8 | 175.3 | -65.3 | 0 | 118.5 | | |
| 584 | E | 29.4 | Very low | 30.9 | Very low | 142 Ų | 142 | 132.3 Ų | 132.3 | 66% | 0.664 | 72% | 0.721 | S | S | * | * | | | cis | -164.1 | 159 | -28.9 | -131.5 | 155.1 | -138.8 | 0 | 0 | 108.8 | | |
| 585 | S | 31.3 | Very low | 31.2 | Very low | 93 Ų | 93 | 134.7 Ų | 134.7 | 65% | 0.65 | 71% | 0.712 | S | S | * | * | | | trans | 50.8 | 114.5 | 151.9 | 65.8 | 0 | 0 | 0 | 0 | 122.9 | | |
| 586 | N | 28 | Very low | 31.2 | Very low | 135 Ų | 135 | 132 Ų | 132 | 72% | 0.722 | 70% | 0.704 | S | S | * | * | | | | 99.5 | 134.2 | 113.3 | -78.2 | 46.5 | 0 | 0 | 0 | 124.6 | | |
| 587 | D | 28.8 | Very low | 31.3 | Very low | 134 Ų | 134 | 132.2 Ų | 132.2 | 72% | 0.717 | 70% | 0.697 | S | S | * | * | | | trans | 79.5 | 90.6 | 135.9 | -52.8 | -16.4 | 0 | 0 | 0 | 123.1 | | |
| 588 | S | 28.2 | Very low | 31.2 | Very low | 100 Ų | 100 | 133.8 Ų | 133.8 | 70% | 0.699 | 70% | 0.696 | S | S | * | * | | | trans | -28.5 | 166.5 | 143.6 | 57.5 | 0 | 0 | 0 | 0 | 119.8 | | |
| 589 | L | 29.4 | Very low | 30.9 | Very low | 145 Ų | 145 | 133.2 Ų | 133.2 | 76% | 0.759 | 69% | 0.686 | S | S | * | * | | | | -168.7 | 173.8 | 116.8 | -125.5 | 108.3 | 0 | 0 | 0 | 114.5 | | |
| 590 | H | 33.9 | Very low | 31 | Very low | 152 Ų | 152 | 136.4 Ų | 136.4 | 70% | 0.704 | 69% | 0.686 | S | S | * | * | | | trans | 71.7 | 143.3 | 169.6 | -80.7 | 57.2 | 0 | 0 | 0 | 118 | | |
| 591 | N | 34.3 | Very low | 30.9 | Very low | 113 Ų | 113 | 131.4 Ų | 131.4 | 60% | 0.604 | 67% | 0.673 | S | S | * | * | | | cis | -176 | 167.1 | -20.9 | -112.9 | 8 | 0 | 0 | 0 | 107.8 | | |
| 592 | N | 31.8 | Very low | 31 | Very low | 122 Ų | 122 | 134.5 Ų | 134.5 | 65% | 0.652 | 68% | 0.678 | S | S | * | * | | | cis | -171.2 | 171.5 | -44.5 | -131.4 | -40.3 | 0 | 0 | 0 | 109.5 | | |
| 593 | N | 32.7 | Very low | 31.1 | Very low | 106 Ų | 106 | 132.7 Ų | 132.7 | 57% | 0.567 | 67% | 0.673 | S | S | * | * | | | trans | 72.1 | 153.5 | 170.3 | -44.7 | -39.8 | 0 | 0 | 0 | 116.9 | R595 | N593-R595 HydrophobicContact CB-CG 4.39Å; N593-R595 WeakPolarHBondContact OD1-CD 3.38Å |
| 594 | D | 35.8 | Very low | 30.8 | Very low | 152 Ų | 152 | 133.3 Ų | 133.3 | 81% | 0.813 | 68% | 0.683 | S | S | * | * | | | cis | -101.5 | 143.5 | -4 | -66.4 | -59.1 | 0 | 0 | 0 | 110.8 | | |
| 595 | R | 35.4 | Very low | 30.8 | Very low | 173 Ų | 173 | 137 Ų | 137 | 65% | 0.653 | 69% | 0.692 | S | S | * | * | | | cis | 75.4 | 135.2 | 41.5 | -60.8 | -163.8 | 99.2 | 165.1 | 4 | 113.7 | N593 | N593-R595 HydrophobicContact CB-CG 4.39Å; N593-R595 WeakPolarHBondContact OD1-CD 3.38Å |
| 596 | M | 30 | Very low | 30.7 | Very low | 142 Ų | 142 | 135.1 Ų | 135.1 | 70% | 0.7 | 69% | 0.688 | S | S | * | * | | | cis | -172.1 | -177.3 | -11.4 | -110.2 | -6.2 | -142.2 | 0 | 0 | 108.1 | | |
| 597 | D | 31.2 | Very low | 30.8 | Very low | 102 Ų | 102 | 135.2 Ų | 135.2 | 55% | 0.545 | 70% | 0.696 | S | S | . | * | | | cis | -156.7 | 179.4 | 7 | -132 | -37.3 | 0 | 0 | 0 | 112.2 | | |
| 598 | E | 32.7 | Very low | 30.8 | Very low | 157 Ų | 157 | 136.5 Ų | 136.5 | 73% | 0.734 | 70% | 0.703 | S | S | * | * | | | trans | 47.8 | 139.2 | 149.4 | -61.6 | -173.7 | 148.3 | 0 | 0 | 123.2 | | |
| 599 | L | 30.2 | Very low | 30.6 | Very low | 102 Ų | 102 | 136.1 Ų | 136.1 | 53% | 0.534 | 70% | 0.7 | S | S | . | * | | | cis | -162.7 | 179.6 | -7.4 | -106.8 | 165 | 0 | 0 | 0 | 106 | | |
| 600 | Y | 29.1 | Very low | 30.6 | Very low | 196 Ų | 196 | 136.1 Ų | 136.1 | 77% | 0.769 | 70% | 0.701 | S | S | * | * | | | cis | -140.1 | 142.5 | 17.6 | -89.3 | -80.5 | 0 | 0 | 0 | 108.4 | | |
| 601 | C | 28.1 | Very low | 30.4 | Very low | 84 Ų | 84 | 136.1 Ų | 136.1 | 57% | 0.568 | 71% | 0.706 | S | S | * | * | | | | 58.9 | 140.8 | 88.6 | -64.1 | 0 | 0 | 0 | 0 | 117 | | |
| 602 | F | 29.6 | Very low | 30.3 | Very low | 177 Ų | 177 | 135.5 Ų | 135.5 | 78% | 0.776 | 71% | 0.711 | S | S | * | * | | | cis | -152.5 | 138.7 | 7.7 | -134.4 | -64.5 | 0 | 0 | 0 | 112.8 | | |
| 603 | T | 30.6 | Very low | 30.2 | Very low | 100 Ų | 100 | 136.4 Ų | 136.4 | 61% | 0.613 | 72% | 0.715 | S | S | * | * | | | trans | 53.6 | 134.9 | 158.5 | 37.3 | 0 | 0 | 0 | 0 | 124.6 | Y605 | T603-Y605 HydrophobicContact CG2-CD2 3.89Š|
| 604 | L | 25.6 | Very low | 30.1 | Very low | 172 Ų | 172 | 135.5 Ų | 135.5 | 90% | 0.901 | 72% | 0.718 | S | S | * | * | | | trans | -94.9 | 141.1 | 130.9 | -75.2 | 168.6 | 0 | 0 | 0 | 109.3 | | |
| 605 | Y | 30.2 | Very low | 29.7 | Very low | 219 Ų | 219 | 134.9 Ų | 134.9 | 86% | 0.859 | 71% | 0.714 | S | S | * | * | | | trans | -159.7 | 136.9 | 164.4 | -119 | -80.7 | 0 | 0 | 0 | 111.9 | T603 | T603-Y605 HydrophobicContact CG2-CD2 3.89Š|
| 606 | G | 28.6 | Very low | 29.5 | Very low | 54 Ų | 54 | 133.8 Ų | 133.8 | 56% | 0.557 | 72% | 0.717 | S | S | * | * | | | trans | 68.3 | 102.6 | 150.6 | 0 | 0 | 0 | 0 | 0 | 120.2 | N608 | G606-N608 PolarHBondContact O-N 3.16Š|
| 607 | P | 30.9 | Very low | 29.5 | Very low | 138 Ų | 138 | 133.8 Ų | 133.8 | 90% | 0.896 | 72% | 0.718 | S | S | * | * | | | trans | -76.5 | 91 | 151.1 | 32.6 | -29.8 | 0 | 0 | 0 | 109.2 | | |
| 608 | N | 28.6 | Very low | 29.4 | Very low | 160 Ų | 160 | 135.3 Ų | 135.3 | 86% | 0.856 | 73% | 0.726 | S | S | * | * | | | trans | -80.6 | 133 | 176.8 | -107 | -5.6 | 0 | 0 | 0 | 111.4 | G606 | G606-N608 PolarHBondContact O-N 3.16Š|
| 609 | S | 24.9 | Very low | 29.5 | Very low | 93 Ų | 93 | 134 Ų | 134 | 65% | 0.65 | 72% | 0.724 | S | S | * | * | | | trans | -71.5 | 144.7 | 171.8 | 58.5 | 0 | 0 | 0 | 0 | 111.4 | | |
| 610 | N | 27.8 | Very low | 29.4 | Very low | 144 Ų | 144 | 135.7 Ų | 135.7 | 77% | 0.77 | 73% | 0.734 | S | S | * | * | | | | 165.5 | 99.7 | 120.7 | -80.5 | -10.8 | 0 | 0 | 0 | 112.1 | | |
| 611 | N | 31 | Very low | 29.6 | Very low | 153 Ų | 153 | 132.6 Ų | 132.6 | 82% | 0.818 | 73% | 0.73 | S | S | * | * | | | | -162.4 | 115.1 | 129.3 | -105.4 | -24.8 | 0 | 0 | 0 | 110.2 | | |
| 612 | S | 31.4 | Very low | 29.7 | Very low | 99 Ų | 99 | 134.5 Ų | 134.5 | 69% | 0.692 | 74% | 0.735 | S | S | * | * | | | | 26.6 | 120.3 | 123.8 | -39.9 | 0 | 0 | 0 | 0 | 116.8 | | |
| 613 | N | 30.2 | Very low | 29.8 | Very low | 141 Ų | 141 | 132.1 Ų | 132.1 | 75% | 0.754 | 73% | 0.73 | S | S | * | * | | | cis | -148.6 | 134.5 | 13.1 | -82.8 | -15.4 | 0 | 0 | 0 | 107.7 | | |
| 614 | S | 30.2 | Very low | 30 | Very low | 88 Ų | 88 | 136.6 Ų | 136.6 | 62% | 0.615 | 74% | 0.741 | S | S | * | * | | | | 47 | 115.3 | 84.3 | 76.6 | 0 | 0 | 0 | 0 | 116.5 | | |
| 615 | N | 27.7 | Very low | 30.3 | Very low | 139 Ų | 139 | 134.1 Ų | 134.1 | 74% | 0.743 | 73% | 0.733 | S | S | * | * | | | trans | 59.5 | 150.5 | 141.5 | -61.6 | 29.6 | 0 | 0 | 0 | 118.6 | | |
| 616 | E | 31.3 | Very low | 30.5 | Very low | 150 Ų | 150 | 129 Ų | 129 | 70% | 0.701 | 72% | 0.724 | S | S | * | * | | | cis | -146.3 | 144.4 | -0.7 | -107.9 | 140.4 | -140.8 | 0 | 0 | 106.2 | | |
| 617 | I | 28.8 | Very low | 30.7 | Very low | 142 Ų | 142 | 133.7 Ų | 133.7 | 73% | 0.728 | 74% | 0.737 | S | S | * | * | | | | 56.2 | 124.1 | 84.3 | -62.1 | 178.3 | 0 | 0 | 0 | 115.2 | | |
| 618 | N | 30.9 | Very low | 30.7 | Very low | 133 Ų | 133 | 131.9 Ų | 131.9 | 71% | 0.711 | 73% | 0.728 | S | S | * | * | | | trans | 76.4 | 105.2 | 161.1 | -70.9 | -12.4 | 0 | 0 | 0 | 122 | | |
| 619 | N | 32.9 | Very low | 30.9 | Very low | 130 Ų | 130 | 130.4 Ų | 130.4 | 70% | 0.695 | 73% | 0.725 | S | S | * | * | | | | 58.4 | 103.9 | 114.9 | -60.8 | -8 | 0 | 0 | 0 | 121 | | |
| 620 | N | 29.3 | Very low | 31 | Very low | 137 Ų | 137 | 132.3 Ų | 132.3 | 73% | 0.733 | 73% | 0.732 | S | S | * | * | | | | 60.5 | 117.1 | 114.2 | -70 | 15.2 | 0 | 0 | 0 | 121.4 | | |
| 621 | N | 32.5 | Very low | 31.2 | Very low | 131 Ų | 131 | 131.4 Ų | 131.4 | 70% | 0.701 | 73% | 0.731 | S | S | * | * | | | trans | 104 | 96.8 | 132.6 | -62.9 | 6.9 | 0 | 0 | 0 | 120.3 | | |
| 622 | N | 30.8 | Very low | 31.1 | Very low | 125 Ų | 125 | 133 Ų | 133 | 67% | 0.668 | 73% | 0.731 | S | S | * | * | | | | 102.7 | 128.9 | 113.1 | -82.1 | 48 | 0 | 0 | 0 | 122.8 | | |
| 623 | D | 31.5 | Very low | 31 | Very low | 126 Ų | 126 | 132.4 Ų | 132.4 | 67% | 0.674 | 73% | 0.727 | S | S | * | * | | | trans | 71.4 | 113.9 | 139.5 | -58.4 | -32.2 | 0 | 0 | 0 | 122.5 | | |
| 624 | K | 34.9 | Very low | 30.9 | Very low | 195 Ų | 195 | 133.8 Ų | 133.8 | 85% | 0.848 | 73% | 0.729 | S | S | * | * | | | | -161.3 | 113.8 | 115.7 | -99.5 | 140.8 | -167.8 | 164.4 | 0 | 113.8 | | |
| 625 | T | 32.3 | Very low | 31 | Very low | 119 Ų | 119 | 137.1 Ų | 137.1 | 73% | 0.73 | 74% | 0.735 | S | S | * | * | | | | 33.1 | 141.6 | 120.7 | 64.9 | 0 | 0 | 0 | 0 | 119.2 | | |
| 626 | V | 35 | Very low | 31.3 | Very low | 111 Ų | 111 | 137 Ų | 137 | 67% | 0.673 | 74% | 0.739 | S | S | * | * | | | | -167.9 | 140.1 | 57.6 | 166.2 | 0 | 0 | 0 | 0 | 110.6 | | |
| 627 | N | 31.4 | Very low | 31.2 | Very low | 153 Ų | 153 | 133.3 Ų | 133.3 | 82% | 0.818 | 74% | 0.741 | S | S | * | * | | | trans | 56.1 | 149.8 | 163.1 | -63.5 | -9.6 | 0 | 0 | 0 | 118.9 | | |
| 628 | S | 31.9 | Very low | 31.5 | Very low | 100 Ų | 100 | 133.8 Ų | 133.8 | 70% | 0.699 | 75% | 0.75 | S | S | * | * | | | cis | -165 | -177.3 | -19.7 | 56.8 | 0 | 0 | 0 | 0 | 106.3 | | |
| 629 | T | 32 | Very low | 31.5 | Very low | 130 Ų | 130 | 132.2 Ų | 132.2 | 80% | 0.798 | 75% | 0.749 | S | S | * | * | | | cis | -155.2 | -178.6 | 17.7 | -28.5 | 0 | 0 | 0 | 0 | 109 | | |
| 630 | V | 27.7 | Very low | 31.5 | Very low | 133 Ų | 133 | 133.9 Ų | 133.9 | 81% | 0.806 | 76% | 0.758 | S | S | * | * | | | trans | -119.1 | 142.7 | 179.9 | 172.7 | 0 | 0 | 0 | 0 | 111.3 | | |
| 631 | V | 30.7 | Very low | 31.5 | Very low | 124 Ų | 124 | 132.9 Ų | 132.9 | 75% | 0.752 | 75% | 0.752 | S | S | * | * | | | trans | 175.5 | 127.1 | 134.9 | 148.2 | 0 | 0 | 0 | 0 | 111.2 | | |
| 632 | K | 30.4 | Very low | 31.5 | Very low | 188 Ų | 188 | 136.4 Ų | 136.4 | 82% | 0.817 | 76% | 0.757 | S | S | * | * | | | trans | 26.2 | 146 | 146.2 | -55.1 | -176.8 | 179.9 | -174.5 | 0 | 121 | | |
| 633 | S | 28.9 | Very low | 31.7 | Very low | 86 Ų | 86 | 136.2 Ų | 136.2 | 60% | 0.601 | 76% | 0.755 | S | S | * | * | | | cis | -179.6 | 145 | -6.1 | 45 | 0 | 0 | 0 | 0 | 110.4 | | |
| 634 | E | 28.7 | Very low | 31.6 | Very low | 170 Ų | 170 | 134.9 Ų | 134.9 | 79% | 0.794 | 76% | 0.756 | S | S | * | * | | | trans | 61.7 | 152 | 154.6 | -70.7 | 154.5 | -149.7 | 0 | 0 | 118.1 | | |
| 635 | Q | 31.8 | Very low | 31.3 | Very low | 158 Ų | 158 | 130.8 Ų | 130.8 | 74% | 0.738 | 74% | 0.743 | S | S | * | * | | | cis | -154.3 | 138.1 | 8.2 | -132.5 | 164 | 33 | 0 | 0 | 112.2 | | |
| 636 | T | 32.7 | Very low | 31.1 | Very low | 136 Ų | 136 | 135.7 Ų | 135.7 | 83% | 0.834 | 75% | 0.75 | S | S | * | * | | | trans | 30.3 | 137.7 | 149 | 55.5 | 0 | 0 | 0 | 0 | 124.7 | | |
| 637 | G | 29.8 | Very low | 30.7 | Very low | 72 Ų | 72 | 141.2 Ų | 141.2 | 74% | 0.742 | 76% | 0.758 | S | S | * | * | | | trans | 173.6 | 123 | 150.4 | 0 | 0 | 0 | 0 | 0 | 119.9 | | |
| 638 | V | 34.9 | Very low | 30.5 | Very low | 152 Ų | 152 | 140.7 Ų | 140.7 | 92% | 0.921 | 76% | 0.755 | S | S | * | * | | | trans | 81 | 143.1 | 157.6 | -167.9 | 0 | 0 | 0 | 0 | 119.5 | | |
| 639 | C | 30.8 | Very low | 30.4 | Very low | 100 Ų | 100 | 141.5 Ų | 141.5 | 68% | 0.676 | 76% | 0.76 | S | S | * | * | | | trans | -129 | 175 | -166 | -42.7 | 0 | 0 | 0 | 0 | 113.7 | | |
| 640 | N | 32.8 | Very low | 30.3 | Very low | 166 Ų | 166 | 140.9 Ų | 140.9 | 89% | 0.888 | 76% | 0.762 | S | S | * | * | | | trans | -173.3 | 148.8 | 132.1 | -99.5 | -18.7 | 0 | 0 | 0 | 113.1 | | |
| 641 | D | 31 | Very low | 30.3 | Very low | 116 Ų | 116 | 144 Ų | 144 | 62% | 0.62 | 77% | 0.767 | S | S | * | * | | | trans | -115 | -178.5 | -165.2 | -54.6 | -76.1 | 0 | 0 | 0 | 115.1 | I643 | D641-I643 HydrophobicContact CB-CD1 4.44Š|
| 642 | Y | 32.1 | Very low | 30.3 | Very low | 204 Ų | 204 | 147.5 Ų | 147.5 | 80% | 0.8 | 77% | 0.772 | S | S | * | * | | | | 166.8 | 111.3 | 128.6 | -93.2 | -78.5 | 0 | 0 | 0 | 108.3 | | |
| 643 | I | 34.7 | Very low | 30.2 | Very low | 122 Ų | 122 | 143.1 Ų | 143.1 | 63% | 0.626 | 77% | 0.765 | S | S | * | * | | | | 78.4 | 130.2 | 61.3 | -68.9 | 169.6 | 0 | 0 | 0 | 112.8 | D641 | D641-I643 HydrophobicContact CB-CD1 4.44Š|
| 644 | S | 29.6 | Very low | 30.2 | Very low | 98 Ų | 98 | 149.3 Ų | 149.3 | 69% | 0.685 | 78% | 0.777 | S | S | * | * | | | cis | -165.4 | 167.8 | -8 | -100.3 | 0 | 0 | 0 | 0 | 113.4 | | |
| 645 | N | 27.6 | Very low | 30.1 | Very low | 109 Ų | 109 | 147.4 Ų | 147.4 | 58% | 0.583 | 77% | 0.772 | S | S | * | * | | | trans | -87.1 | 177.2 | 163.5 | -72.5 | -75.2 | 0 | 0 | 0 | 112.1 | | |
| 646 | Y | 29.3 | Very low | 29.8 | Very low | 222 Ų | 222 | 148 Ų | 148 | 87% | 0.871 | 77% | 0.774 | S | S | * | * | | | trans | -164 | 139.5 | 140.1 | -108.5 | -63.9 | 0 | 0 | 0 | 115.2 | | |
| 647 | W | 25.8 | Very low | 29.7 | Very low | 226 Ų | 226 | 150.3 Ų | 150.3 | 86% | 0.856 | 77% | 0.774 | S | S | * | * | | | trans | -156.7 | -178.1 | 156.8 | -135.1 | 88 | 0 | 0 | 0 | 109 | | |
| 648 | L | 28 | Very low | 29.5 | Very low | 143 Ų | 143 | 156.1 Ų | 156.1 | 75% | 0.749 | 77% | 0.774 | S | S | * | * | | | trans | 81 | 123.7 | 166.3 | -68.3 | 162.5 | 0 | 0 | 0 | 119 | | |
| 649 | S | 28.2 | Very low | 29.1 | Very low | 116 Ų | 116 | 157.8 Ų | 157.8 | 81% | 0.811 | 77% | 0.772 | S | S | * | * | | | trans | -78.3 | 155.6 | 149 | -47.7 | 0 | 0 | 0 | 0 | 110 | | |
| 650 | S | 31 | Very low | 29 | Very low | 118 Ų | 118 | 160.2 Ų | 160.2 | 83% | 0.825 | 78% | 0.777 | S | S | * | * | | | trans | -113.2 | 137.2 | 175.5 | -64.3 | 0 | 0 | 0 | 0 | 112.8 | | |
| 651 | H | 27.8 | Very low | 28.9 | Very low | 197 Ų | 197 | 157.3 Ų | 157.3 | 91% | 0.912 | 77% | 0.77 | S | S | * | * | | | trans | -110.3 | 167.9 | 160.4 | -117.2 | -104.6 | 0 | 0 | 0 | 109.2 | | |
| 652 | K | 30.4 | Very low | 28.9 | Very low | 198 Ų | 198 | 159.1 Ų | 159.1 | 86% | 0.861 | 78% | 0.78 | S | S | * | * | | | trans | -71.3 | 149.2 | -166.6 | -59.6 | -179.5 | 179.2 | -177.2 | 0 | 114.8 | | |
| 653 | S | 27.9 | Very low | 28.8 | Very low | 97 Ų | 97 | 160.5 Ų | 160.5 | 68% | 0.678 | 78% | 0.784 | S | S | * | * | | | trans | 10.8 | 144.1 | 148.2 | -41.5 | 0 | 0 | 0 | 0 | 119.5 | | |
| 654 | Y | 29.7 | Very low | 28.7 | Very low | 216 Ų | 216 | 159.1 Ų | 159.1 | 85% | 0.847 | 78% | 0.784 | S | S | * | * | | | | -156.4 | 174.5 | 52.1 | -114.5 | -79.4 | 0 | 0 | 0 | 114.6 | | |
| 655 | D | 26.5 | Very low | 28.9 | Very low | 130 Ų | 130 | 162.7 Ų | 162.7 | 70% | 0.695 | 79% | 0.794 | S | S | * | * | | | trans | -82.9 | 163.2 | -158.5 | -52.3 | -84.6 | 0 | 0 | 0 | 119.2 | | |
| 656 | H | 26 | Very low | 29.2 | Very low | 169 Ų | 169 | 164.1 Ų | 164.1 | 78% | 0.782 | 80% | 0.801 | S | S | * | * | | | trans | -150.5 | 104.2 | 159 | -113.9 | 47.8 | 0 | 0 | 0 | 111.1 | | |
| 657 | F | 29.1 | Very low | 29.9 | Very low | 186 Ų | 186 | 159.4 Ų | 159.4 | 82% | 0.816 | 80% | 0.797 | S | S | * | * | | | | -179.1 | 162.2 | 103.4 | -108.8 | -78.7 | 0 | 0 | 0 | 113.7 | | |
| 658 | Y | 26 | Very low | 30.2 | Very low | 193 Ų | 193 | 156.7 Ų | 156.7 | 76% | 0.757 | 79% | 0.794 | S | S | * | * | | | trans | -79.1 | 155.7 | 179.5 | -80.6 | -109.6 | 0 | 0 | 0 | 113.4 | | |
| 659 | H | 27.4 | Very low | 30.6 | Very low | 188 Ų | 188 | 155.2 Ų | 155.2 | 87% | 0.87 | 79% | 0.794 | S | S | * | * | | | trans | -139.8 | 121 | 145.4 | -120.5 | -80.5 | 0 | 0 | 0 | 109.8 | | |
| 660 | L | 27.7 | Very low | 30.8 | Very low | 150 Ų | 150 | 155.6 Ų | 155.6 | 79% | 0.785 | 79% | 0.791 | S | S | * | * | | | trans | -151.6 | 125.5 | 176.2 | -97.1 | 176.6 | 0 | 0 | 0 | 110.1 | | |
| 661 | S | 31.6 | Very low | 30.8 | Very low | 106 Ų | 106 | 158 Ų | 158 | 74% | 0.741 | 79% | 0.789 | S | S | * | * | | | trans | 175.9 | 148 | 162.5 | 55.4 | 0 | 0 | 0 | 0 | 111 | | |
| 662 | D | 29.7 | Very low | 30.8 | Very low | 154 Ų | 154 | 156.9 Ų | 156.9 | 82% | 0.824 | 78% | 0.784 | S | S | * | * | | | cis | -169.1 | 157.3 | -37 | -142.4 | -35.1 | 0 | 0 | 0 | 108.5 | | |
| 663 | R | 31.5 | Very low | 30.7 | Very low | 233 Ų | 233 | 154.7 Ų | 154.7 | 88% | 0.879 | 78% | 0.777 | S | S | * | * | | | trans | 172 | 144 | 161.4 | -101.9 | -178.7 | -163.7 | -140.2 | 3.7 | 111.6 | | |
| 664 | S | 32.2 | Very low | 30.8 | Very low | 92 Ų | 92 | 159.1 Ų | 159.1 | 64% | 0.643 | 79% | 0.786 | S | S | * | * | | | cis | 179.4 | 118.6 | -27.7 | 48.4 | 0 | 0 | 0 | 0 | 109.7 | | |
| 665 | I | 34.5 | Very low | 30.6 | Very low | 173 Ų | 173 | 158.8 Ų | 158.8 | 89% | 0.887 | 78% | 0.784 | S | S | * | * | | | trans | -139.9 | 142.7 | 160.2 | -61.7 | -174.5 | 0 | 0 | 0 | 108.6 | | |
| 666 | L | 33.3 | Very low | 30.6 | Very low | 139 Ų | 139 | 161.6 Ų | 161.6 | 73% | 0.728 | 79% | 0.786 | S | S | * | * | | | trans | -96.4 | 174.4 | -174.6 | -113.5 | 78.6 | 0 | 0 | 0 | 112 | | |
| 667 | P | 43.8 | Very low | 30.6 | Very low | 123 Ų | 123 | 161.1 Ų | 161.1 | 80% | 0.799 | 78% | 0.784 | S | S | * | * | | | cis | -135 | 179.1 | 29.9 | 38.7 | -17.8 | 0 | 0 | 0 | 118.5 | | |
| 668 | Q | 33 | Very low | 30.6 | Very low | 169 Ų | 169 | 159.6 Ų | 159.6 | 79% | 0.79 | 78% | 0.779 | S | S | * | * | | | trans | -69.7 | 170.3 | 178.3 | -72.7 | 178.9 | -21.4 | 0 | 0 | 113.6 | | |
| 669 | P | 36.1 | Very low | 30.7 | Very low | 113 Ų | 113 | 158.3 Ų | 158.3 | 73% | 0.734 | 78% | 0.779 | S | S | * | * | | | cis | -127.5 | -162.5 | 20.7 | 34.3 | -10.1 | 0 | 0 | 0 | 113.6 | | |
| 670 | T | 32.5 | Very low | 30.8 | Very low | 124 Ų | 124 | 156.2 Ų | 156.2 | 76% | 0.761 | 78% | 0.775 | S | S | * | * | | | cis | -157.4 | 164.5 | 21 | -25.3 | 0 | 0 | 0 | 0 | 113.3 | | |
| 671 | E | 29.6 | Very low | 31.7 | Very low | 168 Ų | 168 | 154.3 Ų | 154.3 | 79% | 0.785 | 77% | 0.771 | S | S | * | * | | | trans | -48.8 | 159.4 | 163.1 | -76.8 | 150.5 | -146 | 0 | 0 | 116.6 | | |
| 672 | E | 28.9 | Very low | 31.6 | Very low | 173 Ų | 173 | 157.2 Ų | 157.2 | 81% | 0.808 | 78% | 0.777 | S | S | * | * | | | cis | -158.6 | -171.2 | -17.8 | -131.3 | -177 | -167.4 | 0 | 0 | 112.3 | | |
| 673 | H | 27.7 | Very low | 31.9 | Very low | 153 Ų | 153 | 158 Ų | 158 | 71% | 0.708 | 78% | 0.776 | S | S | * | * | | | trans | -75.3 | 141.1 | -172.6 | -60.3 | -76.9 | 0 | 0 | 0 | 115.3 | | |
| 674 | H | 30.7 | Very low | 32 | Very low | 189 Ų | 189 | 154.4 Ų | 154.4 | 88% | 0.875 | 77% | 0.769 | S | S | * | * | | | | 175.4 | 151.2 | 96.6 | -89.8 | -65.7 | 0 | 0 | 0 | 112.2 | | |
| 675 | R | 25.4 | Very low | 32.2 | Very low | 210 Ų | 210 | 156.8 Ų | 156.8 | 79% | 0.792 | 77% | 0.77 | S | S | * | * | | | trans | -121.1 | 109.2 | 171.1 | 179.7 | -160.2 | -68.2 | -172.5 | 0.2 | 109 | | |
| 676 | Y | 26.2 | Very low | 32.2 | Very low | 188 Ų | 188 | 155.8 Ų | 155.8 | 74% | 0.737 | 76% | 0.762 | S | S | * | * | | | | 169.9 | 143.5 | 129.8 | -100.8 | -67.6 | 0 | 0 | 0 | 113.6 | | |
| 677 | H | 26.9 | Very low | 32 | Very low | 159 Ų | 159 | 155.7 Ų | 155.7 | 74% | 0.736 | 76% | 0.761 | S | S | * | * | | | trans | 68.7 | 152.5 | 163.8 | -78.6 | -76.3 | 0 | 0 | 0 | 120.4 | | |
| 678 | H | 27.9 | Very low | 31.5 | Very low | 154 Ų | 154 | 157.6 Ų | 157.6 | 71% | 0.713 | 76% | 0.759 | S | S | * | * | | | trans | 67.9 | 137.2 | 177.5 | -63.5 | -83.3 | 0 | 0 | 0 | 116 | | |
| 679 | H | 29.2 | Very low | 31.5 | Very low | 166 Ų | 166 | 157.6 Ų | 157.6 | 77% | 0.769 | 76% | 0.759 | S | S | * | * | | | cis | -145.8 | 148.2 | 2.2 | -121.3 | -64.1 | 0 | 0 | 0 | 112 | | |
| 680 | D | 27.6 | Very low | 31.1 | Very low | 145 Ų | 145 | 159.1 Ų | 159.1 | 78% | 0.775 | 76% | 0.761 | S | S | * | * | | | trans | -125 | 163.8 | 161.7 | -111.4 | -31.1 | 0 | 0 | 0 | 107.5 | | |
| 681 | P | 47 | Very low | 31 | Very low | 109 Ų | 109 | 159.9 Ų | 159.9 | 71% | 0.708 | 76% | 0.76 | S | S | * | * | | | cis | -131.1 | 164.4 | -32.9 | 39 | -26 | 0 | 0 | 0 | 112.8 | | |
| 682 | L | 30.5 | Very low | 30.9 | Very low | 167 Ų | 167 | 159.2 Ų | 159.2 | 87% | 0.874 | 76% | 0.757 | S | S | * | * | | | trans | 179 | 141.8 | 162.5 | -96.6 | 172.5 | 0 | 0 | 0 | 107.2 | | |
| 683 | Q | 35.1 | Very low | 30.9 | Very low | 170 Ų | 170 | 155.5 Ų | 155.5 | 79% | 0.794 | 75% | 0.746 | S | S | * | * | | | cis | -125.6 | 163.1 | -11.7 | -77.6 | -173.7 | 106.3 | 0 | 0 | 108 | | |
| 684 | H | 34.9 | Very low | 30.9 | Very low | 158 Ų | 158 | 154.7 Ų | 154.7 | 73% | 0.731 | 74% | 0.742 | S | S | * | * | | | cis | 92.3 | 112 | 32.1 | -135.4 | 51.7 | 0 | 0 | 0 | 116.1 | | |
| 685 | Q | 34.8 | Very low | 30.9 | Very low | 142 Ų | 142 | 151.7 Ų | 151.7 | 66% | 0.664 | 73% | 0.733 | S | S | * | * | | | trans | 72.4 | 107.7 | 160.7 | -69.7 | -170.1 | -33.5 | 0 | 0 | 123.6 | | |
| 686 | Q | 34.3 | Very low | 31 | Very low | 152 Ų | 152 | 150.6 Ų | 150.6 | 71% | 0.71 | 73% | 0.73 | S | S | * | * | | | | 91.7 | 130.6 | 118.4 | -76.6 | -174.9 | -3.5 | 0 | 0 | 123.8 | | |
| 687 | L | 30.3 | Very low | 31.1 | Very low | 137 Ų | 137 | 149 Ų | 149 | 72% | 0.717 | 73% | 0.729 | S | S | * | * | | | trans | 83.3 | 134.4 | 142.5 | -73.7 | 163.3 | 0 | 0 | 0 | 121.7 | | |
| 688 | Q | 33.7 | Very low | 31.1 | Very low | 164 Ų | 164 | 149.7 Ų | 149.7 | 77% | 0.766 | 73% | 0.732 | S | S | * | * | | | trans | 59.2 | 111.4 | 157.2 | -65.9 | 169.1 | 4.9 | 0 | 0 | 117.2 | | |
| 689 | Q | 32.2 | Very low | 31.3 | Very low | 169 Ų | 169 | 148.3 Ų | 148.3 | 79% | 0.79 | 73% | 0.73 | S | S | * | * | | | | 89.2 | 111.5 | 58.5 | -82.1 | -167.9 | -3.4 | 0 | 0 | 114.8 | | |
| 690 | L | 28.3 | Very low | 31.5 | Very low | 145 Ų | 145 | 147 Ų | 147 | 76% | 0.759 | 73% | 0.727 | S | S | * | * | | | trans | 73.2 | 149.2 | 143.4 | -68.3 | 164.3 | 0 | 0 | 0 | 120.1 | | |
| 691 | N | 29.9 | Very low | 31.6 | Very low | 139 Ų | 139 | 147.5 Ų | 147.5 | 74% | 0.743 | 73% | 0.729 | S | S | * | * | | | trans | 75.5 | 136.4 | 171.6 | -55.3 | -16.1 | 0 | 0 | 0 | 116.9 | | |
| 692 | H | 28.5 | Very low | 31.1 | Very low | 155 Ų | 155 | 147.8 Ų | 147.8 | 72% | 0.718 | 73% | 0.731 | S | S | * | * | | | cis | -165.2 | 165.5 | -27.2 | -134 | -64.8 | 0 | 0 | 0 | 108.9 | | |
| 693 | T | 28.4 | Very low | 30.9 | Very low | 94 Ų | 94 | 143.6 Ų | 143.6 | 58% | 0.577 | 72% | 0.721 | S | S | * | * | | | trans | 53.5 | 114.4 | 153.4 | 48.6 | 0 | 0 | 0 | 0 | 119.3 | | |
| 694 | Q | 27.5 | Very low | 30.5 | Very low | 136 Ų | 136 | 145.2 Ų | 145.2 | 64% | 0.636 | 73% | 0.725 | S | S | * | * | | | | 60.8 | 125.6 | 101 | -60.9 | 172.8 | -39.7 | 0 | 0 | 116.1 | | |
| 695 | N | 30.7 | Very low | 30.4 | Very low | 126 Ų | 126 | 144.4 Ų | 144.4 | 67% | 0.674 | 73% | 0.725 | S | S | * | * | | | | -177.5 | 130.2 | 90.6 | -90.4 | -61.7 | 0 | 0 | 0 | 108.3 | | |
| 696 | Y | 27.1 | Very low | 30.2 | Very low | 187 Ų | 187 | 143.8 Ų | 143.8 | 73% | 0.733 | 73% | 0.731 | S | S | * | * | | | | 61.6 | 150.5 | 76.8 | -83.9 | -115.2 | 0 | 0 | 0 | 113.6 | | |
| 697 | H | 27.8 | Very low | 30 | Very low | 156 Ų | 156 | 141.2 Ų | 141.2 | 72% | 0.722 | 73% | 0.729 | S | S | * | * | | | cis | 179.5 | 125.1 | -27.9 | -154.2 | -69.5 | 0 | 0 | 0 | 105.6 | | |
| 698 | E | 28.7 | Very low | 29.9 | Very low | 173 Ų | 173 | 138.5 Ų | 138.5 | 81% | 0.808 | 72% | 0.721 | S | S | * | * | | | trans | -132.9 | 133.6 | 165.5 | -66.9 | -169.2 | 146.4 | 0 | 0 | 107.5 | | |
| 699 | N | 31.2 | Very low | 29.6 | Very low | 125 Ų | 125 | 137.1 Ų | 137.1 | 67% | 0.668 | 72% | 0.715 | S | S | * | * | S | Bend | cis | -132.9 | 149.4 | 34 | -81.9 | -83.8 | 0 | 0 | 0 | 115.1 | | |
| 700 | I | 32.5 | Very low | 29.2 | Very low | 137 Ų | 137 | 135.6 Ų | 135.6 | 70% | 0.703 | 71% | 0.708 | S | S | * | * | | | trans | 58.4 | 100 | 137.4 | -63.5 | 164.7 | 0 | 0 | 0 | 116.9 | | |
| 701 | L | 29.6 | Very low | 29.2 | Very low | 156 Ų | 156 | 135.2 Ų | 135.2 | 82% | 0.817 | 70% | 0.702 | S | S | * | * | | | | 67.7 | 147.6 | 82.1 | -90.5 | 83.7 | 0 | 0 | 0 | 116 | | |
| 702 | P | 37 | Very low | 29.1 | Very low | 115 Ų | 115 | 133.8 Ų | 133.8 | 75% | 0.747 | 69% | 0.693 | S | S | * | * | | | cis | -134.8 | -179.5 | -19.5 | 38.5 | -20.2 | 0 | 0 | 0 | 114.7 | | |
| 703 | A | 27.2 | Very low | 29.4 | Very low | 80 Ų | 80 | 134.7 Ų | 134.7 | 66% | 0.661 | 70% | 0.698 | S | S | * | * | | | trans | -79.9 | 162.5 | -178.9 | 0 | 0 | 0 | 0 | 0 | 115.1 | | |
| 704 | F | 26 | Very low | 29.4 | Very low | 203 Ų | 203 | 135.8 Ų | 135.8 | 89% | 0.89 | 70% | 0.7 | S | S | * | * | | | | 171.9 | 178.5 | 114.4 | -97.6 | -70 | 0 | 0 | 0 | 111.9 | | |
| 705 | I | 32.5 | Very low | 29.4 | Very low | 142 Ų | 142 | 136.4 Ų | 136.4 | 73% | 0.728 | 71% | 0.707 | S | S | * | * | | | trans | 76.5 | 92.8 | 165.2 | -60.5 | 174.7 | 0 | 0 | 0 | 117.4 | | |
| 706 | T | 31.2 | Very low | 29.7 | Very low | 128 Ų | 128 | 135.4 Ų | 135.4 | 79% | 0.785 | 71% | 0.707 | S | S | * | * | | | trans | 60.9 | -178.6 | 142.1 | 69.7 | 0 | 0 | 0 | 0 | 117.9 | | |
| 707 | C | 29 | Very low | 30.2 | Very low | 98 Ų | 98 | 134 Ų | 134 | 66% | 0.662 | 71% | 0.707 | S | S | * | * | | | cis | -138.2 | 145.3 | -19 | -123.9 | 0 | 0 | 0 | 0 | 105.1 | | |
| 708 | S | 28.4 | Very low | 30.2 | Very low | 80 Ų | 80 | 133.1 Ų | 133.1 | 56% | 0.559 | 71% | 0.708 | S | S | * | * | | | | 45.4 | 103.2 | 90.1 | -57.2 | 0 | 0 | 0 | 0 | 112.2 | | |
| 709 | Q | 27.2 | Very low | 30.8 | Very low | 136 Ų | 136 | 129.5 Ų | 129.5 | 64% | 0.636 | 70% | 0.7 | S | S | * | * | | | | 91.1 | 143.6 | 79.7 | -85.5 | 160.1 | -90.5 | 0 | 0 | 111.1 | | |
| 710 | E | 25.5 | Very low | 30.9 | Very low | 136 Ų | 136 | 129.3 Ų | 129.3 | 64% | 0.636 | 70% | 0.702 | S | S | * | * | | | trans | 71.7 | 153.6 | 137.6 | -72.7 | 167.6 | -149.5 | 0 | 0 | 118.1 | | |
| 711 | H | 27 | Very low | 30.8 | Very low | 138 Ų | 138 | 132.5 Ų | 132.5 | 64% | 0.639 | 71% | 0.707 | S | S | * | * | | | cis | -158.4 | -163.7 | -3.6 | -129.7 | -25.9 | 0 | 0 | 0 | 111.4 | | |
| 712 | I | 28.8 | Very low | 30.7 | Very low | 108 Ų | 108 | 129.5 Ų | 129.5 | 55% | 0.554 | 70% | 0.698 | S | S | * | * | | | trans | 16.6 | 114 | 132.6 | -52.7 | 154.5 | 0 | 0 | 0 | 112.6 | | |
| 713 | Q | 34.2 | Very low | 30.6 | Very low | 175 Ų | 175 | 128.6 Ų | 128.6 | 82% | 0.818 | 69% | 0.694 | S | S | * | * | | | | -136.9 | 135.7 | 52.5 | -72 | 172.7 | -2.8 | 0 | 0 | 111.6 | | |
| 714 | N | 27.9 | Very low | 31 | Very low | 116 Ų | 116 | 130.4 Ų | 130.4 | 62% | 0.62 | 69% | 0.693 | S | S | * | * | | | | 61.1 | 107.7 | 66.8 | -72.8 | -17.8 | 0 | 0 | 0 | 111.8 | | |
| 715 | L | 29 | Very low | 31.3 | Very low | 150 Ų | 150 | 128.5 Ų | 128.5 | 79% | 0.785 | 69% | 0.685 | S | S | * | * | | | | 83.2 | 157.7 | 101.1 | -72.4 | 169.9 | 0 | 0 | 0 | 113.2 | | |
| 716 | P | 36.1 | Very low | 31.3 | Very low | 104 Ų | 104 | 127.5 Ų | 127.5 | 68% | 0.675 | 68% | 0.677 | S | S | * | * | | | cis | -114.1 | -146.2 | -38 | 29.3 | -6.3 | 0 | 0 | 0 | 107.1 | | |
| 717 | E | 36.8 | Very low | 31.6 | Very low | 159 Ų | 159 | 129 Ų | 129 | 74% | 0.743 | 67% | 0.673 | S | S | * | * | | | cis | -129.3 | 164.3 | -2.9 | -75.2 | -153.4 | 70.9 | 0 | 0 | 108.5 | | |
| 718 | N | 27.9 | Very low | 31.7 | Very low | 136 Ų | 136 | 129.6 Ų | 129.6 | 73% | 0.727 | 67% | 0.673 | S | S | * | * | | | cis | 76 | 153.7 | 30.4 | -74.1 | -22.1 | 0 | 0 | 0 | 115.8 | | |
| 719 | P | 41.7 | Very low | 31.9 | Very low | 98 Ų | 98 | 131.7 Ų | 131.7 | 64% | 0.636 | 68% | 0.683 | S | S | * | * | | | cis | -133.3 | -140.4 | -39.6 | 37.4 | -21.1 | 0 | 0 | 0 | 111.4 | | |
| 720 | V | 34.3 | Very low | 32 | Very low | 120 Ų | 120 | 130.1 Ų | 130.1 | 73% | 0.727 | 69% | 0.686 | S | S | * | * | | | trans | 90.4 | 125.8 | 164 | -174.5 | 0 | 0 | 0 | 0 | 117.2 | | |
| 721 | Y | 30.8 | Very low | 32.3 | Very low | 204 Ų | 204 | 129 Ų | 129 | 80% | 0.8 | 69% | 0.688 | S | S | * | * | | | cis | -152.1 | 165.9 | -13.4 | -134.4 | -113.6 | 0 | 0 | 0 | 112 | | |
| 722 | C | 27.4 | Very low | 32.4 | Very low | 94 Ų | 94 | 129.8 Ų | 129.8 | 64% | 0.635 | 69% | 0.693 | S | S | * | * | | | trans | -38.8 | 167.8 | 172.9 | -50.3 | 0 | 0 | 0 | 0 | 117.6 | | |
| 723 | S | 34.5 | Very low | 32.6 | Very low | 95 Ų | 95 | 132.8 Ų | 132.8 | 66% | 0.664 | 70% | 0.704 | S | S | * | * | | | cis | -170.3 | 142.2 | 48.3 | -50.1 | 0 | 0 | 0 | 0 | 116.5 | | |
| 724 | N | 34.5 | Very low | 32.5 | Very low | 119 Ų | 119 | 131.9 Ų | 131.9 | 64% | 0.636 | 71% | 0.705 | S | S | * | * | | | | 60.3 | 146.5 | 129.7 | -58.3 | 0.1 | 0 | 0 | 0 | 120.5 | | |
| 725 | F | 33.1 | Very low | 32.6 | Very low | 162 Ų | 162 | 133.5 Ų | 133.5 | 71% | 0.711 | 71% | 0.714 | S | S | * | * | | | cis | -171.7 | 174.1 | 0 | -95.9 | -12.3 | 0 | 0 | 0 | 105.8 | | |
| 726 | E | 33.1 | Very low | 33.1 | Very low | 121 Ų | 121 | 131.3 Ų | 131.3 | 57% | 0.565 | 71% | 0.708 | S | S | * | * | | | cis | -174.8 | -179.9 | -16.6 | -98.8 | -171.3 | 144.6 | 0 | 0 | 105.7 | | |
| 727 | K | 36.4 | Very low | 32.8 | Very low | 160 Ų | 160 | 133.1 Ų | 133.1 | 70% | 0.696 | 71% | 0.712 | S | S | * | * | | | cis | -167.2 | 174.2 | -3.9 | -115.4 | 167.6 | 178.2 | 135.5 | 0 | 106.1 | | |
| 728 | V | 32.3 | Very low | 32.5 | Very low | 110 Ų | 110 | 133.5 Ų | 133.5 | 67% | 0.667 | 71% | 0.714 | S | S | * | * | | | | -166.9 | 162.5 | -54.3 | 72.3 | 0 | 0 | 0 | 0 | 109 | | |
| 729 | T | 32.2 | Very low | 32.5 | Very low | 125 Ų | 125 | 131.6 Ų | 131.6 | 77% | 0.767 | 71% | 0.712 | S | S | * | * | | | trans | 66.1 | 161.7 | 166.5 | 56.7 | 0 | 0 | 0 | 0 | 120.5 | | |
| 730 | S | 29.7 | Very low | 32.1 | Very low | 102 Ų | 102 | 132.2 Ų | 132.2 | 71% | 0.713 | 71% | 0.714 | S | S | * | * | | | cis | 175.3 | 168 | -32.6 | 79.8 | 0 | 0 | 0 | 0 | 108.6 | | |
| 731 | V | 31.5 | Very low | 31.9 | Very low | 112 Ų | 112 | 133.4 Ų | 133.4 | 68% | 0.679 | 72% | 0.716 | S | S | * | * | | | cis | -164.4 | 157.2 | -6.2 | 88.2 | 0 | 0 | 0 | 0 | 110.9 | | |
| 732 | Q | 28.9 | Very low | 31.8 | Very low | 156 Ų | 156 | 130.7 Ų | 130.7 | 73% | 0.729 | 71% | 0.712 | S | S | * | * | | | trans | 63.4 | 166.5 | 163.9 | -68.9 | 176.6 | 18.7 | 0 | 0 | 117.8 | | |
| 733 | Q | 33.5 | Very low | 32 | Very low | 170 Ų | 170 | 135.9 Ų | 135.9 | 79% | 0.794 | 72% | 0.719 | S | S | * | * | | | cis | -147 | -171.7 | 16.9 | -144.8 | 157.8 | 64.2 | 0 | 0 | 112.4 | | |
| 734 | N | 30.7 | Very low | 31.9 | Very low | 156 Ų | 156 | 139.7 Ų | 139.7 | 83% | 0.834 | 72% | 0.723 | S | S | * | * | | | trans | -114.1 | 160.7 | -169.3 | -71.3 | -47.2 | 0 | 0 | 0 | 116 | | |
| 735 | N | 29.7 | Very low | 31.7 | Very low | 151 Ų | 151 | 142.1 Ų | 142.1 | 81% | 0.807 | 73% | 0.728 | S | S | * | * | | | trans | -20.5 | 164.6 | 156.1 | -67.7 | 6.3 | 0 | 0 | 0 | 118.8 | | |
| 736 | P | 40 | Very low | 31.6 | Very low | 103 Ų | 103 | 140.9 Ų | 140.9 | 67% | 0.669 | 73% | 0.729 | S | S | * | * | | | cis | -151.9 | -160.9 | 36.6 | 37.2 | -10.5 | 0 | 0 | 0 | 118.8 | | |
| 737 | D | 29.2 | Very low | 31.6 | Very low | 142 Ų | 142 | 138.9 Ų | 138.9 | 76% | 0.759 | 73% | 0.729 | S | S | * | * | | | trans | 75.8 | 150.8 | 156.7 | -57.7 | -23.8 | 0 | 0 | 0 | 120.6 | | |
| 738 | E | 30.7 | Very low | 31.4 | Very low | 167 Ų | 167 | 137.5 Ų | 137.5 | 78% | 0.78 | 73% | 0.729 | S | S | * | * | | | cis | -158 | 145.5 | -2.3 | -136.5 | -168.2 | 161.8 | 0 | 0 | 114.3 | | |
| 739 | S | 28.9 | Very low | 31.5 | Very low | 97 Ų | 97 | 138.4 Ų | 138.4 | 68% | 0.678 | 73% | 0.73 | S | S | * | * | | | trans | 62.7 | 166.8 | 149.7 | 98.9 | 0 | 0 | 0 | 0 | 120.3 | | |
| 740 | T | 32.7 | Very low | 31.4 | Very low | 111 Ų | 111 | 139.1 Ų | 139.1 | 68% | 0.681 | 73% | 0.729 | S | S | * | * | | | cis | -156.3 | 150.6 | -22.2 | 14.2 | 0 | 0 | 0 | 0 | 112.7 | | |
| 741 | N | 30.1 | Very low | 31.4 | Very low | 145 Ų | 145 | 138.3 Ų | 138.3 | 78% | 0.775 | 73% | 0.729 | S | S | * | * | | | trans | 50.2 | 127.5 | 151.9 | -60.7 | -40.3 | 0 | 0 | 0 | 121.3 | | |
| 742 | M | 29.7 | Very low | 31.2 | Very low | 146 Ų | 146 | 140.6 Ų | 140.6 | 72% | 0.719 | 74% | 0.736 | S | S | * | * | | | | -168.5 | 137.5 | 72.2 | -103.1 | -69.1 | -143.4 | 0 | 0 | 114.8 | | |
| 743 | R | 31.7 | Very low | 31.1 | Very low | 204 Ų | 204 | 138.3 Ų | 138.3 | 77% | 0.77 | 73% | 0.733 | S | S | * | * | | | trans | 61.9 | 116.3 | 160.2 | -62.7 | 177.5 | -173.2 | -175.3 | 0.5 | 117.6 | | |
| 744 | K | 32.2 | Very low | 31.1 | Very low | 174 Ų | 174 | 139 Ų | 139 | 76% | 0.757 | 73% | 0.733 | S | S | * | * | | | | 66.1 | 129.9 | 72.1 | -69.5 | -170.2 | 176.5 | -171 | 0 | 112.9 | | |
| 745 | F | 29.9 | Very low | 31.1 | Very low | 170 Ų | 170 | 138.8 Ų | 138.8 | 75% | 0.746 | 73% | 0.727 | S | S | * | * | | | cis | -137.5 | 155.9 | 22.4 | -90.3 | -88.3 | 0 | 0 | 0 | 114.8 | | |
| 746 | N | 30.1 | Very low | 31.1 | Very low | 136 Ų | 136 | 139 Ų | 139 | 73% | 0.727 | 73% | 0.725 | S | S | * | * | | | trans | 9.6 | 151.7 | 141.3 | -60.4 | 35.7 | 0 | 0 | 0 | 121.5 | | |
| 747 | S | 34.3 | Very low | 30.7 | Very low | 80 Ų | 80 | 141.6 Ų | 141.6 | 56% | 0.559 | 73% | 0.734 | S | S | * | * | | | cis | -170.4 | 169 | -16.8 | 55.3 | 0 | 0 | 0 | 0 | 110.4 | | |
| 748 | D | 32.2 | Very low | 30.6 | Very low | 130 Ų | 130 | 139.3 Ų | 139.3 | 70% | 0.695 | 74% | 0.735 | S | S | * | * | | | trans | 63.7 | 139.5 | 155.5 | -47.6 | -43.7 | 0 | 0 | 0 | 119.3 | | |
| 749 | N | 32.7 | Very low | 30.7 | Very low | 129 Ų | 129 | 138.7 Ų | 138.7 | 69% | 0.69 | 74% | 0.736 | S | S | * | * | | | cis | -155.7 | 170 | -9.2 | -125.1 | -43.7 | 0 | 0 | 0 | 112.2 | | |
| 750 | N | 31 | Very low | 30.8 | Very low | 140 Ų | 140 | 141.4 Ų | 141.4 | 75% | 0.749 | 74% | 0.738 | S | S | * | * | | | trans | -24.1 | 135.7 | 170 | -64.4 | -43.2 | 0 | 0 | 0 | 117.7 | | |
| 751 | A | 29.5 | Very low | 30.8 | Very low | 86 Ų | 86 | 145 Ų | 145 | 71% | 0.711 | 75% | 0.745 | S | S | * | * | | | | 66.8 | 148 | 83.5 | 0 | 0 | 0 | 0 | 0 | 114.4 | | |
| 752 | L | 28.6 | Very low | 30.9 | Very low | 159 Ų | 159 | 145.4 Ų | 145.4 | 83% | 0.832 | 75% | 0.747 | S | S | * | * | | | cis | -153.4 | 153.5 | 21.1 | -167.1 | 83.2 | 0 | 0 | 0 | 112.7 | | |
| 753 | V | 26.4 | Very low | 30.9 | Very low | 108 Ų | 108 | 144.1 Ų | 144.1 | 66% | 0.655 | 75% | 0.747 | S | S | * | * | | | trans | -11.4 | 133.3 | 158.7 | 178.7 | 0 | 0 | 0 | 0 | 119.2 | | |
| 754 | K | 33.2 | Very low | 30.9 | Very low | 184 Ų | 184 | 143.5 Ų | 143.5 | 80% | 0.8 | 75% | 0.753 | S | S | * | * | | | | -157 | 140.6 | 120.6 | -108.2 | 171.5 | -173.8 | -177 | 0 | 113.4 | | |
| 755 | Q | 30.2 | Very low | 30.8 | Very low | 153 Ų | 153 | 142.8 Ų | 142.8 | 72% | 0.715 | 76% | 0.757 | S | S | * | * | | | trans | -95 | 173.4 | -178.5 | -89.4 | 172 | -99.5 | 0 | 0 | 112.4 | | |
| 756 | M | 29.1 | Very low | 30.8 | Very low | 155 Ų | 155 | 144 Ų | 144 | 76% | 0.764 | 77% | 0.765 | S | S | * | * | | | trans | 67.7 | 151.4 | 165.3 | -83.4 | 102.6 | 173.1 | 0 | 0 | 116 | | |
| 757 | D | 32.8 | Very low | 30.9 | Very low | 158 Ų | 158 | 145.6 Ų | 145.6 | 85% | 0.845 | 77% | 0.772 | S | S | * | * | | | cis | -113.4 | 174.5 | -1.7 | -76.9 | -62.9 | 0 | 0 | 0 | 112.8 | | |
| 758 | A | 27.3 | Very low | 30.7 | Very low | 94 Ų | 94 | 151.4 Ų | 151.4 | 78% | 0.777 | 79% | 0.787 | S | S | * | * | | | trans | -144.6 | 119.9 | 179.3 | 0 | 0 | 0 | 0 | 0 | 112.8 | | |
| 759 | D | 31.4 | Very low | 30.6 | Very low | 153 Ų | 153 | 155.5 Ų | 155.5 | 82% | 0.818 | 80% | 0.799 | S | S | * | * | | | trans | -163.7 | 150.6 | 164.3 | -103.5 | -46.8 | 0 | 0 | 0 | 106.1 | | |
| 760 | H | 31.6 | Very low | 30.4 | Very low | 154 Ų | 154 | 152.6 Ų | 152.6 | 71% | 0.713 | 80% | 0.8 | S | S | * | * | | | cis | -143.2 | 148.8 | -0.4 | -157.6 | 72 | 0 | 0 | 0 | 107.6 | | |
| 761 | F | 33.1 | Very low | 30.4 | Very low | 187 Ų | 187 | 155.4 Ų | 155.4 | 82% | 0.82 | 81% | 0.805 | S | S | * | * | | | trans | -125.2 | 97.7 | -174.8 | -113.5 | -80.2 | 0 | 0 | 0 | 111.8 | V763 | F761-V763 HydrophobicContact CB-CG2 4.49Å; F761-V763 HydrophobicContact CD1-CG2 3.98Å; F761-V763 PolarHBondContact O-N 2.81Å; F761-V763 VanDerWaalsContact O-N 3.09Å |
| 762 | D | 32.4 | Very low | 30.4 | Very low | 154 Ų | 154 | 159.9 Ų | 159.9 | 82% | 0.824 | 81% | 0.811 | S | S | * | * | | | trans | -68.9 | 102.6 | 172.6 | -76.6 | -23.1 | 0 | 0 | 0 | 110.8 | | |
| 763 | V | 29.7 | Very low | 30.7 | Very low | 119 Ų | 119 | 158.7 Ų | 158.7 | 72% | 0.721 | 81% | 0.805 | S | S | * | * | | | trans | -132.4 | 58 | 175.2 | -165.8 | 0 | 0 | 0 | 0 | 111 | F761 | F761-V763 HydrophobicContact CB-CG2 4.49Å; F761-V763 HydrophobicContact CD1-CG2 3.98Å; F761-V763 PolarHBondContact O-N 2.81Å; F761-V763 VanDerWaalsContact O-N 3.09Å |
| 764 | E | 32.1 | Very low | 30.8 | Very low | 190 Ų | 190 | 160.1 Ų | 160.1 | 89% | 0.888 | 81% | 0.813 | S | S | * | * | | | trans | -123.9 | 98.6 | 169.1 | -69 | -152.4 | 129.9 | 0 | 0 | 111.9 | | |
| 765 | D | 28.9 | Very low | 30.8 | Very low | 160 Ų | 160 | 157.2 Ų | 157.2 | 86% | 0.856 | 82% | 0.816 | S | S | * | * | S | Bend | trans | -168.7 | 36.3 | 148.6 | -123.2 | -14.9 | 0 | 0 | 0 | 112.3 | | |
| 766 | Q | 30.1 | Very low | 30.9 | Very low | 195 Ų | 195 | 152.6 Ų | 152.6 | 91% | 0.911 | 81% | 0.81 | S | S | * | * | | | trans | -143.2 | 44.1 | -177 | -77.6 | -162 | 54.2 | 0 | 0 | 116.2 | | |
| 767 | I | 31.2 | Very low | 31 | Very low | 169 Ų | 169 | 152.6 Ų | 152.6 | 87% | 0.867 | 81% | 0.813 | S | S | * | * | | | trans | -134.5 | 107.3 | 162 | -54.4 | -179.7 | 0 | 0 | 0 | 111.6 | | |
| 768 | K | 31 | Very low | 31 | Very low | 202 Ų | 202 | 152.4 Ų | 152.4 | 88% | 0.878 | 81% | 0.812 | S | S | * | * | | | trans | -156.6 | 79.1 | 148.3 | -151.1 | 164.6 | -170.1 | 170.9 | 0 | 113.1 | | |
| 769 | F | 30 | Very low | 31.2 | Very low | 216 Ų | 216 | 159.5 Ų | 159.5 | 95% | 0.947 | 82% | 0.818 | S | S | * | * | | | trans | -159.1 | 98 | 149.9 | -114.7 | -66 | 0 | 0 | 0 | 114 | | |
| 770 | G | 28.8 | Very low | 31.8 | Very low | 68 Ų | 68 | 158.1 Ų | 158.1 | 70% | 0.701 | 82% | 0.818 | S | S | * | * | | | trans | 79 | 121.6 | 141.4 | 0 | 0 | 0 | 0 | 0 | 120.4 | | |
| 771 | K | 31 | Very low | 32.4 | Very low | 199 Ų | 199 | 156.2 Ų | 156.2 | 87% | 0.865 | 82% | 0.819 | S | S | * | * | | | | -178.1 | 134.4 | 124.3 | -105.3 | 171 | -176.4 | 178.1 | 0 | 113.6 | | |
| 772 | E | 29.4 | Very low | 32.2 | Very low | 180 Ų | 180 | 152.8 Ų | 152.8 | 84% | 0.841 | 82% | 0.817 | S | S | * | * | | | trans | -145.1 | 121.3 | 131.4 | -99.2 | 167.8 | 171.8 | 0 | 0 | 104.7 | | |
| 773 | I | 34.2 | Very low | 32.1 | Very low | 135 Ų | 135 | 152.1 Ų | 152.1 | 69% | 0.692 | 81% | 0.812 | S | S | * | * | | | | 70.6 | 96 | 68.7 | -61 | 166.2 | 0 | 0 | 0 | 109.4 | | |
| 774 | V | 30.3 | Very low | 32.2 | Very low | 137 Ų | 137 | 154.5 Ų | 154.5 | 83% | 0.83 | 82% | 0.815 | S | S | * | * | | | cis | 86 | 104.9 | 48.3 | 178.2 | 0 | 0 | 0 | 0 | 114 | | |
| 775 | S | 32.6 | Very low | 31.8 | Very low | 124 Ų | 124 | 151.7 Ų | 151.7 | 87% | 0.867 | 81% | 0.806 | S | S | * | * | | | trans | 164.2 | 143.1 | 136.9 | -167 | 0 | 0 | 0 | 0 | 109.4 | | |
| 776 | G | 31.9 | Very low | 31.7 | Very low | 56 Ų | 56 | 150 Ų | 150 | 58% | 0.577 | 80% | 0.801 | S | S | * | * | | | cis | 173.5 | 169 | -6.1 | 0 | 0 | 0 | 0 | 0 | 112.6 | | |
| 777 | N | 30.7 | Very low | 31.8 | Very low | 154 Ų | 154 | 146.5 Ų | 146.5 | 82% | 0.824 | 79% | 0.793 | S | S | * | * | | | trans | 66.3 | 153 | 169.2 | -54.3 | -11.5 | 0 | 0 | 0 | 116.7 | | |
| 778 | D | 33.5 | Very low | 31.6 | Very low | 155 Ų | 155 | 144.6 Ų | 144.6 | 83% | 0.829 | 79% | 0.789 | S | S | * | * | | | cis | -122.1 | -175.5 | 7.2 | -98.1 | -52.9 | 0 | 0 | 0 | 113.7 | | |
| 779 | R | 32.1 | Very low | 31.4 | Very low | 243 Ų | 243 | 139.2 Ų | 139.2 | 92% | 0.917 | 78% | 0.777 | S | S | * | * | | | trans | -127.8 | 116.9 | -166.6 | -148.2 | 178 | -168 | -159.4 | 2.8 | 114.8 | | |
| 780 | P | 44.2 | Very low | 31.3 | Very low | 124 Ų | 124 | 135.5 Ų | 135.5 | 81% | 0.805 | 77% | 0.772 | S | S | * | * | | | trans | -101.3 | 154.8 | -178.9 | 37 | -34.8 | 0 | 0 | 0 | 115.5 | | |
| 781 | P | 42.9 | Very low | 31.3 | Very low | 113 Ų | 113 | 136.9 Ų | 136.9 | 73% | 0.734 | 77% | 0.771 | S | S | * | * | | | trans | -132.9 | 162 | 175.8 | 42.2 | -28.9 | 0 | 0 | 0 | 117.3 | | |
| 782 | C | 29.1 | Very low | 31.4 | Very low | 116 Ų | 116 | 133.2 Ų | 133.2 | 78% | 0.784 | 77% | 0.766 | S | S | * | * | | | trans | 67.1 | 151.4 | 157.7 | -66.4 | 0 | 0 | 0 | 0 | 119.7 | | |
| 783 | I | 31 | Very low | 31.5 | Very low | 140 Ų | 140 | 132 Ų | 132 | 72% | 0.718 | 76% | 0.762 | S | S | * | * | | | cis | -161.1 | 135.3 | -23.7 | -118.5 | 166.9 | 0 | 0 | 0 | 108.8 | | |
| 784 | Q | 30.9 | Very low | 31.6 | Very low | 168 Ų | 168 | 130.8 Ų | 130.8 | 79% | 0.785 | 76% | 0.761 | S | S | * | * | | | trans | 59 | 166.3 | 167.2 | -69.2 | -165.2 | 1.6 | 0 | 0 | 117.8 | | |
| 785 | L | 25 | Very low | 31.7 | Very low | 132 Ų | 132 | 129.3 Ų | 129.3 | 69% | 0.691 | 76% | 0.757 | S | S | * | * | | | cis | -156.6 | 157.2 | -23.1 | -114.4 | 179.9 | 0 | 0 | 0 | 110.4 | | |
| 786 | T | 26.5 | Very low | 31.8 | Very low | 124 Ų | 124 | 128.6 Ų | 128.6 | 76% | 0.761 | 75% | 0.752 | S | S | * | * | | | trans | 65 | 157.1 | 151 | -50 | 0 | 0 | 0 | 0 | 120.6 | | |
| 787 | V | 32.6 | Very low | 32 | Very low | 122 Ų | 122 | 131.2 Ų | 131.2 | 74% | 0.739 | 76% | 0.757 | S | S | * | * | | | trans | -70.5 | 140.8 | -176.8 | 179.2 | 0 | 0 | 0 | 0 | 113.5 | | |
| 788 | T | 26.9 | Very low | 32.3 | Very low | 129 Ų | 129 | 129 Ų | 129 | 79% | 0.791 | 75% | 0.749 | S | S | * | * | | | trans | 140.6 | 154.6 | 148.5 | 46.4 | 0 | 0 | 0 | 0 | 109.2 | | |
| 789 | S | 26.8 | Very low | 32.2 | Very low | 88 Ų | 88 | 128.8 Ų | 128.8 | 62% | 0.615 | 75% | 0.745 | S | S | * | * | | | cis | -177.6 | 156.3 | -25.1 | -89.8 | 0 | 0 | 0 | 0 | 106.8 | | |
| 790 | T | 26.8 | Very low | 32.4 | Very low | 138 Ų | 138 | 125.3 Ų | 125.3 | 85% | 0.847 | 74% | 0.741 | S | S | * | * | | | trans | 62.7 | 157.9 | 159.6 | 44.4 | 0 | 0 | 0 | 0 | 117.7 | | |
| 791 | S | 29.2 | Very low | 31.9 | Very low | 97 Ų | 97 | 123 Ų | 123 | 68% | 0.678 | 73% | 0.732 | S | S | * | * | | | cis | -168.1 | -156.7 | -18.1 | 55.9 | 0 | 0 | 0 | 0 | 109.2 | | |
| 792 | T | 33.2 | Very low | 31.4 | Very low | 123 Ų | 123 | 123.6 Ų | 123.6 | 76% | 0.755 | 73% | 0.734 | S | S | * | * | | | trans | 92.1 | 135.8 | 170.2 | 72.1 | 0 | 0 | 0 | 0 | 117 | | |
| 793 | M | 32.1 | Very low | 31.5 | Very low | 153 Ų | 153 | 125.9 Ų | 125.9 | 75% | 0.754 | 74% | 0.735 | S | S | * | * | | | cis | -155.5 | 152.8 | -8.3 | -103.2 | -96 | 93 | 0 | 0 | 110.6 | | |
| 794 | T | 34.5 | Very low | 31.3 | Very low | 110 Ų | 110 | 123.3 Ų | 123.3 | 68% | 0.675 | 73% | 0.73 | S | S | * | * | | | trans | 43.4 | 127.7 | 152.2 | 54 | 0 | 0 | 0 | 0 | 120.8 | | |
| 795 | S | 33.5 | Very low | 31.4 | Very low | 106 Ų | 106 | 121.6 Ų | 121.6 | 74% | 0.741 | 73% | 0.73 | S | S | * | * | | | cis | -156.6 | -162.5 | -1.5 | -69.5 | 0 | 0 | 0 | 0 | 106.8 | | |
| 796 | S | 34.2 | Very low | 31.7 | Very low | 109 Ų | 109 | 124 Ų | 124 | 76% | 0.762 | 74% | 0.739 | S | S | * | * | | | cis | -157.9 | -175.5 | 6.1 | -143.9 | 0 | 0 | 0 | 0 | 107.4 | | |
| 797 | T | 36.6 | Very low | 32.2 | Very low | 112 Ų | 112 | 124 Ų | 124 | 69% | 0.687 | 74% | 0.74 | S | S | * | * | | | cis | -154.3 | -176.7 | 8.2 | -143 | 0 | 0 | 0 | 0 | 111.5 | | |
| 798 | T | 36 | Very low | 32.1 | Very low | 107 Ų | 107 | 126.3 Ų | 126.3 | 66% | 0.656 | 74% | 0.743 | S | S | * | * | | | trans | -45.2 | 128.4 | 168.2 | 1 | 0 | 0 | 0 | 0 | 112.8 | | |
| 799 | M | 32.6 | Very low | 32.2 | Very low | 150 Ų | 150 | 127.4 Ų | 127.4 | 74% | 0.739 | 74% | 0.739 | S | S | * | * | | | cis | -142.1 | 166.1 | 44.7 | -62 | -69.7 | -177.9 | 0 | 0 | 111.2 | | |
| 800 | M | 35.7 | Very low | 32.3 | Very low | 170 Ų | 170 | 127.6 Ų | 127.6 | 84% | 0.837 | 74% | 0.74 | S | S | * | * | | | cis | -157.2 | -167.5 | 2.8 | -135.6 | -179.5 | -177.4 | 0 | 0 | 113.3 | | |
| 801 | A | 33.2 | Very low | 32.5 | Very low | 75 Ų | 75 | 128.5 Ų | 128.5 | 62% | 0.62 | 74% | 0.739 | S | S | * | * | | | trans | -46.9 | 165.6 | 161.9 | 0 | 0 | 0 | 0 | 0 | 116.6 | | |
| 802 | T | 32.7 | Very low | 32.5 | Very low | 126 Ų | 126 | 130.6 Ų | 130.6 | 77% | 0.773 | 74% | 0.742 | S | S | * | * | | | cis | -170.6 | 159.3 | -12.6 | 35.2 | 0 | 0 | 0 | 0 | 107 | | |
| 803 | M | 31 | Very low | 32.4 | Very low | 165 Ų | 165 | 132.8 Ų | 132.8 | 81% | 0.813 | 75% | 0.746 | S | S | * | * | | | cis | -156.1 | 139 | -31.1 | -96.3 | -165.5 | 88.5 | 0 | 0 | 110.2 | | |
| 804 | S | 28.4 | Very low | 32.5 | Very low | 86 Ų | 86 | 131 Ų | 131 | 60% | 0.601 | 74% | 0.739 | S | S | * | * | | | | 57.9 | 140.7 | 129.9 | -159 | 0 | 0 | 0 | 0 | 124.4 | | |
| 805 | T | 32.6 | Very low | 32.4 | Very low | 131 Ų | 131 | 132 Ų | 132 | 80% | 0.804 | 74% | 0.74 | S | S | * | * | | | trans | 72.9 | 118.1 | 146.3 | 30.8 | 0 | 0 | 0 | 0 | 122.6 | | |
| 806 | Q | 31.7 | Very low | 32.2 | Very low | 184 Ų | 184 | 131.8 Ų | 131.8 | 86% | 0.86 | 74% | 0.739 | S | S | * | * | | | trans | -65.9 | 168.7 | 148.7 | -93.4 | -174.6 | -18.6 | 0 | 0 | 111.7 | | |
| 807 | P | 36.1 | Very low | 32.2 | Very low | 123 Ų | 123 | 132.3 Ų | 132.3 | 80% | 0.799 | 74% | 0.738 | S | S | * | * | | | cis | -139.3 | -136.4 | 37.3 | 42.2 | -19.9 | 0 | 0 | 0 | 116.4 | | |
| 808 | E | 30.1 | Very low | 32 | Very low | 170 Ų | 170 | 132.5 Ų | 132.5 | 79% | 0.794 | 74% | 0.739 | S | S | * | * | | | trans | -92.6 | 169.4 | -148.3 | -53.8 | -174.7 | 139.7 | 0 | 0 | 118.2 | | |
| 809 | H | 30.3 | Very low | 31.7 | Very low | 153 Ų | 153 | 134.2 Ų | 134.2 | 71% | 0.708 | 74% | 0.743 | S | S | * | * | | | trans | 76.5 | 72.4 | 150.1 | -87.8 | -62.3 | 0 | 0 | 0 | 122.5 | | |
| 810 | S | 28.7 | Very low | 31.6 | Very low | 91 Ų | 91 | 133.4 Ų | 133.4 | 64% | 0.636 | 74% | 0.742 | S | S | * | * | | | | 43.6 | 108.7 | 117.4 | 66.7 | 0 | 0 | 0 | 0 | 122.4 | | |
| 811 | L | 29.6 | Very low | 31.3 | Very low | 157 Ų | 157 | 132.1 Ų | 132.1 | 82% | 0.822 | 74% | 0.737 | S | S | * | * | | | trans | -125 | 132.4 | 133.7 | -75.4 | 77.4 | 0 | 0 | 0 | 106.8 | | |
| 812 | L | 29.9 | Very low | 31.5 | Very low | 141 Ų | 141 | 134.8 Ų | 134.8 | 74% | 0.738 | 75% | 0.749 | S | S | * | * | | | | 84.9 | 86.7 | 54.6 | -92.3 | 168.3 | 0 | 0 | 0 | 116.1 | | |
| 813 | M | 32 | Very low | 31.4 | Very low | 170 Ų | 170 | 134.9 Ų | 134.9 | 84% | 0.837 | 75% | 0.749 | S | S | * | * | S | Bend | trans | -141.8 | 131.1 | 136 | -82.8 | -157.5 | 177.3 | 0 | 0 | 107 | | |
| 814 | N | 33.3 | Very low | 31.3 | Very low | 116 Ų | 116 | 132.3 Ų | 132.3 | 62% | 0.62 | 75% | 0.747 | S | S | * | * | S | Bend | cis | -143.7 | 141.9 | -6.1 | -82.7 | -44.9 | 0 | 0 | 0 | 110.6 | | |
| 815 | N | 32.3 | Very low | 31.7 | Very low | 129 Ų | 129 | 133.4 Ų | 133.4 | 69% | 0.69 | 75% | 0.752 | S | S | * | * | | | trans | 52.8 | 105.2 | 149.9 | -51.3 | -16.6 | 0 | 0 | 0 | 119 | | |
| 816 | S | 30.1 | Very low | 31.6 | Very low | 102 Ų | 102 | 134.7 Ų | 134.7 | 71% | 0.713 | 75% | 0.753 | S | S | * | * | | | | 93.3 | 135.4 | 91.7 | -65.6 | 0 | 0 | 0 | 0 | 113.3 | | |
| 817 | T | 33.1 | Very low | 31.4 | Very low | 121 Ų | 121 | 131.3 Ų | 131.3 | 74% | 0.742 | 75% | 0.745 | S | S | * | * | | | cis | -161.1 | 161.3 | 2.2 | 4.6 | 0 | 0 | 0 | 0 | 112 | | |
| 818 | T | 33.6 | Very low | 31 | Very low | 115 Ų | 115 | 135.4 Ų | 135.4 | 71% | 0.706 | 74% | 0.744 | S | S | * | * | | | trans | 60 | 109.9 | 152 | 53 | 0 | 0 | 0 | 0 | 123.2 | | |
| 819 | L | 29.9 | Very low | 30.8 | Very low | 143 Ų | 143 | 133.2 Ų | 133.2 | 75% | 0.749 | 74% | 0.738 | S | S | * | * | | | | 66.4 | 122 | 120.6 | -66.2 | 165.8 | 0 | 0 | 0 | 123.6 | | |
| 820 | N | 29.6 | Very low | 30.7 | Very low | 133 Ų | 133 | 132 Ų | 132 | 71% | 0.711 | 74% | 0.741 | S | S | * | * | | | trans | 78 | 137.7 | 132.2 | -72.1 | -2.8 | 0 | 0 | 0 | 123.5 | | |
| 821 | L | 28.7 | Very low | 30.7 | Very low | 143 Ų | 143 | 133.4 Ų | 133.4 | 75% | 0.749 | 75% | 0.747 | S | S | * | * | | | trans | 58 | 122.4 | 159.4 | -88 | 75.6 | 0 | 0 | 0 | 119.7 | | |
| 822 | P | 37.1 | Very low | 30.8 | Very low | 132 Ų | 132 | 131.3 Ų | 131.3 | 86% | 0.857 | 74% | 0.74 | S | S | * | * | | | trans | -104.1 | 99.9 | 155.3 | 34.7 | -24.7 | 0 | 0 | 0 | 111.3 | | |
| 823 | T | 31.2 | Very low | 30.9 | Very low | 128 Ų | 128 | 131 Ų | 131 | 79% | 0.785 | 74% | 0.738 | S | S | * | * | | | trans | -99.3 | 145.2 | 150.1 | 44.2 | 0 | 0 | 0 | 0 | 109.2 | | |
| 824 | S | 28.2 | Very low | 31 | Very low | 110 Ų | 110 | 128.8 Ų | 128.8 | 77% | 0.769 | 73% | 0.734 | S | S | * | * | | | trans | -73.3 | 175.9 | 179.6 | 56.6 | 0 | 0 | 0 | 0 | 112.3 | | |
| 825 | P | 37.8 | Very low | 31 | Very low | 109 Ų | 109 | 129 Ų | 129 | 71% | 0.708 | 74% | 0.735 | S | S | * | * | | | cis | -132.1 | -151.7 | -3.1 | 25.8 | 0.3 | 0 | 0 | 0 | 112.4 | | |
| 826 | I | 30.2 | Very low | 31.2 | Very low | 158 Ų | 158 | 128.9 Ų | 128.9 | 81% | 0.81 | 74% | 0.735 | S | S | * | * | | | trans | 95.5 | 143.9 | 157.9 | -57.2 | 175.1 | 0 | 0 | 0 | 116.9 | | |
| 827 | T | 28.6 | Very low | 31.3 | Very low | 113 Ų | 113 | 130.6 Ų | 130.6 | 69% | 0.693 | 74% | 0.736 | S | S | * | * | | | trans | -102.1 | 150 | -157.4 | 50.4 | 0 | 0 | 0 | 0 | 115.1 | | |
| 828 | R | 26.7 | Very low | 31.4 | Very low | 210 Ų | 210 | 130.6 Ų | 130.6 | 79% | 0.792 | 74% | 0.736 | S | S | * | * | | | trans | 80.3 | 131.2 | 132.7 | -86.3 | -178.6 | 169.6 | 164.9 | -1.5 | 122 | | |
| 829 | N | 26.2 | Very low | 31.2 | Very low | 124 Ų | 124 | 131.8 Ų | 131.8 | 66% | 0.663 | 74% | 0.737 | S | S | * | * | | | | 85.2 | 168.5 | 129.6 | -70.2 | 6 | 0 | 0 | 0 | 120.7 | | |
| 830 | T | 27.9 | Very low | 31.5 | Very low | 126 Ų | 126 | 131.7 Ų | 131.7 | 77% | 0.773 | 74% | 0.736 | S | S | * | * | | | trans | 91.8 | 136.8 | 160.1 | 73.8 | 0 | 0 | 0 | 0 | 116 | | |
| 831 | T | 29.2 | Very low | 31.4 | Very low | 122 Ų | 122 | 132 Ų | 132 | 75% | 0.748 | 74% | 0.738 | S | S | * | * | | | cis | -151.3 | -174.8 | -14.7 | 11.5 | 0 | 0 | 0 | 0 | 107.7 | | |
| 832 | T | 31.9 | Very low | 31.3 | Very low | 113 Ų | 113 | 130 Ų | 130 | 69% | 0.693 | 74% | 0.736 | S | S | * | * | | | | 173.5 | 157.3 | 63.3 | 41.5 | 0 | 0 | 0 | 0 | 107.7 | | |
| 833 | I | 32 | Very low | 31.2 | Very low | 133 Ų | 133 | 131.9 Ų | 131.9 | 68% | 0.682 | 73% | 0.733 | S | S | * | * | | | cis | -158.4 | 149.8 | -4 | -114.5 | 162.2 | 0 | 0 | 0 | 108.9 | | |
| 834 | T | 32.8 | Very low | 31.1 | Very low | 124 Ų | 124 | 132.1 Ų | 132.1 | 76% | 0.761 | 73% | 0.729 | S | S | * | * | | | trans | 160.4 | 130.7 | 139.8 | 35.7 | 0 | 0 | 0 | 0 | 108.2 | | |
| 835 | N | 33.6 | Very low | 31.1 | Very low | 121 Ų | 121 | 133.9 Ų | 133.9 | 65% | 0.647 | 73% | 0.729 | S | S | * | * | | | cis | -151.5 | 146.7 | -9.9 | -112.3 | -10.5 | 0 | 0 | 0 | 110.8 | | |
| 836 | N | 37.1 | Very low | 30.6 | Very low | 126 Ų | 126 | 133.1 Ų | 133.1 | 67% | 0.674 | 73% | 0.726 | S | S | * | * | | | trans | 61.4 | 120.4 | 161.3 | -55.7 | -25.4 | 0 | 0 | 0 | 118.5 | | |
| 837 | N | 33.2 | Very low | 30.7 | Very low | 139 Ų | 139 | 130.2 Ų | 130.2 | 74% | 0.743 | 72% | 0.72 | S | S | * | * | | | | 74.6 | 137.3 | 53.7 | -61.7 | -18 | 0 | 0 | 0 | 112.9 | | |
| 838 | T | 33.3 | Very low | 30.7 | Very low | 120 Ų | 120 | 132 Ų | 132 | 74% | 0.736 | 73% | 0.725 | S | S | * | * | | | cis | -170.7 | -169.5 | -12.2 | 33.3 | 0 | 0 | 0 | 0 | 106.6 | | |
| 839 | L | 31 | Very low | 31.1 | Very low | 141 Ų | 141 | 129 Ų | 129 | 74% | 0.738 | 72% | 0.723 | S | S | * | * | | | cis | -166.3 | -170.7 | 6 | -133.8 | 168.7 | 0 | 0 | 0 | 109.2 | | |
| 840 | I | 35.1 | Very low | 31.4 | Very low | 141 Ų | 141 | 129.6 Ų | 129.6 | 72% | 0.723 | 73% | 0.726 | S | S | * | * | | | trans | 75.1 | 95.9 | 156.8 | -61 | 148.3 | 0 | 0 | 0 | 120.2 | | |
| 841 | N | 28.7 | Very low | 31.7 | Very low | 139 Ų | 139 | 130.1 Ų | 130.1 | 74% | 0.743 | 72% | 0.724 | S | S | * | * | | | | 19.6 | 130.6 | 125.1 | -57.2 | -10.1 | 0 | 0 | 0 | 123.3 | | |
| 842 | S | 26.8 | Very low | 31.9 | Very low | 101 Ų | 101 | 130.1 Ų | 130.1 | 71% | 0.706 | 72% | 0.72 | S | S | * | * | | | trans | 59.7 | 126.5 | 131.3 | 70.2 | 0 | 0 | 0 | 0 | 122.2 | | |
| 843 | Q | 33.2 | Very low | 32.1 | Very low | 171 Ų | 171 | 129.2 Ų | 129.2 | 80% | 0.799 | 72% | 0.718 | S | S | * | * | | | | 168.4 | 151.4 | 110.2 | -90.4 | -173.7 | 15.4 | 0 | 0 | 113.9 | | |
| 844 | L | 30.6 | Very low | 32.2 | Very low | 134 Ų | 134 | 129.9 Ų | 129.9 | 70% | 0.702 | 72% | 0.723 | S | S | * | * | | | trans | 38.7 | 121.1 | 151.2 | -79.6 | 86 | 0 | 0 | 0 | 123.9 | | |
| 845 | L | 28.4 | Very low | 32.1 | Very low | 146 Ų | 146 | 130.1 Ų | 130.1 | 76% | 0.764 | 72% | 0.719 | S | S | * | * | | | | 54.2 | 121.1 | 122 | -89 | 71.8 | 0 | 0 | 0 | 123.3 | | |
| 846 | S | 27.1 | Very low | 32 | Very low | 94 Ų | 94 | 130.9 Ų | 130.9 | 66% | 0.657 | 72% | 0.719 | S | S | * | * | | | | 82.5 | 131.8 | 120.5 | -63.1 | 0 | 0 | 0 | 0 | 123 | | |
| 847 | S | 30.8 | Very low | 31.8 | Very low | 97 Ų | 97 | 131.7 Ų | 131.7 | 68% | 0.678 | 72% | 0.718 | S | S | * | * | | | trans | 63.6 | 144.6 | 141.2 | 55.1 | 0 | 0 | 0 | 0 | 119.9 | | |
| 848 | D | 28.5 | Very low | 31.4 | Very low | 151 Ų | 151 | 131.2 Ų | 131.2 | 81% | 0.807 | 72% | 0.716 | S | S | * | * | | | cis | -167.6 | -166 | -11.5 | -99.6 | -28.9 | 0 | 0 | 0 | 107.5 | | |
| 849 | I | 36.8 | Very low | 31.2 | Very low | 146 Ų | 146 | 131.9 Ų | 131.9 | 75% | 0.749 | 71% | 0.71 | S | S | * | * | | | trans | 98.6 | 96.7 | 160.8 | -52.7 | 170.8 | 0 | 0 | 0 | 116.1 | | |
| 850 | N | 32 | Very low | 30.9 | Very low | 136 Ų | 136 | 134.3 Ų | 134.3 | 73% | 0.727 | 71% | 0.71 | S | S | * | * | | | | 42.2 | 134.8 | 127 | -45 | -5.1 | 0 | 0 | 0 | 119.6 | | |
| 851 | N | 33.4 | Very low | 30.7 | Very low | 137 Ų | 137 | 136.1 Ų | 136.1 | 73% | 0.733 | 71% | 0.713 | S | S | * | * | | | cis | -157.4 | -173.7 | 0.1 | -117.5 | 37.3 | 0 | 0 | 0 | 107.1 | | |
| 852 | D | 33 | Very low | 30.7 | Very low | 122 Ų | 122 | 135.7 Ų | 135.7 | 65% | 0.652 | 71% | 0.711 | S | S | * | * | | | cis | -138.7 | -175 | 13.5 | -140.9 | -118 | 0 | 0 | 0 | 106.9 | | |
| 853 | S | 37.6 | Very low | 30.7 | Very low | 94 Ų | 94 | 137.5 Ų | 137.5 | 66% | 0.657 | 71% | 0.712 | S | S | * | * | | | cis | -152.5 | -159.6 | 11.4 | -159.3 | 0 | 0 | 0 | 0 | 110.7 | | |
| 854 | L | 32.9 | Very low | 30.5 | Very low | 148 Ų | 148 | 136.8 Ų | 136.8 | 78% | 0.775 | 71% | 0.708 | S | S | * | * | | | trans | -83.4 | 148.1 | 177.9 | -80.5 | 72.8 | 0 | 0 | 0 | 112.5 | | |
| 855 | N | 31.5 | Very low | 30.4 | Very low | 128 Ų | 128 | 136.4 Ų | 136.4 | 68% | 0.684 | 71% | 0.706 | S | S | * | * | | | cis | 72.3 | 140 | 49.6 | -90.8 | -1.6 | 0 | 0 | 0 | 114.1 | | |
| 856 | H | 31.4 | Very low | 30.5 | Very low | 138 Ų | 138 | 137.6 Ų | 137.6 | 64% | 0.639 | 71% | 0.712 | S | S | * | * | | | cis | -172.3 | 166.6 | -9.2 | -138.9 | -4 | 0 | 0 | 0 | 110.8 | | |
| 857 | Q | 31.7 | Very low | 30.5 | Very low | 143 Ų | 143 | 139.7 Ų | 139.7 | 67% | 0.668 | 72% | 0.716 | S | S | * | * | | | trans | 63.5 | 165.4 | 146 | -74.1 | 177.7 | 27.8 | 0 | 0 | 120.2 | | |
| 858 | N | 26.7 | Very low | 30.6 | Very low | 129 Ų | 129 | 140.3 Ų | 140.3 | 69% | 0.69 | 72% | 0.72 | S | S | * | * | | | cis | -160.2 | 163.3 | -39.1 | -112.6 | 7.5 | 0 | 0 | 0 | 110.9 | | |
| 859 | E | 27.3 | Very low | 30.7 | Very low | 133 Ų | 133 | 139.9 Ų | 139.9 | 62% | 0.621 | 72% | 0.718 | S | S | * | * | | | trans | 37.8 | 135.2 | 151.9 | -66.3 | -157.8 | -164.4 | 0 | 0 | 124.7 | | |
| 860 | R | 26.4 | Very low | 30.5 | Very low | 192 Ų | 192 | 141 Ų | 141 | 73% | 0.725 | 73% | 0.726 | S | S | * | * | | | trans | 44.6 | 116.8 | 138.8 | -61.9 | 176.9 | 166.5 | 134.2 | -12.3 | 120.4 | | |
| 861 | F | 29.3 | Very low | 30.3 | Very low | 179 Ų | 179 | 138.9 Ų | 138.9 | 79% | 0.785 | 72% | 0.721 | S | S | * | * | | | | 178.6 | 159.7 | 92.3 | -106.6 | -75.2 | 0 | 0 | 0 | 113.3 | | |
| 862 | N | 29.1 | Very low | 30.3 | Very low | 131 Ų | 131 | 143.4 Ų | 143.4 | 70% | 0.701 | 73% | 0.728 | S | S | * | * | | | trans | 33.8 | 111.4 | 156.4 | -66.8 | -13.1 | 0 | 0 | 0 | 122.6 | | |
| 863 | N | 27.8 | Very low | 30.2 | Very low | 139 Ų | 139 | 144.9 Ų | 144.9 | 74% | 0.743 | 73% | 0.734 | S | S | * | * | | | | 38.2 | 137.8 | 119.4 | -68.2 | 5.4 | 0 | 0 | 0 | 123.8 | | |
| 864 | H | 28.6 | Very low | 29.6 | Very low | 155 Ų | 155 | 145.9 Ų | 145.9 | 72% | 0.718 | 74% | 0.74 | S | S | * | * | | | trans | 91.4 | 113.8 | 146.3 | -78.3 | -60.8 | 0 | 0 | 0 | 121.9 | | |
| 865 | I | 27.7 | Very low | 29.5 | Very low | 127 Ų | 127 | 146 Ų | 146 | 65% | 0.651 | 74% | 0.741 | S | S | * | * | | | trans | 74.6 | 111.3 | 136.1 | -60 | 164.8 | 0 | 0 | 0 | 117.8 | | |
| 866 | L | 31.5 | Very low | 29.2 | Very low | 171 Ų | 171 | 146 Ų | 146 | 90% | 0.895 | 74% | 0.741 | S | S | * | * | | | | -154.4 | 134.8 | 106.3 | -104.8 | 172 | 0 | 0 | 0 | 111.2 | | |
| 867 | D | 26 | Very low | 29 | Very low | 138 Ų | 138 | 146.6 Ų | 146.6 | 74% | 0.738 | 75% | 0.749 | S | S | * | * | | | trans | -86.2 | 155.9 | -179.8 | -68.5 | -76.5 | 0 | 0 | 0 | 113 | | |
| 868 | S | 33.7 | Very low | 28.9 | Very low | 109 Ų | 109 | 144.6 Ų | 144.6 | 76% | 0.762 | 75% | 0.751 | S | S | * | * | | | trans | -161.6 | 92.7 | 153.5 | -85.5 | 0 | 0 | 0 | 0 | 113.4 | | |
| 869 | N | 30.3 | Very low | 29 | Very low | 143 Ų | 143 | 149 Ų | 149 | 77% | 0.765 | 76% | 0.764 | S | S | * | * | | | trans | 47.5 | 114.2 | 139.6 | -56.4 | -35.5 | 0 | 0 | 0 | 120.3 | | |
| 870 | N | 31.9 | Very low | 29.3 | Very low | 170 Ų | 170 | 148.5 Ų | 148.5 | 91% | 0.909 | 77% | 0.771 | S | S | * | * | | | | -159.8 | 156.5 | 107.6 | -111.6 | -53.5 | 0 | 0 | 0 | 114 | | |
| 871 | S | 28.8 | Very low | 29.4 | Very low | 90 Ų | 90 | 143.7 Ų | 143.7 | 63% | 0.629 | 77% | 0.772 | S | S | * | * | | | trans | -105.9 | 148.7 | -168.8 | 60.2 | 0 | 0 | 0 | 0 | 114.8 | | |
| 872 | R | 32.5 | Very low | 29.5 | Very low | 232 Ų | 232 | 146.8 Ų | 146.8 | 88% | 0.875 | 78% | 0.78 | S | S | * | * | | | trans | -164.6 | 119.9 | 140.3 | -99.3 | 145.6 | -163.1 | -135.7 | 3 | 107.9 | | |
| 873 | I | 32.2 | Very low | 29.5 | Very low | 154 Ų | 154 | 147.9 Ų | 147.9 | 79% | 0.79 | 78% | 0.779 | S | S | * | * | | | | 72.7 | 126.2 | 75.9 | -67.9 | 170 | 0 | 0 | 0 | 111.8 | | |
| 874 | C | 24.5 | Very low | 29.6 | Very low | 114 Ų | 114 | 151.8 Ų | 151.8 | 77% | 0.77 | 79% | 0.785 | S | S | * | * | | | trans | -63.8 | 147.7 | -176.7 | -46.1 | 0 | 0 | 0 | 0 | 112.8 | | |
| 875 | N | 30.2 | Very low | 30.2 | Very low | 150 Ų | 150 | 150.3 Ų | 150.3 | 80% | 0.802 | 79% | 0.789 | S | S | * | * | | | | -159 | 163.3 | 129.7 | -118.7 | -37.5 | 0 | 0 | 0 | 115 | | |
| 876 | N | 26.8 | Very low | 30.2 | Very low | 129 Ų | 129 | 148 Ų | 148 | 69% | 0.69 | 78% | 0.784 | S | S | * | * | | | trans | -63.8 | 170.8 | -168.9 | -58.6 | -52.5 | 0 | 0 | 0 | 117.1 | | |
| 877 | N | 26.9 | Very low | 30.4 | Very low | 151 Ų | 151 | 149 Ų | 149 | 81% | 0.807 | 78% | 0.784 | S | S | * | * | | | trans | 91.2 | 148.1 | 151.6 | -62.4 | -25.8 | 0 | 0 | 0 | 120 | | |
| 878 | S | 28 | Very low | 30.6 | Very low | 101 Ų | 101 | 146.9 Ų | 146.9 | 71% | 0.706 | 78% | 0.78 | S | S | * | * | | | trans | 53.5 | 100.3 | 172.1 | 55.5 | 0 | 0 | 0 | 0 | 118 | | |
| 879 | F | 30.6 | Very low | 30.6 | Very low | 220 Ų | 220 | 149 Ų | 149 | 97% | 0.965 | 78% | 0.781 | S | S | * | * | | | trans | -126.5 | 108.8 | 136.8 | -113 | -84.5 | 0 | 0 | 0 | 109.4 | | |
| 880 | T | 32.3 | Very low | 30.7 | Very low | 124 Ų | 124 | 152.4 Ų | 152.4 | 76% | 0.761 | 79% | 0.785 | S | S | * | * | | | trans | -90.5 | 152.8 | -179.4 | 38.2 | 0 | 0 | 0 | 0 | 111.9 | | |
| 881 | A | 29.7 | Very low | 30.6 | Very low | 91 Ų | 91 | 148.3 Ų | 148.3 | 75% | 0.752 | 78% | 0.775 | S | S | * | * | | | trans | 24.5 | 117.4 | 155.7 | 0 | 0 | 0 | 0 | 0 | 119.1 | K883 | A881-K883 PolarHBondContact O-N 3.2Š|
| 882 | Y | 30.2 | Very low | 30.8 | Very low | 244 Ų | 244 | 148.8 Ų | 148.8 | 96% | 0.957 | 78% | 0.778 | S | S | * | * | P | Polyproline II helix | trans | -58 | 128.2 | 162 | -96.6 | -89.3 | 0 | 0 | 0 | 111.2 | | |
| 883 | K | 30.4 | Very low | 30.7 | Very low | 154 Ų | 154 | 145.3 Ų | 145.3 | 67% | 0.67 | 78% | 0.777 | S | S | * | * | P | Polyproline II helix | trans | -92.3 | 123.2 | -166.1 | 176.9 | 177.7 | 179.9 | 179.2 | 0 | 111.8 | A881 S886 | A881-K883 PolarHBondContact O-N 3.2Å; K883-S886 WeakPolarHBondContact CE-OG 3.35Å; K883-S886 PolarHBondContact NZ-OG 2.91Å |
| 884 | Y | 28.2 | Very low | 30.6 | Very low | 221 Ų | 221 | 144.1 Ų | 144.1 | 87% | 0.867 | 78% | 0.781 | S | S | * | * | P | Polyproline II helix | trans | -80.9 | 150 | 152.4 | -89 | -91.1 | 0 | 0 | 0 | 109.4 | | |
| 885 | P | 41.7 | Very low | 31.1 | Very low | 124 Ų | 124 | 147.9 Ų | 147.9 | 81% | 0.805 | 79% | 0.787 | S | S | * | * | P | Polyproline II helix | trans | -73.3 | 155 | -155.7 | 27.8 | -35.3 | 0 | 0 | 0 | 114.5 | | |
| 886 | S | 27.7 | Very low | 31 | Very low | 79 Ų | 79 | 149 Ų | 149 | 55% | 0.552 | 79% | 0.792 | S | S | * | * | | | trans | -122.1 | 120.9 | -165.7 | 57.9 | 0 | 0 | 0 | 0 | 113.1 | K883 | K883-S886 WeakPolarHBondContact CE-OG 3.35Å; K883-S886 PolarHBondContact NZ-OG 2.91Å |
| 887 | Q | 36.7 | Very low | 31.1 | Very low | 190 Ų | 190 | 151 Ų | 151 | 89% | 0.888 | 80% | 0.802 | S | S | * | * | | | trans | -148.6 | 149.9 | 158.4 | -73.1 | -174.9 | -14 | 0 | 0 | 108.2 | | |
| 888 | S | 29.7 | Very low | 31.6 | Very low | 94 Ų | 94 | 149.1 Ų | 149.1 | 66% | 0.657 | 80% | 0.798 | S | S | * | * | | | cis | 178.5 | 141.9 | -47.6 | 41.9 | 0 | 0 | 0 | 0 | 108.2 | | |
| 889 | I | 33.4 | Very low | 31.9 | Very low | 154 Ų | 154 | 150.2 Ų | 150.2 | 79% | 0.79 | 80% | 0.8 | S | S | * | * | | | trans | 79.1 | 114 | 160.9 | -62.5 | 157.2 | 0 | 0 | 0 | 117.9 | | |
| 890 | Y | 32.1 | Very low | 32 | Very low | 215 Ų | 215 | 148.4 Ų | 148.4 | 84% | 0.843 | 79% | 0.792 | S | S | * | * | | | trans | 45.9 | 111 | 145.3 | -78.4 | -103.1 | 0 | 0 | 0 | 123.3 | | |
| 891 | A | 29.2 | Very low | 31.8 | Very low | 84 Ų | 84 | 149.4 Ų | 149.4 | 69% | 0.694 | 79% | 0.793 | S | S | * | * | | | | 73.6 | 139.6 | 114.7 | 0 | 0 | 0 | 0 | 0 | 123.2 | | |
| 892 | S | 33.4 | Very low | 32.4 | Very low | 100 Ų | 100 | 149.6 Ų | 149.6 | 70% | 0.699 | 79% | 0.786 | S | S | * | * | | | trans | 82.6 | 92.4 | 149.5 | -59.2 | 0 | 0 | 0 | 0 | 121 | | |
| 893 | N | 31.2 | Very low | 32.5 | Very low | 159 Ų | 159 | 146.2 Ų | 146.2 | 85% | 0.85 | 78% | 0.779 | S | S | * | * | | | | 85.2 | 152 | 126.5 | -61.1 | -6.6 | 0 | 0 | 0 | 121.1 | | |
| 894 | C | 29.4 | Very low | 32.8 | Very low | 129 Ų | 129 | 146.2 Ų | 146.2 | 87% | 0.872 | 78% | 0.782 | S | S | * | * | P | Polyproline II helix | trans | -70.2 | 152.1 | -175.4 | -57.9 | 0 | 0 | 0 | 0 | 113.1 | | |
| 895 | Q | 34.7 | Very low | 32.9 | Very low | 192 Ų | 192 | 145.2 Ų | 145.2 | 90% | 0.897 | 78% | 0.776 | S | S | * | * | P | Polyproline II helix | trans | -74.7 | 139.7 | 178.7 | -63.7 | 172.8 | -48 | 0 | 0 | 112 | | |
| 896 | L | 28.6 | Very low | 32.5 | Very low | 173 Ų | 173 | 145.9 Ų | 145.9 | 91% | 0.906 | 77% | 0.769 | S | S | * | * | P | Polyproline II helix | trans | -97.6 | 165.3 | 156.9 | -77.7 | 172 | 0 | 0 | 0 | 110.2 | | |
| 897 | L | 29.3 | Very low | 32.8 | Very low | 171 Ų | 171 | 149 Ų | 149 | 90% | 0.895 | 77% | 0.774 | S | S | * | * | P | Polyproline II helix | trans | -71.1 | 151.6 | -176.6 | -68.5 | 162.6 | 0 | 0 | 0 | 112.7 | | |
| 898 | P | 36.3 | Very low | 32.7 | Very low | 113 Ų | 113 | 145.2 Ų | 145.2 | 73% | 0.734 | 76% | 0.764 | S | S | * | * | P | Polyproline II helix | trans | -97.8 | 161.2 | -175.9 | 37.9 | -35.6 | 0 | 0 | 0 | 114.4 | | |
| 899 | V | 34.2 | Very low | 32.7 | Very low | 124 Ų | 124 | 146.1 Ų | 146.1 | 75% | 0.752 | 77% | 0.766 | S | S | * | * | | | trans | 165.3 | 131.8 | 131.7 | 153.2 | 0 | 0 | 0 | 0 | 113.4 | | |
| 900 | F | 33.1 | Very low | 32.4 | Very low | 182 Ų | 182 | 144.4 Ų | 144.4 | 80% | 0.798 | 77% | 0.766 | S | S | * | * | | | trans | 1.4 | 130.4 | 159.1 | -60.6 | -101.4 | 0 | 0 | 0 | 120.6 | | |
| 901 | N | 28.3 | Very low | 32.4 | Very low | 144 Ų | 144 | 138.5 Ų | 138.5 | 77% | 0.77 | 76% | 0.757 | S | S | * | * | | | | 66.3 | 147.6 | 58.2 | -151.5 | 42.5 | 0 | 0 | 0 | 114.5 | | |
| 902 | P | 42.8 | Very low | 32.5 | Very low | 95 Ų | 95 | 141.6 Ų | 141.6 | 62% | 0.617 | 76% | 0.761 | S | S | * | * | | | | -136 | 178.6 | -64.5 | 41.2 | -26.1 | 0 | 0 | 0 | 114.8 | | |
| 903 | Q | 32.9 | Very low | 32.3 | Very low | 173 Ų | 173 | 145.2 Ų | 145.2 | 81% | 0.808 | 77% | 0.767 | S | S | * | * | | | trans | 166 | 134.3 | 131.5 | -95.9 | -174.3 | 4 | 0 | 0 | 116.1 | | |
| 904 | H | 34.9 | Very low | 32.2 | Very low | 155 Ų | 155 | 142.7 Ų | 142.7 | 72% | 0.718 | 76% | 0.762 | S | S | * | * | | | trans | 61.1 | 150 | 144.4 | -89 | -115.5 | 0 | 0 | 0 | 120.7 | | |
| 905 | R | 30.9 | Very low | 32.2 | Very low | 199 Ų | 199 | 145 Ų | 145 | 75% | 0.751 | 76% | 0.76 | S | S | * | * | | | cis | -166.6 | 165.3 | 3.7 | -154.3 | -178.9 | -166.5 | 170.7 | 1 | 111.7 | | |
| 906 | Q | 34.6 | Very low | 32.1 | Very low | 139 Ų | 139 | 147.5 Ų | 147.5 | 65% | 0.65 | 76% | 0.763 | S | S | * | * | | | trans | 73.4 | 146.3 | 162.3 | -55.3 | -170.8 | -17.6 | 0 | 0 | 116.4 | | |
| 907 | Q | 34 | Very low | 32 | Very low | 143 Ų | 143 | 143.9 Ų | 143.9 | 67% | 0.668 | 75% | 0.752 | S | S | * | * | | | cis | -172.6 | 156.2 | -7.4 | -112.5 | 151.3 | -143.6 | 0 | 0 | 108 | | |
| 908 | T | 33.2 | Very low | 31.9 | Very low | 111 Ų | 111 | 143 Ų | 143 | 68% | 0.681 | 75% | 0.747 | S | S | * | * | | | cis | -170.8 | 162 | -14.9 | 14.2 | 0 | 0 | 0 | 0 | 112.4 | | |
| 909 | T | 31.3 | Very low | 31.8 | Very low | 113 Ų | 113 | 144.2 Ų | 144.2 | 69% | 0.693 | 75% | 0.748 | S | S | * | * | | | trans | 61.8 | 120.4 | 146.7 | 53.5 | 0 | 0 | 0 | 0 | 124.6 | | |
| 910 | C | 26.8 | Very low | 32.1 | Very low | 118 Ų | 118 | 147.3 Ų | 147.3 | 80% | 0.797 | 75% | 0.754 | S | S | * | * | | | | 64.5 | 157.6 | 124.1 | -53.4 | 0 | 0 | 0 | 0 | 120.8 | | |
| 911 | S | 31.1 | Very low | 31.8 | Very low | 91 Ų | 91 | 145 Ų | 145 | 64% | 0.636 | 75% | 0.749 | S | S | * | * | | | cis | -162.7 | 159.3 | 2 | -128.4 | 0 | 0 | 0 | 0 | 114.5 | | |
| 912 | D | 30.9 | Very low | 32.1 | Very low | 149 Ų | 149 | 144 Ų | 144 | 80% | 0.797 | 75% | 0.751 | S | S | * | * | | | trans | 64.8 | -175 | 144 | -58 | -46.1 | 0 | 0 | 0 | 123.1 | | |
| 913 | Q | 29.5 | Very low | 31.4 | Very low | 177 Ų | 177 | 143.4 Ų | 143.4 | 83% | 0.827 | 75% | 0.746 | S | S | * | * | | | trans | -128.4 | 179.8 | -144.9 | -57.6 | -174.4 | -47.5 | 0 | 0 | 115.3 | | |
| 914 | S | 30 | Very low | 31.1 | Very low | 106 Ų | 106 | 141.8 Ų | 141.8 | 74% | 0.741 | 74% | 0.743 | S | S | * | * | | | trans | 71.9 | 113.2 | 154.2 | 53.9 | 0 | 0 | 0 | 0 | 120.1 | | |
| 915 | E | 29.5 | Very low | 31 | Very low | 176 Ų | 176 | 139.1 Ų | 139.1 | 82% | 0.822 | 74% | 0.742 | S | S | * | * | | | trans | 29.7 | 115.1 | 133.3 | -59 | -179 | 128.5 | 0 | 0 | 119.7 | | |
| 916 | Y | 32.4 | Very low | 30.9 | Very low | 245 Ų | 245 | 133.8 Ų | 133.8 | 96% | 0.961 | 73% | 0.734 | S | S | * | * | | | | -141.4 | 151.3 | 127.7 | -115.9 | -83.2 | 0 | 0 | 0 | 109.8 | | |
| 917 | S | 25.5 | Very low | 30.9 | Very low | 98 Ų | 98 | 133.9 Ų | 133.9 | 69% | 0.685 | 74% | 0.738 | S | S | * | * | | | trans | -109 | 178.4 | -167 | -51.3 | 0 | 0 | 0 | 0 | 114.1 | | |
| 918 | L | 27.6 | Very low | 30.7 | Very low | 151 Ų | 151 | 133 Ų | 133 | 79% | 0.791 | 74% | 0.738 | S | S | * | * | | | trans | 91.2 | 151.3 | 161.1 | -101.6 | 66.5 | 0 | 0 | 0 | 119.4 | | |
| 919 | D | 35.2 | Very low | 30.3 | Very low | 140 Ų | 140 | 134.5 Ų | 134.5 | 75% | 0.749 | 74% | 0.742 | S | S | * | * | | | trans | 54.7 | 105.8 | 166 | -53.3 | -20 | 0 | 0 | 0 | 117.5 | | |
| 920 | Q | 39 | Very low | 30.1 | Very low | 188 Ų | 188 | 135.1 Ų | 135.1 | 88% | 0.879 | 75% | 0.746 | S | S | * | * | | | cis | -136 | 138.4 | 26.5 | -66.2 | -178 | -4 | 0 | 0 | 114.5 | | |
| 921 | L | 27.2 | Very low | 30.3 | Very low | 133 Ų | 133 | 136.1 Ų | 136.1 | 70% | 0.696 | 74% | 0.741 | S | S | * | * | | | trans | -96.2 | 159.2 | 154.9 | -67.9 | 156.4 | 0 | 0 | 0 | 108.5 | T923 | L921-T923 HydrophobicContact CB-CG2 3.94Å; L921-T923 WeakPolarHBondContact CB-OG1 3.32Å; L921-T923 HydrophobicContact CD1-CG2 3.86Å; L921-T923 HydrophobicContact CD2-CG2 4.24Å; L921-T923 HydrophobicContact CG-CG2 4.23Å |
| 922 | P | 35.1 | Very low | 30.1 | Very low | 123 Ų | 123 | 140 Ų | 140 | 80% | 0.799 | 75% | 0.749 | S | S | * | * | | | | -123.7 | 139.7 | 102.1 | -0.2 | 21 | 0 | 0 | 0 | 110.7 | | |
| 923 | T | 27.4 | Very low | 30.2 | Very low | 83 Ų | 83 | 140.2 Ų | 140.2 | 51% | 0.509 | 75% | 0.749 | S | S | . | * | | | cis | 50.1 | 130.6 | 17.2 | 66.8 | 0 | 0 | 0 | 0 | 114.4 | L921 | L921-T923 HydrophobicContact CB-CG2 3.94Å; L921-T923 WeakPolarHBondContact CB-OG1 3.32Å; L921-T923 HydrophobicContact CD1-CG2 3.86Å; L921-T923 HydrophobicContact CD2-CG2 4.24Å; L921-T923 HydrophobicContact CG-CG2 4.23Å |
| 924 | N | 28.2 | Very low | 30 | Very low | 140 Ų | 140 | 137.3 Ų | 137.3 | 75% | 0.749 | 75% | 0.747 | S | S | * | * | | | cis | -142.2 | 178.8 | 27 | -76.2 | -79.8 | 0 | 0 | 0 | 108.9 | | |
| 925 | S | 32.5 | Very low | 30.5 | Very low | 99 Ų | 99 | 137.8 Ų | 137.8 | 69% | 0.692 | 75% | 0.748 | S | S | * | * | | | cis | -143 | 159.3 | 14.5 | 61.6 | 0 | 0 | 0 | 0 | 109.3 | | |
| 926 | S | 27.7 | Very low | 30.7 | Very low | 86 Ų | 86 | 138 Ų | 138 | 60% | 0.601 | 75% | 0.749 | S | S | * | * | | | cis | 61.9 | 141.4 | 45.4 | -143.5 | 0 | 0 | 0 | 0 | 110.9 | | |
| 927 | I | 35.6 | Very low | 30.6 | Very low | 141 Ų | 141 | 134.1 Ų | 134.1 | 72% | 0.723 | 74% | 0.744 | S | S | * | * | | | cis | -151 | 142.9 | 44.5 | -77.6 | 172.8 | 0 | 0 | 0 | 111.7 | | |
| 928 | N | 30.4 | Very low | 31.1 | Very low | 124 Ų | 124 | 134.6 Ų | 134.6 | 66% | 0.663 | 74% | 0.744 | S | S | * | * | | | trans | 19.2 | 133.7 | 148.8 | -45.9 | -2.7 | 0 | 0 | 0 | 122.5 | | |
| 929 | D | 24.4 | Very low | 31.5 | Very low | 144 Ų | 144 | 133 Ų | 133 | 77% | 0.77 | 74% | 0.741 | S | S | * | * | | | | 30.3 | 153 | 121.2 | -56.9 | -54.2 | 0 | 0 | 0 | 124 | | |
| 930 | T | 26.7 | Very low | 31.3 | Very low | 126 Ų | 126 | 132 Ų | 132 | 77% | 0.773 | 75% | 0.745 | S | S | * | * | | | trans | 96.2 | 141.7 | 151.5 | -17.6 | 0 | 0 | 0 | 0 | 117.7 | | |
| 931 | I | 31 | Very low | 30.7 | Very low | 138 Ų | 138 | 129.9 Ų | 129.9 | 71% | 0.708 | 74% | 0.74 | S | S | * | * | | | trans | 71.5 | 98.1 | 168 | -50 | -171.1 | 0 | 0 | 0 | 113.3 | | |
| 932 | Q | 27 | Very low | 30.8 | Very low | 172 Ų | 172 | 129.9 Ų | 129.9 | 80% | 0.804 | 74% | 0.74 | S | S | * | * | | | | 62.3 | 111.8 | 90.6 | -152.4 | 177.4 | 13.3 | 0 | 0 | 111.3 | | |
| 933 | I | 32.5 | Very low | 30.4 | Very low | 154 Ų | 154 | 129.1 Ų | 129.1 | 79% | 0.79 | 73% | 0.733 | S | S | * | * | | | | -167.9 | 141.2 | 97.7 | -87.3 | 151.8 | 0 | 0 | 0 | 110 | | |
| 934 | C | 26 | Very low | 30.6 | Very low | 117 Ų | 117 | 134.6 Ų | 134.6 | 79% | 0.791 | 75% | 0.75 | S | S | * | * | | | trans | -105.3 | 158.3 | 161.8 | -62.1 | 0 | 0 | 0 | 0 | 107.5 | | |
| 935 | P | 38.8 | Very low | 30.5 | Very low | 115 Ų | 115 | 132.7 Ų | 132.7 | 75% | 0.747 | 75% | 0.747 | S | S | * | * | | | cis | -141.7 | -161.4 | 46.7 | 33.6 | -6.7 | 0 | 0 | 0 | 112.2 | | |
| 936 | E | 34.1 | Very low | 30.3 | Very low | 182 Ų | 182 | 132.4 Ų | 132.4 | 85% | 0.85 | 75% | 0.746 | S | S | * | * | | | cis | -142.7 | -178.5 | 23.9 | -71 | -167.9 | 130.9 | 0 | 0 | 115.2 | | |
| 937 | L | 30.4 | Very low | 30.4 | Very low | 163 Ų | 163 | 139.8 Ų | 139.8 | 85% | 0.853 | 76% | 0.76 | S | S | * | * | | | trans | -73.5 | -177.2 | -179.1 | -96.9 | 65.6 | 0 | 0 | 0 | 114.4 | | |
| 938 | P | 36.8 | Very low | 30.1 | Very low | 107 Ų | 107 | 137.7 Ų | 137.7 | 70% | 0.695 | 76% | 0.758 | S | S | * | * | | | cis | -125.2 | -179.2 | -10.8 | 27.5 | -3.8 | 0 | 0 | 0 | 112.2 | | |
| 939 | T | 34.8 | Very low | 30.1 | Very low | 119 Ų | 119 | 137.6 Ų | 137.6 | 73% | 0.73 | 77% | 0.767 | S | S | * | * | | | cis | -158.4 | 152.4 | 41.9 | 37.4 | 0 | 0 | 0 | 0 | 113.8 | | |
| 940 | S | 32.5 | Very low | 30.5 | Very low | 117 Ų | 117 | 134.8 Ų | 134.8 | 82% | 0.818 | 76% | 0.764 | S | S | * | * | | | trans | 58.8 | 130.3 | 156 | 57 | 0 | 0 | 0 | 0 | 120.5 | | |
| 941 | N | 26.1 | Very low | 30.7 | Very low | 145 Ų | 145 | 136.1 Ų | 136.1 | 78% | 0.775 | 77% | 0.766 | S | S | * | * | | | trans | -148.6 | 156.1 | -176.6 | -142.3 | -7.1 | 0 | 0 | 0 | 110.4 | | |
| 942 | L | 28.1 | Very low | 30.7 | Very low | 132 Ų | 132 | 135.6 Ų | 135.6 | 69% | 0.691 | 77% | 0.77 | S | S | * | * | | | trans | 48.8 | 115.9 | 151.4 | -66 | 164.4 | 0 | 0 | 0 | 122.4 | | |
| 943 | T | 26.7 | Very low | 31 | Very low | 108 Ų | 108 | 133.7 Ų | 133.7 | 66% | 0.663 | 77% | 0.77 | S | S | * | * | | | trans | 59.2 | 130.6 | 130 | 68.2 | 0 | 0 | 0 | 0 | 122.3 | | |
| 944 | K | 32 | Very low | 30.7 | Very low | 197 Ų | 197 | 131 Ų | 131 | 86% | 0.857 | 77% | 0.765 | S | S | * | * | | | | 175.4 | 133.8 | 101.4 | -94.9 | 166.2 | -173.6 | 172.9 | 0 | 115.1 | | |
| 945 | S | 26 | Very low | 31.2 | Very low | 100 Ų | 100 | 133.2 Ų | 133.2 | 70% | 0.699 | 77% | 0.767 | S | S | * | * | | | trans | 45.2 | 119.1 | 138.5 | -156.6 | 0 | 0 | 0 | 0 | 123.2 | | |
| 946 | S | 28.3 | Very low | 30.7 | Very low | 94 Ų | 94 | 134.7 Ų | 134.7 | 66% | 0.657 | 77% | 0.769 | S | S | * | * | | | trans | 72.7 | 138.6 | 130.1 | 65.8 | 0 | 0 | 0 | 0 | 123.3 | | |
| 947 | R | 30.6 | Very low | 30.6 | Very low | 241 Ų | 241 | 135 Ų | 135 | 91% | 0.909 | 77% | 0.769 | S | S | * | * | | | trans | 73.1 | 152.1 | 163.3 | -65 | 175.3 | 178.5 | 173.9 | -1.8 | 117.4 | | |
| 948 | S | 29.7 | Very low | 30.5 | Very low | 97 Ų | 97 | 131.5 Ų | 131.5 | 68% | 0.678 | 76% | 0.757 | S | S | * | * | | | cis | -174.7 | 137.4 | -32.8 | 50.2 | 0 | 0 | 0 | 0 | 111.6 | | |
| 949 | S | 29.4 | Very low | 30.2 | Very low | 121 Ų | 121 | 133.2 Ų | 133.2 | 85% | 0.846 | 76% | 0.761 | S | S | * | * | | | trans | 58.3 | 114.6 | 149.4 | -48.6 | 0 | 0 | 0 | 0 | 122.6 | | |
| 950 | A | 33.5 | Very low | 30 | Very low | 86 Ų | 86 | 132 Ų | 132 | 71% | 0.711 | 76% | 0.758 | S | S | * | * | | | trans | 176.8 | 119.7 | 140.1 | 0 | 0 | 0 | 0 | 0 | 106.9 | | |
| 951 | D | 29.7 | Very low | 29.7 | Very low | 153 Ų | 153 | 133.7 Ų | 133.7 | 82% | 0.818 | 76% | 0.757 | S | S | * | * | | | | 55.4 | 115.1 | 76.6 | -59.1 | -43 | 0 | 0 | 0 | 111.7 | | |
| 952 | T | 31.4 | Very low | 30.1 | Very low | 128 Ų | 128 | 134.4 Ų | 134.4 | 79% | 0.785 | 76% | 0.76 | S | S | * | * | | | cis | -144.6 | 175.7 | 24.9 | 48.4 | 0 | 0 | 0 | 0 | 109.8 | | |
| 953 | V | 33.6 | Very low | 30.4 | Very low | 132 Ų | 132 | 135.2 Ų | 135.2 | 80% | 0.8 | 76% | 0.763 | S | S | * | * | | | cis | -157.9 | 156.4 | 47.3 | 177.1 | 0 | 0 | 0 | 0 | 110.4 | | |
| 954 | S | 27 | Very low | 30.3 | Very low | 98 Ų | 98 | 137 Ų | 137 | 69% | 0.685 | 77% | 0.768 | S | S | * | * | | | trans | -64 | 163.8 | 174.9 | -44.9 | 0 | 0 | 0 | 0 | 114.1 | | |
| 955 | I | 35 | Very low | 30.2 | Very low | 162 Ų | 162 | 134.4 Ų | 134.4 | 83% | 0.831 | 76% | 0.762 | S | S | * | * | | | | -163.4 | 149.9 | 87.1 | -88.2 | 159.4 | 0 | 0 | 0 | 110.4 | | |
| 956 | N | 29.3 | Very low | 30.4 | Very low | 147 Ų | 147 | 137.1 Ų | 137.1 | 79% | 0.786 | 76% | 0.763 | S | S | * | * | | | trans | -88.1 | 131.1 | 177.4 | -41.3 | -70.2 | 0 | 0 | 0 | 112.7 | | |
| 957 | H | 32.5 | Very low | 30.4 | Very low | 188 Ų | 188 | 137.3 Ų | 137.3 | 87% | 0.87 | 76% | 0.757 | S | S | * | * | | | | -159.7 | 168 | 126.6 | -126.5 | 70 | 0 | 0 | 0 | 113.2 | | |
| 958 | C | 27.2 | Very low | 30.6 | Very low | 89 Ų | 89 | 135.4 Ų | 135.4 | 60% | 0.601 | 76% | 0.755 | S | S | * | * | | | trans | -136.2 | 145.7 | -175.7 | 50.5 | 0 | 0 | 0 | 0 | 112 | | |
| 959 | N | 31 | Very low | 30.6 | Very low | 143 Ų | 143 | 135.3 Ų | 135.3 | 77% | 0.765 | 75% | 0.75 | S | S | * | * | | | trans | 145 | 140 | 137 | -72.2 | -27.1 | 0 | 0 | 0 | 113.3 | | |
| 960 | S | 29.6 | Very low | 30.8 | Very low | 95 Ų | 95 | 134.8 Ų | 134.8 | 66% | 0.664 | 75% | 0.746 | S | S | * | * | | | trans | 37.2 | 126.7 | 149.1 | 55.3 | 0 | 0 | 0 | 0 | 120.3 | | |
| 961 | D | 27.7 | Very low | 30.7 | Very low | 152 Ų | 152 | 138.1 Ų | 138.1 | 81% | 0.813 | 75% | 0.747 | S | S | * | * | | | cis | -156.7 | 157.9 | 2.5 | -76.7 | -45.7 | 0 | 0 | 0 | 109.1 | | |
| 962 | I | 34.2 | Very low | 30.6 | Very low | 160 Ų | 160 | 137.4 Ų | 137.4 | 82% | 0.821 | 75% | 0.753 | S | S | * | * | | | trans | -175.9 | 132.9 | 145.8 | -101.7 | 155.1 | 0 | 0 | 0 | 113.4 | | |
| 963 | I | 33.5 | Very low | 30.5 | Very low | 148 Ų | 148 | 136.2 Ų | 136.2 | 76% | 0.759 | 75% | 0.746 | S | S | * | * | | | trans | 22.2 | 101.4 | 149.3 | -44.2 | 178.4 | 0 | 0 | 0 | 119.9 | | |
| 964 | L | 25.4 | Very low | 30.6 | Very low | 147 Ų | 147 | 139.6 Ų | 139.6 | 77% | 0.77 | 75% | 0.752 | S | S | * | * | | | | 24 | 151 | 122.7 | -143.1 | 74.6 | 0 | 0 | 0 | 123 | | |
| 965 | I | 29.4 | Very low | 31 | Very low | 142 Ų | 142 | 143.8 Ų | 143.8 | 73% | 0.728 | 76% | 0.761 | S | S | * | * | | | trans | 64.5 | 145.3 | 166.3 | 30.9 | -177.1 | 0 | 0 | 0 | 116.8 | | |
| 966 | H | 31.3 | Very low | 30.7 | Very low | 157 Ų | 157 | 140.4 Ų | 140.4 | 73% | 0.727 | 75% | 0.752 | S | S | * | * | | | cis | -144.4 | 132.2 | 34.2 | -141.8 | -134.6 | 0 | 0 | 0 | 109.5 | | |
| 967 | N | 28.5 | Very low | 30.8 | Very low | 98 Ų | 98 | 140.2 Ų | 140.2 | 52% | 0.524 | 75% | 0.751 | S | S | . | * | | | | 81.7 | 131.8 | 65.6 | -169.6 | 16 | 0 | 0 | 0 | 115.5 | | |
| 968 | K | 33.8 | Very low | 30.7 | Very low | 200 Ų | 200 | 137.9 Ų | 137.9 | 87% | 0.87 | 74% | 0.74 | S | S | * | * | | | trans | -168.5 | 114.9 | 151.3 | -105.1 | 164.7 | -176.3 | 178.4 | 0 | 107.6 | | |
| 969 | V | 29.9 | Very low | 30.7 | Very low | 95 Ų | 95 | 145 Ų | 145 | 58% | 0.576 | 76% | 0.756 | S | S | * | * | | | cis | 82 | 108 | 49.7 | 177.8 | 0 | 0 | 0 | 0 | 113.7 | Q971 | V969-Q971 HydrophobicContact CG1-CG 4.43Š|
| 970 | S | 32.6 | Very low | 30.8 | Very low | 110 Ų | 110 | 144.5 Ų | 144.5 | 77% | 0.769 | 75% | 0.749 | S | S | * | * | | | trans | -165.8 | 101.1 | 136.9 | -87.8 | 0 | 0 | 0 | 0 | 107 | | |
| 971 | Q | 32.2 | Very low | 30.8 | Very low | 156 Ų | 156 | 147.5 Ų | 147.5 | 73% | 0.729 | 75% | 0.752 | S | S | * | * | | | | 75.7 | 106.4 | 83.3 | -76.9 | -172.8 | -1.7 | 0 | 0 | 115.1 | V969 | V969-Q971 HydrophobicContact CG1-CG 4.43Š|
| 972 | C | 26.5 | Very low | 31.1 | Very low | 138 Ų | 138 | 149.6 Ų | 149.6 | 93% | 0.932 | 75% | 0.754 | S | S | * | * | | | trans | -121.3 | 149.2 | 137.2 | -72.2 | 0 | 0 | 0 | 0 | 107.9 | | |
| 973 | T | 30.7 | Very low | 30.9 | Very low | 104 Ų | 104 | 146.8 Ų | 146.8 | 64% | 0.638 | 75% | 0.748 | S | S | * | * | | | trans | -126.1 | 136.4 | -165.8 | 50.6 | 0 | 0 | 0 | 0 | 112 | | |
| 974 | H | 34.8 | Very low | 31 | Very low | 202 Ų | 202 | 148.2 Ų | 148.2 | 94% | 0.935 | 75% | 0.752 | S | S | * | * | | | trans | -139.1 | 136.9 | 150.4 | -85 | -69.6 | 0 | 0 | 0 | 109.9 | | |
| 975 | Q | 34.9 | Very low | 31 | Very low | 187 Ų | 187 | 149.2 Ų | 149.2 | 87% | 0.874 | 76% | 0.757 | S | S | * | * | | | trans | -93.8 | 132.6 | -176.4 | -72.4 | 168.6 | -43.2 | 0 | 0 | 111.1 | | |
| 976 | S | 29.2 | Very low | 31.1 | Very low | 91 Ų | 91 | 150.7 Ų | 150.7 | 64% | 0.636 | 77% | 0.765 | S | S | * | * | | | | 48.9 | 121.2 | 122.4 | -162.5 | 0 | 0 | 0 | 0 | 119.7 | | |
| 977 | N | 31.4 | Very low | 30.9 | Very low | 142 Ų | 142 | 147.4 Ų | 147.4 | 76% | 0.759 | 76% | 0.76 | S | S | * | * | | | | -162.2 | 139.7 | 98.3 | -92.3 | -18.2 | 0 | 0 | 0 | 114.1 | | |
| 978 | H | 31.5 | Very low | 30.9 | Very low | 139 Ų | 139 | 149 Ų | 149 | 64% | 0.644 | 77% | 0.768 | S | S | * | * | | | trans | 17.7 | 126.4 | 156.4 | -74.4 | -95.5 | 0 | 0 | 0 | 120.9 | H980 | H978-H980 AromaticContact ND1-CD2 3.99Š|
| 979 | Y | 27.1 | Very low | 30.8 | Very low | 238 Ų | 238 | 146 Ų | 146 | 93% | 0.933 | 76% | 0.762 | S | S | * | * | | | | -141.6 | 160.3 | 101.4 | -114.2 | -81.4 | 0 | 0 | 0 | 111.1 | | |
| 980 | H | 32.5 | Very low | 30.7 | Very low | 134 Ų | 134 | 148.6 Ų | 148.6 | 62% | 0.62 | 78% | 0.778 | S | S | * | * | | | trans | -99.9 | 158.3 | -163.2 | -126.4 | -102 | 0 | 0 | 0 | 114.8 | H978 | H978-H980 AromaticContact ND1-CD2 3.99Š|
| 981 | Q | 29.8 | Very low | 30.4 | Very low | 158 Ų | 158 | 152 Ų | 152 | 74% | 0.738 | 78% | 0.782 | S | S | * | * | | | trans | -18.1 | 142.5 | 162.5 | -59.4 | 162.7 | -41.6 | 0 | 0 | 117.7 | | |
| 982 | K | 34 | Very low | 30.2 | Very low | 195 Ų | 195 | 149.2 Ų | 149.2 | 85% | 0.848 | 78% | 0.779 | S | S | * | * | | | | -148.9 | 121.7 | 103.6 | -157.2 | 171.3 | -174.9 | -179.8 | 0 | 112.2 | | |
| 983 | S | 28.8 | Very low | 30.4 | Very low | 101 Ų | 101 | 151 Ų | 151 | 71% | 0.706 | 78% | 0.776 | S | S | * | * | | | trans | -97.2 | 134.4 | 170.4 | 52.1 | 0 | 0 | 0 | 0 | 110.4 | | |
| 984 | Q | 35.5 | Very low | 30.2 | Very low | 179 Ų | 179 | 154.1 Ų | 154.1 | 84% | 0.836 | 79% | 0.789 | S | S | * | * | | | trans | -137.6 | 148.3 | 147.5 | -78.5 | -161.7 | -39.5 | 0 | 0 | 109.3 | | |
| 985 | L | 27.2 | Very low | 30 | Very low | 168 Ų | 168 | 153.4 Ų | 153.4 | 88% | 0.88 | 78% | 0.783 | S | S | * | * | | | trans | -87.5 | 149.4 | 178.6 | -50.3 | 97 | 0 | 0 | 0 | 109.7 | | |
| 986 | I | 31.6 | Very low | 29.5 | Very low | 172 Ų | 172 | 150.2 Ų | 150.2 | 88% | 0.882 | 78% | 0.781 | S | S | * | * | | | trans | -151.7 | 133.1 | 131 | -97.3 | 145.9 | 0 | 0 | 0 | 105.6 | | |
| 987 | S | 26.8 | Very low | 29.3 | Very low | 89 Ų | 89 | 155.5 Ų | 155.5 | 62% | 0.622 | 79% | 0.789 | S | S | * | * | | | trans | -81.5 | 156.6 | 173.2 | 52.3 | 0 | 0 | 0 | 0 | 110.4 | | |
| 988 | N | 27.1 | Very low | 29 | Very low | 132 Ų | 132 | 155.5 Ų | 155.5 | 71% | 0.706 | 79% | 0.789 | S | S | * | * | | | | -179.2 | 169.6 | 113.8 | -90 | 9.1 | 0 | 0 | 0 | 111.9 | | |
| 989 | D | 32.2 | Very low | 28.8 | Very low | 136 Ų | 136 | 155 Ų | 155 | 73% | 0.727 | 80% | 0.798 | S | S | * | * | | | trans | 64.7 | 62.3 | 158.1 | -48.8 | -22.3 | 0 | 0 | 0 | 118.3 | E991 | D989-E991 VanDerWaalsContact C-N 3.32Š|
| 990 | T | 29.1 | Very low | 28.9 | Very low | 149 Ų | 149 | 147.2 Ų | 147.2 | 91% | 0.914 | 78% | 0.778 | S | S | * | * | | | trans | -94.8 | 53.8 | 149.1 | 39.7 | 0 | 0 | 0 | 0 | 111.2 | S992 | T990-S992 PolarHBondContact O-N 3.17Š|
| 991 | E | 25.6 | Very low | 28.7 | Very low | 182 Ų | 182 | 147.4 Ų | 147.4 | 85% | 0.85 | 78% | 0.778 | S | S | * | * | | | trans | -91.5 | 81.3 | 174.7 | -72.9 | -146.5 | 136.9 | 0 | 0 | 112.7 | D989 | D989-E991 VanDerWaalsContact C-N 3.32Š|
| 992 | S | 28 | Very low | 28.9 | Very low | 98 Ų | 98 | 148.3 Ų | 148.3 | 69% | 0.685 | 78% | 0.775 | S | S | * | * | | | trans | -157.5 | 166.2 | 151 | 61.6 | 0 | 0 | 0 | 0 | 110.2 | T990 | T990-S992 PolarHBondContact O-N 3.17Š|
| 993 | M | 30.3 | Very low | 28.9 | Very low | 174 Ų | 174 | 139.1 Ų | 139.1 | 86% | 0.857 | 74% | 0.736 | S | S | * | * | | | trans | 71.1 | 44.5 | -177.7 | -50.1 | -56.6 | 174.1 | 0 | 0 | 116.8 | | |
| 994 | N | 27.2 | Very low | 29.3 | Very low | 170 Ų | 170 | 137 Ų | 137 | 91% | 0.909 | 72% | 0.719 | S | S | * | * | | | trans | -129.7 | 51.1 | 156.7 | -99.1 | -38 | 0 | 0 | 0 | 112.4 | S996 | N994-S996 PolarHBondContact O-N 3.26Š|
| 995 | K | 30.2 | Very low | 29.8 | Very low | 188 Ų | 188 | 131.7 Ų | 131.7 | 82% | 0.817 | 70% | 0.696 | S | S | * | * | | | trans | -74.3 | 116.2 | 159.2 | -88.2 | -173.3 | 173.9 | 179.7 | 0 | 108.2 | Y997 | K995-Y997 PolarHBondContact O-N 2.77Š|
| 996 | S | 24.7 | Very low | 30.6 | Very low | 119 Ų | 119 | 125.8 Ų | 125.8 | 83% | 0.832 | 67% | 0.667 | S | S | * | * | | | trans | -62.2 | 101.5 | 177.3 | -173.3 | 0 | 0 | 0 | 0 | 110.7 | N994 N998 | N994-S996 PolarHBondContact O-N 3.26Å; S996-N998 PolarHBondContact O-N 3.1Å |
| 997 | Y | 24.2 | Very low | 31 | Very low | 203 Ų | 203 | 120.4 Ų | 120.4 | 80% | 0.796 | 65% | 0.645 | S | S | * | * | | | trans | -69.3 | 107.4 | 170.7 | -94.4 | -92.4 | 0 | 0 | 0 | 108.7 | K995 P999 | K995-Y997 PolarHBondContact O-N 2.77Å; Y997-P999 WeakPolarHBondContact O-CD 3.39Å |
| 998 | N | 26 | Very low | 31.6 | Very low | 141 Ų | 141 | 121.6 Ų | 121.6 | 75% | 0.754 | 65% | 0.649 | S | S | * | * | | | trans | -76.6 | 103.7 | 177.3 | -153.4 | -27.6 | 0 | 0 | 0 | 108.8 | S996 S1000 | S996-N998 PolarHBondContact O-N 3.1Å; N998-S1000 PolarHBondContact O-N 3.12Å |
| 999 | P | 27.6 | Very low | 32.3 | Very low | 129 Ų | 129 | 118.2 Ų | 118.2 | 84% | 0.838 | 63% | 0.633 | S | S | * | * | | | trans | -90.8 | 50.7 | -159.3 | 37.3 | -32.6 | 0 | 0 | 0 | 111.3 | Y997 | Y997-P999 WeakPolarHBondContact O-CD 3.39Š|
| 1000 | S | 28.6 | Very low | 32.8 | Very low | 75 Ų | 75 | 118.3 Ų | 118.3 | 52% | 0.524 | 63% | 0.633 | S | S | . | * | | | trans | -150.6 | 92.6 | -175.1 | -173.2 | 0 | 0 | 0 | 0 | 110.6 | N998 | N998-S1000 PolarHBondContact O-N 3.12Š|
| 1001 | F | 28.9 | Very low | 33.7 | Very low | 138 Ų | 138 | 117.4 Ų | 117.4 | 61% | 0.605 | 62% | 0.618 | S | S | * | * | | | trans | -173.1 | 49.6 | 142.3 | -73.6 | -38.3 | 0 | 0 | 0 | 111.2 | F1142 | F1001-F1142 HydrophobicContact CD1-CD1 4.33Å; F1001-F1142 AromaticContact CD1-CE1 3.53Å; F1001-F1142 HydrophobicContact CD1-CE1 3.53Å; F1001-F1142 AromaticContact CD1-CE2 3.86Å; F1001-F1142 HydrophobicContact CD1-CE2 3.86Å; F1001-F1142 AromaticContact CD1-CZ 3.24Å; F1001-F1142 HydrophobicContact CD1-CZ 3.24Å; F1001-F1142 HydrophobicContact CD2-CZ 4.18Å; F1001-F1142 HydrophobicContact CE1-CD2 4.03Å; F1001-F1142 AromaticContact CE1-CE1 3.79Å; F1001-F1142 HydrophobicContact CE1-CE1 3.79Å; F1001-F1142 AromaticContact CE1-CE2 3.19Å; F1001-F1142 HydrophobicContact CE1-CE2 3.19Å; F1001-F1142 AromaticContact CE1-CZ 3.01Å; F1001-F1142 HydrophobicContact CE1-CZ 3.01Å; F1001-F1142 AromaticContact CE2-CZ 3.97Å; F1001-F1142 HydrophobicContact CE2-CZ 3.97Å; F1001-F1142 HydrophobicContact CG-CE1 4.11Å; F1001-F1142 AromaticContact CG-CZ 3.88Å; F1001-F1142 HydrophobicContact CG-CZ 3.88Å; F1001-F1142 HydrophobicContact CZ-CE1 4.49Å; F1001-F1142 AromaticContact CZ-CE2 3.59Å; F1001-F1142 HydrophobicContact CZ-CE2 3.59Å; F1001-F1142 AromaticContact CZ-CZ 3.42Å; F1001-F1142 HydrophobicContact CZ-CZ 3.42Å; F1001-F1142 VanDerWaalsContact CZ-CZ 3.42Å |
| 1002 | Y | 32.9 | Very low | 35.2 | Very low | 176 Ų | 176 | 116.6 Ų | 116.6 | 69% | 0.69 | 61% | 0.614 | S | S | * | * | | | trans | -78.9 | 128.6 | 169.2 | -105.4 | -76.7 | 0 | 0 | 0 | 111.2 | T1006 | Y1002-T1006 WeakPolarHBondContact CD1-OG1 3.25Š|
| 1003 | C | 34.2 | Very low | 37 | Very low | 2 Ų | 2 | 114.8 Ų | 114.8 | 1% | 0.014 | 61% | 0.611 | C | S | . | * | | | trans | -61.1 | 134.8 | 159.4 | -123.9 | 0 | 0 | 0 | 0 | 109.1 | I1005 T1006 S1007 Q1026 F1139 | C1003-I1005 PolarHBondContact O-N 2.73Å; C1003-T1006 HydrophobicContact CB-CG2 3.92Å; C1003-T1006 PolarHBondContact O-N 2.85Å; C1003-T1006 VanDerWaalsContact O-N 3.12Å; C1003-T1006 PolarHBondContact O-OG1 3.22Å; C1003-T1006 VanDerWaalsContact O-OG1 3.14Å; C1003-S1007 PolarHBondContact O-OG 2.92Å; C1003-Q1026 VanDerWaalsContact CB-OE1 3.29Å; C1003-Q1026 PolarHBondContact SG-OE1 2.95Å; C1003-F1139 WeakPolarHBondContact SG-CE2 3.33Å |
| 1004 | P | 36.7 | Very low | 39.7 | Very low | 56 Ų | 56 | 113.7 Ų | 113.7 | 36% | 0.364 | 60% | 0.603 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -60.8 | -15.9 | 174.1 | -25.7 | 35.7 | 0 | 0 | 0 | 114.2 | | |
| 1005 | I | 47.8 | Very low | 42.8 | Very low | 69 Ų | 69 | 106.6 Ų | 106.6 | 35% | 0.354 | 57% | 0.565 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -75.6 | -34 | 178.7 | -49.9 | 159.7 | 0 | 0 | 0 | 111.5 | C1003 T1009 I1102 | C1003-I1005 PolarHBondContact O-N 2.73Å; I1005-T1009 PolarHBondContact O-OG1 2.84Å; I1005-T1009 VanDerWaalsContact O-OG1 3.13Å; I1005-I1102 HydrophobicContact CD1-CB 4.26Å; I1005-I1102 HydrophobicContact CD1-CD1 3.73Å; I1005-I1102 HydrophobicContact CD1-CG1 3.61Å; I1005-I1102 HydrophobicContact CD1-CG2 3.65Å; I1005-I1102 HydrophobicContact CG1-CG2 4.08Å |
| 1006 | T | 43.5 | Very low | 45.9 | Very low | 43 Ų | 43 | 100 Ų | 100 | 26% | 0.264 | 54% | 0.537 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -105.4 | -15.6 | -162 | 60.7 | 0 | 0 | 0 | 0 | 113.8 | Y1002 C1003 E1023 | Y1002-T1006 WeakPolarHBondContact CD1-OG1 3.25Å; C1003-T1006 HydrophobicContact CB-CG2 3.92Å; C1003-T1006 PolarHBondContact O-N 2.85Å; C1003-T1006 VanDerWaalsContact O-N 3.12Å; C1003-T1006 PolarHBondContact O-OG1 3.22Å; C1003-T1006 VanDerWaalsContact O-OG1 3.14Å; T1006-E1023 HydrophobicContact CG2-CG 3.64Å |
| 1007 | S | 39 | Very low | 49.3 | Very low | 60 Ų | 60 | 94.8 Ų | 94.8 | 42% | 0.42 | 50% | 0.5 | S | S | . | . | S | Bend | trans | -85.4 | -15.4 | -173.4 | 24.4 | 0 | 0 | 0 | 0 | 114.9 | C1003 | C1003-S1007 PolarHBondContact O-OG 2.92Š|
| 1008 | T | 40.3 | Very low | 52.7 | Low | 114 Ų | 114 | 85.5 Ų | 85.5 | 70% | 0.699 | 46% | 0.463 | S | S | * | . | S | Bend | trans | -123.8 | -7.7 | -168.5 | 54.6 | 0 | 0 | 0 | 0 | 114.5 | | |
| 1009 | T | 41.5 | Very low | 56 | Low | 60 Ų | 60 | 80.6 Ų | 80.6 | 37% | 0.368 | 44% | 0.436 | S | S | . | . | | | trans | -112 | 102.1 | -167.7 | 58.9 | 0 | 0 | 0 | 0 | 112.7 | I1005 H1011 | I1005-T1009 PolarHBondContact O-OG1 2.84Å; I1005-T1009 VanDerWaalsContact O-OG1 3.13Å; T1009-H1011 VanDerWaalsContact CB-CD2 3.46Å; T1009-H1011 WeakPolarHBondContact CB-CD2 3.42Å; T1009-H1011 PolarHBondContact O-N 3.12Å |
| 1010 | N | 43.6 | Very low | 59.3 | Low | 139 Ų | 139 | 74.4 Ų | 74.4 | 74% | 0.743 | 40% | 0.396 | S | S | * | . | | | trans | -68.2 | 43.7 | 164.2 | -81.1 | -39.5 | 0 | 0 | 0 | 112.1 | H1012 | N1010-H1012 PolarHBondContact O-N 3.12Å; N1010-H1012 PolarHBondContact O-ND1 3.18Å; N1010-H1012 PolarHBondContact OD1-CE1 3.22Å; N1010-H1012 VanDerWaalsContact OD1-CE1 3.28Å |
| 1011 | H | 47.6 | Very low | 62.6 | Low | 130 Ų | 130 | 70.9 Ų | 70.9 | 60% | 0.602 | 37% | 0.371 | S | S | * | . | | | trans | -74.1 | 47.7 | -179.5 | -71.9 | -14.2 | 0 | 0 | 0 | 112.7 | T1009 G1013 H1014 | T1009-H1011 VanDerWaalsContact CB-CD2 3.46Å; T1009-H1011 WeakPolarHBondContact CB-CD2 3.42Å; T1009-H1011 PolarHBondContact O-N 3.12Å; H1011-G1013 PolarHBondContact O-N 3.4Å; H1011-H1014 PolarHBondContact O-N 3.37Å |
| 1012 | H | 57.1 | Low | 65.8 | Low | 165 Ų | 165 | 64.7 Ų | 64.7 | 76% | 0.764 | 34% | 0.344 | S | S | * | . | | | trans | -55.7 | -7.8 | -176.7 | -73.3 | 97.5 | 0 | 0 | 0 | 115.6 | N1010 | N1010-H1012 PolarHBondContact O-N 3.12Å; N1010-H1012 PolarHBondContact O-ND1 3.18Å; N1010-H1012 PolarHBondContact OD1-CE1 3.22Å; N1010-H1012 VanDerWaalsContact OD1-CE1 3.28Å |
| 1013 | G | 65.5 | Low | 68.7 | Low | 59 Ų | 59 | 58.3 Ų | 58.3 | 61% | 0.608 | 32% | 0.321 | S | S | * | . | S | Bend | trans | -100 | -49.3 | 172.6 | 0 | 0 | 0 | 0 | 0 | 115.1 | H1011 K1059 | H1011-G1013 PolarHBondContact O-N 3.4Å; G1013-K1059 PolarHBondContact O-NZ 3.01Å |
| 1014 | H | 86.1 | Confident | 71.7 | Confident | 152 Ų | 152 | 58.9 Ų | 58.9 | 70% | 0.704 | 32% | 0.323 | S | S | * | . | | | trans | -125.3 | 42.9 | -154 | -154.5 | -84.5 | 0 | 0 | 0 | 116.5 | H1011 | H1011-H1014 PolarHBondContact O-N 3.37Š|
| 1015 | I | 93.7 | Very high | 74.6 | Confident | 21 Ų | 21 | 56.8 Ų | 56.8 | 11% | 0.108 | 31% | 0.309 | C | S | . | . | | | trans | -70.1 | 137.4 | 159.7 | -172.4 | 169.6 | 0 | 0 | 0 | 111.7 | Q1019 F1020 E1023 W1055 R1058 K1059 | I1015-Q1019 HydrophobicContact CD1-CB 4.41Å; I1015-Q1019 HydrophobicContact CG1-CB 3.91Å; I1015-F1020 HydrophobicContact CD1-CB 3.82Å; I1015-F1020 HydrophobicContact CG1-CB 4.22Å; I1015-E1023 WeakPolarHBondContact CD1-OE1 3.44Å; I1015-E1023 WeakPolarHBondContact CD1-OE2 3.21Å; I1015-W1055 HydrophobicContact CG2-CZ3 4.13Å; I1015-R1058 HydrophobicContact CG2-CG 4.08Å; I1015-K1059 HydrophobicContact CG2-CD 3.72Å; I1015-K1059 PolarHBondContact O-NZ 2.69Å |
| 1016 | Q | 94.7 | Very high | 76.8 | Confident | 49 Ų | 49 | 56.4 Ų | 56.4 | 23% | 0.229 | 31% | 0.306 | C | S | . | . | | | trans | -86.9 | 158.1 | 171.9 | -56.5 | -165.6 | 31.2 | 0 | 0 | 112 | W1018 Q1019 F1020 | Q1016-W1018 PolarHBondContact O-N 3.21Å; Q1016-W1018 VanDerWaalsContact OE1-NE1 3.08Å; Q1016-Q1019 HydrophobicContact CB-CG 4.3Å; Q1016-Q1019 VanDerWaalsContact CB-OE1 3.3Å; Q1016-Q1019 PolarHBondContact O-N 3.28Å; Q1016-F1020 PolarHBondContact O-N 3.06Å |
| 1017 | L | 96.6 | Very high | 79.2 | Confident | 9 Ų | 9 | 56.9 Ų | 56.9 | 5% | 0.047 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -61.8 | -40.5 | -178 | 172.7 | 63 | 0 | 0 | 0 | 112.6 | Q1019 F1020 L1021 W1055 L1069 L1073 Y1076 | L1017-Q1019 VanDerWaalsContact C-N 3.34Å; L1017-Q1019 PolarHBondContact O-N 3.02Å; L1017-F1020 HydrophobicContact CD1-CD1 4.18Å; L1017-F1020 PolarHBondContact O-N 3.22Å; L1017-L1021 HydrophobicContact CD1-CD1 3.96Å; L1017-L1021 HydrophobicContact CD1-CG 4.05Å; L1017-L1021 HydrophobicContact CG-CD1 3.95Å; L1017-L1021 HydrophobicContact CG-CG 4.47Å; L1017-L1021 VanDerWaalsContact O-CG 3.29Å; L1017-L1021 WeakPolarHBondContact O-CG 3.47Å; L1017-L1021 PolarHBondContact O-N 2.84Å; L1017-W1055 HydrophobicContact CB-CH2 4.03Å; L1017-W1055 HydrophobicContact CB-CZ2 3.73Å; L1017-W1055 HydrophobicContact CD1-CD2 3.84Å; L1017-W1055 HydrophobicContact CD1-CE3 4.35Å; L1017-W1055 HydrophobicContact CD1-CG 4.02Å; L1017-W1055 HydrophobicContact CD1-CZ2 4.24Å; L1017-L1069 HydrophobicContact CD1-CD1 4.03Å; L1017-L1069 HydrophobicContact CD1-CG 3.92Å; L1017-L1069 HydrophobicContact CD2-CG 4.25Å; L1017-L1073 HydrophobicContact CD2-CD2 4.41Å; L1017-L1073 HydrophobicContact CD2-CG 4.42Å; L1017-Y1076 HydrophobicContact CB-CE2 4.02Å; L1017-Y1076 HydrophobicContact CD2-CE2 4.18Å; L1017-Y1076 HydrophobicContact CG-CE2 4.19Å; L1017-Y1076 PolarHBondContact N-OH 2.94Å |
| 1018 | W | 95.7 | Very high | 81.7 | Confident | 8 Ų | 8 | 59.2 Ų | 59.2 | 3% | 0.03 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -67.7 | -33.5 | 179.2 | 74.9 | -98.8 | 0 | 0 | 0 | 112.7 | Q1016 L1022 Y1076 I1081 I1082 F1094 L1101 Q1105 | Q1016-W1018 PolarHBondContact O-N 3.21Å; Q1016-W1018 VanDerWaalsContact OE1-NE1 3.08Å; W1018-L1022 HydrophobicContact CZ3-CD2 4.11Å; W1018-L1022 WeakPolarHBondContact O-CB 3.48Å; W1018-L1022 PolarHBondContact O-N 3.08Å; W1018-Y1076 HydrophobicContact CB-CD2 4.42Å; W1018-Y1076 HydrophobicContact CB-CE2 3.89Å; W1018-Y1076 AromaticContact CD1-CE1 3.79Å; W1018-Y1076 AromaticContact CD1-CZ 3.71Å; W1018-Y1076 PolarHBondContact N-OH 3.31Å; W1018-I1081 HydrophobicContact CB-CG2 3.95Å; W1018-I1081 HydrophobicContact CD2-CG2 4.2Å; W1018-I1081 HydrophobicContact CG-CG2 3.81Å; W1018-I1082 HydrophobicContact CB-CD1 3.86Å; W1018-F1094 HydrophobicContact CB-CE1 4.24Å; W1018-F1094 HydrophobicContact CE3-CE1 4.31Å; W1018-L1101 HydrophobicContact CH2-CB 3.82Å; W1018-L1101 WeakPolarHBondContact CH2-O 3.39Å; W1018-L1101 HydrophobicContact CZ2-CB 4.44Å; W1018-L1101 HydrophobicContact CZ3-CB 3.87Å; W1018-Q1105 HydrophobicContact CH2-CG 4.14Å; W1018-Q1105 HydrophobicContact CZ2-CG 3.65Å |
| 1019 | Q | 95.3 | Very high | 84.3 | Confident | 38 Ų | 38 | 60.4 Ų | 60.4 | 18% | 0.178 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -67.2 | -47.6 | 174.6 | -69 | 166.2 | -35.1 | 0 | 0 | 110.5 | I1015 Q1016 L1017 L1021 L1022 E1023 Q1105 | I1015-Q1019 HydrophobicContact CD1-CB 4.41Å; I1015-Q1019 HydrophobicContact CG1-CB 3.91Å; Q1016-Q1019 HydrophobicContact CB-CG 4.3Å; Q1016-Q1019 VanDerWaalsContact CB-OE1 3.3Å; Q1016-Q1019 PolarHBondContact O-N 3.28Å; L1017-Q1019 VanDerWaalsContact C-N 3.34Å; L1017-Q1019 PolarHBondContact O-N 3.02Å; Q1019-L1021 VanDerWaalsContact C-N 3.33Å; Q1019-L1021 PolarHBondContact O-N 3.23Å; Q1019-L1022 CarbonylContact O-C 3.6Å; Q1019-L1022 WeakPolarHBondContact O-CB 3.48Å; Q1019-L1022 PolarHBondContact O-N 3.23Å; Q1019-L1022 VanDerWaalsContact O-N 3.08Å; Q1019-E1023 WeakPolarHBondContact O-CG 3.43Å; Q1019-E1023 PolarHBondContact O-N 3.19Å; Q1019-Q1105 VanDerWaalsContact NE2-OE1 3.08Å |
| 1020 | F | 96.7 | Very high | 86.9 | Confident | 0 Ų | 0 | 57.5 Ų | 57.5 | 0% | 0 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -56.5 | -45.2 | 174.3 | 165.5 | -95.6 | 0 | 0 | 0 | 112.2 | I1015 Q1016 L1017 L1022 E1023 E1024 V1051 R1054 W1055 R1058 | I1015-F1020 HydrophobicContact CD1-CB 3.82Å; I1015-F1020 HydrophobicContact CG1-CB 4.22Å; Q1016-F1020 PolarHBondContact O-N 3.06Å; L1017-F1020 HydrophobicContact CD1-CD1 4.18Å; L1017-F1020 PolarHBondContact O-N 3.22Å; F1020-L1022 VanDerWaalsContact C-N 3.29Å; F1020-L1022 PolarHBondContact O-N 2.97Å; F1020-E1023 WeakPolarHBondContact O-CB 3.32Å; F1020-E1023 PolarHBondContact O-N 3.25Å; F1020-E1024 HydrophobicContact CD1-CG 4.4Å; F1020-E1024 HydrophobicContact CD2-CG 4.11Å; F1020-E1024 HydrophobicContact CE1-CG 3.9Å; F1020-E1024 HydrophobicContact CE2-CG 3.61Å; F1020-E1024 WeakPolarHBondContact CE2-OE1 3.16Å; F1020-E1024 HydrophobicContact CG-CG 4.48Å; F1020-E1024 HydrophobicContact CZ-CG 3.47Å; F1020-E1024 VanDerWaalsContact CZ-CG 3.47Å; F1020-E1024 VanDerWaalsContact O-CG 3.29Å; F1020-E1024 WeakPolarHBondContact O-CG 3.04Å; F1020-E1024 PolarHBondContact O-N 2.81Å; F1020-V1051 HydrophobicContact CE1-CG1 4.1Å; F1020-R1054 HydrophobicContact CE2-CB 4.36Å; F1020-R1054 HydrophobicContact CZ-CB 3.83Å; F1020-W1055 HydrophobicContact CB-CE3 3.65Å; F1020-W1055 HydrophobicContact CB-CZ3 3.54Å; F1020-W1055 HydrophobicContact CD1-CB 4.07Å; F1020-W1055 HydrophobicContact CD1-CD2 4.12Å; F1020-W1055 AromaticContact CD1-CE3 3.59Å; F1020-W1055 HydrophobicContact CD1-CE3 3.59Å; F1020-W1055 HydrophobicContact CD1-CG 4.35Å; F1020-W1055 HydrophobicContact CD1-CZ3 4.34Å; F1020-W1055 AromaticContact CD2-CE3 3.9Å; F1020-W1055 HydrophobicContact CD2-CE3 3.9Å; F1020-W1055 HydrophobicContact CD2-CZ3 4.45Å; F1020-W1055 HydrophobicContact CE1-CB 3.57Å; F1020-W1055 HydrophobicContact CE1-CE3 4.24Å; F1020-W1055 HydrophobicContact CE1-CG 4.32Å; F1020-W1055 HydrophobicContact CE2-CE3 4.49Å; F1020-W1055 HydrophobicContact CG-CD2 4.37Å; F1020-W1055 AromaticContact CG-CE3 3.4Å; F1020-W1055 HydrophobicContact CG-CE3 3.4Å; F1020-W1055 AromaticContact CG-CZ3 3.86Å; F1020-W1055 HydrophobicContact CG-CZ3 3.86Å; F1020-W1055 HydrophobicContact CZ-CB 3.87Å; F1020-W1055 VanDerWaalsContact CZ-N 3.27Å; F1020-R1058 HydrophobicContact CD2-CB 4.2Å; F1020-R1058 HydrophobicContact CD2-CG 4.1Å; F1020-R1058 HydrophobicContact CE2-CB 4.18Å; F1020-R1058 HydrophobicContact CE2-CG 4.48Å |
| 1021 | L | 97.4 | Very high | 89.3 | Confident | 0 Ų | 0 | 54.9 Ų | 54.9 | 0% | 0 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -64.2 | -35.4 | 176.6 | -69.3 | 166.3 | 0 | 0 | 0 | 112 | L1017 Q1019 L1025 I1034 F1043 L1045 V1051 L1073 I1082 | L1017-L1021 HydrophobicContact CD1-CD1 3.96Å; L1017-L1021 HydrophobicContact CD1-CG 4.05Å; L1017-L1021 HydrophobicContact CG-CD1 3.95Å; L1017-L1021 HydrophobicContact CG-CG 4.47Å; L1017-L1021 VanDerWaalsContact O-CG 3.29Å; L1017-L1021 WeakPolarHBondContact O-CG 3.47Å; L1017-L1021 PolarHBondContact O-N 2.84Å; Q1019-L1021 VanDerWaalsContact C-N 3.33Å; Q1019-L1021 PolarHBondContact O-N 3.23Å; L1021-L1025 VanDerWaalsContact O-CB 3.24Å; L1021-L1025 WeakPolarHBondContact O-CB 3.27Å; L1021-L1025 WeakPolarHBondContact O-CD1 3.15Å; L1021-L1025 WeakPolarHBondContact O-CG 3.36Å; L1021-L1025 PolarHBondContact O-N 3.27Å; L1021-I1034 HydrophobicContact CB-CD1 4.49Å; L1021-I1034 HydrophobicContact CD2-CD1 3.69Å; L1021-F1043 HydrophobicContact CD1-CZ 4.46Å; L1021-L1045 HydrophobicContact CD2-CD2 4.2Å; L1021-V1051 HydrophobicContact CD2-CG1 3.77Å; L1021-L1073 HydrophobicContact CD1-CD2 3.54Å; L1021-I1082 HydrophobicContact CD1-CD1 4.19Å |
| 1022 | L | 95.3 | Very high | 91.6 | Very high | 8 Ų | 8 | 54.9 Ų | 54.9 | 4% | 0.042 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -71.6 | -28.5 | 176 | -173.8 | 60.9 | 0 | 0 | 0 | 112.8 | W1018 Q1019 F1020 Q1026 W1036 F1094 L1098 | W1018-L1022 HydrophobicContact CZ3-CD2 4.11Å; W1018-L1022 WeakPolarHBondContact O-CB 3.48Å; W1018-L1022 PolarHBondContact O-N 3.08Å; Q1019-L1022 CarbonylContact O-C 3.6Å; Q1019-L1022 WeakPolarHBondContact O-CB 3.48Å; Q1019-L1022 PolarHBondContact O-N 3.23Å; Q1019-L1022 VanDerWaalsContact O-N 3.08Å; F1020-L1022 VanDerWaalsContact C-N 3.29Å; F1020-L1022 PolarHBondContact O-N 2.97Å; L1022-Q1026 WeakPolarHBondContact O-CG 3.49Å; L1022-Q1026 PolarHBondContact O-NE2 3.13Å; L1022-W1036 HydrophobicContact CD1-CH2 4.19Å; L1022-W1036 HydrophobicContact CD1-CZ2 4.07Å; L1022-F1094 HydrophobicContact CB-CZ 4.25Å; L1022-L1098 HydrophobicContact CD1-CD1 4.07Å; L1022-L1098 HydrophobicContact CD1-CD2 3.82Å; L1022-L1098 HydrophobicContact CD2-CD2 4.09Å |
| 1023 | E | 95.3 | Very high | 93.6 | Very high | 43 Ų | 43 | 48.4 Ų | 48.4 | 20% | 0.201 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -71.6 | -49.8 | 171.5 | -74.1 | 173.7 | -164.7 | 0 | 0 | 112 | T1006 I1015 Q1019 F1020 L1025 Q1026 D1027 R1058 | T1006-E1023 HydrophobicContact CG2-CG 3.64Å; I1015-E1023 WeakPolarHBondContact CD1-OE1 3.44Å; I1015-E1023 WeakPolarHBondContact CD1-OE2 3.21Å; Q1019-E1023 WeakPolarHBondContact O-CG 3.43Å; Q1019-E1023 PolarHBondContact O-N 3.19Å; F1020-E1023 WeakPolarHBondContact O-CB 3.32Å; F1020-E1023 PolarHBondContact O-N 3.25Å; E1023-L1025 PolarHBondContact O-N 3.39Å; E1023-Q1026 WeakPolarHBondContact O-CA 3.24Å; E1023-Q1026 WeakPolarHBondContact O-CB 3.24Å; E1023-Q1026 PolarHBondContact O-N 3.13Å; E1023-D1027 PolarHBondContact O-N 3.19Å; E1023-R1058 IonicContact OE2-CZ 2.61Å; E1023-R1058 IonicContact OE2-NH1 3.71Å; E1023-R1058 PolarHBondContact OE2-NH1 3.19Å; E1023-R1058 IonicContact OE2-NH2 3.82Å; E1023-R1058 PolarHBondContact OE2-NH2 3.2Å |
| 1024 | E | 97 | Very high | 95.1 | Very high | 13 Ų | 13 | 45.7 Ų | 45.7 | 6% | 0.061 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -64 | -21.2 | 175.2 | -57.5 | -83.7 | 149.1 | 0 | 0 | 111.5 | F1020 Q1026 A1030 I1034 R1054 R1058 | F1020-E1024 HydrophobicContact CD1-CG 4.4Å; F1020-E1024 HydrophobicContact CD2-CG 4.11Å; F1020-E1024 HydrophobicContact CE1-CG 3.9Å; F1020-E1024 HydrophobicContact CE2-CG 3.61Å; F1020-E1024 WeakPolarHBondContact CE2-OE1 3.16Å; F1020-E1024 HydrophobicContact CG-CG 4.48Å; F1020-E1024 HydrophobicContact CZ-CG 3.47Å; F1020-E1024 VanDerWaalsContact CZ-CG 3.47Å; F1020-E1024 VanDerWaalsContact O-CG 3.29Å; F1020-E1024 WeakPolarHBondContact O-CG 3.04Å; F1020-E1024 PolarHBondContact O-N 2.81Å; E1024-Q1026 VanDerWaalsContact C-N 3.29Å; E1024-A1030 HydrophobicContact CB-CB 4.08Å; E1024-A1030 WeakPolarHBondContact O-CB 3.27Å; E1024-I1034 HydrophobicContact CB-CG2 3.68Å; E1024-R1054 IonicContact OE1-NH1 2.75Å; E1024-R1054 WeakPolarHBondContact OE2-CD 3.41Å; E1024-R1054 IonicContact OE2-CZ 3.05Å; E1024-R1054 IonicContact OE2-NE 3.51Å; E1024-R1054 IonicContact OE2-NH1 2.78Å; E1024-R1054 PolarHBondContact OE2-NH1 3.05Å; E1024-R1058 IonicContact OE1-NH2 3.15Å |
| 1025 | L | 96.6 | Very high | 95.6 | Very high | 13 Ų | 13 | 39.3 Ų | 39.3 | 7% | 0.068 | 20% | 0.2 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -83 | 0.3 | 171 | -80.8 | 166.9 | 0 | 0 | 0 | 114.6 | L1021 E1023 I1034 W1036 F1043 F1094 | L1021-L1025 VanDerWaalsContact O-CB 3.24Å; L1021-L1025 WeakPolarHBondContact O-CB 3.27Å; L1021-L1025 WeakPolarHBondContact O-CD1 3.15Å; L1021-L1025 WeakPolarHBondContact O-CG 3.36Å; L1021-L1025 PolarHBondContact O-N 3.27Å; E1023-L1025 PolarHBondContact O-N 3.39Å; L1025-I1034 HydrophobicContact CD1-CD1 4.11Å; L1025-I1034 HydrophobicContact CD2-CD1 4.2Å; L1025-I1034 HydrophobicContact CD2-CG1 3.76Å; L1025-I1034 HydrophobicContact CG-CD1 3.79Å; L1025-I1034 HydrophobicContact CG-CG1 3.91Å; L1025-W1036 HydrophobicContact CB-CZ2 3.67Å; L1025-W1036 HydrophobicContact CD1-CH2 3.85Å; L1025-W1036 HydrophobicContact CD1-CZ2 3.84Å; L1025-W1036 HydrophobicContact CD1-CZ3 4.18Å; L1025-W1036 HydrophobicContact CD2-CD2 3.97Å; L1025-W1036 HydrophobicContact CD2-CG 4.1Å; L1025-W1036 HydrophobicContact CD2-CZ2 4.38Å; L1025-W1036 HydrophobicContact CG-CZ2 4.18Å; L1025-W1036 PolarHBondContact O-NE1 3.14Å; L1025-F1043 HydrophobicContact CD1-CB 3.69Å; L1025-F1043 HydrophobicContact CD1-CD1 4.05Å; L1025-F1043 HydrophobicContact CD1-CD2 3.99Å; L1025-F1043 HydrophobicContact CD1-CG 3.67Å; L1025-F1043 HydrophobicContact CD2-CB 3.81Å; L1025-F1043 HydrophobicContact CG-CB 4.4Å; L1025-F1094 HydrophobicContact CD1-CE2 3.91Å |
| 1026 | Q | 93.7 | Very high | 95.8 | Very high | 61 Ų | 61 | 40.9 Ų | 40.9 | 29% | 0.285 | 21% | 0.205 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -112.8 | -29.9 | 172.6 | -71.9 | 170.6 | 73.9 | 0 | 0 | 112.2 | C1003 L1022 E1023 E1024 P1028 | C1003-Q1026 VanDerWaalsContact CB-OE1 3.29Å; C1003-Q1026 PolarHBondContact SG-OE1 2.95Å; L1022-Q1026 WeakPolarHBondContact O-CG 3.49Å; L1022-Q1026 PolarHBondContact O-NE2 3.13Å; E1023-Q1026 WeakPolarHBondContact O-CA 3.24Å; E1023-Q1026 WeakPolarHBondContact O-CB 3.24Å; E1023-Q1026 PolarHBondContact O-N 3.13Å; E1024-Q1026 VanDerWaalsContact C-N 3.29Å; Q1026-P1028 WeakPolarHBondContact O-CD 3.36Å |
| 1027 | D | 94.2 | Very high | 95.8 | Very high | 52 Ų | 52 | 40.7 Ų | 40.7 | 28% | 0.278 | 21% | 0.207 | S | C | . | . | | | trans | -61.7 | 117.4 | 171.2 | 174.2 | 16 | 0 | 0 | 0 | 111 | E1023 E1029 A1030 R1054 | E1023-D1027 PolarHBondContact O-N 3.19Å; D1027-E1029 VanDerWaalsContact C-N 3.27Å; D1027-E1029 PolarHBondContact O-N 3.38Å; D1027-E1029 WeakPolarHBondContact OD1-CB 3.42Å; D1027-E1029 PolarHBondContact OD1-N 2.91Å; D1027-A1030 HydrophobicContact CB-CB 3.75Å; D1027-A1030 VanDerWaalsContact CG-N 3.33Å; D1027-A1030 PolarHBondContact O-N 3.05Å; D1027-A1030 VanDerWaalsContact OD2-CB 3.28Å; D1027-A1030 WeakPolarHBondContact OD2-CB 3.42Å; D1027-A1030 PolarHBondContact OD2-N 3.28Å; D1027-A1030 VanDerWaalsContact OD2-N 3.14Å; D1027-R1054 IonicContact OD2-NH1 3.66Å; D1027-R1054 PolarHBondContact OD2-NH1 3.48Å |
| 1028 | P | 92.8 | Very high | 95.6 | Very high | 109 Ų | 109 | 41.7 Ų | 41.7 | 71% | 0.708 | 22% | 0.219 | S | C | * | . | S | Bend | trans | -68.4 | -24.3 | 176.4 | 29.5 | -34.9 | 0 | 0 | 0 | 112.9 | Q1026 N1031 | Q1026-P1028 WeakPolarHBondContact O-CD 3.36Å; P1028-N1031 WeakPolarHBondContact O-CB 3.49Å; P1028-N1031 PolarHBondContact O-N 3.18Å |
| 1029 | E | 94 | Very high | 95.3 | Very high | 139 Ų | 139 | 48.4 Ų | 48.4 | 65% | 0.65 | 25% | 0.245 | S | C | * | . | S | Bend | trans | -76.8 | -28.1 | 176.6 | -55.6 | -173.7 | 174.4 | 0 | 0 | 111.6 | D1027 N1031 | D1027-E1029 VanDerWaalsContact C-N 3.27Å; D1027-E1029 PolarHBondContact O-N 3.38Å; D1027-E1029 WeakPolarHBondContact OD1-CB 3.42Å; D1027-E1029 PolarHBondContact OD1-N 2.91Å; E1029-N1031 PolarHBondContact O-N 2.94Å |
| 1030 | A | 95.4 | Very high | 95 | Very high | 0 Ų | 0 | 54 Ų | 54 | 0% | 0 | 27% | 0.272 | C | S | . | . | G | 310 helix | trans | -71.3 | -14.7 | 173.3 | 0 | 0 | 0 | 0 | 0 | 114 | E1024 D1027 E1032 F1033 I1034 | E1024-A1030 HydrophobicContact CB-CB 4.08Å; E1024-A1030 WeakPolarHBondContact O-CB 3.27Å; D1027-A1030 HydrophobicContact CB-CB 3.75Å; D1027-A1030 VanDerWaalsContact CG-N 3.33Å; D1027-A1030 PolarHBondContact O-N 3.05Å; D1027-A1030 VanDerWaalsContact OD2-CB 3.28Å; D1027-A1030 WeakPolarHBondContact OD2-CB 3.42Å; D1027-A1030 PolarHBondContact OD2-N 3.28Å; D1027-A1030 VanDerWaalsContact OD2-N 3.14Å; A1030-E1032 PolarHBondContact O-N 3.23Å; A1030-F1033 PolarHBondContact O-N 2.9Å; A1030-I1034 HydrophobicContact CB-CG2 4.19Å; A1030-I1034 PolarHBondContact O-N 3.37Å |
| 1031 | N | 95.1 | Very high | 94.8 | Very high | 83 Ų | 83 | 56 Ų | 56 | 44% | 0.444 | 28% | 0.282 | S | S | . | . | G | 310 helix | trans | -56 | -26.6 | -175.4 | -174.1 | 12.3 | 0 | 0 | 0 | 113.1 | P1028 E1029 I1034 S1035 K1046 | P1028-N1031 WeakPolarHBondContact O-CB 3.49Å; P1028-N1031 PolarHBondContact O-N 3.18Å; E1029-N1031 PolarHBondContact O-N 2.94Å; N1031-I1034 WeakPolarHBondContact CA-O 3.43Å; N1031-S1035 VanDerWaalsContact OD1-CB 3.22Å; N1031-S1035 WeakPolarHBondContact OD1-CB 3.29Å; N1031-K1046 VanDerWaalsContact O-CD 3.31Å; N1031-K1046 WeakPolarHBondContact O-CD 3.48Å; N1031-K1046 WeakPolarHBondContact O-CE 3.36Å; N1031-K1046 PolarHBondContact O-NZ 3.03Å; N1031-K1046 PolarHBondContact OD1-NZ 2.97Å |
| 1032 | E | 96.1 | Very high | 94.8 | Very high | 131 Ų | 131 | 56.4 Ų | 56.4 | 61% | 0.612 | 28% | 0.284 | S | S | * | . | G | 310 helix | trans | -64.8 | -37.5 | 173.3 | -175.2 | 168.5 | -145.5 | 0 | 0 | 112.6 | A1030 K1046 | A1030-E1032 PolarHBondContact O-N 3.23Å; E1032-K1046 WeakPolarHBondContact O-CB 3.4Å; E1032-K1046 WeakPolarHBondContact O-CD 3.47Å |
| 1033 | F | 97.5 | Very high | 94.9 | Very high | 29 Ų | 29 | 56 Ų | 56 | 13% | 0.127 | 28% | 0.282 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -96.5 | -32 | -172.8 | -41.4 | -65 | 0 | 0 | 0 | 112.8 | A1030 L1045 K1046 E1047 Q1050 V1051 | A1030-F1033 PolarHBondContact O-N 2.9Å; F1033-L1045 CarbonylContact O-C 3.52Å; F1033-K1046 PolarHBondContact O-N 3.42Å; F1033-E1047 HydrophobicContact CB-CB 4.35Å; F1033-E1047 HydrophobicContact CD1-CB 4.12Å; F1033-E1047 HydrophobicContact CD1-CG 4.22Å; F1033-E1047 PolarHBondContact O-N 3.03Å; F1033-Q1050 HydrophobicContact CB-CB 4.13Å; F1033-Q1050 HydrophobicContact CD1-CB 3.56Å; F1033-Q1050 HydrophobicContact CD1-CG 3.65Å; F1033-Q1050 HydrophobicContact CE1-CB 4.28Å; F1033-Q1050 HydrophobicContact CE1-CG 4.03Å; F1033-Q1050 HydrophobicContact CG-CB 3.9Å; F1033-Q1050 HydrophobicContact CG-CG 4.48Å; F1033-V1051 HydrophobicContact CB-CG2 3.83Å; F1033-V1051 WeakPolarHBondContact O-CG2 3.5Å |
| 1034 | I | 98.3 | Very high | 95 | Very high | 1 Ų | 1 | 58.3 Ų | 58.3 | 1% | 0.005 | 29% | 0.291 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -147.5 | 132.7 | -179.7 | 179.7 | 172.6 | 0 | 0 | 0 | 110.2 | L1021 E1024 L1025 A1030 N1031 F1043 K1044 L1045 V1051 | L1021-I1034 HydrophobicContact CB-CD1 4.49Å; L1021-I1034 HydrophobicContact CD2-CD1 3.69Å; E1024-I1034 HydrophobicContact CB-CG2 3.68Å; L1025-I1034 HydrophobicContact CD1-CD1 4.11Å; L1025-I1034 HydrophobicContact CD2-CD1 4.2Å; L1025-I1034 HydrophobicContact CD2-CG1 3.76Å; L1025-I1034 HydrophobicContact CG-CD1 3.79Å; L1025-I1034 HydrophobicContact CG-CG1 3.91Å; A1030-I1034 HydrophobicContact CB-CG2 4.19Å; A1030-I1034 PolarHBondContact O-N 3.37Å; N1031-I1034 WeakPolarHBondContact CA-O 3.43Å; I1034-F1043 HydrophobicContact CD1-CD2 3.98Å; I1034-F1043 HydrophobicContact CD1-CE2 4.28Å; I1034-F1043 HydrophobicContact CG1-CD2 4.29Å; I1034-K1044 WeakPolarHBondContact CA-O 3.29Å; I1034-L1045 HydrophobicContact CB-CD2 4.34Å; I1034-L1045 HydrophobicContact CD1-CD2 3.67Å; I1034-L1045 HydrophobicContact CG1-CD2 3.99Å; I1034-V1051 HydrophobicContact CB-CG2 3.84Å; I1034-V1051 HydrophobicContact CG2-CG2 4.14Å |
| 1035 | S | 97.2 | Very high | 95.1 | Very high | 18 Ų | 18 | 57.7 Ų | 57.7 | 13% | 0.126 | 29% | 0.289 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.7 | 156.6 | 176.8 | 82.6 | 0 | 0 | 0 | 0 | 112.8 | N1031 F1043 K1044 K1046 | N1031-S1035 VanDerWaalsContact OD1-CB 3.22Å; N1031-S1035 WeakPolarHBondContact OD1-CB 3.29Å; S1035-F1043 CarbonylContact O-C 3.59Å; S1035-F1043 VanDerWaalsContact O-CA 3.27Å; S1035-F1043 WeakPolarHBondContact O-CA 3.35Å; S1035-F1043 WeakPolarHBondContact O-CB 3.14Å; S1035-K1044 PolarHBondContact N-O 3.24Å; S1035-K1044 PolarHBondContact O-N 3.48Å; S1035-K1046 VanDerWaalsContact OG-CE 3.26Å; S1035-K1046 WeakPolarHBondContact OG-CE 3.33Å |
| 1036 | W | 96.6 | Very high | 95.1 | Very high | 55 Ų | 55 | 61.6 Ų | 61.6 | 21% | 0.208 | 31% | 0.305 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -59.1 | 147.7 | 157.9 | -57.7 | 102.1 | 0 | 0 | 0 | 109.8 | L1022 L1025 F1043 F1094 L1098 | L1022-W1036 HydrophobicContact CD1-CH2 4.19Å; L1022-W1036 HydrophobicContact CD1-CZ2 4.07Å; L1025-W1036 HydrophobicContact CB-CZ2 3.67Å; L1025-W1036 HydrophobicContact CD1-CH2 3.85Å; L1025-W1036 HydrophobicContact CD1-CZ2 3.84Å; L1025-W1036 HydrophobicContact CD1-CZ3 4.18Å; L1025-W1036 HydrophobicContact CD2-CD2 3.97Å; L1025-W1036 HydrophobicContact CD2-CG 4.1Å; L1025-W1036 HydrophobicContact CD2-CZ2 4.38Å; L1025-W1036 HydrophobicContact CG-CZ2 4.18Å; L1025-W1036 PolarHBondContact O-NE1 3.14Å; W1036-F1043 HydrophobicContact CE3-CB 4.09Å; W1036-F1043 HydrophobicContact CZ3-CB 4.33Å; W1036-F1094 HydrophobicContact CH2-CD2 4.01Å; W1036-F1094 HydrophobicContact CH2-CE2 4.04Å; W1036-F1094 HydrophobicContact CZ3-CD2 4.13Å; W1036-F1094 HydrophobicContact CZ3-CE2 4.41Å; W1036-L1098 HydrophobicContact CH2-CD1 4.3Å |
| 1037 | T | 95 | Very high | 95.3 | Very high | 45 Ų | 45 | 62.7 Ų | 62.7 | 28% | 0.276 | 31% | 0.31 | S | S | . | . | | | trans | -90.2 | -17.4 | 178.4 | 59.2 | 0 | 0 | 0 | 0 | 113.5 | Y1039 E1042 K1044 V1091 | T1037-Y1039 PolarHBondContact OG1-N 3.13Å; T1037-E1042 HydrophobicContact CG2-CG 3.92Å; T1037-E1042 WeakPolarHBondContact CG2-OE1 3.18Å; T1037-E1042 PolarHBondContact N-O 3.03Å; T1037-E1042 WeakPolarHBondContact OG1-CB 3.39Å; T1037-E1042 WeakPolarHBondContact OG1-CG 3.31Å; T1037-E1042 PolarHBondContact OG1-O 2.94Å; T1037-E1042 PolarHBondContact OG1-OE1 2.96Å; T1037-K1044 HydrophobicContact CG2-CB 3.9Å; T1037-V1091 HydrophobicContact CG2-CG1 4.25Å |
| 1038 | G | 91.5 | Very high | 95.5 | Very high | 29 Ų | 29 | 60.9 Ų | 60.9 | 30% | 0.299 | 30% | 0.301 | S | S | . | . | S | Bend | trans | 105.2 | -26.6 | -170.9 | 0 | 0 | 0 | 0 | 0 | 113.1 | | |
| 1039 | Y | 90.8 | Very high | 95.7 | Very high | 150 Ų | 150 | 60.9 Ų | 60.9 | 59% | 0.588 | 30% | 0.295 | S | S | * | . | S | Bend | trans | -80.3 | 154.3 | 173.6 | -56.6 | -81.4 | 0 | 0 | 0 | 111.5 | T1037 N1041 E1042 | T1037-Y1039 PolarHBondContact OG1-N 3.13Å; Y1039-N1041 PolarHBondContact O-N 3.45Å; Y1039-N1041 VanDerWaalsContact O-N 3.16Å; Y1039-E1042 PolarHBondContact O-N 3.4Å |
| 1040 | E | 88.8 | Confident | 95.9 | Very high | 156 Ų | 156 | 57.5 Ų | 57.5 | 73% | 0.729 | 28% | 0.28 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -54 | 118.8 | -172.4 | -66.9 | -162.6 | 128 | 0 | 0 | 113 | E1042 R1093 | E1040-E1042 PolarHBondContact O-N 2.85Å; E1040-R1093 WeakPolarHBondContact O-CD 3.31Å |
| 1041 | N | 92.7 | Very high | 96 | Very high | 42 Ų | 42 | 57.5 Ų | 57.5 | 23% | 0.225 | 28% | 0.28 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 52.1 | 12.9 | -178.8 | -62.2 | -28.5 | 0 | 0 | 0 | 115.2 | Y1039 R1093 F1094 | Y1039-N1041 PolarHBondContact O-N 3.45Å; Y1039-N1041 VanDerWaalsContact O-N 3.16Å; N1041-R1093 HydrophobicContact CB-CG 4.14Å; N1041-R1093 CarbonylContact O-C 3.35Å; N1041-R1093 VanDerWaalsContact O-CA 3.29Å; N1041-R1093 WeakPolarHBondContact O-CA 3.47Å; N1041-F1094 HydrophobicContact CB-CB 4.12Å; N1041-F1094 WeakPolarHBondContact CB-O 3.32Å; N1041-F1094 PolarHBondContact O-N 2.99Å |
| 1042 | E | 96.4 | Very high | 96.2 | Very high | 7 Ų | 7 | 53.6 Ų | 53.6 | 3% | 0.033 | 26% | 0.258 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.1 | 123.9 | -177.5 | -176.9 | -174.7 | 110.5 | 0 | 0 | 110.4 | T1037 Y1039 E1040 V1085 K1088 V1091 Y1092 R1093 | T1037-E1042 HydrophobicContact CG2-CG 3.92Å; T1037-E1042 WeakPolarHBondContact CG2-OE1 3.18Å; T1037-E1042 PolarHBondContact N-O 3.03Å; T1037-E1042 WeakPolarHBondContact OG1-CB 3.39Å; T1037-E1042 WeakPolarHBondContact OG1-CG 3.31Å; T1037-E1042 PolarHBondContact OG1-O 2.94Å; T1037-E1042 PolarHBondContact OG1-OE1 2.96Å; Y1039-E1042 PolarHBondContact O-N 3.4Å; E1040-E1042 PolarHBondContact O-N 2.85Å; E1042-V1085 HydrophobicContact CG-CG2 4.15Å; E1042-K1088 IonicContact OE1-NZ 3.51Å; E1042-K1088 PolarHBondContact OE1-NZ 3.35Å; E1042-K1088 IonicContact OE2-NZ 2.65Å; E1042-K1088 PolarHBondContact OE2-NZ 3.4Å; E1042-V1091 HydrophobicContact CG-CG1 3.32Å; E1042-V1091 WeakPolarHBondContact OE1-CG1 3.11Å; E1042-Y1092 CarbonylContact C-O 3.19Å; E1042-Y1092 WeakPolarHBondContact CA-O 3.12Å; E1042-R1093 HydrophobicContact CB-CB 4.45Å |
| 1043 | F | 97.7 | Very high | 96.2 | Very high | 0 Ų | 0 | 53 Ų | 53 | 0% | 0 | 26% | 0.256 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125 | 151.6 | 179.4 | 68.2 | -85.7 | 0 | 0 | 0 | 112.4 | L1021 L1025 I1034 S1035 W1036 L1045 I1082 V1091 Y1092 F1094 | L1021-F1043 HydrophobicContact CD1-CZ 4.46Å; L1025-F1043 HydrophobicContact CD1-CB 3.69Å; L1025-F1043 HydrophobicContact CD1-CD1 4.05Å; L1025-F1043 HydrophobicContact CD1-CD2 3.99Å; L1025-F1043 HydrophobicContact CD1-CG 3.67Å; L1025-F1043 HydrophobicContact CD2-CB 3.81Å; L1025-F1043 HydrophobicContact CG-CB 4.4Å; I1034-F1043 HydrophobicContact CD1-CD2 3.98Å; I1034-F1043 HydrophobicContact CD1-CE2 4.28Å; I1034-F1043 HydrophobicContact CG1-CD2 4.29Å; S1035-F1043 CarbonylContact O-C 3.59Å; S1035-F1043 VanDerWaalsContact O-CA 3.27Å; S1035-F1043 WeakPolarHBondContact O-CA 3.35Å; S1035-F1043 WeakPolarHBondContact O-CB 3.14Å; W1036-F1043 HydrophobicContact CE3-CB 4.09Å; W1036-F1043 HydrophobicContact CZ3-CB 4.33Å; F1043-L1045 HydrophobicContact CE2-CD2 4.39Å; F1043-I1082 HydrophobicContact CE1-CG1 4.4Å; F1043-I1082 HydrophobicContact CE1-CG2 4.31Å; F1043-I1082 HydrophobicContact CZ-CD1 4.17Å; F1043-I1082 HydrophobicContact CZ-CG1 4.5Å; F1043-I1082 HydrophobicContact CZ-CG2 4.23Å; F1043-V1091 WeakPolarHBondContact O-CA 3.36Å; F1043-Y1092 HydrophobicContact CE2-CD2 4.29Å; F1043-Y1092 HydrophobicContact CE2-CG 4.37Å; F1043-Y1092 VanDerWaalsContact CZ-CB 3.46Å; F1043-Y1092 HydrophobicContact CZ-CG 4.23Å; F1043-Y1092 PolarHBondContact N-O 3.48Å; F1043-Y1092 PolarHBondContact O-N 3.04Å; F1043-Y1092 VanDerWaalsContact O-O 3.1Å; F1043-F1094 AromaticContact CD1-CD2 3.75Å; F1043-F1094 HydrophobicContact CD1-CD2 3.75Å; F1043-F1094 AromaticContact CD1-CE2 3.62Å; F1043-F1094 HydrophobicContact CD1-CE2 3.62Å; F1043-F1094 AromaticContact CE1-CD2 3.59Å; F1043-F1094 HydrophobicContact CE1-CD2 3.59Å; F1043-F1094 AromaticContact CE1-CE2 3.36Å; F1043-F1094 HydrophobicContact CE1-CE2 3.36Å; F1043-F1094 HydrophobicContact CE1-CG 4.46Å; F1043-F1094 HydrophobicContact CE1-CZ 4.1Å; F1043-F1094 HydrophobicContact CZ-CE2 4.13Å |
| 1044 | K | 97.8 | Very high | 96.2 | Very high | 92 Ų | 92 | 55 Ų | 55 | 40% | 0.4 | 26% | 0.262 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.5 | 131.2 | 178 | -174.7 | 175 | 178.9 | -174.9 | 0 | 109.7 | I1034 S1035 T1037 K1046 V1091 | I1034-K1044 WeakPolarHBondContact CA-O 3.29Å; S1035-K1044 PolarHBondContact N-O 3.24Å; S1035-K1044 PolarHBondContact O-N 3.48Å; T1037-K1044 HydrophobicContact CG2-CB 3.9Å; K1044-K1046 PolarHBondContact O-N 3.38Å; K1044-V1091 HydrophobicContact CB-CG2 3.97Å; K1044-V1091 HydrophobicContact CD-CG2 4.08Å; K1044-V1091 HydrophobicContact CG-CG2 3.83Å |
| 1045 | L | 98.2 | Very high | 96.2 | Very high | 0 Ų | 0 | 56.2 Ų | 56.2 | 0% | 0 | 27% | 0.267 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.9 | 104.6 | 161.2 | -49.2 | 172.5 | 0 | 0 | 0 | 106.5 | L1021 F1033 I1034 F1043 P1048 V1051 Y1066 L1069 L1073 Y1090 Y1092 | L1021-L1045 HydrophobicContact CD2-CD2 4.2Å; F1033-L1045 CarbonylContact O-C 3.52Å; I1034-L1045 HydrophobicContact CB-CD2 4.34Å; I1034-L1045 HydrophobicContact CD1-CD2 3.67Å; I1034-L1045 HydrophobicContact CG1-CD2 3.99Å; F1043-L1045 HydrophobicContact CE2-CD2 4.39Å; L1045-P1048 HydrophobicContact CB-CB 4.19Å; L1045-P1048 HydrophobicContact CB-CG 4.01Å; L1045-P1048 HydrophobicContact CD1-CB 4.34Å; L1045-V1051 HydrophobicContact CD2-CB 4.24Å; L1045-V1051 HydrophobicContact CD2-CG1 3.96Å; L1045-V1051 HydrophobicContact CD2-CG2 4.07Å; L1045-Y1066 HydrophobicContact CD1-CD2 4.22Å; L1045-Y1066 HydrophobicContact CD1-CE2 3.74Å; L1045-L1069 HydrophobicContact CD1-CD2 4.42Å; L1045-L1073 HydrophobicContact CD1-CD1 4.38Å; L1045-Y1090 PolarHBondContact N-O 3.13Å; L1045-Y1090 WeakPolarHBondContact O-CB 3.48Å; L1045-Y1092 HydrophobicContact CD1-CD2 4.48Å; L1045-Y1092 HydrophobicContact CD1-CE2 4.01Å; L1045-Y1092 HydrophobicContact CG-CE2 4.48Å |
| 1046 | K | 97.5 | Very high | 96.1 | Very high | 95 Ų | 95 | 55.4 Ų | 55.4 | 41% | 0.413 | 26% | 0.262 | S | S | . | . | S | Bend | trans | -69.3 | -46.4 | 175.4 | -72.9 | 173.1 | 178.2 | 169.4 | 0 | 110 | N1031 E1032 F1033 S1035 K1044 P1048 | N1031-K1046 VanDerWaalsContact O-CD 3.31Å; N1031-K1046 WeakPolarHBondContact O-CD 3.48Å; N1031-K1046 WeakPolarHBondContact O-CE 3.36Å; N1031-K1046 PolarHBondContact O-NZ 3.03Å; N1031-K1046 PolarHBondContact OD1-NZ 2.97Å; E1032-K1046 WeakPolarHBondContact O-CB 3.4Å; E1032-K1046 WeakPolarHBondContact O-CD 3.47Å; F1033-K1046 PolarHBondContact O-N 3.42Å; S1035-K1046 VanDerWaalsContact OG-CE 3.26Å; S1035-K1046 WeakPolarHBondContact OG-CE 3.33Å; K1044-K1046 PolarHBondContact O-N 3.38Å; K1046-P1048 WeakPolarHBondContact O-CD 3.33Å |
| 1047 | E | 97.7 | Very high | 96.1 | Very high | 83 Ų | 83 | 56.6 Ų | 56.6 | 39% | 0.388 | 28% | 0.283 | S | S | . | . | S | Bend | trans | -119.9 | 84.3 | 173.7 | -60.1 | -144.1 | 143.7 | 0 | 0 | 110.7 | F1033 N1049 Q1050 V1051 | F1033-E1047 HydrophobicContact CB-CB 4.35Å; F1033-E1047 HydrophobicContact CD1-CB 4.12Å; F1033-E1047 HydrophobicContact CD1-CG 4.22Å; F1033-E1047 PolarHBondContact O-N 3.03Å; E1047-N1049 PolarHBondContact O-N 3.08Å; E1047-Q1050 HydrophobicContact CB-CB 4.07Å; E1047-Q1050 HydrophobicContact CB-CG 3.95Å; E1047-Q1050 PolarHBondContact O-N 3.4Å; E1047-Q1050 WeakPolarHBondContact OE2-CG 3.24Å; E1047-V1051 PolarHBondContact O-N 3.25Å |
| 1048 | P | 97.8 | Very high | 96.1 | Very high | 15 Ų | 15 | 59.4 Ų | 59.4 | 10% | 0.097 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -59.2 | -25.9 | -174.4 | -20.5 | 29.8 | 0 | 0 | 0 | 113.9 | L1045 K1046 A1052 Y1066 Y1090 | L1045-P1048 HydrophobicContact CB-CB 4.19Å; L1045-P1048 HydrophobicContact CB-CG 4.01Å; L1045-P1048 HydrophobicContact CD1-CB 4.34Å; K1046-P1048 WeakPolarHBondContact O-CD 3.33Å; P1048-A1052 WeakPolarHBondContact O-CB 3.09Å; P1048-A1052 PolarHBondContact O-N 3.43Å; P1048-Y1066 HydrophobicContact CB-CD1 4.41Å; P1048-Y1066 HydrophobicContact CB-CD2 3.39Å; P1048-Y1066 HydrophobicContact CB-CE2 3.88Å; P1048-Y1066 HydrophobicContact CB-CG 3.68Å; P1048-Y1090 HydrophobicContact CB-CD1 4.27Å; P1048-Y1090 HydrophobicContact CB-CE1 4.45Å; P1048-Y1090 HydrophobicContact CG-CD1 3.61Å; P1048-Y1090 HydrophobicContact CG-CD2 3.76Å; P1048-Y1090 HydrophobicContact CG-CE1 3.9Å; P1048-Y1090 HydrophobicContact CG-CE2 4.02Å; P1048-Y1090 HydrophobicContact CG-CG 3.56Å |
| 1049 | N | 97.8 | Very high | 96.3 | Very high | 108 Ų | 108 | 60.4 Ų | 60.4 | 58% | 0.578 | 29% | 0.285 | S | S | * | . | H | α-helix | trans | -73.2 | -42.5 | 175.4 | -72.9 | -31.1 | 0 | 0 | 0 | 112.5 | E1047 A1052 Q1053 | E1047-N1049 PolarHBondContact O-N 3.08Å; N1049-A1052 PolarHBondContact O-N 3.31Å; N1049-Q1053 WeakPolarHBondContact O-CG 3.19Å; N1049-Q1053 PolarHBondContact O-N 3.01Å |
| 1050 | Q | 97.8 | Very high | 96.4 | Very high | 69 Ų | 69 | 60.1 Ų | 60.1 | 32% | 0.322 | 29% | 0.293 | S | S | . | . | H | α-helix | trans | -68.8 | -40.9 | 178 | -62.7 | -64.8 | 25.3 | 0 | 0 | 111.8 | F1033 E1047 A1052 Q1053 R1054 | F1033-Q1050 HydrophobicContact CB-CB 4.13Å; F1033-Q1050 HydrophobicContact CD1-CB 3.56Å; F1033-Q1050 HydrophobicContact CD1-CG 3.65Å; F1033-Q1050 HydrophobicContact CE1-CB 4.28Å; F1033-Q1050 HydrophobicContact CE1-CG 4.03Å; F1033-Q1050 HydrophobicContact CG-CB 3.9Å; F1033-Q1050 HydrophobicContact CG-CG 4.48Å; E1047-Q1050 HydrophobicContact CB-CB 4.07Å; E1047-Q1050 HydrophobicContact CB-CG 3.95Å; E1047-Q1050 PolarHBondContact O-N 3.4Å; E1047-Q1050 WeakPolarHBondContact OE2-CG 3.24Å; Q1050-A1052 PolarHBondContact O-N 2.93Å; Q1050-Q1053 CarbonylContact O-C 3.58Å; Q1050-Q1053 WeakPolarHBondContact O-CA 3.21Å; Q1050-Q1053 PolarHBondContact O-N 2.88Å; Q1050-Q1053 VanDerWaalsContact OE1-NE2 3.09Å; Q1050-R1054 PolarHBondContact O-N 2.72Å |
| 1051 | V | 98.1 | Very high | 96.7 | Very high | 0 Ų | 0 | 58.3 Ų | 58.3 | 0% | 0 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -60.9 | -36 | 174.6 | -174.7 | 0 | 0 | 0 | 0 | 110.8 | F1020 L1021 F1033 I1034 L1045 E1047 W1055 L1069 | F1020-V1051 HydrophobicContact CE1-CG1 4.1Å; L1021-V1051 HydrophobicContact CD2-CG1 3.77Å; F1033-V1051 HydrophobicContact CB-CG2 3.83Å; F1033-V1051 WeakPolarHBondContact O-CG2 3.5Å; I1034-V1051 HydrophobicContact CB-CG2 3.84Å; I1034-V1051 HydrophobicContact CG2-CG2 4.14Å; L1045-V1051 HydrophobicContact CD2-CB 4.24Å; L1045-V1051 HydrophobicContact CD2-CG1 3.96Å; L1045-V1051 HydrophobicContact CD2-CG2 4.07Å; E1047-V1051 PolarHBondContact O-N 3.25Å; V1051-W1055 WeakPolarHBondContact O-CB 3.37Å; V1051-W1055 PolarHBondContact O-N 2.98Å; V1051-L1069 HydrophobicContact CG1-CD1 4.29Å |
| 1052 | A | 98.2 | Very high | 96.7 | Very high | 0 Ų | 0 | 61.9 Ų | 61.9 | 0% | 0 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -71 | -33.4 | 173 | 0 | 0 | 0 | 0 | 0 | 113.7 | P1048 N1049 Q1050 G1056 M1064 L1069 | P1048-A1052 WeakPolarHBondContact O-CB 3.09Å; P1048-A1052 PolarHBondContact O-N 3.43Å; N1049-A1052 PolarHBondContact O-N 3.31Å; Q1050-A1052 PolarHBondContact O-N 2.93Å; A1052-G1056 PolarHBondContact O-N 2.94Å; A1052-M1064 HydrophobicContact CB-CG 4.38Å; A1052-M1064 WeakPolarHBondContact O-CB 3.45Å; A1052-M1064 WeakPolarHBondContact O-CG 3.15Å; A1052-L1069 HydrophobicContact CB-CB 4.27Å; A1052-L1069 HydrophobicContact CB-CD1 4.09Å |
| 1053 | Q | 97.6 | Very high | 96.7 | Very high | 118 Ų | 118 | 70 Ų | 70 | 55% | 0.551 | 34% | 0.344 | S | S | * | . | H | α-helix | trans | -67.9 | -45.9 | 171.6 | -73.5 | -170.3 | 66.7 | 0 | 0 | 111.6 | N1049 Q1050 W1055 G1056 A1057 | N1049-Q1053 WeakPolarHBondContact O-CG 3.19Å; N1049-Q1053 PolarHBondContact O-N 3.01Å; Q1050-Q1053 CarbonylContact O-C 3.58Å; Q1050-Q1053 WeakPolarHBondContact O-CA 3.21Å; Q1050-Q1053 PolarHBondContact O-N 2.88Å; Q1050-Q1053 VanDerWaalsContact OE1-NE2 3.09Å; Q1053-W1055 PolarHBondContact O-N 2.93Å; Q1053-G1056 CarbonylContact O-C 3.5Å; Q1053-G1056 VanDerWaalsContact O-CA 3.32Å; Q1053-G1056 WeakPolarHBondContact O-CA 3.36Å; Q1053-G1056 PolarHBondContact O-N 3.23Å; Q1053-A1057 PolarHBondContact O-N 2.95Å |
| 1054 | R | 97.2 | Very high | 96.7 | Very high | 72 Ų | 72 | 71.4 Ų | 71.4 | 27% | 0.272 | 35% | 0.351 | S | S | . | . | H | α-helix | trans | -58.9 | -45.1 | 174.4 | -72.2 | -169.2 | 169.7 | -145.5 | -4.1 | 111.6 | F1020 E1024 D1027 Q1050 G1056 A1057 R1058 | F1020-R1054 HydrophobicContact CE2-CB 4.36Å; F1020-R1054 HydrophobicContact CZ-CB 3.83Å; E1024-R1054 IonicContact OE1-NH1 2.75Å; E1024-R1054 WeakPolarHBondContact OE2-CD 3.41Å; E1024-R1054 IonicContact OE2-CZ 3.05Å; E1024-R1054 IonicContact OE2-NE 3.51Å; E1024-R1054 IonicContact OE2-NH1 2.78Å; E1024-R1054 PolarHBondContact OE2-NH1 3.05Å; D1027-R1054 IonicContact OD2-NH1 3.66Å; D1027-R1054 PolarHBondContact OD2-NH1 3.48Å; Q1050-R1054 PolarHBondContact O-N 2.72Å; R1054-G1056 VanDerWaalsContact C-N 3.31Å; R1054-G1056 PolarHBondContact O-N 3.28Å; R1054-A1057 PolarHBondContact O-N 3.18Å; R1054-R1058 WeakPolarHBondContact O-CB 3.22Å; R1054-R1058 PolarHBondContact O-N 2.99Å |
| 1055 | W | 97 | Very high | 96.7 | Very high | 27 Ų | 27 | 70.1 Ų | 70.1 | 10% | 0.102 | 35% | 0.348 | C | S | . | . | H | α-helix | trans | -61.8 | -38.3 | 171.6 | 178.3 | -129.9 | 0 | 0 | 0 | 112.5 | I1015 L1017 F1020 V1051 Q1053 R1058 K1059 L1069 | I1015-W1055 HydrophobicContact CG2-CZ3 4.13Å; L1017-W1055 HydrophobicContact CB-CH2 4.03Å; L1017-W1055 HydrophobicContact CB-CZ2 3.73Å; L1017-W1055 HydrophobicContact CD1-CD2 3.84Å; L1017-W1055 HydrophobicContact CD1-CE3 4.35Å; L1017-W1055 HydrophobicContact CD1-CG 4.02Å; L1017-W1055 HydrophobicContact CD1-CZ2 4.24Å; F1020-W1055 HydrophobicContact CB-CE3 3.65Å; F1020-W1055 HydrophobicContact CB-CZ3 3.54Å; F1020-W1055 HydrophobicContact CD1-CB 4.07Å; F1020-W1055 HydrophobicContact CD1-CD2 4.12Å; F1020-W1055 AromaticContact CD1-CE3 3.59Å; F1020-W1055 HydrophobicContact CD1-CE3 3.59Å; F1020-W1055 HydrophobicContact CD1-CG 4.35Å; F1020-W1055 HydrophobicContact CD1-CZ3 4.34Å; F1020-W1055 AromaticContact CD2-CE3 3.9Å; F1020-W1055 HydrophobicContact CD2-CE3 3.9Å; F1020-W1055 HydrophobicContact CD2-CZ3 4.45Å; F1020-W1055 HydrophobicContact CE1-CB 3.57Å; F1020-W1055 HydrophobicContact CE1-CE3 4.24Å; F1020-W1055 HydrophobicContact CE1-CG 4.32Å; F1020-W1055 HydrophobicContact CE2-CE3 4.49Å; F1020-W1055 HydrophobicContact CG-CD2 4.37Å; F1020-W1055 AromaticContact CG-CE3 3.4Å; F1020-W1055 HydrophobicContact CG-CE3 3.4Å; F1020-W1055 AromaticContact CG-CZ3 3.86Å; F1020-W1055 HydrophobicContact CG-CZ3 3.86Å; F1020-W1055 HydrophobicContact CZ-CB 3.87Å; F1020-W1055 VanDerWaalsContact CZ-N 3.27Å; V1051-W1055 WeakPolarHBondContact O-CB 3.37Å; V1051-W1055 PolarHBondContact O-N 2.98Å; Q1053-W1055 PolarHBondContact O-N 2.93Å; W1055-R1058 PolarHBondContact O-N 2.88Å; W1055-K1059 HydrophobicContact CD2-CG 3.97Å; W1055-K1059 HydrophobicContact CE3-CD 4.38Å; W1055-K1059 HydrophobicContact CE3-CG 3.74Å; W1055-K1059 HydrophobicContact CH2-CD 3.6Å; W1055-K1059 HydrophobicContact CH2-CG 3.49Å; W1055-K1059 VanDerWaalsContact CH2-CG 3.49Å; W1055-K1059 HydrophobicContact CZ2-CD 4.24Å; W1055-K1059 HydrophobicContact CZ2-CG 3.71Å; W1055-K1059 HydrophobicContact CZ3-CD 3.69Å; W1055-K1059 HydrophobicContact CZ3-CG 3.51Å; W1055-K1059 PolarHBondContact O-N 3.05Å; W1055-K1059 VanDerWaalsContact O-N 3.11Å; W1055-L1069 HydrophobicContact CB-CD1 3.93Å; W1055-L1069 HydrophobicContact CG-CD1 4.15Å |
| 1056 | G | 96.4 | Very high | 96.7 | Very high | 1 Ų | 1 | 71.5 Ų | 71.5 | 1% | 0.01 | 35% | 0.353 | C | S | . | . | H | α-helix | trans | -58 | -53.6 | 173 | 0 | 0 | 0 | 0 | 0 | 111.9 | A1052 Q1053 R1054 K1059 N1060 K1061 | A1052-G1056 PolarHBondContact O-N 2.94Å; Q1053-G1056 CarbonylContact O-C 3.5Å; Q1053-G1056 VanDerWaalsContact O-CA 3.32Å; Q1053-G1056 WeakPolarHBondContact O-CA 3.36Å; Q1053-G1056 PolarHBondContact O-N 3.23Å; R1054-G1056 VanDerWaalsContact C-N 3.31Å; R1054-G1056 PolarHBondContact O-N 3.28Å; G1056-K1059 PolarHBondContact O-N 3.04Å; G1056-N1060 CarbonylContact O-C 3.5Å; G1056-N1060 WeakPolarHBondContact O-CA 3.26Å; G1056-N1060 PolarHBondContact O-N 3.29Å; G1056-K1061 VanDerWaalsContact CA-O 3.31Å; G1056-K1061 WeakPolarHBondContact CA-O 3.33Å; G1056-K1061 PolarHBondContact O-N 3.19Å |
| 1057 | A | 95.7 | Very high | 96.7 | Very high | 80 Ų | 80 | 72.2 Ų | 72.2 | 66% | 0.661 | 36% | 0.358 | S | S | * | . | H | α-helix | trans | -57.1 | -50.9 | 175.5 | 0 | 0 | 0 | 0 | 0 | 111.2 | Q1053 R1054 K1059 N1060 | Q1053-A1057 PolarHBondContact O-N 2.95Å; R1054-A1057 PolarHBondContact O-N 3.18Å; A1057-K1059 PolarHBondContact O-N 2.99Å; A1057-K1059 VanDerWaalsContact O-N 3.13Å; A1057-N1060 PolarHBondContact O-N 3.37Å |
| 1058 | R | 95.4 | Very high | 96.7 | Very high | 104 Ų | 104 | 73.6 Ų | 73.6 | 39% | 0.392 | 36% | 0.363 | S | S | . | . | H | α-helix | trans | -58.7 | -28.9 | -178.2 | -163.9 | 74 | 88.9 | 82.3 | 12.4 | 114.2 | I1015 F1020 E1023 E1024 R1054 W1055 | I1015-R1058 HydrophobicContact CG2-CG 4.08Å; F1020-R1058 HydrophobicContact CD2-CB 4.2Å; F1020-R1058 HydrophobicContact CD2-CG 4.1Å; F1020-R1058 HydrophobicContact CE2-CB 4.18Å; F1020-R1058 HydrophobicContact CE2-CG 4.48Å; E1023-R1058 IonicContact OE2-CZ 2.61Å; E1023-R1058 IonicContact OE2-NH1 3.71Å; E1023-R1058 PolarHBondContact OE2-NH1 3.19Å; E1023-R1058 IonicContact OE2-NH2 3.82Å; E1023-R1058 PolarHBondContact OE2-NH2 3.2Å; E1024-R1058 IonicContact OE1-NH2 3.15Å; R1054-R1058 WeakPolarHBondContact O-CB 3.22Å; R1054-R1058 PolarHBondContact O-N 2.99Å; W1055-R1058 PolarHBondContact O-N 2.88Å |
| 1059 | K | 94.6 | Very high | 96.7 | Very high | 50 Ų | 50 | 73 Ų | 73 | 22% | 0.217 | 36% | 0.359 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -107.4 | 11.8 | 177.2 | -58.9 | -62.1 | -68.3 | -168.2 | 0 | 114 | G1013 I1015 W1055 G1056 A1057 K1061 | G1013-K1059 PolarHBondContact O-NZ 3.01Å; I1015-K1059 HydrophobicContact CG2-CD 3.72Å; I1015-K1059 PolarHBondContact O-NZ 2.69Å; W1055-K1059 HydrophobicContact CD2-CG 3.97Å; W1055-K1059 HydrophobicContact CE3-CD 4.38Å; W1055-K1059 HydrophobicContact CE3-CG 3.74Å; W1055-K1059 HydrophobicContact CH2-CD 3.6Å; W1055-K1059 HydrophobicContact CH2-CG 3.49Å; W1055-K1059 VanDerWaalsContact CH2-CG 3.49Å; W1055-K1059 HydrophobicContact CZ2-CD 4.24Å; W1055-K1059 HydrophobicContact CZ2-CG 3.71Å; W1055-K1059 HydrophobicContact CZ3-CD 3.69Å; W1055-K1059 HydrophobicContact CZ3-CG 3.51Å; W1055-K1059 PolarHBondContact O-N 3.05Å; W1055-K1059 VanDerWaalsContact O-N 3.11Å; G1056-K1059 PolarHBondContact O-N 3.04Å; A1057-K1059 PolarHBondContact O-N 2.99Å; A1057-K1059 VanDerWaalsContact O-N 3.13Å; K1059-K1061 VanDerWaalsContact C-N 3.33Å; K1059-K1061 HydrophobicContact CB-CD 4.29Å; K1059-K1061 HydrophobicContact CB-CG 4.47Å; K1059-K1061 PolarHBondContact O-N 3.39Å |
| 1060 | N | 94.1 | Very high | 96.7 | Very high | 143 Ų | 143 | 68 Ų | 68 | 77% | 0.765 | 33% | 0.332 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 46 | 51.6 | -172 | -163.7 | 4.6 | 0 | 0 | 0 | 113.6 | G1056 A1057 | G1056-N1060 CarbonylContact O-C 3.5Å; G1056-N1060 WeakPolarHBondContact O-CA 3.26Å; G1056-N1060 PolarHBondContact O-N 3.29Å; A1057-N1060 PolarHBondContact O-N 3.37Å |
| 1061 | K | 94.9 | Very high | 96.7 | Very high | 118 Ų | 118 | 69.6 Ų | 69.6 | 51% | 0.513 | 34% | 0.335 | S | S | . | . | | | trans | -125.5 | 77 | 178.9 | -72.9 | 177.4 | -175.4 | -175.8 | 0 | 109.3 | G1056 K1059 K1063 M1064 | G1056-K1061 VanDerWaalsContact CA-O 3.31Å; G1056-K1061 WeakPolarHBondContact CA-O 3.33Å; G1056-K1061 PolarHBondContact O-N 3.19Å; K1059-K1061 VanDerWaalsContact C-N 3.33Å; K1059-K1061 HydrophobicContact CB-CD 4.29Å; K1059-K1061 HydrophobicContact CB-CG 4.47Å; K1059-K1061 PolarHBondContact O-N 3.39Å; K1061-K1063 PolarHBondContact O-N 3.18Å; K1061-M1064 HydrophobicContact CB-CE 4.12Å; K1061-M1064 HydrophobicContact CD-CE 3.97Å; K1061-M1064 WeakPolarHBondContact O-CB 3.16Å; K1061-M1064 PolarHBondContact O-N 3.35Å |
| 1062 | P | 92.8 | Very high | 96.6 | Very high | 117 Ų | 117 | 70.5 Ų | 70.5 | 76% | 0.76 | 35% | 0.345 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.2 | -16.6 | -177.7 | 25.1 | -35.3 | 0 | 0 | 0 | 114 | M1064 | P1062-M1064 VanDerWaalsContact C-N 3.28Å; P1062-M1064 PolarHBondContact O-N 3.07Å |
| 1063 | K | 96.5 | Very high | 96.5 | Very high | 179 Ų | 179 | 70.5 Ų | 70.5 | 78% | 0.778 | 35% | 0.345 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -89.3 | 20.1 | 171.8 | -60.8 | -174.6 | 179.7 | -178.9 | 0 | 113.2 | K1061 K1068 | K1061-K1063 PolarHBondContact O-N 3.18Å; K1063-K1068 WeakPolarHBondContact O-CD 3.37Å; K1063-K1068 PolarHBondContact O-NZ 3.39Å |
| 1064 | M | 97.4 | Very high | 96.5 | Very high | 29 Ų | 29 | 69.8 Ų | 69.8 | 14% | 0.143 | 34% | 0.337 | C | S | . | . | | | trans | -73.6 | 141.4 | 170.6 | -168 | 62.8 | 67.9 | 0 | 0 | 110 | A1052 K1061 P1062 K1068 | A1052-M1064 HydrophobicContact CB-CG 4.38Å; A1052-M1064 WeakPolarHBondContact O-CB 3.45Å; A1052-M1064 WeakPolarHBondContact O-CG 3.15Å; K1061-M1064 HydrophobicContact CB-CE 4.12Å; K1061-M1064 HydrophobicContact CD-CE 3.97Å; K1061-M1064 WeakPolarHBondContact O-CB 3.16Å; K1061-M1064 PolarHBondContact O-N 3.35Å; P1062-M1064 VanDerWaalsContact C-N 3.28Å; P1062-M1064 PolarHBondContact O-N 3.07Å; M1064-K1068 HydrophobicContact SD-CB 3.72Å |
| 1065 | N | 97.8 | Very high | 96.5 | Very high | 64 Ų | 64 | 73 Ų | 73 | 34% | 0.342 | 35% | 0.35 | S | S | . | . | | | trans | -150.8 | 169.4 | 175.6 | 65.7 | -14.5 | 0 | 0 | 0 | 109 | E1067 K1068 L1069 | N1065-E1067 VanDerWaalsContact C-N 3.25Å; N1065-E1067 PolarHBondContact O-N 2.98Å; N1065-K1068 PolarHBondContact O-N 2.71Å; N1065-K1068 VanDerWaalsContact OD1-CD 3.24Å; N1065-K1068 WeakPolarHBondContact OD1-CD 3.44Å; N1065-K1068 WeakPolarHBondContact OD1-CE 3.36Å; N1065-K1068 VanDerWaalsContact OD1-CG 3.24Å; N1065-K1068 WeakPolarHBondContact OD1-CG 3.31Å; N1065-K1068 PolarHBondContact OD1-N 3.02Å; N1065-L1069 PolarHBondContact O-N 2.8Å; N1065-L1069 VanDerWaalsContact O-N 3.1Å |
| 1066 | Y | 98.3 | Very high | 96.4 | Very high | 29 Ų | 29 | 73 Ų | 73 | 11% | 0.114 | 35% | 0.35 | C | S | . | . | H | α-helix | trans | -55.8 | -39 | -175.8 | 173.7 | -107.7 | 0 | 0 | 0 | 112.7 | L1045 P1048 K1068 L1069 S1070 Y1090 Y1092 | L1045-Y1066 HydrophobicContact CD1-CD2 4.22Å; L1045-Y1066 HydrophobicContact CD1-CE2 3.74Å; P1048-Y1066 HydrophobicContact CB-CD1 4.41Å; P1048-Y1066 HydrophobicContact CB-CD2 3.39Å; P1048-Y1066 HydrophobicContact CB-CE2 3.88Å; P1048-Y1066 HydrophobicContact CB-CG 3.68Å; Y1066-K1068 VanDerWaalsContact C-N 3.27Å; Y1066-K1068 PolarHBondContact O-N 3.05Å; Y1066-L1069 CarbonylContact O-C 3.52Å; Y1066-L1069 PolarHBondContact O-N 3.13Å; Y1066-L1069 VanDerWaalsContact O-N 3.12Å; Y1066-S1070 VanDerWaalsContact O-CB 3.28Å; Y1066-S1070 WeakPolarHBondContact O-CB 3.49Å; Y1066-S1070 PolarHBondContact O-N 3.27Å; Y1066-S1070 PolarHBondContact O-OG 3.15Å; Y1066-Y1090 HydrophobicContact CD1-CE1 4.35Å; Y1066-Y1090 HydrophobicContact CE1-CD1 4.1Å; Y1066-Y1090 AromaticContact CE1-CE1 3.69Å; Y1066-Y1090 HydrophobicContact CE1-CE1 3.69Å; Y1066-Y1090 HydrophobicContact CE2-CD1 4.24Å; Y1066-Y1090 AromaticContact CZ-CD1 3.71Å; Y1066-Y1090 AromaticContact CZ-CE1 3.81Å; Y1066-Y1092 PolarHBondContact OH-OH 3.45Å |
| 1067 | E | 97.3 | Very high | 96.4 | Very high | 110 Ų | 110 | 76 Ų | 76 | 51% | 0.514 | 36% | 0.362 | S | S | . | . | H | α-helix | trans | -58.6 | -34.8 | 177.7 | -70.3 | -47.6 | 109.5 | 0 | 0 | 114.6 | N1065 S1070 R1071 R1074 | N1065-E1067 VanDerWaalsContact C-N 3.25Å; N1065-E1067 PolarHBondContact O-N 2.98Å; E1067-S1070 PolarHBondContact O-OG 3.27Å; E1067-R1071 PolarHBondContact O-N 2.91Å; E1067-R1074 IonicContact OE2-NH2 2.71Å |
| 1068 | K | 97.4 | Very high | 96.2 | Very high | 113 Ų | 113 | 79 Ų | 79 | 49% | 0.491 | 37% | 0.367 | S | S | . | . | H | α-helix | trans | -79.1 | -37.4 | 176.3 | -67.5 | 165.6 | -159.3 | 173.1 | 0 | 111.5 | K1063 M1064 N1065 Y1066 R1071 G1072 | K1063-K1068 WeakPolarHBondContact O-CD 3.37Å; K1063-K1068 PolarHBondContact O-NZ 3.39Å; M1064-K1068 HydrophobicContact SD-CB 3.72Å; N1065-K1068 PolarHBondContact O-N 2.71Å; N1065-K1068 VanDerWaalsContact OD1-CD 3.24Å; N1065-K1068 WeakPolarHBondContact OD1-CD 3.44Å; N1065-K1068 WeakPolarHBondContact OD1-CE 3.36Å; N1065-K1068 VanDerWaalsContact OD1-CG 3.24Å; N1065-K1068 WeakPolarHBondContact OD1-CG 3.31Å; N1065-K1068 PolarHBondContact OD1-N 3.02Å; Y1066-K1068 VanDerWaalsContact C-N 3.27Å; Y1066-K1068 PolarHBondContact O-N 3.05Å; K1068-R1071 PolarHBondContact O-N 2.76Å; K1068-G1072 PolarHBondContact O-N 3.29Å |
| 1069 | L | 98.3 | Very high | 96.1 | Very high | 1 Ų | 1 | 80.2 Ų | 80.2 | 1% | 0.005 | 38% | 0.375 | C | S | . | . | H | α-helix | trans | -66.8 | -44 | 175.5 | -172.3 | 151.8 | 0 | 0 | 0 | 111.3 | L1017 L1045 V1051 A1052 W1055 N1065 Y1066 R1071 G1072 L1073 | L1017-L1069 HydrophobicContact CD1-CD1 4.03Å; L1017-L1069 HydrophobicContact CD1-CG 3.92Å; L1017-L1069 HydrophobicContact CD2-CG 4.25Å; L1045-L1069 HydrophobicContact CD1-CD2 4.42Å; V1051-L1069 HydrophobicContact CG1-CD1 4.29Å; A1052-L1069 HydrophobicContact CB-CB 4.27Å; A1052-L1069 HydrophobicContact CB-CD1 4.09Å; W1055-L1069 HydrophobicContact CB-CD1 3.93Å; W1055-L1069 HydrophobicContact CG-CD1 4.15Å; N1065-L1069 PolarHBondContact O-N 2.8Å; N1065-L1069 VanDerWaalsContact O-N 3.1Å; Y1066-L1069 CarbonylContact O-C 3.52Å; Y1066-L1069 PolarHBondContact O-N 3.13Å; Y1066-L1069 VanDerWaalsContact O-N 3.12Å; L1069-R1071 VanDerWaalsContact C-N 3.29Å; L1069-R1071 PolarHBondContact O-N 3.24Å; L1069-G1072 CarbonylContact O-C 3.6Å; L1069-G1072 VanDerWaalsContact O-CA 3.25Å; L1069-G1072 WeakPolarHBondContact O-CA 3.45Å; L1069-G1072 PolarHBondContact O-N 2.98Å; L1069-L1073 HydrophobicContact CD2-CD1 3.75Å; L1069-L1073 HydrophobicContact CD2-CG 4.05Å; L1069-L1073 PolarHBondContact O-N 3.49Å |
| 1070 | S | 97.7 | Very high | 96 | Very high | 4 Ų | 4 | 83.9 Ų | 83.9 | 3% | 0.028 | 39% | 0.391 | C | S | . | . | H | α-helix | trans | -66.7 | -28.7 | 177.2 | 82.1 | 0 | 0 | 0 | 0 | 112.2 | Y1066 E1067 G1072 L1073 R1074 | Y1066-S1070 VanDerWaalsContact O-CB 3.28Å; Y1066-S1070 WeakPolarHBondContact O-CB 3.49Å; Y1066-S1070 PolarHBondContact O-N 3.27Å; Y1066-S1070 PolarHBondContact O-OG 3.15Å; E1067-S1070 PolarHBondContact O-OG 3.27Å; S1070-G1072 VanDerWaalsContact C-N 3.32Å; S1070-L1073 PolarHBondContact O-N 3.28Å; S1070-R1074 WeakPolarHBondContact O-CG 3.44Å; S1070-R1074 PolarHBondContact O-N 3.26Å; S1070-R1074 PolarHBondContact O-NE 3.44Å; S1070-R1074 PolarHBondContact OG-NH2 3.39Å |
| 1071 | R | 97.4 | Very high | 96.1 | Very high | 102 Ų | 102 | 77.9 Ų | 77.9 | 39% | 0.385 | 36% | 0.359 | S | S | . | . | H | α-helix | trans | -68.3 | -33.2 | 168.4 | -171.7 | 64.7 | -165.3 | 90.8 | -14.3 | 112 | E1067 K1068 L1069 Y1075 | E1067-R1071 PolarHBondContact O-N 2.91Å; K1068-R1071 PolarHBondContact O-N 2.76Å; L1069-R1071 VanDerWaalsContact C-N 3.29Å; L1069-R1071 PolarHBondContact O-N 3.24Å; R1071-Y1075 HydrophobicContact CG-CE2 4.16Å; R1071-Y1075 VanDerWaalsContact CZ-CE1 3.48Å; R1071-Y1075 VanDerWaalsContact NH1-CE1 3.26Å; R1071-Y1075 VanDerWaalsContact NH1-CE2 3.32Å; R1071-Y1075 PolarHBondContact NH2-OH 3.27Å; R1071-Y1075 WeakPolarHBondContact O-CD2 3.39Å |
| 1072 | G | 95.9 | Very high | 96.1 | Very high | 19 Ų | 19 | 72.2 Ų | 72.2 | 20% | 0.196 | 33% | 0.334 | C | S | . | . | H | α-helix | trans | -61.7 | -52.3 | 168.2 | 0 | 0 | 0 | 0 | 0 | 112.4 | K1068 L1069 S1070 R1074 Y1075 | K1068-G1072 PolarHBondContact O-N 3.29Å; L1069-G1072 CarbonylContact O-C 3.6Å; L1069-G1072 VanDerWaalsContact O-CA 3.25Å; L1069-G1072 WeakPolarHBondContact O-CA 3.45Å; L1069-G1072 PolarHBondContact O-N 2.98Å; S1070-G1072 VanDerWaalsContact C-N 3.32Å; G1072-R1074 VanDerWaalsContact C-N 3.29Å; G1072-R1074 PolarHBondContact O-N 3.45Å; G1072-Y1075 WeakPolarHBondContact O-CB 3.21Å; G1072-Y1075 PolarHBondContact O-N 2.78Å |
| 1073 | L | 97.5 | Very high | 96.3 | Very high | 0 Ų | 0 | 69 Ų | 69 | 0% | 0 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -54.9 | -42.8 | 176.4 | -69.1 | 176.2 | 0 | 0 | 0 | 112.5 | L1017 L1021 L1045 L1069 S1070 Y1075 Y1076 Y1077 I1082 Y1092 | L1017-L1073 HydrophobicContact CD2-CD2 4.41Å; L1017-L1073 HydrophobicContact CD2-CG 4.42Å; L1021-L1073 HydrophobicContact CD1-CD2 3.54Å; L1045-L1073 HydrophobicContact CD1-CD1 4.38Å; L1069-L1073 HydrophobicContact CD2-CD1 3.75Å; L1069-L1073 HydrophobicContact CD2-CG 4.05Å; L1069-L1073 PolarHBondContact O-N 3.49Å; S1070-L1073 PolarHBondContact O-N 3.28Å; L1073-Y1075 PolarHBondContact O-N 3.49Å; L1073-Y1075 VanDerWaalsContact O-N 3.16Å; L1073-Y1076 HydrophobicContact CD2-CD2 4.48Å; L1073-Y1076 WeakPolarHBondContact O-CB 3.47Å; L1073-Y1076 PolarHBondContact O-N 3.22Å; L1073-Y1077 VanDerWaalsContact O-CD1 3.28Å; L1073-Y1077 WeakPolarHBondContact O-CD1 3.43Å; L1073-Y1077 VanDerWaalsContact O-CE1 3.22Å; L1073-Y1077 WeakPolarHBondContact O-CE1 3.44Å; L1073-I1082 HydrophobicContact CD2-CD1 3.92Å; L1073-I1082 HydrophobicContact CD2-CG2 4.3Å; L1073-Y1092 HydrophobicContact CB-CE1 4.12Å; L1073-Y1092 HydrophobicContact CD1-CD1 4.15Å; L1073-Y1092 HydrophobicContact CD1-CD2 4.11Å; L1073-Y1092 HydrophobicContact CD1-CE1 3.7Å; L1073-Y1092 HydrophobicContact CD1-CE2 3.67Å; L1073-Y1092 HydrophobicContact CD1-CG 4.34Å; L1073-Y1092 VanDerWaalsContact CD1-CZ 3.45Å; L1073-Y1092 HydrophobicContact CG-CE1 4.46Å |
| 1074 | R | 96.9 | Very high | 96.3 | Very high | 103 Ų | 103 | 63.6 Ų | 63.6 | 39% | 0.389 | 29% | 0.285 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -59 | -23 | 175.6 | -78.3 | 175.3 | -85 | -172.2 | -6.1 | 114.5 | E1067 S1070 G1072 Y1076 Y1077 | E1067-R1074 IonicContact OE2-NH2 2.71Å; S1070-R1074 WeakPolarHBondContact O-CG 3.44Å; S1070-R1074 PolarHBondContact O-N 3.26Å; S1070-R1074 PolarHBondContact O-NE 3.44Å; S1070-R1074 PolarHBondContact OG-NH2 3.39Å; G1072-R1074 VanDerWaalsContact C-N 3.29Å; G1072-R1074 PolarHBondContact O-N 3.45Å; R1074-Y1076 VanDerWaalsContact C-N 3.32Å; R1074-Y1077 HydrophobicContact CB-CE2 4.34Å; R1074-Y1077 HydrophobicContact CG-CE2 3.79Å |
| 1075 | Y | 96.4 | Very high | 96.3 | Very high | 141 Ų | 141 | 63 Ų | 63 | 55% | 0.553 | 28% | 0.284 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -81.4 | -5.7 | 173.8 | -68.7 | -63.6 | 0 | 0 | 0 | 114 | R1071 G1072 L1073 | R1071-Y1075 HydrophobicContact CG-CE2 4.16Å; R1071-Y1075 VanDerWaalsContact CZ-CE1 3.48Å; R1071-Y1075 VanDerWaalsContact NH1-CE1 3.26Å; R1071-Y1075 VanDerWaalsContact NH1-CE2 3.32Å; R1071-Y1075 PolarHBondContact NH2-OH 3.27Å; R1071-Y1075 WeakPolarHBondContact O-CD2 3.39Å; G1072-Y1075 WeakPolarHBondContact O-CB 3.21Å; G1072-Y1075 PolarHBondContact O-N 2.78Å; L1073-Y1075 PolarHBondContact O-N 3.49Å; L1073-Y1075 VanDerWaalsContact O-N 3.16Å |
| 1076 | Y | 95.9 | Very high | 96.2 | Very high | 25 Ų | 25 | 65.2 Ų | 65.2 | 10% | 0.098 | 30% | 0.304 | C | S | . | . | S | Bend | trans | -95.8 | -12.1 | 179.3 | -67.8 | -46.8 | 0 | 0 | 0 | 114.2 | L1017 W1018 L1073 R1074 K1079 K1080 I1081 I1082 | L1017-Y1076 HydrophobicContact CB-CE2 4.02Å; L1017-Y1076 HydrophobicContact CD2-CE2 4.18Å; L1017-Y1076 HydrophobicContact CG-CE2 4.19Å; L1017-Y1076 PolarHBondContact N-OH 2.94Å; W1018-Y1076 HydrophobicContact CB-CD2 4.42Å; W1018-Y1076 HydrophobicContact CB-CE2 3.89Å; W1018-Y1076 AromaticContact CD1-CE1 3.79Å; W1018-Y1076 AromaticContact CD1-CZ 3.71Å; W1018-Y1076 PolarHBondContact N-OH 3.31Å; L1073-Y1076 HydrophobicContact CD2-CD2 4.48Å; L1073-Y1076 WeakPolarHBondContact O-CB 3.47Å; L1073-Y1076 PolarHBondContact O-N 3.22Å; R1074-Y1076 VanDerWaalsContact C-N 3.32Å; Y1076-K1079 PolarHBondContact O-N 3.46Å; Y1076-K1080 PolarHBondContact O-N 3.45Å; Y1076-K1080 VanDerWaalsContact O-N 3.16Å; Y1076-I1081 HydrophobicContact CD1-CB 4.17Å; Y1076-I1081 HydrophobicContact CD1-CD1 4Å; Y1076-I1081 HydrophobicContact CD1-CG2 4.29Å; Y1076-I1081 HydrophobicContact CE1-CD1 4.34Å; Y1076-I1081 HydrophobicContact CG-CB 4.36Å; Y1076-I1081 HydrophobicContact CG-CG2 4.45Å; Y1076-I1081 PolarHBondContact O-N 3.08Å; Y1076-I1082 CarbonylContact C-O 3.59Å; Y1076-I1082 HydrophobicContact CD2-CD1 4.03Å; Y1076-I1082 VanDerWaalsContact O-O 3.13Å |
| 1077 | Y | 95.4 | Very high | 96 | Very high | 64 Ų | 64 | 68 Ų | 68 | 25% | 0.251 | 34% | 0.342 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -65.2 | -50.7 | -177.1 | -58.4 | -3.3 | 0 | 0 | 0 | 111.1 | L1073 R1074 K1079 K1080 I1082 K1084 Y1092 | L1073-Y1077 VanDerWaalsContact O-CD1 3.28Å; L1073-Y1077 WeakPolarHBondContact O-CD1 3.43Å; L1073-Y1077 VanDerWaalsContact O-CE1 3.22Å; L1073-Y1077 WeakPolarHBondContact O-CE1 3.44Å; R1074-Y1077 HydrophobicContact CB-CE2 4.34Å; R1074-Y1077 HydrophobicContact CG-CE2 3.79Å; Y1077-K1079 VanDerWaalsContact C-N 3.29Å; Y1077-K1079 PolarHBondContact O-N 3.45Å; Y1077-K1080 PolarHBondContact O-N 3.31Å; Y1077-I1082 WeakPolarHBondContact CA-O 3.45Å; Y1077-I1082 WeakPolarHBondContact CD1-O 3.41Å; Y1077-I1082 PolarHBondContact N-O 3.18Å; Y1077-K1084 HydrophobicContact CE1-CB 4.19Å; Y1077-K1084 HydrophobicContact CE2-CB 4.13Å; Y1077-Y1092 HydrophobicContact CE1-CE1 4.45Å |
| 1078 | D | 92.9 | Very high | 96 | Very high | 143 Ų | 143 | 66.8 Ų | 66.8 | 77% | 0.765 | 33% | 0.334 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.4 | -34.2 | 177.7 | -52.1 | -36.3 | 0 | 0 | 0 | 111.3 | K1080 | D1078-K1080 PolarHBondContact O-N 3.41Š|
| 1079 | K | 93 | Very high | 95.9 | Very high | 131 Ų | 131 | 70 Ų | 70 | 57% | 0.57 | 34% | 0.344 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -73.7 | -7 | 178.1 | -65 | -165.3 | 170.7 | -157.4 | 0 | 114.2 | Y1076 Y1077 I1081 R1096 | Y1076-K1079 PolarHBondContact O-N 3.46Å; Y1077-K1079 VanDerWaalsContact C-N 3.29Å; Y1077-K1079 PolarHBondContact O-N 3.45Å; K1079-I1081 VanDerWaalsContact C-N 3.28Å; K1079-I1081 HydrophobicContact CB-CD1 3.95Å; K1079-I1081 HydrophobicContact CB-CG1 3.94Å; K1079-I1081 HydrophobicContact CD-CD1 4.22Å; K1079-I1081 PolarHBondContact O-N 2.9Å; K1079-R1096 PolarHBondContact O-NH2 2.8Å |
| 1080 | K | 93.5 | Very high | 95.9 | Very high | 126 Ų | 126 | 73.5 Ų | 73.5 | 55% | 0.548 | 36% | 0.357 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 48.9 | 50.3 | -174.3 | -51.3 | -61.3 | 175.4 | -174.2 | 0 | 111.6 | Y1076 Y1077 D1078 T1095 R1096 | Y1076-K1080 PolarHBondContact O-N 3.45Å; Y1076-K1080 VanDerWaalsContact O-N 3.16Å; Y1077-K1080 PolarHBondContact O-N 3.31Å; D1078-K1080 PolarHBondContact O-N 3.41Å; K1080-T1095 HydrophobicContact CB-CG2 4.31Å; K1080-T1095 HydrophobicContact CD-CG2 4.39Å; K1080-R1096 PolarHBondContact O-NE 3.33Å |
| 1081 | I | 94.6 | Very high | 95.9 | Very high | 17 Ų | 17 | 73.7 Ų | 73.7 | 9% | 0.087 | 36% | 0.358 | C | S | . | . | S | Bend | trans | -108.8 | -55 | 174.4 | -62.6 | 179 | 0 | 0 | 0 | 108.8 | W1018 Y1076 K1079 F1094 T1095 L1101 | W1018-I1081 HydrophobicContact CB-CG2 3.95Å; W1018-I1081 HydrophobicContact CD2-CG2 4.2Å; W1018-I1081 HydrophobicContact CG-CG2 3.81Å; Y1076-I1081 HydrophobicContact CD1-CB 4.17Å; Y1076-I1081 HydrophobicContact CD1-CD1 4Å; Y1076-I1081 HydrophobicContact CD1-CG2 4.29Å; Y1076-I1081 HydrophobicContact CE1-CD1 4.34Å; Y1076-I1081 HydrophobicContact CG-CB 4.36Å; Y1076-I1081 HydrophobicContact CG-CG2 4.45Å; Y1076-I1081 PolarHBondContact O-N 3.08Å; K1079-I1081 VanDerWaalsContact C-N 3.28Å; K1079-I1081 HydrophobicContact CB-CD1 3.95Å; K1079-I1081 HydrophobicContact CB-CG1 3.94Å; K1079-I1081 HydrophobicContact CD-CD1 4.22Å; K1079-I1081 PolarHBondContact O-N 2.9Å; I1081-F1094 WeakPolarHBondContact O-CA 3.46Å; I1081-T1095 PolarHBondContact O-N 2.89Å; I1081-T1095 VanDerWaalsContact O-N 3.14Å; I1081-L1101 HydrophobicContact CB-CD2 4.22Å; I1081-L1101 HydrophobicContact CG1-CD2 3.88Å; I1081-L1101 HydrophobicContact CG2-CD1 4.02Å; I1081-L1101 HydrophobicContact CG2-CD2 4.01Å |
| 1082 | I | 96.1 | Very high | 96 | Very high | 0 Ų | 0 | 69 Ų | 69 | 0% | 0 | 34% | 0.34 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.6 | 142.2 | 171.9 | -68.5 | 162.5 | 0 | 0 | 0 | 107.7 | W1018 L1021 F1043 L1073 Y1076 Y1077 Y1092 R1093 F1094 | W1018-I1082 HydrophobicContact CB-CD1 3.86Å; L1021-I1082 HydrophobicContact CD1-CD1 4.19Å; F1043-I1082 HydrophobicContact CE1-CG1 4.4Å; F1043-I1082 HydrophobicContact CE1-CG2 4.31Å; F1043-I1082 HydrophobicContact CZ-CD1 4.17Å; F1043-I1082 HydrophobicContact CZ-CG1 4.5Å; F1043-I1082 HydrophobicContact CZ-CG2 4.23Å; L1073-I1082 HydrophobicContact CD2-CD1 3.92Å; L1073-I1082 HydrophobicContact CD2-CG2 4.3Å; Y1076-I1082 CarbonylContact C-O 3.59Å; Y1076-I1082 HydrophobicContact CD2-CD1 4.03Å; Y1076-I1082 VanDerWaalsContact O-O 3.13Å; Y1077-I1082 WeakPolarHBondContact CA-O 3.45Å; Y1077-I1082 WeakPolarHBondContact CD1-O 3.41Å; Y1077-I1082 PolarHBondContact N-O 3.18Å; I1082-Y1092 HydrophobicContact CG2-CD1 4.08Å; I1082-Y1092 HydrophobicContact CG2-CG 4.39Å; I1082-R1093 CarbonylContact C-O 3.52Å; I1082-R1093 VanDerWaalsContact CA-O 3.23Å; I1082-R1093 WeakPolarHBondContact CA-O 3.44Å; I1082-F1094 HydrophobicContact CD1-CD1 4.23Å; I1082-F1094 HydrophobicContact CD1-CE1 3.72Å; I1082-F1094 HydrophobicContact CD1-CZ 4.02Å; I1082-F1094 HydrophobicContact CG1-CD1 3.58Å; I1082-F1094 HydrophobicContact CG1-CE1 3.62Å; I1082-F1094 HydrophobicContact CG1-CG 4.14Å; I1082-F1094 HydrophobicContact CG1-CZ 4.18Å |
| 1083 | E | 96.1 | Very high | 96 | Very high | 48 Ų | 48 | 72.1 Ų | 72.1 | 22% | 0.224 | 35% | 0.346 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.3 | 160.2 | 171.8 | 68.4 | -159.4 | 110.7 | 0 | 0 | 111.6 | Y1092 R1093 T1095 | E1083-Y1092 WeakPolarHBondContact O-CA 3.29Å; E1083-R1093 VanDerWaalsContact CD-NH2 3.25Å; E1083-R1093 HydrophobicContact CG-CB 3.9Å; E1083-R1093 HydrophobicContact CG-CG 4.48Å; E1083-R1093 PolarHBondContact N-O 3.21Å; E1083-R1093 PolarHBondContact O-N 2.97Å; E1083-R1093 IonicContact OE1-CZ 3.64Å; E1083-R1093 IonicContact OE1-NE 2.77Å; E1083-R1093 PolarHBondContact OE1-NE 3.47Å; E1083-R1093 IonicContact OE1-NH2 3.58Å; E1083-R1093 IonicContact OE2-CZ 2.73Å; E1083-R1093 IonicContact OE2-NE 3.86Å; E1083-R1093 IonicContact OE2-NH2 3.87Å; E1083-R1093 PolarHBondContact OE2-NH2 3.1Å; E1083-T1095 WeakPolarHBondContact CB-OG1 3.2Å; E1083-T1095 WeakPolarHBondContact CG-OG1 2.98Å; E1083-T1095 WeakPolarHBondContact OE1-CA 3.5Å; E1083-T1095 VanDerWaalsContact OE1-CB 3.3Å; E1083-T1095 WeakPolarHBondContact OE1-CB 2.94Å; E1083-T1095 WeakPolarHBondContact OE1-CG2 3.28Å; E1083-T1095 PolarHBondContact OE1-OG1 3.06Å |
| 1084 | K | 96.8 | Very high | 95.9 | Very high | 67 Ų | 67 | 72.2 Ų | 72.2 | 29% | 0.291 | 35% | 0.347 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.9 | 128.6 | 171.9 | -175.8 | 71.1 | -166.7 | 73.2 | 0 | 109.5 | Y1077 S1086 K1088 V1091 Y1092 | Y1077-K1084 HydrophobicContact CE1-CB 4.19Å; Y1077-K1084 HydrophobicContact CE2-CB 4.13Å; K1084-S1086 PolarHBondContact O-N 3.21Å; K1084-K1088 PolarHBondContact NZ-O 3.38Å; K1084-V1091 PolarHBondContact NZ-O 2.83Å; K1084-Y1092 HydrophobicContact CD-CD1 3.94Å; K1084-Y1092 HydrophobicContact CD-CE1 3.43Å; K1084-Y1092 VanDerWaalsContact CD-CE1 3.43Å |
| 1085 | V | 96.6 | Very high | 95.6 | Very high | 17 Ų | 17 | 69.9 Ų | 69.9 | 10% | 0.103 | 34% | 0.344 | C | S | . | . | P | Polyproline II helix | trans | -79.8 | 119 | 168.2 | -175.5 | 0 | 0 | 0 | 0 | 109 | E1042 K1088 V1091 R1093 | E1042-V1085 HydrophobicContact CG-CG2 4.15Å; V1085-K1088 HydrophobicContact CG1-CB 4.4Å; V1085-K1088 HydrophobicContact CG1-CD 3.76Å; V1085-K1088 HydrophobicContact CG1-CG 4.16Å; V1085-V1091 HydrophobicContact CB-CB 4.43Å; V1085-V1091 HydrophobicContact CB-CG1 4.03Å; V1085-V1091 HydrophobicContact CG2-CG1 3.97Å; V1085-V1091 PolarHBondContact N-O 2.89Å; V1085-R1093 HydrophobicContact CG2-CB 4.11Å |
| 1086 | S | 95.6 | Very high | 94.7 | Very high | 109 Ų | 109 | 66.8 Ų | 66.8 | 76% | 0.762 | 33% | 0.331 | S | S | * | . | S | Bend | trans | -62.1 | 154.6 | 179 | -55.2 | 0 | 0 | 0 | 0 | 112.1 | K1084 K1088 | K1084-S1086 PolarHBondContact O-N 3.21Å; S1086-K1088 PolarHBondContact O-N 2.85Å |
| 1087 | G | 95.3 | Very high | 93.8 | Very high | 89 Ų | 89 | 69.5 Ų | 69.5 | 92% | 0.918 | 35% | 0.348 | S | S | * | . | S | Bend | trans | 69.2 | -36.4 | -177.9 | 0 | 0 | 0 | 0 | 0 | 116 | | |
| 1088 | K | 96.3 | Very high | 92.9 | Very high | 83 Ų | 83 | 67 Ų | 67 | 36% | 0.361 | 34% | 0.339 | S | S | . | . | S | Bend | trans | -85.1 | 114 | -176.3 | -62.1 | -176.1 | -172.7 | 171.4 | 0 | 112.2 | E1042 K1084 V1085 S1086 Y1090 V1091 | E1042-K1088 IonicContact OE1-NZ 3.51Å; E1042-K1088 PolarHBondContact OE1-NZ 3.35Å; E1042-K1088 IonicContact OE2-NZ 2.65Å; E1042-K1088 PolarHBondContact OE2-NZ 3.4Å; K1084-K1088 PolarHBondContact NZ-O 3.38Å; V1085-K1088 HydrophobicContact CG1-CB 4.4Å; V1085-K1088 HydrophobicContact CG1-CD 3.76Å; V1085-K1088 HydrophobicContact CG1-CG 4.16Å; S1086-K1088 PolarHBondContact O-N 2.85Å; K1088-Y1090 PolarHBondContact O-N 2.76Å; K1088-V1091 HydrophobicContact CB-CB 3.63Å; K1088-V1091 HydrophobicContact CB-CG1 4.32Å; K1088-V1091 HydrophobicContact CB-CG2 3.7Å; K1088-V1091 HydrophobicContact CD-CB 4.13Å; K1088-V1091 HydrophobicContact CD-CG1 3.92Å; K1088-V1091 HydrophobicContact CD-CG2 4.15Å |
| 1089 | R | 97 | Very high | 91.8 | Very high | 181 Ų | 181 | 61.2 Ų | 61.2 | 68% | 0.683 | 31% | 0.308 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.8 | 134.6 | 173.7 | -65.1 | -173.5 | 77.2 | -174.8 | 7.4 | 111.6 | V1091 | R1089-V1091 PolarHBondContact O-N 3.11Å; R1089-V1091 VanDerWaalsContact O-N 3.08Å |
| 1090 | Y | 98.1 | Very high | 90.7 | Very high | 75 Ų | 75 | 59.4 Ų | 59.4 | 29% | 0.294 | 30% | 0.301 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 58.3 | 13.1 | 178.6 | -46.9 | -56.1 | 0 | 0 | 0 | 117.3 | L1045 P1048 Y1066 K1088 Y1092 | L1045-Y1090 PolarHBondContact N-O 3.13Å; L1045-Y1090 WeakPolarHBondContact O-CB 3.48Å; P1048-Y1090 HydrophobicContact CB-CD1 4.27Å; P1048-Y1090 HydrophobicContact CB-CE1 4.45Å; P1048-Y1090 HydrophobicContact CG-CD1 3.61Å; P1048-Y1090 HydrophobicContact CG-CD2 3.76Å; P1048-Y1090 HydrophobicContact CG-CE1 3.9Å; P1048-Y1090 HydrophobicContact CG-CE2 4.02Å; P1048-Y1090 HydrophobicContact CG-CG 3.56Å; Y1066-Y1090 HydrophobicContact CD1-CE1 4.35Å; Y1066-Y1090 HydrophobicContact CE1-CD1 4.1Å; Y1066-Y1090 AromaticContact CE1-CE1 3.69Å; Y1066-Y1090 HydrophobicContact CE1-CE1 3.69Å; Y1066-Y1090 HydrophobicContact CE2-CD1 4.24Å; Y1066-Y1090 AromaticContact CZ-CD1 3.71Å; Y1066-Y1090 AromaticContact CZ-CE1 3.81Å; K1088-Y1090 PolarHBondContact O-N 2.76Å; Y1090-Y1092 WeakPolarHBondContact O-CD2 3.47Å |
| 1091 | V | 97.8 | Very high | 89.7 | Confident | 7 Ų | 7 | 53.6 Ų | 53.6 | 4% | 0.042 | 28% | 0.276 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.4 | 138.7 | 175.9 | -177.6 | 0 | 0 | 0 | 0 | 111.8 | T1037 E1042 F1043 K1044 K1084 V1085 K1088 R1089 | T1037-V1091 HydrophobicContact CG2-CG1 4.25Å; E1042-V1091 HydrophobicContact CG-CG1 3.32Å; E1042-V1091 WeakPolarHBondContact OE1-CG1 3.11Å; F1043-V1091 WeakPolarHBondContact O-CA 3.36Å; K1044-V1091 HydrophobicContact CB-CG2 3.97Å; K1044-V1091 HydrophobicContact CD-CG2 4.08Å; K1044-V1091 HydrophobicContact CG-CG2 3.83Å; K1084-V1091 PolarHBondContact NZ-O 2.83Å; V1085-V1091 HydrophobicContact CB-CB 4.43Å; V1085-V1091 HydrophobicContact CB-CG1 4.03Å; V1085-V1091 HydrophobicContact CG2-CG1 3.97Å; V1085-V1091 PolarHBondContact N-O 2.89Å; K1088-V1091 HydrophobicContact CB-CB 3.63Å; K1088-V1091 HydrophobicContact CB-CG1 4.32Å; K1088-V1091 HydrophobicContact CB-CG2 3.7Å; K1088-V1091 HydrophobicContact CD-CB 4.13Å; K1088-V1091 HydrophobicContact CD-CG1 3.92Å; K1088-V1091 HydrophobicContact CD-CG2 4.15Å; R1089-V1091 PolarHBondContact O-N 3.11Å; R1089-V1091 VanDerWaalsContact O-N 3.08Å |
| 1092 | Y | 98.1 | Very high | 88.8 | Confident | 4 Ų | 4 | 53.7 Ų | 53.7 | 2% | 0.016 | 28% | 0.277 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.6 | 162.4 | -175.7 | -65 | -85.9 | 0 | 0 | 0 | 109.6 | E1042 F1043 L1045 Y1066 L1073 Y1077 I1082 E1083 K1084 Y1090 | E1042-Y1092 CarbonylContact C-O 3.19Å; E1042-Y1092 WeakPolarHBondContact CA-O 3.12Å; F1043-Y1092 HydrophobicContact CE2-CD2 4.29Å; F1043-Y1092 HydrophobicContact CE2-CG 4.37Å; F1043-Y1092 VanDerWaalsContact CZ-CB 3.46Å; F1043-Y1092 HydrophobicContact CZ-CG 4.23Å; F1043-Y1092 PolarHBondContact N-O 3.48Å; F1043-Y1092 PolarHBondContact O-N 3.04Å; F1043-Y1092 VanDerWaalsContact O-O 3.1Å; L1045-Y1092 HydrophobicContact CD1-CD2 4.48Å; L1045-Y1092 HydrophobicContact CD1-CE2 4.01Å; L1045-Y1092 HydrophobicContact CG-CE2 4.48Å; Y1066-Y1092 PolarHBondContact OH-OH 3.45Å; L1073-Y1092 HydrophobicContact CB-CE1 4.12Å; L1073-Y1092 HydrophobicContact CD1-CD1 4.15Å; L1073-Y1092 HydrophobicContact CD1-CD2 4.11Å; L1073-Y1092 HydrophobicContact CD1-CE1 3.7Å; L1073-Y1092 HydrophobicContact CD1-CE2 3.67Å; L1073-Y1092 HydrophobicContact CD1-CG 4.34Å; L1073-Y1092 VanDerWaalsContact CD1-CZ 3.45Å; L1073-Y1092 HydrophobicContact CG-CE1 4.46Å; Y1077-Y1092 HydrophobicContact CE1-CE1 4.45Å; I1082-Y1092 HydrophobicContact CG2-CD1 4.08Å; I1082-Y1092 HydrophobicContact CG2-CG 4.39Å; E1083-Y1092 WeakPolarHBondContact O-CA 3.29Å; K1084-Y1092 HydrophobicContact CD-CD1 3.94Å; K1084-Y1092 HydrophobicContact CD-CE1 3.43Å; K1084-Y1092 VanDerWaalsContact CD-CE1 3.43Å; Y1090-Y1092 WeakPolarHBondContact O-CD2 3.47Å |
| 1093 | R | 95.8 | Very high | 87.4 | Confident | 84 Ų | 84 | 57.3 Ų | 57.3 | 32% | 0.317 | 30% | 0.296 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.7 | 144.2 | 175.4 | 171.4 | 173.3 | 60.6 | -134 | -0.1 | 110.5 | E1040 N1041 E1042 I1082 E1083 V1085 | E1040-R1093 WeakPolarHBondContact O-CD 3.31Å; N1041-R1093 HydrophobicContact CB-CG 4.14Å; N1041-R1093 CarbonylContact O-C 3.35Å; N1041-R1093 VanDerWaalsContact O-CA 3.29Å; N1041-R1093 WeakPolarHBondContact O-CA 3.47Å; E1042-R1093 HydrophobicContact CB-CB 4.45Å; I1082-R1093 CarbonylContact C-O 3.52Å; I1082-R1093 VanDerWaalsContact CA-O 3.23Å; I1082-R1093 WeakPolarHBondContact CA-O 3.44Å; E1083-R1093 VanDerWaalsContact CD-NH2 3.25Å; E1083-R1093 HydrophobicContact CG-CB 3.9Å; E1083-R1093 HydrophobicContact CG-CG 4.48Å; E1083-R1093 PolarHBondContact N-O 3.21Å; E1083-R1093 PolarHBondContact O-N 2.97Å; E1083-R1093 IonicContact OE1-CZ 3.64Å; E1083-R1093 IonicContact OE1-NE 2.77Å; E1083-R1093 PolarHBondContact OE1-NE 3.47Å; E1083-R1093 IonicContact OE1-NH2 3.58Å; E1083-R1093 IonicContact OE2-CZ 2.73Å; E1083-R1093 IonicContact OE2-NE 3.86Å; E1083-R1093 IonicContact OE2-NH2 3.87Å; E1083-R1093 PolarHBondContact OE2-NH2 3.1Å; V1085-R1093 HydrophobicContact CG2-CB 4.11Å |
| 1094 | F | 95.8 | Very high | 85.9 | Confident | 2 Ų | 2 | 58 Ų | 58 | 1% | 0.009 | 30% | 0.302 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -80 | 117 | 165.5 | -69.4 | -94.7 | 0 | 0 | 0 | 109.5 | W1018 L1022 L1025 W1036 N1041 F1043 I1081 I1082 L1098 L1101 | W1018-F1094 HydrophobicContact CB-CE1 4.24Å; W1018-F1094 HydrophobicContact CE3-CE1 4.31Å; L1022-F1094 HydrophobicContact CB-CZ 4.25Å; L1025-F1094 HydrophobicContact CD1-CE2 3.91Å; W1036-F1094 HydrophobicContact CH2-CD2 4.01Å; W1036-F1094 HydrophobicContact CH2-CE2 4.04Å; W1036-F1094 HydrophobicContact CZ3-CD2 4.13Å; W1036-F1094 HydrophobicContact CZ3-CE2 4.41Å; N1041-F1094 HydrophobicContact CB-CB 4.12Å; N1041-F1094 WeakPolarHBondContact CB-O 3.32Å; N1041-F1094 PolarHBondContact O-N 2.99Å; F1043-F1094 AromaticContact CD1-CD2 3.75Å; F1043-F1094 HydrophobicContact CD1-CD2 3.75Å; F1043-F1094 AromaticContact CD1-CE2 3.62Å; F1043-F1094 HydrophobicContact CD1-CE2 3.62Å; F1043-F1094 AromaticContact CE1-CD2 3.59Å; F1043-F1094 HydrophobicContact CE1-CD2 3.59Å; F1043-F1094 AromaticContact CE1-CE2 3.36Å; F1043-F1094 HydrophobicContact CE1-CE2 3.36Å; F1043-F1094 HydrophobicContact CE1-CG 4.46Å; F1043-F1094 HydrophobicContact CE1-CZ 4.1Å; F1043-F1094 HydrophobicContact CZ-CE2 4.13Å; I1081-F1094 WeakPolarHBondContact O-CA 3.46Å; I1082-F1094 HydrophobicContact CD1-CD1 4.23Å; I1082-F1094 HydrophobicContact CD1-CE1 3.72Å; I1082-F1094 HydrophobicContact CD1-CZ 4.02Å; I1082-F1094 HydrophobicContact CG1-CD1 3.58Å; I1082-F1094 HydrophobicContact CG1-CE1 3.62Å; I1082-F1094 HydrophobicContact CG1-CG 4.14Å; I1082-F1094 HydrophobicContact CG1-CZ 4.18Å; F1094-L1098 HydrophobicContact CB-CD2 4.03Å; F1094-L1098 HydrophobicContact CD1-CD2 4Å; F1094-L1098 HydrophobicContact CD2-CD2 4.22Å; F1094-L1098 HydrophobicContact CE1-CD2 4.48Å; F1094-L1098 HydrophobicContact CG-CD2 3.85Å; F1094-L1101 HydrophobicContact CD1-CD1 3.78Å |
| 1095 | T | 90.3 | Very high | 84.1 | Confident | 55 Ų | 55 | 57.1 Ų | 57.1 | 34% | 0.337 | 30% | 0.298 | S | S | . | . | | | trans | -78.6 | -36.7 | -171.2 | -49.4 | 0 | 0 | 0 | 0 | 112.9 | K1080 I1081 E1083 | K1080-T1095 HydrophobicContact CB-CG2 4.31Å; K1080-T1095 HydrophobicContact CD-CG2 4.39Å; I1081-T1095 PolarHBondContact O-N 2.89Å; I1081-T1095 VanDerWaalsContact O-N 3.14Å; E1083-T1095 WeakPolarHBondContact CB-OG1 3.2Å; E1083-T1095 WeakPolarHBondContact CG-OG1 2.98Å; E1083-T1095 WeakPolarHBondContact OE1-CA 3.5Å; E1083-T1095 VanDerWaalsContact OE1-CB 3.3Å; E1083-T1095 WeakPolarHBondContact OE1-CB 2.94Å; E1083-T1095 WeakPolarHBondContact OE1-CG2 3.28Å; E1083-T1095 PolarHBondContact OE1-OG1 3.06Å |
| 1096 | R | 78.2 | Confident | 81.9 | Confident | 75 Ų | 75 | 61.5 Ų | 61.5 | 28% | 0.283 | 32% | 0.321 | S | S | . | . | S | Bend | trans | -87.8 | 150.8 | 173.8 | -108.9 | -175.8 | -75 | -177.8 | -9.2 | 110.2 | K1079 K1080 L1098 E1100 L1101 N1104 | K1079-R1096 PolarHBondContact O-NH2 2.8Å; K1080-R1096 PolarHBondContact O-NE 3.33Å; R1096-L1098 PolarHBondContact O-N 3.05Å; R1096-E1100 WeakPolarHBondContact CD-OE2 3.05Å; R1096-E1100 WeakPolarHBondContact CG-OE2 3.49Å; R1096-L1101 HydrophobicContact CB-CD1 4.34Å; R1096-L1101 HydrophobicContact CB-CD2 3.75Å; R1096-L1101 HydrophobicContact CB-CG 3.84Å; R1096-N1104 PolarHBondContact NH1-ND2 3.37Å |
| 1097 | N | 77.4 | Confident | 79.6 | Confident | 83 Ų | 83 | 60.2 Ų | 60.2 | 44% | 0.444 | 31% | 0.308 | S | S | . | . | | | trans | -54.8 | 129.9 | 169.7 | -167.8 | -33.5 | 0 | 0 | 0 | 108.7 | N1099 E1100 L1101 | N1097-N1099 PolarHBondContact O-N 3.43Å; N1097-N1099 VanDerWaalsContact O-N 3.1Å; N1097-N1099 PolarHBondContact OD1-N 3.48Å; N1097-E1100 HydrophobicContact CB-CG 4.31Å; N1097-E1100 WeakPolarHBondContact O-CB 3.49Å; N1097-E1100 PolarHBondContact O-N 2.8Å; N1097-L1101 PolarHBondContact O-N 2.86Å |
| 1098 | L | 76.6 | Confident | 77.1 | Confident | 11 Ų | 11 | 61.4 Ų | 61.4 | 6% | 0.058 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -55.3 | -35.3 | -174.1 | -69.5 | 171.3 | 0 | 0 | 0 | 111.3 | L1022 W1036 F1094 R1096 E1100 L1101 I1102 | L1022-L1098 HydrophobicContact CD1-CD1 4.07Å; L1022-L1098 HydrophobicContact CD1-CD2 3.82Å; L1022-L1098 HydrophobicContact CD2-CD2 4.09Å; W1036-L1098 HydrophobicContact CH2-CD1 4.3Å; F1094-L1098 HydrophobicContact CB-CD2 4.03Å; F1094-L1098 HydrophobicContact CD1-CD2 4Å; F1094-L1098 HydrophobicContact CD2-CD2 4.22Å; F1094-L1098 HydrophobicContact CE1-CD2 4.48Å; F1094-L1098 HydrophobicContact CG-CD2 3.85Å; R1096-L1098 PolarHBondContact O-N 3.05Å; L1098-E1100 VanDerWaalsContact C-N 3.3Å; L1098-E1100 PolarHBondContact O-N 2.89Å; L1098-L1101 HydrophobicContact CD2-CD1 4.42Å; L1098-L1101 PolarHBondContact O-N 3.05Å; L1098-L1101 VanDerWaalsContact O-N 3.14Å; L1098-I1102 VanDerWaalsContact O-CD1 3.31Å; L1098-I1102 WeakPolarHBondContact O-CD1 3.45Å; L1098-I1102 WeakPolarHBondContact O-CG1 3.46Å; L1098-I1102 PolarHBondContact O-N 3.14Å |
| 1099 | N | 68 | Low | 74.5 | Confident | 22 Ų | 22 | 60.4 Ų | 60.4 | 12% | 0.118 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -58.5 | -38.2 | 176.2 | -61.5 | -22.9 | 0 | 0 | 0 | 112.5 | N1097 N1103 H1140 | N1097-N1099 PolarHBondContact O-N 3.43Å; N1097-N1099 VanDerWaalsContact O-N 3.1Å; N1097-N1099 PolarHBondContact OD1-N 3.48Å; N1099-N1103 VanDerWaalsContact O-CB 3.29Å; N1099-N1103 WeakPolarHBondContact O-CB 3.42Å; N1099-N1103 PolarHBondContact O-N 3.35Å; N1099-N1103 PolarHBondContact O-ND2 3.42Å; N1099-H1140 PolarHBondContact ND2-CD2 3.1Å; N1099-H1140 PolarHBondContact ND2-NE2 2.61Å; N1099-H1140 VanDerWaalsContact ND2-NE2 3.14Å |
| 1100 | E | 71.8 | Confident | 72 | Confident | 92 Ų | 92 | 56.4 Ų | 56.4 | 43% | 0.43 | 29% | 0.289 | S | S | . | . | H | α-helix | trans | -70.7 | -41.4 | 174.8 | -66.4 | 170.4 | -134.4 | 0 | 0 | 112 | R1096 N1097 L1098 I1102 N1103 N1104 | R1096-E1100 WeakPolarHBondContact CD-OE2 3.05Å; R1096-E1100 WeakPolarHBondContact CG-OE2 3.49Å; N1097-E1100 HydrophobicContact CB-CG 4.31Å; N1097-E1100 WeakPolarHBondContact O-CB 3.49Å; N1097-E1100 PolarHBondContact O-N 2.8Å; L1098-E1100 VanDerWaalsContact C-N 3.3Å; L1098-E1100 PolarHBondContact O-N 2.89Å; E1100-I1102 VanDerWaalsContact C-N 3.25Å; E1100-I1102 PolarHBondContact O-N 3.03Å; E1100-N1103 PolarHBondContact O-N 2.77Å; E1100-N1104 WeakPolarHBondContact O-CB 3.45Å; E1100-N1104 PolarHBondContact O-N 3.17Å; E1100-N1104 PolarHBondContact O-ND2 2.9Å |
| 1101 | L | 72.5 | Confident | 69 | Low | 4 Ų | 4 | 56.6 Ų | 56.6 | 2% | 0.021 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -62.1 | -38.2 | 178.2 | -65 | 179.3 | 0 | 0 | 0 | 111.4 | W1018 I1081 F1094 R1096 N1097 L1098 | W1018-L1101 HydrophobicContact CH2-CB 3.82Å; W1018-L1101 WeakPolarHBondContact CH2-O 3.39Å; W1018-L1101 HydrophobicContact CZ2-CB 4.44Å; W1018-L1101 HydrophobicContact CZ3-CB 3.87Å; I1081-L1101 HydrophobicContact CB-CD2 4.22Å; I1081-L1101 HydrophobicContact CG1-CD2 3.88Å; I1081-L1101 HydrophobicContact CG2-CD1 4.02Å; I1081-L1101 HydrophobicContact CG2-CD2 4.01Å; F1094-L1101 HydrophobicContact CD1-CD1 3.78Å; R1096-L1101 HydrophobicContact CB-CD1 4.34Å; R1096-L1101 HydrophobicContact CB-CD2 3.75Å; R1096-L1101 HydrophobicContact CB-CG 3.84Å; N1097-L1101 PolarHBondContact O-N 2.86Å; L1098-L1101 HydrophobicContact CD2-CD1 4.42Å; L1098-L1101 PolarHBondContact O-N 3.05Å; L1098-L1101 VanDerWaalsContact O-N 3.14Å |
| 1102 | I | 75.4 | Confident | 66.1 | Low | 20 Ų | 20 | 60.8 Ų | 60.8 | 10% | 0.103 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -66.9 | -53 | 174.7 | -65.3 | 161.4 | 0 | 0 | 0 | 110.4 | I1005 L1098 E1100 N1104 Q1105 F1139 | I1005-I1102 HydrophobicContact CD1-CB 4.26Å; I1005-I1102 HydrophobicContact CD1-CD1 3.73Å; I1005-I1102 HydrophobicContact CD1-CG1 3.61Å; I1005-I1102 HydrophobicContact CD1-CG2 3.65Å; I1005-I1102 HydrophobicContact CG1-CG2 4.08Å; L1098-I1102 VanDerWaalsContact O-CD1 3.31Å; L1098-I1102 WeakPolarHBondContact O-CD1 3.45Å; L1098-I1102 WeakPolarHBondContact O-CG1 3.46Å; L1098-I1102 PolarHBondContact O-N 3.14Å; E1100-I1102 VanDerWaalsContact C-N 3.25Å; E1100-I1102 PolarHBondContact O-N 3.03Å; I1102-N1104 PolarHBondContact O-N 3.12Å; I1102-Q1105 PolarHBondContact O-N 2.94Å; I1102-F1139 HydrophobicContact CD1-CE1 3.86Å; I1102-F1139 HydrophobicContact CD1-CZ 4.35Å |
| 1103 | N | 66.8 | Low | 63.2 | Low | 75 Ų | 75 | 64.5 Ų | 64.5 | 40% | 0.401 | 36% | 0.358 | S | S | . | . | H | α-helix | trans | -65.1 | -35.3 | -176.2 | -70.1 | -17.3 | 0 | 0 | 0 | 112.9 | N1099 E1100 Q1105 L1106 T1107 | N1099-N1103 VanDerWaalsContact O-CB 3.29Å; N1099-N1103 WeakPolarHBondContact O-CB 3.42Å; N1099-N1103 PolarHBondContact O-N 3.35Å; N1099-N1103 PolarHBondContact O-ND2 3.42Å; E1100-N1103 PolarHBondContact O-N 2.77Å; N1103-Q1105 PolarHBondContact O-N 3.47Å; N1103-L1106 WeakPolarHBondContact O-CB 3.35Å; N1103-L1106 PolarHBondContact O-N 3.37Å; N1103-T1107 PolarHBondContact O-N 2.91Å |
| 1104 | N | 62.8 | Low | 60.2 | Low | 64 Ų | 64 | 64.4 Ų | 64.4 | 34% | 0.342 | 37% | 0.37 | S | S | . | . | H | α-helix | trans | -66.6 | -20.9 | 177.6 | -76.9 | -60.9 | 0 | 0 | 0 | 113.5 | R1096 E1100 I1102 L1106 T1107 E1108 | R1096-N1104 PolarHBondContact NH1-ND2 3.37Å; E1100-N1104 WeakPolarHBondContact O-CB 3.45Å; E1100-N1104 PolarHBondContact O-N 3.17Å; E1100-N1104 PolarHBondContact O-ND2 2.9Å; I1102-N1104 PolarHBondContact O-N 3.12Å; N1104-L1106 VanDerWaalsContact C-N 3.34Å; N1104-T1107 WeakPolarHBondContact CA-OG1 3.14Å; N1104-T1107 PolarHBondContact O-OG1 3.44Å; N1104-T1107 VanDerWaalsContact O-OG1 3.05Å; N1104-E1108 WeakPolarHBondContact O-CG 3.17Å; N1104-E1108 PolarHBondContact O-N 2.94Å |
| 1105 | Q | 60.8 | Low | 57.2 | Low | 47 Ų | 47 | 69.8 Ų | 69.8 | 22% | 0.22 | 41% | 0.407 | C | S | . | . | H | α-helix | trans | -73.5 | -28 | 171.3 | -67.9 | -68.6 | -85 | 0 | 0 | 112.6 | W1018 Q1019 I1102 N1103 T1107 E1108 S1109 | W1018-Q1105 HydrophobicContact CH2-CG 4.14Å; W1018-Q1105 HydrophobicContact CZ2-CG 3.65Å; Q1019-Q1105 VanDerWaalsContact NE2-OE1 3.08Å; I1102-Q1105 PolarHBondContact O-N 2.94Å; N1103-Q1105 PolarHBondContact O-N 3.47Å; Q1105-T1107 VanDerWaalsContact C-N 3.34Å; Q1105-E1108 PolarHBondContact NE2-OE2 3.48Å; Q1105-S1109 PolarHBondContact O-N 3.5Å; Q1105-S1109 PolarHBondContact O-OG 2.76Å |
| 1106 | L | 50.4 | Low | 54.4 | Low | 110 Ų | 110 | 71.8 Ų | 71.8 | 58% | 0.576 | 42% | 0.424 | S | S | * | . | H | α-helix | trans | -77.6 | -21 | 177.4 | -59.9 | 174.5 | 0 | 0 | 0 | 112.1 | N1103 N1104 S1109 V1110 | N1103-L1106 WeakPolarHBondContact O-CB 3.35Å; N1103-L1106 PolarHBondContact O-N 3.37Å; N1104-L1106 VanDerWaalsContact C-N 3.34Å; L1106-S1109 PolarHBondContact O-OG 3.21Å; L1106-V1110 WeakPolarHBondContact O-CG2 3.26Å |
| 1107 | T | 45.8 | Very low | 52.2 | Low | 82 Ų | 82 | 76.2 Ų | 76.2 | 50% | 0.503 | 45% | 0.452 | S | S | . | . | H | α-helix | trans | -88.6 | -43 | 175 | 53.7 | 0 | 0 | 0 | 0 | 112.3 | N1103 N1104 Q1105 S1109 V1110 S1111 | N1103-T1107 PolarHBondContact O-N 2.91Å; N1104-T1107 WeakPolarHBondContact CA-OG1 3.14Å; N1104-T1107 PolarHBondContact O-OG1 3.44Å; N1104-T1107 VanDerWaalsContact O-OG1 3.05Å; Q1105-T1107 VanDerWaalsContact C-N 3.34Å; T1107-S1109 VanDerWaalsContact C-N 3.25Å; T1107-S1109 PolarHBondContact O-N 3.24Å; T1107-V1110 PolarHBondContact O-N 3.28Å; T1107-S1111 PolarHBondContact O-N 2.8Å; T1107-S1111 VanDerWaalsContact O-N 3.13Å; T1107-S1111 PolarHBondContact O-OG 3.12Å; T1107-S1111 VanDerWaalsContact O-OG 3.13Å |
| 1108 | E | 42.5 | Very low | 50 | Low | 113 Ų | 113 | 77.4 Ų | 77.4 | 53% | 0.528 | 47% | 0.467 | S | S | . | . | H | α-helix | trans | -56.2 | -38.9 | 176.4 | -77.3 | -176.8 | 154.6 | 0 | 0 | 112.2 | N1104 Q1105 V1110 S1111 S1112 | N1104-E1108 WeakPolarHBondContact O-CG 3.17Å; N1104-E1108 PolarHBondContact O-N 2.94Å; Q1105-E1108 PolarHBondContact NE2-OE2 3.48Å; E1108-V1110 PolarHBondContact O-N 2.83Å; E1108-S1111 WeakPolarHBondContact CA-OG 3.18Å; E1108-S1111 PolarHBondContact O-N 3.13Å; E1108-S1111 PolarHBondContact O-OG 3.05Å; E1108-S1112 PolarHBondContact O-N 2.96Å; E1108-S1112 PolarHBondContact O-OG 3.5Å |
| 1109 | S | 41.9 | Very low | 48 | Very low | 63 Ų | 63 | 82.2 Ų | 82.2 | 44% | 0.441 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -71.6 | -22.2 | -178.5 | 45.5 | 0 | 0 | 0 | 0 | 115.2 | Q1105 L1106 T1107 S1113 | Q1105-S1109 PolarHBondContact O-N 3.5Å; Q1105-S1109 PolarHBondContact O-OG 2.76Å; L1106-S1109 PolarHBondContact O-OG 3.21Å; T1107-S1109 VanDerWaalsContact C-N 3.25Å; T1107-S1109 PolarHBondContact O-N 3.24Å; S1109-S1113 PolarHBondContact O-OG 2.65Å |
| 1110 | V | 45.1 | Very low | 46.3 | Very low | 96 Ų | 96 | 86.4 Ų | 86.4 | 58% | 0.582 | 53% | 0.533 | S | S | * | . | H | α-helix | trans | -90 | -32.9 | 175.2 | 178.9 | 0 | 0 | 0 | 0 | 111.3 | L1106 T1107 E1108 S1112 S1113 S1114 | L1106-V1110 WeakPolarHBondContact O-CG2 3.26Å; T1107-V1110 PolarHBondContact O-N 3.28Å; E1108-V1110 PolarHBondContact O-N 2.83Å; V1110-S1112 VanDerWaalsContact C-N 3.34Å; V1110-S1112 PolarHBondContact O-N 3.14Å; V1110-S1113 PolarHBondContact O-OG 2.75Å; V1110-S1114 PolarHBondContact O-OG 3.01Å |
| 1111 | S | 35.4 | Very low | 44.4 | Very low | 80 Ų | 80 | 88.4 Ų | 88.4 | 56% | 0.559 | 55% | 0.551 | S | S | * | * | H | α-helix | trans | -74.4 | -19 | 177.5 | 54.6 | 0 | 0 | 0 | 0 | 114.7 | T1107 E1108 | T1107-S1111 PolarHBondContact O-N 2.8Å; T1107-S1111 VanDerWaalsContact O-N 3.13Å; T1107-S1111 PolarHBondContact O-OG 3.12Å; T1107-S1111 VanDerWaalsContact O-OG 3.13Å; E1108-S1111 WeakPolarHBondContact CA-OG 3.18Å; E1108-S1111 PolarHBondContact O-N 3.13Å; E1108-S1111 PolarHBondContact O-OG 3.05Å |
| 1112 | S | 35.8 | Very low | 42.3 | Very low | 94 Ų | 94 | 93.1 Ų | 93.1 | 66% | 0.657 | 59% | 0.585 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -93.6 | 3.7 | 177.7 | 61.3 | 0 | 0 | 0 | 0 | 114.6 | E1108 V1110 | E1108-S1112 PolarHBondContact O-N 2.96Å; E1108-S1112 PolarHBondContact O-OG 3.5Å; V1110-S1112 VanDerWaalsContact C-N 3.34Å; V1110-S1112 PolarHBondContact O-N 3.14Å |
| 1113 | S | 37.7 | Very low | 40 | Very low | 83 Ų | 83 | 98.3 Ų | 98.3 | 58% | 0.58 | 62% | 0.617 | S | S | * | * | S | Bend | trans | -127 | 2.5 | -174.4 | 48.9 | 0 | 0 | 0 | 0 | 114 | S1109 V1110 | S1109-S1113 PolarHBondContact O-OG 2.65Å; V1110-S1113 PolarHBondContact O-OG 2.75Å |
| 1114 | S | 33.3 | Very low | 38.3 | Very low | 82 Ų | 82 | 101 Ų | 101 | 57% | 0.573 | 64% | 0.636 | S | S | * | * | S | Bend | trans | -111.9 | 1.3 | -169.9 | 39 | 0 | 0 | 0 | 0 | 115.1 | V1110 | V1110-S1114 PolarHBondContact O-OG 3.01Š|
| 1115 | S | 33 | Very low | 36.7 | Very low | 114 Ų | 114 | 103.1 Ų | 103.1 | 80% | 0.797 | 66% | 0.656 | S | S | * | * | S | Bend | trans | -92.6 | 12 | -178.1 | 62 | 0 | 0 | 0 | 0 | 115 | | |
| 1116 | S | 31.5 | Very low | 35.2 | Very low | 97 Ų | 97 | 106.2 Ų | 106.2 | 68% | 0.678 | 68% | 0.683 | S | S | * | * | S | Bend | trans | -144.2 | 41.6 | -172.9 | 70.7 | 0 | 0 | 0 | 0 | 115.5 | | |
| 1117 | L | 31.8 | Very low | 34.3 | Very low | 168 Ų | 168 | 108.1 Ų | 108.1 | 88% | 0.88 | 69% | 0.693 | S | S | * | * | | | trans | -160.6 | 124.5 | 147.2 | -135.7 | 68.8 | 0 | 0 | 0 | 110.9 | | |
| 1118 | S | 32 | Very low | 33.6 | Very low | 108 Ų | 108 | 111.5 Ų | 111.5 | 76% | 0.755 | 71% | 0.713 | S | S | * | * | | | trans | -142.8 | 138.1 | 173.2 | 60.7 | 0 | 0 | 0 | 0 | 109 | | |
| 1119 | S | 33 | Very low | 33.3 | Very low | 113 Ų | 113 | 110.8 Ų | 110.8 | 79% | 0.79 | 72% | 0.717 | S | S | * | * | | | trans | 60.4 | 133.1 | -154.1 | 75.8 | 0 | 0 | 0 | 0 | 112.9 | | |
| 1120 | S | 32.5 | Very low | 32.7 | Very low | 110 Ų | 110 | 111.8 Ų | 111.8 | 77% | 0.769 | 72% | 0.724 | S | S | * | * | | | cis | -153.4 | 169.3 | -6.4 | 56.4 | 0 | 0 | 0 | 0 | 107.7 | | |
| 1121 | T | 32.4 | Very low | 32.2 | Very low | 133 Ų | 133 | 111.5 Ų | 111.5 | 82% | 0.816 | 73% | 0.726 | S | S | * | * | | | cis | -139.3 | 168.3 | 16 | 45 | 0 | 0 | 0 | 0 | 111.6 | | |
| 1122 | S | 27.5 | Very low | 32.2 | Very low | 104 Ų | 104 | 112 Ų | 112 | 73% | 0.727 | 73% | 0.73 | S | S | * | * | | | trans | -88.7 | 130.9 | 174.8 | 53.4 | 0 | 0 | 0 | 0 | 114.2 | | |
| 1123 | T | 28.6 | Very low | 32.2 | Very low | 129 Ų | 129 | 113.2 Ų | 113.2 | 79% | 0.791 | 73% | 0.728 | S | S | * | * | | | | 172.7 | 160.9 | 124.4 | 31 | 0 | 0 | 0 | 0 | 113.7 | | |
| 1124 | T | 30.4 | Very low | 32 | Very low | 130 Ų | 130 | 118.1 Ų | 118.1 | 80% | 0.798 | 73% | 0.733 | S | S | * | * | | | trans | 82.3 | 139.6 | 168.2 | 72.4 | 0 | 0 | 0 | 0 | 121.2 | | |
| 1125 | S | 29.1 | Very low | 32.2 | Very low | 109 Ų | 109 | 121.3 Ų | 121.3 | 76% | 0.762 | 74% | 0.737 | S | S | * | * | | | trans | 57.9 | 85.6 | 159.6 | 38.3 | 0 | 0 | 0 | 0 | 120.3 | | |
| 1126 | S | 30 | Very low | 32.3 | Very low | 112 Ų | 112 | 119.4 Ų | 119.4 | 78% | 0.783 | 72% | 0.718 | S | S | * | * | | | trans | -43.9 | 130.9 | 141.2 | 50.6 | 0 | 0 | 0 | 0 | 114.1 | | |
| 1127 | L | 30 | Very low | 32.5 | Very low | 151 Ų | 151 | 120.3 Ų | 120.3 | 79% | 0.791 | 71% | 0.711 | S | S | * | * | | | trans | 179.6 | 86.5 | 144.9 | -102.2 | 162.4 | 0 | 0 | 0 | 111.2 | | |
| 1128 | V | 32.9 | Very low | 32.6 | Very low | 152 Ų | 152 | 119.6 Ų | 119.6 | 92% | 0.921 | 70% | 0.703 | S | S | * | * | | | trans | -133.4 | 64.1 | 169.4 | -167.3 | 0 | 0 | 0 | 0 | 109.4 | | |
| 1129 | T | 34.5 | Very low | 32.9 | Very low | 98 Ų | 98 | 115.8 Ų | 115.8 | 60% | 0.601 | 67% | 0.673 | S | S | * | * | | | trans | -121.2 | 148.4 | -171.9 | 39.4 | 0 | 0 | 0 | 0 | 113.7 | S1131 | T1129-S1131 VanDerWaalsContact C-N 3.35Å; T1129-S1131 PolarHBondContact O-N 2.92Å |
| 1130 | S | 30.3 | Very low | 33.2 | Very low | 84 Ų | 84 | 114 Ų | 114 | 59% | 0.587 | 65% | 0.652 | S | S | * | * | S | Bend | trans | 70.2 | -21.4 | 157.8 | -52.9 | 0 | 0 | 0 | 0 | 120.7 | | |
| 1131 | S | 34.8 | Very low | 33.6 | Very low | 90 Ų | 90 | 113.7 Ų | 113.7 | 63% | 0.629 | 64% | 0.642 | S | S | * | * | H | α-helix | trans | -80.1 | -45.7 | -173.7 | 59.4 | 0 | 0 | 0 | 0 | 114.9 | T1129 | T1129-S1131 VanDerWaalsContact C-N 3.35Å; T1129-S1131 PolarHBondContact O-N 2.92Å |
| 1132 | S | 35.4 | Very low | 34 | Very low | 91 Ų | 91 | 109.7 Ų | 109.7 | 64% | 0.636 | 61% | 0.613 | S | S | * | * | H | α-helix | trans | -73.8 | -26.6 | -175.3 | -58.8 | 0 | 0 | 0 | 0 | 114.5 | | |
| 1133 | I | 35.1 | Very low | 34.9 | Very low | 120 Ų | 120 | 106.3 Ų | 106.3 | 62% | 0.615 | 59% | 0.586 | S | S | * | * | H | α-helix | trans | -72.5 | -40.2 | -173.5 | -63.7 | 174.2 | 0 | 0 | 0 | 111.8 | K1135 N1136 | I1133-K1135 VanDerWaalsContact C-N 3.28Å; I1133-K1135 PolarHBondContact O-N 3.05Å; I1133-N1136 PolarHBondContact O-N 2.85Å |
| 1134 | R | 34.5 | Very low | 35.7 | Very low | 185 Ų | 185 | 104.3 Ų | 104.3 | 70% | 0.698 | 57% | 0.571 | S | S | * | * | H | α-helix | trans | -62.2 | -31.6 | -177.8 | -68.5 | -171.4 | -179.2 | -166.3 | 0.7 | 113.5 | N1136 Q1137 | R1134-N1136 PolarHBondContact O-N 3.03Å; R1134-Q1137 PolarHBondContact O-N 2.78Å |
| 1135 | K | 36 | Very low | 36.1 | Very low | 149 Ų | 149 | 103 Ų | 103 | 65% | 0.648 | 56% | 0.557 | S | S | * | * | H | α-helix | trans | -68.1 | -33.7 | 179.5 | -68.9 | -172.5 | 177.4 | -177.2 | 0 | 112.7 | I1133 | I1133-K1135 VanDerWaalsContact C-N 3.28Å; I1133-K1135 PolarHBondContact O-N 3.05Å |
| 1136 | N | 35.7 | Very low | 37 | Very low | 75 Ų | 75 | 102.5 Ų | 102.5 | 40% | 0.401 | 54% | 0.541 | S | S | . | . | H | α-helix | trans | -73.3 | -33.6 | 178.2 | -74.3 | -4.9 | 0 | 0 | 0 | 112.3 | I1133 R1134 H1138 F1139 H1140 | I1133-N1136 PolarHBondContact O-N 2.85Å; R1134-N1136 PolarHBondContact O-N 3.03Å; N1136-H1138 VanDerWaalsContact C-N 3.32Å; N1136-H1138 PolarHBondContact O-N 3.4Å; N1136-F1139 PolarHBondContact O-N 2.95Å; N1136-H1140 WeakPolarHBondContact O-CB 3.12Å; N1136-H1140 PolarHBondContact O-N 2.94Å |
| 1137 | Q | 36 | Very low | 37.5 | Very low | 115 Ų | 115 | 100.4 Ų | 100.4 | 54% | 0.537 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -60.2 | -40.6 | 175 | -70 | 177.3 | -50.1 | 0 | 0 | 112 | R1134 F1139 H1140 N1141 | R1134-Q1137 PolarHBondContact O-N 2.78Å; Q1137-F1139 PolarHBondContact O-N 2.97Å; Q1137-H1140 PolarHBondContact O-N 3.18Å; Q1137-N1141 WeakPolarHBondContact O-CB 3.5Å; Q1137-N1141 VanDerWaalsContact O-CG 3.28Å; Q1137-N1141 PolarHBondContact O-N 2.83Å; Q1137-N1141 PolarHBondContact O-OD1 3.17Å |
| 1138 | H | 34.6 | Very low | 37.8 | Very low | 153 Ų | 153 | 99.9 Ų | 99.9 | 71% | 0.708 | 51% | 0.512 | S | S | * | . | H | α-helix | trans | -64.6 | -38.9 | 178.8 | -122.7 | -64.6 | 0 | 0 | 0 | 113 | N1136 F1142 | N1136-H1138 VanDerWaalsContact C-N 3.32Å; N1136-H1138 PolarHBondContact O-N 3.4Å; H1138-F1142 WeakPolarHBondContact O-CB 3.24Å; H1138-F1142 PolarHBondContact O-N 3.28Å; H1138-F1142 VanDerWaalsContact O-N 3.1Å |
| 1139 | F | 38.1 | Very low | 38.1 | Very low | 29 Ų | 29 | 99.3 Ų | 99.3 | 13% | 0.127 | 50% | 0.498 | C | S | . | . | H | α-helix | trans | -69.4 | -41.7 | 174.4 | -179.5 | -103 | 0 | 0 | 0 | 112 | C1003 I1102 N1136 Q1137 N1141 F1142 M1143 | C1003-F1139 WeakPolarHBondContact SG-CE2 3.33Å; I1102-F1139 HydrophobicContact CD1-CE1 3.86Å; I1102-F1139 HydrophobicContact CD1-CZ 4.35Å; N1136-F1139 PolarHBondContact O-N 2.95Å; Q1137-F1139 PolarHBondContact O-N 2.97Å; F1139-N1141 PolarHBondContact O-N 2.78Å; F1139-F1142 PolarHBondContact O-N 3.18Å; F1139-M1143 HydrophobicContact CE1-CG 3.97Å; F1139-M1143 HydrophobicContact CE2-CE 3.79Å; F1139-M1143 HydrophobicContact CE2-CG 4.03Å; F1139-M1143 HydrophobicContact CZ-CE 3.53Å; F1139-M1143 HydrophobicContact CZ-CG 3.72Å; F1139-M1143 HydrophobicContact CZ-SD 4.49Å; F1139-M1143 PolarHBondContact O-N 3.3Å |
| 1140 | H | 38.3 | Very low | 38.7 | Very low | 76 Ų | 76 | 100.1 Ų | 100.1 | 35% | 0.352 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -61.3 | -43.1 | 177.4 | -159.7 | -49.4 | 0 | 0 | 0 | 111.8 | N1099 N1136 Q1137 N1144 | N1099-H1140 PolarHBondContact ND2-CD2 3.1Å; N1099-H1140 PolarHBondContact ND2-NE2 2.61Å; N1099-H1140 VanDerWaalsContact ND2-NE2 3.14Å; N1136-H1140 WeakPolarHBondContact O-CB 3.12Å; N1136-H1140 PolarHBondContact O-N 2.94Å; Q1137-H1140 PolarHBondContact O-N 3.18Å; H1140-N1144 WeakPolarHBondContact O-CB 3.41Å; H1140-N1144 PolarHBondContact O-N 2.95Å |
| 1141 | N | 40.6 | Very low | 39.1 | Very low | 102 Ų | 102 | 99.3 Ų | 99.3 | 55% | 0.545 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -65.6 | -38.6 | 175 | -71 | -0.7 | 0 | 0 | 0 | 111.5 | Q1137 F1139 M1145 | Q1137-N1141 WeakPolarHBondContact O-CB 3.5Å; Q1137-N1141 VanDerWaalsContact O-CG 3.28Å; Q1137-N1141 PolarHBondContact O-N 2.83Å; Q1137-N1141 PolarHBondContact O-OD1 3.17Å; F1139-N1141 PolarHBondContact O-N 2.78Å; N1141-M1145 WeakPolarHBondContact O-CB 3.4Å; N1141-M1145 PolarHBondContact O-N 3.41Å |
| 1142 | F | 42.6 | Very low | 39.1 | Very low | 50 Ų | 50 | 99.2 Ų | 99.2 | 22% | 0.219 | 48% | 0.476 | C | S | . | . | H | α-helix | trans | -69.5 | -42.5 | 179.4 | -176.9 | -116.7 | 0 | 0 | 0 | 113.5 | F1001 H1138 F1139 M1145 K1146 | F1001-F1142 HydrophobicContact CD1-CD1 4.33Å; F1001-F1142 AromaticContact CD1-CE1 3.53Å; F1001-F1142 HydrophobicContact CD1-CE1 3.53Å; F1001-F1142 AromaticContact CD1-CE2 3.86Å; F1001-F1142 HydrophobicContact CD1-CE2 3.86Å; F1001-F1142 AromaticContact CD1-CZ 3.24Å; F1001-F1142 HydrophobicContact CD1-CZ 3.24Å; F1001-F1142 HydrophobicContact CD2-CZ 4.18Å; F1001-F1142 HydrophobicContact CE1-CD2 4.03Å; F1001-F1142 AromaticContact CE1-CE1 3.79Å; F1001-F1142 HydrophobicContact CE1-CE1 3.79Å; F1001-F1142 AromaticContact CE1-CE2 3.19Å; F1001-F1142 HydrophobicContact CE1-CE2 3.19Å; F1001-F1142 AromaticContact CE1-CZ 3.01Å; F1001-F1142 HydrophobicContact CE1-CZ 3.01Å; F1001-F1142 AromaticContact CE2-CZ 3.97Å; F1001-F1142 HydrophobicContact CE2-CZ 3.97Å; F1001-F1142 HydrophobicContact CG-CE1 4.11Å; F1001-F1142 AromaticContact CG-CZ 3.88Å; F1001-F1142 HydrophobicContact CG-CZ 3.88Å; F1001-F1142 HydrophobicContact CZ-CE1 4.49Å; F1001-F1142 AromaticContact CZ-CE2 3.59Å; F1001-F1142 HydrophobicContact CZ-CE2 3.59Å; F1001-F1142 AromaticContact CZ-CZ 3.42Å; F1001-F1142 HydrophobicContact CZ-CZ 3.42Å; F1001-F1142 VanDerWaalsContact CZ-CZ 3.42Å; H1138-F1142 WeakPolarHBondContact O-CB 3.24Å; H1138-F1142 PolarHBondContact O-N 3.28Å; H1138-F1142 VanDerWaalsContact O-N 3.1Å; F1139-F1142 PolarHBondContact O-N 3.18Å; F1142-M1145 HydrophobicContact CD2-CE 4.46Å; F1142-M1145 PolarHBondContact O-N 3.48Å; F1142-K1146 HydrophobicContact CD1-CD 4.49Å; F1142-K1146 HydrophobicContact CE1-CD 3.81Å; F1142-K1146 HydrophobicContact CE2-CD 4.29Å; F1142-K1146 HydrophobicContact CE2-CG 4.38Å; F1142-K1146 HydrophobicContact CZ-CD 3.7Å; F1142-K1146 HydrophobicContact CZ-CG 4.28Å; F1142-K1146 VanDerWaalsContact CZ-NZ 3.29Å; F1142-K1146 PolarHBondContact O-N 2.99Å |
| 1143 | M | 46 | Very low | 39.3 | Very low | 32 Ų | 32 | 102.2 Ų | 102.2 | 16% | 0.158 | 48% | 0.479 | C | S | . | . | H | α-helix | trans | -67.7 | -43 | 175.4 | -76 | -61.3 | -162.9 | 0 | 0 | 111.7 | F1139 M1145 K1146 N1147 | F1139-M1143 HydrophobicContact CE1-CG 3.97Å; F1139-M1143 HydrophobicContact CE2-CE 3.79Å; F1139-M1143 HydrophobicContact CE2-CG 4.03Å; F1139-M1143 HydrophobicContact CZ-CE 3.53Å; F1139-M1143 HydrophobicContact CZ-CG 3.72Å; F1139-M1143 HydrophobicContact CZ-SD 4.49Å; F1139-M1143 PolarHBondContact O-N 3.3Å; M1143-M1145 VanDerWaalsContact C-N 3.35Å; M1143-M1145 PolarHBondContact O-N 2.82Å; M1143-K1146 PolarHBondContact O-N 2.66Å; M1143-N1147 PolarHBondContact O-N 3.44Å |
| 1144 | N | 45.8 | Very low | 39.5 | Very low | 88 Ų | 88 | 101.7 Ų | 101.7 | 47% | 0.471 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -59.3 | -44.8 | 171.9 | -81.5 | 8.3 | 0 | 0 | 0 | 111.4 | H1140 K1146 N1147 F1148 | H1140-N1144 WeakPolarHBondContact O-CB 3.41Å; H1140-N1144 PolarHBondContact O-N 2.95Å; N1144-K1146 PolarHBondContact O-N 3.36Å; N1144-N1147 PolarHBondContact O-N 2.77Å; N1144-F1148 WeakPolarHBondContact O-CB 3.15Å; N1144-F1148 PolarHBondContact O-N 3.48Å |
| 1145 | M | 38.1 | Very low | 39.3 | Very low | 102 Ų | 102 | 97.5 Ų | 97.5 | 50% | 0.502 | 47% | 0.47 | S | S | . | . | H | α-helix | trans | -66.7 | -32.8 | 179.5 | -177.9 | 164.4 | 50.5 | 0 | 0 | 113.1 | N1141 F1142 M1143 K1149 | N1141-M1145 WeakPolarHBondContact O-CB 3.4Å; N1141-M1145 PolarHBondContact O-N 3.41Å; F1142-M1145 HydrophobicContact CD2-CE 4.46Å; F1142-M1145 PolarHBondContact O-N 3.48Å; M1143-M1145 VanDerWaalsContact C-N 3.35Å; M1143-M1145 PolarHBondContact O-N 2.82Å; M1145-K1149 WeakPolarHBondContact O-CB 3.46Å; M1145-K1149 PolarHBondContact O-N 3.25Å |
| 1146 | K | 46.9 | Very low | 39.1 | Very low | 99 Ų | 99 | 97.4 Ų | 97.4 | 43% | 0.43 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -68.8 | -40.5 | 171.5 | -92.3 | -177.8 | 167 | 172.5 | 0 | 112.5 | F1142 M1143 N1144 R1150 | F1142-K1146 HydrophobicContact CD1-CD 4.49Å; F1142-K1146 HydrophobicContact CE1-CD 3.81Å; F1142-K1146 HydrophobicContact CE2-CD 4.29Å; F1142-K1146 HydrophobicContact CE2-CG 4.38Å; F1142-K1146 HydrophobicContact CZ-CD 3.7Å; F1142-K1146 HydrophobicContact CZ-CG 4.28Å; F1142-K1146 VanDerWaalsContact CZ-NZ 3.29Å; F1142-K1146 PolarHBondContact O-N 2.99Å; M1143-K1146 PolarHBondContact O-N 2.66Å; N1144-K1146 PolarHBondContact O-N 3.36Å; K1146-R1150 WeakPolarHBondContact O-CB 3.19Å; K1146-R1150 WeakPolarHBondContact O-CG 3.4Å; K1146-R1150 PolarHBondContact O-N 3.03Å; K1146-R1150 VanDerWaalsContact O-N 3.12Å |
| 1147 | N | 41.8 | Very low | 38.9 | Very low | 68 Ų | 68 | 99.6 Ų | 99.6 | 36% | 0.364 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -69.9 | -41.1 | 176 | -71 | -7.4 | 0 | 0 | 0 | 111.3 | M1143 N1144 R1150 S1151 | M1143-N1147 PolarHBondContact O-N 3.44Å; N1144-N1147 PolarHBondContact O-N 2.77Å; N1147-R1150 PolarHBondContact O-N 2.82Å; N1147-S1151 PolarHBondContact O-N 3.38Å |
| 1148 | F | 35.1 | Very low | 38.9 | Very low | 139 Ų | 139 | 103 Ų | 103 | 61% | 0.61 | 50% | 0.5 | S | S | * | . | H | α-helix | trans | -62.1 | -49.5 | 175.3 | -171.8 | -110.6 | 0 | 0 | 0 | 111.8 | N1144 R1150 S1151 L1152 | N1144-F1148 WeakPolarHBondContact O-CB 3.15Å; N1144-F1148 PolarHBondContact O-N 3.48Å; F1148-R1150 PolarHBondContact O-N 2.88Å; F1148-S1151 PolarHBondContact O-N 2.98Å; F1148-S1151 VanDerWaalsContact O-N 3.17Å; F1148-L1152 HydrophobicContact CD1-CD1 3.83Å; F1148-L1152 HydrophobicContact CE1-CD1 3.65Å; F1148-L1152 HydrophobicContact CE1-CG 4.49Å; F1148-L1152 HydrophobicContact CZ-CD1 4.18Å; F1148-L1152 WeakPolarHBondContact O-CG 3.46Å; F1148-L1152 PolarHBondContact O-N 3.31Å |
| 1149 | K | 41.1 | Very low | 38.8 | Very low | 141 Ų | 141 | 100.5 Ų | 100.5 | 61% | 0.613 | 50% | 0.496 | S | S | * | . | H | α-helix | trans | -61.3 | -29 | 173.8 | -79.6 | -164.7 | 172.5 | -169.6 | 0 | 113.5 | M1145 H1153 | M1145-K1149 WeakPolarHBondContact O-CB 3.46Å; M1145-K1149 PolarHBondContact O-N 3.25Å; K1149-H1153 WeakPolarHBondContact O-CB 3.35Å; K1149-H1153 PolarHBondContact O-N 3.3Å |
| 1150 | R | 45.8 | Very low | 38.5 | Very low | 115 Ų | 115 | 105.3 Ų | 105.3 | 43% | 0.434 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -77.3 | -38.4 | 172.8 | -81.7 | -178.7 | 166.4 | 169.8 | -3.6 | 113.2 | K1146 N1147 F1148 L1152 H1153 N1154 | K1146-R1150 WeakPolarHBondContact O-CB 3.19Å; K1146-R1150 WeakPolarHBondContact O-CG 3.4Å; K1146-R1150 PolarHBondContact O-N 3.03Å; K1146-R1150 VanDerWaalsContact O-N 3.12Å; N1147-R1150 PolarHBondContact O-N 2.82Å; F1148-R1150 PolarHBondContact O-N 2.88Å; R1150-L1152 VanDerWaalsContact C-N 3.33Å; R1150-H1153 PolarHBondContact O-N 3.38Å; R1150-N1154 PolarHBondContact O-N 2.7Å; R1150-N1154 VanDerWaalsContact O-N 3.12Å |
| 1151 | S | 38.6 | Very low | 38.3 | Very low | 66 Ų | 66 | 109 Ų | 109 | 46% | 0.462 | 54% | 0.541 | S | S | . | . | H | α-helix | trans | -63 | -41.5 | 174.2 | -167.1 | 0 | 0 | 0 | 0 | 111.3 | N1147 F1148 H1153 N1154 N1155 | N1147-S1151 PolarHBondContact O-N 3.38Å; F1148-S1151 PolarHBondContact O-N 2.98Å; F1148-S1151 VanDerWaalsContact O-N 3.17Å; S1151-H1153 VanDerWaalsContact C-N 3.33Å; S1151-N1154 PolarHBondContact O-N 3.46Å; S1151-N1155 PolarHBondContact O-N 3.01Å |
| 1152 | L | 34.6 | Very low | 38 | Very low | 89 Ų | 89 | 108.3 Ų | 108.3 | 47% | 0.466 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -61.1 | -40.1 | 171.7 | -73 | 168.9 | 0 | 0 | 0 | 112 | F1148 R1150 N1154 N1155 | F1148-L1152 HydrophobicContact CD1-CD1 3.83Å; F1148-L1152 HydrophobicContact CE1-CD1 3.65Å; F1148-L1152 HydrophobicContact CE1-CG 4.49Å; F1148-L1152 HydrophobicContact CZ-CD1 4.18Å; F1148-L1152 WeakPolarHBondContact O-CG 3.46Å; F1148-L1152 PolarHBondContact O-N 3.31Å; R1150-L1152 VanDerWaalsContact C-N 3.33Å; L1152-N1154 VanDerWaalsContact C-N 3.31Å; L1152-N1154 PolarHBondContact O-N 2.98Å; L1152-N1155 PolarHBondContact O-N 3.48Å |
| 1153 | H | 39.7 | Very low | 37.7 | Very low | 153 Ų | 153 | 114.5 Ų | 114.5 | 71% | 0.708 | 56% | 0.563 | S | S | * | * | H | α-helix | trans | -72.6 | -18.1 | 179.8 | -115 | -61.4 | 0 | 0 | 0 | 115.2 | K1149 R1150 S1151 | K1149-H1153 WeakPolarHBondContact O-CB 3.35Å; K1149-H1153 PolarHBondContact O-N 3.3Å; R1150-H1153 PolarHBondContact O-N 3.38Å; S1151-H1153 VanDerWaalsContact C-N 3.33Å |
| 1154 | N | 39.5 | Very low | 37.1 | Very low | 109 Ų | 109 | 121.9 Ų | 121.9 | 58% | 0.583 | 60% | 0.597 | S | S | * | * | H | α-helix | trans | -92.1 | -17.4 | 177.4 | -71.5 | -8.6 | 0 | 0 | 0 | 112.9 | R1150 S1151 L1152 | R1150-N1154 PolarHBondContact O-N 2.7Å; R1150-N1154 VanDerWaalsContact O-N 3.12Å; S1151-N1154 PolarHBondContact O-N 3.46Å; L1152-N1154 VanDerWaalsContact C-N 3.31Å; L1152-N1154 PolarHBondContact O-N 2.98Å |
| 1155 | N | 31.3 | Very low | 36.5 | Very low | 98 Ų | 98 | 125.8 Ų | 125.8 | 52% | 0.524 | 61% | 0.613 | S | S | . | * | | | trans | -106 | 84.4 | -176.3 | -71.6 | -6.9 | 0 | 0 | 0 | 111.1 | S1151 L1152 T1157 | S1151-N1155 PolarHBondContact O-N 3.01Å; L1152-N1155 PolarHBondContact O-N 3.48Å; N1155-T1157 PolarHBondContact O-N 3.07Å |
| 1156 | N | 30.7 | Very low | 36.3 | Very low | 146 Ų | 146 | 130.5 Ų | 130.5 | 78% | 0.781 | 64% | 0.638 | S | S | * | * | | | trans | -68.9 | 46.7 | -175.7 | -81.7 | -20.6 | 0 | 0 | 0 | 116 | | |
| 1157 | T | 31.1 | Very low | 35.8 | Very low | 121 Ų | 121 | 132.1 Ų | 132.1 | 74% | 0.742 | 65% | 0.648 | S | S | * | * | | | trans | -153.7 | 71.5 | 177.1 | 55.1 | 0 | 0 | 0 | 0 | 114.2 | N1155 | N1155-T1157 PolarHBondContact O-N 3.07Š|
| 1158 | W | 36.5 | Very low | 35.4 | Very low | 187 Ų | 187 | 135.5 Ų | 135.5 | 71% | 0.708 | 66% | 0.663 | S | S | * | * | | | trans | -131.7 | 130.8 | 164.3 | -79.1 | 71.6 | 0 | 0 | 0 | 111 | I1162 | W1158-I1162 HydrophobicContact CE3-CB 4.49Å; W1158-I1162 HydrophobicContact CE3-CD1 4.22Å; W1158-I1162 HydrophobicContact CZ3-CB 4.43Å; W1158-I1162 HydrophobicContact CZ3-CD1 3.6Å; W1158-I1162 HydrophobicContact CZ3-CG2 4.29Å |
| 1159 | T | 32.3 | Very low | 35.5 | Very low | 100 Ų | 100 | 135.3 Ų | 135.3 | 61% | 0.613 | 67% | 0.666 | S | S | * | * | | | trans | -81.3 | 166.7 | 177.8 | 45 | 0 | 0 | 0 | 0 | 111.5 | E1161 | T1159-E1161 PolarHBondContact O-N 3.19Š|
| 1160 | N | 32.6 | Very low | 35.1 | Very low | 131 Ų | 131 | 134.9 Ų | 134.9 | 70% | 0.701 | 67% | 0.669 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -73.3 | 9.7 | -169.8 | -58 | -67.4 | 0 | 0 | 0 | 115.4 | | |
| 1161 | E | 32.8 | Very low | 34.5 | Very low | 154 Ų | 154 | 136.2 Ų | 136.2 | 72% | 0.72 | 68% | 0.684 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -89.8 | -16.7 | -168 | -69.6 | 167.4 | 132 | 0 | 0 | 114 | T1159 | T1159-E1161 PolarHBondContact O-N 3.19Š|
| 1162 | I | 35.5 | Very low | 34.2 | Very low | 87 Ų | 87 | 140.9 Ų | 140.9 | 45% | 0.446 | 70% | 0.699 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -108.4 | 37.7 | -175.2 | -67.5 | 167.3 | 0 | 0 | 0 | 110.9 | W1158 | W1158-I1162 HydrophobicContact CE3-CB 4.49Å; W1158-I1162 HydrophobicContact CE3-CD1 4.22Å; W1158-I1162 HydrophobicContact CZ3-CB 4.43Å; W1158-I1162 HydrophobicContact CZ3-CD1 3.6Å; W1158-I1162 HydrophobicContact CZ3-CG2 4.29Å |
| 1163 | F | 35 | Very low | 34.2 | Very low | 180 Ų | 180 | 144.6 Ų | 144.6 | 79% | 0.789 | 72% | 0.715 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -119.7 | 0.9 | 169.7 | -138.7 | -86.1 | 0 | 0 | 0 | 113 | | |
| 1164 | E | 33.9 | Very low | 33.7 | Very low | 186 Ų | 186 | 143.9 Ų | 143.9 | 87% | 0.869 | 72% | 0.716 | S | S | * | * | S | Bend | trans | -104.3 | -5.8 | 174.6 | -73.3 | -84.8 | 134.3 | 0 | 0 | 112.6 | | |
| 1165 | E | 33.3 | Very low | 33.3 | Very low | 171 Ų | 171 | 146.8 Ų | 146.8 | 80% | 0.799 | 73% | 0.727 | S | S | * | * | | | trans | -109.2 | 17.6 | -177.4 | -150.4 | 174.8 | -151.8 | 0 | 0 | 112.9 | | |
| 1166 | I | 34 | Very low | 33.4 | Very low | 201 Ų | 201 | 151.3 Ų | 151.3 | 100% | 1.031 | 75% | 0.745 | S | S | * | * | | | trans | -136 | 0 | 177.7 | -57.4 | -179.4 | 0 | 0 | 0 | 110.4 | | |