| 1 | M | 30.7 | Very low | 30.4 | Very low | 242 Ų | 242 | 159.2 Ų | 159.2 | 100% | 1.192 | 83% | 0.828 | S | S | * | * | | | | 0 | 159 | 0 | -90.6 | -169.9 | 167.6 | 0 | 0 | 110.6 | | |
| 2 | P | 28.3 | Very low | 30.3 | Very low | 97 Ų | 97 | 163 Ų | 163 | 63% | 0.63 | 83% | 0.834 | S | S | * | * | | | trans | -87.6 | 168.1 | 175.5 | 35 | -34.2 | 0 | 0 | 0 | 114.1 | | |
| 3 | S | 33.4 | Very low | 30.2 | Very low | 105 Ų | 105 | 159.5 Ų | 159.5 | 73% | 0.734 | 83% | 0.833 | S | S | * | * | | | trans | -56.9 | 150.8 | -164.3 | -35.4 | 0 | 0 | 0 | 0 | 118.4 | R1236 | S3-R1236 PolarHBondContact O-NH2 2.85Š|
| 4 | S | 28 | Very low | 30.3 | Very low | 104 Ų | 104 | 155.4 Ų | 155.4 | 73% | 0.727 | 82% | 0.824 | S | S | * | * | | | | -176 | 169.4 | 126.8 | 56.9 | 0 | 0 | 0 | 0 | 113 | | |
| 5 | K | 33.8 | Very low | 30.2 | Very low | 183 Ų | 183 | 155.3 Ų | 155.3 | 80% | 0.796 | 82% | 0.824 | S | S | * | * | | | trans | 80.3 | 88 | 167.1 | -59.8 | -175.7 | -178.8 | 179.7 | 0 | 119.5 | | |
| 6 | L | 26.1 | Very low | 30.4 | Very low | 167 Ų | 167 | 157.9 Ų | 157.9 | 87% | 0.874 | 83% | 0.83 | S | S | * | * | | | trans | -68.8 | 144.4 | 141.3 | -157.6 | 86.8 | 0 | 0 | 0 | 109.5 | | |
| 7 | H | 32.9 | Very low | 30.3 | Very low | 181 Ų | 181 | 157.6 Ų | 157.6 | 84% | 0.838 | 83% | 0.83 | S | S | * | * | | | trans | -158.5 | 152.5 | 155.3 | -107.8 | 65.8 | 0 | 0 | 0 | 109.3 | | |
| 8 | S | 28.7 | Very low | 30.3 | Very low | 101 Ų | 101 | 158.6 Ų | 158.6 | 71% | 0.706 | 83% | 0.833 | S | S | * | * | | | trans | -125.9 | 138.7 | -169.2 | 56.7 | 0 | 0 | 0 | 0 | 113 | | |
| 9 | Y | 32 | Very low | 30.2 | Very low | 239 Ų | 239 | 154.4 Ų | 154.4 | 94% | 0.937 | 82% | 0.818 | S | S | * | * | | | trans | -137.1 | 155.1 | 162.5 | -91.3 | -80.5 | 0 | 0 | 0 | 111.8 | | |
| 10 | K | 29.2 | Very low | 30.1 | Very low | 201 Ų | 201 | 154.4 Ų | 154.4 | 87% | 0.874 | 81% | 0.813 | S | S | * | * | | | trans | -156.7 | 119.5 | -161.6 | -178.3 | -175.2 | -177.8 | -178.1 | 0 | 112.2 | | |
| 11 | T | 31.7 | Very low | 30 | Very low | 131 Ų | 131 | 154.3 Ų | 154.3 | 80% | 0.804 | 81% | 0.807 | S | S | * | * | | | trans | -150.9 | 135.4 | 177.6 | 22.3 | 0 | 0 | 0 | 0 | 106.7 | | |
| 12 | K | 29.2 | Very low | 29.9 | Very low | 205 Ų | 205 | 151 Ų | 151 | 89% | 0.891 | 79% | 0.785 | S | S | * | * | | | cis | 61.5 | 136.9 | 43.1 | -69.4 | -168.8 | 172.7 | -173 | 0 | 112.8 | | |
| 13 | S | 28.6 | Very low | 30 | Very low | 118 Ų | 118 | 150.9 Ų | 150.9 | 83% | 0.825 | 79% | 0.787 | S | S | * | * | | | cis | -99.7 | -148.5 | -4.1 | 49.2 | 0 | 0 | 0 | 0 | 110.2 | | |
| 14 | S | 32.3 | Very low | 29.9 | Very low | 101 Ų | 101 | 153.8 Ų | 153.8 | 71% | 0.706 | 79% | 0.793 | S | S | * | * | | | cis | -152.1 | -174.4 | -0.6 | 65.3 | 0 | 0 | 0 | 0 | 111.1 | | |
| 15 | N | 27.7 | Very low | 29.9 | Very low | 154 Ų | 154 | 155.4 Ų | 155.4 | 82% | 0.824 | 79% | 0.793 | S | S | * | * | | | trans | -133.1 | 157.2 | 166.2 | -72.4 | -27.1 | 0 | 0 | 0 | 109.1 | | |
| 16 | Q | 33.6 | Very low | 29.7 | Very low | 198 Ų | 198 | 153.6 Ų | 153.6 | 93% | 0.925 | 79% | 0.792 | S | S | * | * | | | trans | -155.3 | 151.6 | 141.1 | -115 | 164.6 | -0.1 | 0 | 0 | 111.2 | | |
| 17 | N | 28.8 | Very low | 29.8 | Very low | 153 Ų | 153 | 150.8 Ų | 150.8 | 82% | 0.818 | 78% | 0.782 | S | S | * | * | | | trans | -107.7 | -171.5 | -174.9 | -79.8 | -31.4 | 0 | 0 | 0 | 111 | | |
| 18 | I | 29.9 | Very low | 29.6 | Very low | 174 Ų | 174 | 148.7 Ų | 148.7 | 89% | 0.892 | 78% | 0.777 | S | S | * | * | | | trans | 108.6 | 137.8 | 165.3 | -60.9 | 158.7 | 0 | 0 | 0 | 112.5 | | |
| 19 | S | 28.5 | Very low | 29.5 | Very low | 79 Ų | 79 | 148.8 Ų | 148.8 | 55% | 0.552 | 77% | 0.773 | S | S | * | * | | | cis | -174.9 | 150.2 | -25.9 | -171.1 | 0 | 0 | 0 | 0 | 109.6 | | |
| 20 | Q | 29.4 | Very low | 29.3 | Very low | 154 Ų | 154 | 147.4 Ų | 147.4 | 72% | 0.72 | 77% | 0.768 | S | S | * | * | | | trans | 64.1 | 164.4 | 156.2 | -75.8 | 157.7 | 14.8 | 0 | 0 | 118 | | |
| 21 | F | 27.8 | Very low | 29.1 | Very low | 154 Ų | 154 | 142.7 Ų | 142.7 | 68% | 0.675 | 76% | 0.76 | S | S | * | * | | | cis | -151.7 | 146.8 | -6 | -119.4 | -41 | 0 | 0 | 0 | 112.7 | | |
| 22 | K | 28.8 | Very low | 28.9 | Very low | 171 Ų | 171 | 141.1 Ų | 141.1 | 74% | 0.743 | 75% | 0.754 | S | S | * | * | | | trans | 42.2 | 115.1 | 147 | -81.2 | 170.9 | 176.9 | -178.6 | 0 | 124.4 | | |
| 23 | S | 30.3 | Very low | 28.9 | Very low | 95 Ų | 95 | 139.9 Ų | 139.9 | 66% | 0.664 | 75% | 0.751 | S | S | * | * | | | | 20.3 | 144.5 | 119.9 | 62.2 | 0 | 0 | 0 | 0 | 123.9 | | |
| 24 | I | 30.1 | Very low | 28.9 | Very low | 166 Ų | 166 | 138.5 Ų | 138.5 | 85% | 0.851 | 74% | 0.741 | S | S | * | * | | | | -162.9 | 157.8 | 126.3 | -101.5 | 155 | 0 | 0 | 0 | 110.6 | | |
| 25 | D | 28.4 | Very low | 28.9 | Very low | 138 Ų | 138 | 140.6 Ų | 140.6 | 74% | 0.738 | 74% | 0.744 | S | S | * | * | | | trans | -101.6 | 165.5 | -168.4 | -52.2 | -91.4 | 0 | 0 | 0 | 115.7 | | |
| 26 | N | 30.1 | Very low | 28.9 | Very low | 146 Ų | 146 | 139.8 Ų | 139.8 | 78% | 0.781 | 75% | 0.745 | S | S | * | * | | | trans | 162 | 133.2 | 137.9 | -78.8 | -19.6 | 0 | 0 | 0 | 110.8 | | |
| 27 | T | 27.4 | Very low | 28.9 | Very low | 108 Ų | 108 | 136.2 Ų | 136.2 | 66% | 0.663 | 74% | 0.736 | S | S | * | * | | | | 55 | 135.4 | 80.6 | 18.8 | 0 | 0 | 0 | 0 | 114.8 | | |
| 28 | D | 29.9 | Very low | 28.9 | Very low | 136 Ų | 136 | 135.5 Ų | 135.5 | 73% | 0.727 | 73% | 0.733 | S | S | * | * | | | cis | -134.3 | 157.6 | 23.1 | -74.5 | -59.7 | 0 | 0 | 0 | 114.3 | | |
| 29 | V | 26 | Very low | 28.8 | Very low | 104 Ų | 104 | 131.1 Ų | 131.1 | 63% | 0.63 | 72% | 0.717 | S | S | * | * | | | | 48.9 | 127.7 | 83.8 | -148.9 | 0 | 0 | 0 | 0 | 113.4 | | |
| 30 | Y | 27 | Very low | 28.8 | Very low | 209 Ų | 209 | 135.9 Ų | 135.9 | 82% | 0.82 | 73% | 0.728 | S | S | * | * | | | cis | -142.7 | 165.2 | 40.7 | -78.3 | -105.3 | 0 | 0 | 0 | 111.3 | | |
| 31 | S | 26.4 | Very low | 28.6 | Very low | 102 Ų | 102 | 133.3 Ų | 133.3 | 71% | 0.713 | 73% | 0.727 | S | S | * | * | | | cis | 75.4 | 138.9 | 35.9 | -137.5 | 0 | 0 | 0 | 0 | 114.5 | | |
| 32 | C | 25.7 | Very low | 28.7 | Very low | 99 Ų | 99 | 134.3 Ų | 134.3 | 67% | 0.669 | 73% | 0.732 | S | S | * | * | | | cis | -144.6 | 160.2 | 7 | -25.4 | 0 | 0 | 0 | 0 | 110.2 | | |
| 33 | H | 30.5 | Very low | 28.7 | Very low | 178 Ų | 178 | 134 Ų | 134 | 82% | 0.824 | 73% | 0.733 | S | S | * | * | | | | 51.8 | 147.1 | 95 | -72.4 | 57 | 0 | 0 | 0 | 117.8 | | |
| 34 | S | 28.4 | Very low | 28.4 | Very low | 89 Ų | 89 | 133.9 Ų | 133.9 | 62% | 0.622 | 73% | 0.732 | S | S | * | * | | | cis | -173.8 | 155.9 | -6.5 | 47.5 | 0 | 0 | 0 | 0 | 114.9 | | |
| 35 | N | 32.4 | Very low | 28.2 | Very low | 145 Ų | 145 | 132.7 Ų | 132.7 | 78% | 0.775 | 73% | 0.726 | S | S | * | * | | | trans | 25.2 | 136.5 | 141.4 | -48.4 | -14.1 | 0 | 0 | 0 | 123.8 | | |
| 36 | T | 28.5 | Very low | 28.1 | Very low | 137 Ų | 137 | 133.1 Ų | 133.1 | 84% | 0.84 | 73% | 0.728 | S | S | * | * | | | | -158.8 | 125.5 | 118.1 | 25.4 | 0 | 0 | 0 | 0 | 108.2 | | |
| 37 | V | 31.9 | Very low | 27.9 | Very low | 123 Ų | 123 | 136.8 Ų | 136.8 | 75% | 0.745 | 73% | 0.733 | S | S | * | * | | | | 82.6 | 113.8 | 64.2 | 169.7 | 0 | 0 | 0 | 0 | 112.9 | | |
| 38 | D | 29.9 | Very low | 27.8 | Very low | 138 Ų | 138 | 139.8 Ų | 139.8 | 74% | 0.738 | 75% | 0.745 | S | S | * | * | | | | -163.8 | 146.3 | 107.2 | -138.9 | -23 | 0 | 0 | 0 | 115.2 | | |
| 39 | S | 27.2 | Very low | 27.7 | Very low | 82 Ų | 82 | 138.6 Ų | 138.6 | 57% | 0.573 | 74% | 0.742 | S | S | * | * | | | trans | 54.2 | 138.9 | 141.5 | 129.4 | 0 | 0 | 0 | 0 | 122.1 | | |
| 40 | K | 28.5 | Very low | 27.7 | Very low | 180 Ų | 180 | 142 Ų | 142 | 78% | 0.783 | 75% | 0.752 | S | S | * | * | | | cis | -166.4 | 162.1 | 2.7 | -114.4 | 155.7 | -162.9 | 154 | 0 | 111.9 | | |
| 41 | S | 26.5 | Very low | 27.7 | Very low | 100 Ų | 100 | 141.3 Ų | 141.3 | 70% | 0.699 | 75% | 0.753 | S | S | * | * | | | trans | 82.3 | 143.2 | 154.7 | 83.9 | 0 | 0 | 0 | 0 | 121 | | |
| 42 | F | 28.2 | Very low | 27.6 | Very low | 175 Ų | 175 | 142.6 Ų | 142.6 | 77% | 0.768 | 75% | 0.75 | S | S | * | * | | | trans | 47 | 139.5 | 164.7 | -59.9 | -75.4 | 0 | 0 | 0 | 121.2 | | |
| 43 | E | 29.5 | Very low | 27.6 | Very low | 163 Ų | 163 | 144.1 Ų | 144.1 | 76% | 0.762 | 76% | 0.757 | S | S | * | * | | | cis | -160.8 | 170.3 | -27.9 | -136.8 | 179.3 | -171.1 | 0 | 0 | 110.8 | | |
| 44 | S | 25 | Very low | 27.4 | Very low | 93 Ų | 93 | 143.2 Ų | 143.2 | 65% | 0.65 | 75% | 0.753 | S | S | * | * | | | trans | -61.5 | 130.2 | 177.4 | 45.4 | 0 | 0 | 0 | 0 | 113.5 | | |
| 45 | I | 24.6 | Very low | 27.2 | Very low | 142 Ų | 142 | 145 Ų | 145 | 73% | 0.728 | 76% | 0.755 | S | S | * | * | | | | 65.6 | 119.3 | 86.3 | -62.3 | 163.7 | 0 | 0 | 0 | 114.9 | | |
| 46 | N | 25.8 | Very low | 26.9 | Very low | 146 Ų | 146 | 147.6 Ų | 147.6 | 78% | 0.781 | 76% | 0.755 | S | S | * | * | | | trans | 49.7 | 97.8 | 161.3 | -70.1 | -30.5 | 0 | 0 | 0 | 118.8 | | |
| 47 | Y | 26.6 | Very low | 26.7 | Very low | 224 Ų | 224 | 152.4 Ų | 152.4 | 88% | 0.878 | 76% | 0.76 | S | S | * | * | | | trans | -130.9 | 129.2 | 142.2 | -95.8 | -78.2 | 0 | 0 | 0 | 112.6 | | |
| 48 | N | 26.4 | Very low | 26.6 | Very low | 170 Ų | 170 | 151.2 Ų | 151.2 | 91% | 0.909 | 75% | 0.754 | S | S | * | * | | | trans | -99.3 | 92.7 | -178.9 | -173.4 | 22.5 | 0 | 0 | 0 | 108.2 | | |
| 49 | T | 26.6 | Very low | 26.5 | Very low | 111 Ų | 111 | 151.6 Ų | 151.6 | 68% | 0.681 | 76% | 0.756 | S | S | * | * | | | trans | -137.9 | 134.9 | -169.9 | -31.6 | 0 | 0 | 0 | 0 | 112.8 | | |
| 50 | Q | 25.2 | Very low | 26.5 | Very low | 176 Ų | 176 | 157.6 Ų | 157.6 | 82% | 0.822 | 77% | 0.771 | S | S | * | * | | | trans | -84.5 | 138.9 | 176 | -59.3 | 154 | -49.1 | 0 | 0 | 111.2 | | |
| 51 | K | 27.2 | Very low | 26.5 | Very low | 194 Ų | 194 | 157.1 Ų | 157.1 | 84% | 0.843 | 77% | 0.771 | S | S | * | * | | | trans | -167.3 | 107.7 | 147.9 | -101.1 | 149.7 | -175.9 | -176.9 | 0 | 106.8 | | |
| 52 | I | 25.2 | Very low | 26.5 | Very low | 129 Ų | 129 | 158.3 Ų | 158.3 | 66% | 0.662 | 78% | 0.779 | S | S | * | * | | | | 73 | 90.2 | 74.1 | -63.4 | 164.4 | 0 | 0 | 0 | 111.4 | Q54 | I52-Q54 HydrophobicContact CG2-CG 4.17Š|
| 53 | T | 26.5 | Very low | 26.4 | Very low | 131 Ų | 131 | 158.8 Ų | 158.8 | 80% | 0.804 | 78% | 0.78 | S | S | * | * | | | trans | -113.6 | 117.8 | 133 | 19.1 | 0 | 0 | 0 | 0 | 106.3 | | |
| 54 | Q | 24.8 | Very low | 26.3 | Very low | 159 Ų | 159 | 158.4 Ų | 158.4 | 74% | 0.743 | 78% | 0.782 | S | S | * | * | | | trans | -90.4 | 150.6 | 174.5 | -77.9 | 168.6 | -4.2 | 0 | 0 | 109.7 | I52 | I52-Q54 HydrophobicContact CG2-CG 4.17Š|
| 55 | L | 24.5 | Very low | 26.4 | Very low | 127 Ų | 127 | 158.1 Ų | 158.1 | 67% | 0.665 | 78% | 0.776 | S | S | * | * | | | trans | 140.1 | 129.4 | 158.6 | -78.8 | 157.9 | 0 | 0 | 0 | 109.1 | | |
| 56 | Y | 26 | Very low | 26.5 | Very low | 199 Ų | 199 | 157.7 Ų | 157.7 | 78% | 0.78 | 78% | 0.776 | S | S | * | * | | | cis | -155.8 | 127.9 | -28 | -154.6 | -100.3 | 0 | 0 | 0 | 107.7 | | |
| 57 | Y | 24.3 | Very low | 26.8 | Very low | 239 Ų | 239 | 157.8 Ų | 157.8 | 94% | 0.937 | 78% | 0.776 | S | S | * | * | | | trans | -115.9 | 114.1 | -175.7 | -101 | -76.9 | 0 | 0 | 0 | 112.6 | | |
| 58 | P | 29.1 | Very low | 26.8 | Very low | 97 Ų | 97 | 153.8 Ų | 153.8 | 63% | 0.63 | 77% | 0.77 | S | S | * | * | | | trans | -118.7 | 133.7 | 158.2 | 34.6 | -23 | 0 | 0 | 0 | 111.6 | | |
| 59 | L | 29.2 | Very low | 27.1 | Very low | 147 Ų | 147 | 152.7 Ų | 152.7 | 77% | 0.77 | 76% | 0.764 | S | S | * | * | | | cis | -138 | 151.6 | -8.7 | -68.1 | 108.6 | 0 | 0 | 0 | 110 | | |
| 60 | K | 27 | Very low | 27.2 | Very low | 207 Ų | 207 | 154.4 Ų | 154.4 | 90% | 0.9 | 77% | 0.768 | S | S | * | * | | | trans | -118.8 | 88.3 | 159.1 | -89.5 | -170.2 | 174.6 | -179.7 | 0 | 110 | | |
| 61 | H | 28.4 | Very low | 27.4 | Very low | 170 Ų | 170 | 154.2 Ų | 154.2 | 79% | 0.787 | 77% | 0.772 | S | S | * | * | | | trans | -130.4 | 89.1 | 170.6 | -84.1 | -72.1 | 0 | 0 | 0 | 111.6 | | |
| 62 | C | 26.1 | Very low | 27.3 | Very low | 126 Ų | 126 | 155.2 Ų | 155.2 | 85% | 0.851 | 77% | 0.772 | S | S | * | * | | | trans | -160.5 | 90.3 | 146.8 | -108.8 | 0 | 0 | 0 | 0 | 107.5 | | |
| 63 | K | 25.4 | Very low | 27.5 | Very low | 184 Ų | 184 | 159.8 Ų | 159.8 | 80% | 0.8 | 78% | 0.781 | S | S | * | * | | | trans | -102.6 | 88.6 | 178.3 | -175.8 | -164.5 | 177.5 | -161.5 | 0 | 108.1 | T65 | K63-T65 HydrophobicContact CG-CG2 4.42Å; K63-T65 PolarHBondContact O-N 2.97Å |
| 64 | I | 27.5 | Very low | 27.6 | Very low | 155 Ų | 155 | 158.8 Ų | 158.8 | 80% | 0.795 | 78% | 0.775 | S | S | * | * | | | trans | -82.8 | 105.1 | 170.3 | -58.2 | 177 | 0 | 0 | 0 | 107.3 | | |
| 65 | T | 28.8 | Very low | 27.6 | Very low | 87 Ų | 87 | 158.2 Ų | 158.2 | 53% | 0.534 | 78% | 0.777 | S | S | . | * | | | trans | -92.7 | 124.7 | 165.6 | 33.7 | 0 | 0 | 0 | 0 | 108.9 | K63 D67 | K63-T65 HydrophobicContact CG-CG2 4.42Å; K63-T65 PolarHBondContact O-N 2.97Å; T65-D67 PolarHBondContact O-N 3.49Å |
| 66 | N | 26 | Very low | 27.8 | Very low | 134 Ų | 134 | 159 Ų | 159 | 72% | 0.717 | 78% | 0.78 | S | S | * | * | | | trans | -68.6 | 125.3 | 162.5 | -75.6 | 1.9 | 0 | 0 | 0 | 108.4 | | |
| 67 | D | 31.5 | Very low | 27.9 | Very low | 148 Ų | 148 | 156.8 Ų | 156.8 | 79% | 0.791 | 78% | 0.777 | S | S | * | * | | | trans | -142.4 | 88.9 | 158.6 | -78 | -58.8 | 0 | 0 | 0 | 107.4 | T65 | T65-D67 PolarHBondContact O-N 3.49Š|
| 68 | N | 26.5 | Very low | 28.2 | Very low | 140 Ų | 140 | 152.3 Ų | 152.3 | 75% | 0.749 | 76% | 0.764 | S | S | * | * | | | trans | -91.8 | 114.2 | 163.8 | -84.1 | -8.6 | 0 | 0 | 0 | 107 | | |
| 69 | D | 33.1 | Very low | 28.2 | Very low | 147 Ų | 147 | 151.6 Ų | 151.6 | 79% | 0.786 | 76% | 0.755 | S | S | * | * | | | trans | -161.9 | 123.2 | 145.3 | -107.8 | -26.3 | 0 | 0 | 0 | 113.5 | | |
| 70 | L | 28.5 | Very low | 28.2 | Very low | 146 Ų | 146 | 151.4 Ų | 151.4 | 76% | 0.764 | 75% | 0.748 | S | S | * | * | | | trans | 30.2 | 114.7 | 139 | -60.9 | 166.9 | 0 | 0 | 0 | 119.7 | | |
| 71 | L | 30.1 | Very low | 28.4 | Very low | 172 Ų | 172 | 147.4 Ų | 147.4 | 90% | 0.901 | 74% | 0.741 | S | S | * | * | | | | -170.7 | 144.3 | 98 | -101.2 | 163.9 | 0 | 0 | 0 | 114.4 | | |
| 72 | Y | 25.2 | Very low | 28.3 | Very low | 215 Ų | 215 | 147.3 Ų | 147.3 | 84% | 0.843 | 75% | 0.746 | S | S | * | * | | | trans | -73.9 | 150.8 | 171.4 | -91.2 | -116.5 | 0 | 0 | 0 | 112.2 | | |
| 73 | R | 28.2 | Very low | 28.5 | Very low | 225 Ų | 225 | 145 Ų | 145 | 85% | 0.849 | 75% | 0.745 | S | S | * | * | | | | -176.5 | 139.2 | 107.2 | -102.7 | -175 | 175.7 | -163.7 | -2.1 | 117 | | |
| 74 | T | 29.7 | Very low | 28.6 | Very low | 110 Ų | 110 | 145.1 Ų | 145.1 | 68% | 0.675 | 75% | 0.748 | S | S | * | * | | | trans | 56 | 100.2 | 146.6 | 54.7 | 0 | 0 | 0 | 0 | 121.7 | | |
| 75 | N | 24.8 | Very low | 28.7 | Very low | 147 Ų | 147 | 144.7 Ų | 144.7 | 79% | 0.786 | 75% | 0.746 | S | S | * | * | | | | 16.3 | 139.2 | 114.8 | -43.2 | -1.7 | 0 | 0 | 0 | 119.1 | | |
| 76 | I | 28.7 | Very low | 28.8 | Very low | 145 Ų | 145 | 149.8 Ų | 149.8 | 74% | 0.744 | 76% | 0.761 | S | S | * | * | | | | 176 | 120.4 | 107.6 | -92.5 | 170 | 0 | 0 | 0 | 113.8 | | |
| 77 | Q | 28.3 | Very low | 28.8 | Very low | 152 Ų | 152 | 148.2 Ų | 148.2 | 71% | 0.71 | 76% | 0.76 | S | S | * | * | | | trans | 57.5 | 120.5 | 141.1 | -64.2 | -176 | -67.9 | 0 | 0 | 126.1 | | |
| 78 | H | 29.2 | Very low | 28.7 | Very low | 144 Ų | 144 | 150.4 Ų | 150.4 | 67% | 0.667 | 77% | 0.766 | S | S | * | * | | | | 87.9 | 126.6 | 121.4 | -78.2 | -58.6 | 0 | 0 | 0 | 125.6 | | |
| 79 | D | 29.3 | Very low | 28.7 | Very low | 83 Ų | 83 | 150.7 Ų | 150.7 | 44% | 0.444 | 77% | 0.766 | S | S | . | * | | | | 85.4 | 98.9 | 125.2 | -74.8 | 11 | 0 | 0 | 0 | 124.4 | Y1073 | D79-Y1073 WeakPolarHBondContact CA-OH 3.34Å; D79-Y1073 PolarHBondContact N-OH 2.89Å |
| 80 | K | 30.3 | Very low | 28.5 | Very low | 142 Ų | 142 | 152 Ų | 152 | 62% | 0.617 | 77% | 0.768 | S | S | * | * | | | | 103.9 | 152.7 | 104.5 | -83.3 | 172.8 | -171.4 | 149.7 | 0 | 122.5 | Y1073 | K80-Y1073 PolarHBondContact N-OH 3.07Š|
| 81 | T | 30.5 | Very low | 28.5 | Very low | 124 Ų | 124 | 149.5 Ų | 149.5 | 76% | 0.761 | 76% | 0.759 | S | S | * | * | | | trans | 76.1 | 95.6 | 151.9 | 36.1 | 0 | 0 | 0 | 0 | 120.8 | | |
| 82 | N | 26.8 | Very low | 28.4 | Very low | 167 Ų | 167 | 149 Ų | 149 | 89% | 0.893 | 76% | 0.756 | S | S | * | * | | | | 24.8 | 119.7 | 121.7 | -64.7 | -2.1 | 0 | 0 | 0 | 118.9 | | |
| 83 | G | 30.7 | Very low | 28.4 | Very low | 79 Ų | 79 | 145.3 Ų | 145.3 | 81% | 0.814 | 75% | 0.749 | S | S | * | * | | | trans | -150.1 | 104.6 | 160.9 | 0 | 0 | 0 | 0 | 0 | 111.6 | | |
| 84 | Q | 27.1 | Very low | 28.6 | Very low | 185 Ų | 185 | 141 Ų | 141 | 86% | 0.864 | 75% | 0.748 | S | S | * | * | | | trans | -68.2 | 153.4 | 162.4 | -61 | 171.1 | -12.5 | 0 | 0 | 109.1 | | |
| 85 | I | 29 | Very low | 28.6 | Very low | 146 Ų | 146 | 145.2 Ų | 145.2 | 75% | 0.749 | 76% | 0.757 | S | S | * | * | | | | 173.2 | 119.9 | 127 | -91.1 | 157.4 | 0 | 0 | 0 | 112.8 | | |
| 86 | K | 30.6 | Very low | 28.8 | Very low | 195 Ų | 195 | 143.3 Ų | 143.3 | 85% | 0.848 | 75% | 0.75 | S | S | * | * | | | trans | 41.8 | 144.7 | 138.4 | -52.1 | 173 | -178.5 | 171.3 | 0 | 121.9 | | |
| 87 | S | 26.1 | Very low | 28.8 | Very low | 101 Ų | 101 | 142.8 Ų | 142.8 | 71% | 0.706 | 76% | 0.756 | S | S | * | * | | | trans | -89.6 | 151 | 174.5 | 48.1 | 0 | 0 | 0 | 0 | 114.6 | | |
| 88 | Q | 30.2 | Very low | 28.8 | Very low | 194 Ų | 194 | 144.6 Ų | 144.6 | 91% | 0.907 | 76% | 0.762 | S | S | * | * | | | trans | -141.2 | 115.4 | 148.5 | -63.9 | -172.7 | -2.9 | 0 | 0 | 104.8 | | |
| 89 | L | 25.2 | Very low | 28.8 | Very low | 146 Ų | 146 | 143 Ų | 143 | 76% | 0.764 | 77% | 0.767 | S | S | * | * | | | cis | 79.3 | 136 | 33 | -141.4 | -176.3 | 0 | 0 | 0 | 112.3 | | |
| 90 | Q | 30 | Very low | 28.8 | Very low | 175 Ų | 175 | 147.5 Ų | 147.5 | 82% | 0.818 | 79% | 0.788 | S | S | * | * | | | trans | 102 | 142.8 | 171.3 | -59 | -168.9 | -13.2 | 0 | 0 | 116.9 | | |
| 91 | T | 28.1 | Very low | 28.8 | Very low | 93 Ų | 93 | 149.1 Ų | 149.1 | 57% | 0.571 | 80% | 0.799 | S | S | * | * | | | cis | -164.7 | 170.4 | -17.2 | -86 | 0 | 0 | 0 | 0 | 109.3 | I93 | T91-I93 HydrophobicContact CG2-CD1 4.33Š|
| 92 | L | 28.5 | Very low | 28.6 | Very low | 160 Ų | 160 | 150.5 Ų | 150.5 | 84% | 0.838 | 80% | 0.797 | S | S | * | * | | | trans | 98.9 | 98.1 | 174.1 | -58 | 164.1 | 0 | 0 | 0 | 113.5 | | |
| 93 | I | 25.9 | Very low | 28.9 | Very low | 138 Ų | 138 | 152.8 Ų | 152.8 | 71% | 0.708 | 80% | 0.799 | S | S | * | * | | | cis | 75.8 | 84.1 | 17.4 | -45.1 | 179.7 | 0 | 0 | 0 | 116.3 | T91 | T91-I93 HydrophobicContact CG2-CD1 4.33Š|
| 94 | T | 30.7 | Very low | 28.7 | Very low | 135 Ų | 135 | 155.9 Ų | 155.9 | 83% | 0.828 | 79% | 0.792 | S | S | * | * | | | trans | -173.4 | 135.3 | 142.4 | 26.2 | 0 | 0 | 0 | 0 | 108.1 | | |
| 95 | K | 30.2 | Very low | 28.8 | Very low | 198 Ų | 198 | 155 Ų | 155 | 86% | 0.861 | 79% | 0.792 | S | S | * | * | | | cis | -129.6 | 164.5 | -4.8 | -65 | 179.1 | 179.9 | 174.8 | 0 | 109.2 | | |
| 96 | V | 29.8 | Very low | 28.8 | Very low | 107 Ų | 107 | 156 Ų | 156 | 65% | 0.648 | 79% | 0.791 | S | S | * | * | | | trans | -135.1 | 138.4 | -179.1 | -171.8 | 0 | 0 | 0 | 0 | 110 | K98 | V96-K98 HydrophobicContact CB-CG 4.25Å; V96-K98 HydrophobicContact CG1-CG 4.14Å; V96-K98 PolarHBondContact O-N 3.47Å |
| 97 | P | 27.9 | Very low | 28.5 | Very low | 134 Ų | 134 | 154.5 Ų | 154.5 | 87% | 0.87 | 78% | 0.784 | S | S | * | * | | | trans | -72.7 | 95.6 | 158.5 | -10.3 | 27.6 | 0 | 0 | 0 | 109.2 | | |
| 98 | K | 28 | Very low | 28.7 | Very low | 191 Ų | 191 | 158 Ų | 158 | 83% | 0.83 | 79% | 0.792 | S | S | * | * | | | trans | -90.6 | 121.3 | 176.7 | -77.6 | -175.3 | 176.7 | -179.2 | 0 | 111.2 | V96 | V96-K98 HydrophobicContact CB-CG 4.25Å; V96-K98 HydrophobicContact CG1-CG 4.14Å; V96-K98 PolarHBondContact O-N 3.47Å |
| 99 | S | 29.1 | Very low | 28.6 | Very low | 111 Ų | 111 | 156 Ų | 156 | 78% | 0.776 | 78% | 0.782 | S | S | * | * | | | trans | -165.8 | 130.6 | 154.5 | -162.6 | 0 | 0 | 0 | 0 | 107.7 | | |
| 100 | M | 30.4 | Very low | 28.9 | Very low | 176 Ų | 176 | 159.6 Ų | 159.6 | 87% | 0.867 | 79% | 0.788 | S | S | * | * | S | Bend | cis | -118.2 | 169.9 | 6.3 | -73 | 175.3 | 57.3 | 0 | 0 | 113.5 | | |
| 101 | M | 30.4 | Very low | 29 | Very low | 176 Ų | 176 | 156.6 Ų | 156.6 | 87% | 0.867 | 78% | 0.781 | S | S | * | * | | | trans | -73.4 | 146.5 | 178.5 | -65.7 | 174.2 | -89.9 | 0 | 0 | 111.7 | | |
| 102 | H | 26.4 | Very low | 29.2 | Very low | 154 Ų | 154 | 157.5 Ų | 157.5 | 71% | 0.713 | 79% | 0.791 | S | S | * | * | | | | 66.4 | 110.5 | 59.3 | -115.9 | 77.1 | 0 | 0 | 0 | 114.8 | Q104 | H102-Q104 PolarHBondContact NE2-NE2 2.86Å; H102-Q104 VanDerWaalsContact NE2-NE2 3.16Å |
| 103 | K | 31.9 | Very low | 29.3 | Very low | 214 Ų | 214 | 158.8 Ų | 158.8 | 93% | 0.93 | 79% | 0.793 | S | S | * | * | | | trans | -146.9 | 137.2 | 148.9 | -124.8 | 177.1 | -177.2 | -179.1 | 0 | 109.2 | | |
| 104 | Q | 27.1 | Very low | 29.6 | Very low | 144 Ų | 144 | 155.8 Ų | 155.8 | 67% | 0.673 | 80% | 0.796 | S | S | * | * | | | trans | -122.4 | 152.7 | -179.7 | -59.4 | 173.6 | 2.6 | 0 | 0 | 108.9 | H102 | H102-Q104 PolarHBondContact NE2-NE2 2.86Å; H102-Q104 VanDerWaalsContact NE2-NE2 3.16Å |
| 105 | I | 30.1 | Very low | 29.7 | Very low | 166 Ų | 166 | 158 Ų | 158 | 85% | 0.851 | 80% | 0.796 | S | S | * | * | | | trans | -175.9 | 116.1 | 144.3 | -91.9 | 144.1 | 0 | 0 | 0 | 104.5 | | |
| 106 | K | 27.4 | Very low | 29.8 | Very low | 167 Ų | 167 | 157 Ų | 157 | 73% | 0.726 | 79% | 0.792 | S | S | * | * | | | | 85.2 | 102.1 | 57.7 | -97.9 | -125.6 | 166.4 | -168.8 | 0 | 114.6 | | |
| 107 | F | 25.6 | Very low | 30 | Very low | 164 Ų | 164 | 160.7 Ų | 160.7 | 72% | 0.719 | 80% | 0.8 | S | S | * | * | | | trans | 48.1 | 127 | 145.4 | -66.4 | -101.5 | 0 | 0 | 0 | 120.7 | | |
| 108 | M | 29.3 | Very low | 30.2 | Very low | 175 Ų | 175 | 161.4 Ų | 161.4 | 86% | 0.862 | 80% | 0.796 | S | S | * | * | | | | -150 | 157.3 | 113.6 | -142.1 | 63 | 170.7 | 0 | 0 | 110.4 | | |
| 109 | E | 27.9 | Very low | 30.5 | Very low | 152 Ų | 152 | 159 Ų | 159 | 71% | 0.71 | 80% | 0.798 | S | S | * | * | | | trans | -134.5 | 132.6 | -172.1 | 167.3 | -176.4 | -162.1 | 0 | 0 | 108.3 | | |
| 110 | Y | 32.4 | Very low | 30.8 | Very low | 222 Ų | 222 | 156.9 Ų | 156.9 | 87% | 0.871 | 79% | 0.793 | S | S | * | * | | | trans | -154.8 | 161.6 | 167.7 | -98.8 | -66.9 | 0 | 0 | 0 | 112.9 | | |
| 111 | V | 31.6 | Very low | 30.7 | Very low | 112 Ų | 112 | 154.8 Ų | 154.8 | 68% | 0.679 | 79% | 0.79 | S | S | * | * | | | trans | -138.2 | 144 | -156.2 | 173.5 | 0 | 0 | 0 | 0 | 111.8 | | |
| 112 | S | 33.2 | Very low | 31 | Very low | 111 Ų | 111 | 152.5 Ų | 152.5 | 78% | 0.776 | 79% | 0.788 | S | S | * | * | | | trans | 172.1 | 133.4 | 147.2 | -74.3 | 0 | 0 | 0 | 0 | 108 | | |
| 113 | E | 29.3 | Very low | 31 | Very low | 188 Ų | 188 | 151.1 Ų | 151.1 | 88% | 0.879 | 79% | 0.791 | S | S | * | * | | | cis | 90.4 | 133 | 42.5 | -72.6 | -149 | 139.8 | 0 | 0 | 115.6 | | |
| 114 | G | 32.7 | Very low | 31.1 | Very low | 75 Ų | 75 | 147.4 Ų | 147.4 | 77% | 0.773 | 78% | 0.78 | S | S | * | * | | | trans | 103 | 142.4 | -180 | 0 | 0 | 0 | 0 | 0 | 114.4 | | |
| 115 | E | 33 | Very low | 31.2 | Very low | 180 Ų | 180 | 149 Ų | 149 | 84% | 0.841 | 79% | 0.785 | S | S | * | * | | | cis | -152.1 | -174.5 | -1.3 | -93.5 | -126.9 | 108.9 | 0 | 0 | 111.7 | | |
| 116 | K | 32.4 | Very low | 31.3 | Very low | 179 Ų | 179 | 147.3 Ų | 147.3 | 78% | 0.778 | 78% | 0.778 | S | S | * | * | | | trans | -118.9 | 157.5 | -164 | -53.2 | 157.7 | -177.6 | 161.3 | 0 | 114.9 | | |
| 117 | K | 34.7 | Very low | 31.4 | Very low | 184 Ų | 184 | 144 Ų | 144 | 80% | 0.8 | 77% | 0.772 | S | S | * | * | | | trans | 177.1 | 131.4 | 137.5 | -88.9 | 137.9 | -159 | 160.3 | 0 | 109.5 | | |
| 118 | N | 32.3 | Very low | 31.7 | Very low | 148 Ų | 148 | 144 Ų | 144 | 79% | 0.791 | 78% | 0.777 | S | S | * | * | | | | 61.6 | 135.4 | 72.1 | -74.8 | 6.4 | 0 | 0 | 0 | 113.5 | | |
| 119 | T | 33.7 | Very low | 31.8 | Very low | 141 Ų | 141 | 139 Ų | 139 | 87% | 0.865 | 76% | 0.76 | S | S | * | * | | | cis | -160 | 177.3 | 5.7 | 4.4 | 0 | 0 | 0 | 0 | 108.5 | | |
| 120 | G | 34.4 | Very low | 32.1 | Very low | 66 Ų | 66 | 135.5 Ų | 135.5 | 68% | 0.68 | 75% | 0.75 | S | S | * | * | | | cis | -171.3 | -145.2 | 12.6 | 0 | 0 | 0 | 0 | 0 | 112 | | |
| 121 | V | 29.1 | Very low | 32.1 | Very low | 133 Ų | 133 | 127.6 Ų | 127.6 | 81% | 0.806 | 73% | 0.727 | S | S | * | * | | | trans | -143.8 | 156.4 | -175.5 | -158.4 | 0 | 0 | 0 | 0 | 111.6 | | |
| 122 | P | 35.5 | Very low | 32.2 | Very low | 127 Ų | 127 | 127.8 Ų | 127.8 | 83% | 0.825 | 72% | 0.719 | S | S | * | * | | | | -148 | 176.5 | 119.5 | 38.8 | -22.7 | 0 | 0 | 0 | 116.4 | | |
| 123 | T | 28.4 | Very low | 32.1 | Very low | 125 Ų | 125 | 129.8 Ų | 129.8 | 77% | 0.767 | 72% | 0.716 | S | S | * | * | | | trans | -137.7 | 162.3 | 175.4 | -39.8 | 0 | 0 | 0 | 0 | 108.8 | | |
| 124 | L | 32.2 | Very low | 32.2 | Very low | 137 Ų | 137 | 125.4 Ų | 125.4 | 72% | 0.717 | 71% | 0.707 | S | S | * | * | | | trans | 158.8 | 135.8 | 146.7 | -85.7 | 158.2 | 0 | 0 | 0 | 114.3 | | |
| 125 | K | 29.3 | Very low | 32.1 | Very low | 177 Ų | 177 | 129.8 Ų | 129.8 | 77% | 0.77 | 71% | 0.707 | S | S | * | * | | | trans | 44.4 | 157.8 | 133.2 | -63.6 | -174.6 | -165.3 | 173.3 | 0 | 121.2 | | |
| 126 | N | 32.2 | Very low | 32 | Very low | 130 Ų | 130 | 126.6 Ų | 126.6 | 70% | 0.695 | 70% | 0.696 | S | S | * | * | | | cis | -170.3 | -177.6 | 2.7 | -115.1 | 37 | 0 | 0 | 0 | 108 | | |
| 127 | T | 29.9 | Very low | 32 | Very low | 99 Ų | 99 | 126.3 Ų | 126.3 | 61% | 0.607 | 69% | 0.694 | S | S | * | * | | | cis | -177.6 | 165.9 | -37.5 | 39.1 | 0 | 0 | 0 | 0 | 110.9 | | |
| 128 | I | 32 | Very low | 31.9 | Very low | 162 Ų | 162 | 125.8 Ų | 125.8 | 83% | 0.831 | 70% | 0.697 | S | S | * | * | | | trans | 92 | 143.4 | 153.7 | -71.2 | 152.5 | 0 | 0 | 0 | 121.4 | | |
| 129 | S | 30.7 | Very low | 31.6 | Very low | 70 Ų | 70 | 124.2 Ų | 124.2 | 49% | 0.49 | 69% | 0.692 | S | S | . | * | | | trans | -108.8 | -148.7 | 172.7 | -35.5 | 0 | 0 | 0 | 0 | 111.7 | F593 | S129-F593 VanDerWaalsContact CB-O 3.25Å; S129-F593 WeakPolarHBondContact CB-O 3.25Å; S129-F593 PolarHBondContact OG-O 3.28Å |
| 130 | P | 36 | Very low | 31.6 | Very low | 80 Ų | 80 | 122.6 Ų | 122.6 | 52% | 0.519 | 69% | 0.687 | S | S | . | * | | | cis | -128.1 | -155.6 | -0.9 | 40.3 | -16.9 | 0 | 0 | 0 | 113.4 | F593 I594 S595 | P130-F593 HydrophobicContact CB-CB 3.34Å; P130-F593 HydrophobicContact CB-CD2 3.46Å; P130-F593 VanDerWaalsContact CB-CD2 3.46Å; P130-F593 HydrophobicContact CB-CG 3.71Å; P130-F593 HydrophobicContact CG-CD2 4.49Å; P130-I594 CarbonylContact C-O 3.55Å; P130-I594 WeakPolarHBondContact CA-O 3.37Å; P130-S595 PolarHBondContact O-OG 2.88Å; P130-S595 VanDerWaalsContact O-OG 3.07Å |
| 131 | S | 31.3 | Very low | 31.3 | Very low | 55 Ų | 55 | 127.5 Ų | 127.5 | 39% | 0.385 | 69% | 0.692 | S | S | . | * | | | cis | -175.4 | 167.8 | 10.7 | 101.2 | 0 | 0 | 0 | 0 | 109.1 | S595 | S131-S595 PolarHBondContact N-OG 3Š|
| 132 | K | 33.2 | Very low | 31.5 | Very low | 117 Ų | 117 | 127.1 Ų | 127.1 | 51% | 0.509 | 69% | 0.69 | S | S | . | * | | | cis | 171.2 | 158.9 | 3 | 167.9 | -176.4 | 177.6 | -120.3 | 0 | 112.4 | F593 | K132-F593 HydrophobicContact CB-CD1 4.26Å; K132-F593 HydrophobicContact CB-CE1 3.63Å; K132-F593 HydrophobicContact CB-CZ 3.85Å; K132-F593 HydrophobicContact CD-CE1 4.22Å; K132-F593 HydrophobicContact CD-CE2 4.36Å; K132-F593 HydrophobicContact CD-CZ 3.64Å; K132-F593 HydrophobicContact CG-CE1 3.7Å; K132-F593 HydrophobicContact CG-CZ 3.66Å |
| 133 | Q | 31.8 | Very low | 31.2 | Very low | 152 Ų | 152 | 129.2 Ų | 129.2 | 71% | 0.71 | 69% | 0.686 | S | S | * | * | | | trans | 76.4 | 164.4 | 163.1 | -88.3 | 163.9 | -65.2 | 0 | 0 | 120.2 | | |
| 134 | S | 30.8 | Very low | 31.3 | Very low | 97 Ų | 97 | 129.7 Ų | 129.7 | 68% | 0.678 | 68% | 0.683 | S | S | * | * | | | cis | -166.9 | 156.8 | -8.2 | 44.1 | 0 | 0 | 0 | 0 | 115.4 | | |
| 135 | E | 31.4 | Very low | 31.1 | Very low | 167 Ų | 167 | 131 Ų | 131 | 78% | 0.78 | 69% | 0.686 | S | S | * | * | | | trans | 19.8 | 153.1 | 148.9 | -46.6 | -175.9 | 176 | 0 | 0 | 123.3 | | |
| 136 | N | 32 | Very low | 31.3 | Very low | 113 Ų | 113 | 128.9 Ų | 128.9 | 60% | 0.604 | 69% | 0.688 | S | S | * | * | | | | -176.5 | 178.3 | 58.1 | -125.4 | -56.7 | 0 | 0 | 0 | 117.2 | | |
| 137 | K | 30.4 | Very low | 31.2 | Very low | 172 Ų | 172 | 127.5 Ų | 127.5 | 75% | 0.748 | 69% | 0.688 | S | S | * | * | | | trans | -42.3 | 152.2 | -176.6 | -59.5 | 143.2 | -175.9 | 157.2 | 0 | 122.8 | | |
| 138 | M | 32.6 | Very low | 31.3 | Very low | 174 Ų | 174 | 128.2 Ų | 128.2 | 86% | 0.857 | 69% | 0.694 | S | S | * | * | | | | 170 | 138.3 | 117.8 | -91.6 | 176.4 | 62.3 | 0 | 0 | 109.9 | | |
| 139 | V | 28 | Very low | 31 | Very low | 114 Ų | 114 | 126.7 Ų | 126.7 | 69% | 0.691 | 69% | 0.687 | S | S | * | * | | | cis | 98.2 | 101.7 | 29.6 | 176.1 | 0 | 0 | 0 | 0 | 115 | | |
| 140 | S | 33.4 | Very low | 30.8 | Very low | 107 Ų | 107 | 130.7 Ų | 130.7 | 75% | 0.748 | 70% | 0.703 | S | S | * | * | | | trans | 174.2 | 123.3 | 144.9 | -77.9 | 0 | 0 | 0 | 0 | 109.3 | | |
| 141 | Q | 28.4 | Very low | 30.4 | Very low | 169 Ų | 169 | 132.4 Ų | 132.4 | 79% | 0.79 | 71% | 0.712 | S | S | * | * | | | | 54.8 | 126.8 | 81.1 | -59.5 | -164.6 | 30.5 | 0 | 0 | 113.2 | | |
| 142 | T | 32.5 | Very low | 30 | Very low | 125 Ų | 125 | 134 Ų | 134 | 77% | 0.767 | 72% | 0.723 | S | S | * | * | | | cis | -137 | 149.8 | 42.4 | 33.2 | 0 | 0 | 0 | 0 | 113.7 | | |
| 143 | K | 28 | Very low | 29.6 | Very low | 172 Ų | 172 | 136.1 Ų | 136.1 | 75% | 0.748 | 74% | 0.738 | S | S | * | * | | | | 45.7 | 132 | 87.8 | -67.2 | 179.4 | 177.3 | 173.6 | 0 | 113.6 | | |
| 144 | L | 31.2 | Very low | 29.3 | Very low | 134 Ų | 134 | 137.5 Ų | 137.5 | 70% | 0.702 | 74% | 0.742 | S | S | * | * | | | cis | -148.9 | 152.1 | 44.4 | -73 | 162.2 | 0 | 0 | 0 | 114.5 | | |
| 145 | Q | 28.6 | Very low | 29.1 | Very low | 165 Ų | 165 | 140.3 Ų | 140.3 | 77% | 0.771 | 74% | 0.744 | S | S | * | * | | | trans | 40 | 148.1 | 132.6 | -62.7 | 170.1 | -27.8 | 0 | 0 | 122 | | |
| 146 | T | 33.4 | Very low | 28.9 | Very low | 132 Ų | 132 | 138.1 Ų | 138.1 | 81% | 0.81 | 74% | 0.737 | S | S | * | * | | | cis | -132.7 | 141.6 | 8.8 | 28.8 | 0 | 0 | 0 | 0 | 112.9 | | |
| 147 | S | 29.9 | Very low | 28.7 | Very low | 101 Ų | 101 | 139.3 Ų | 139.3 | 71% | 0.706 | 74% | 0.744 | S | S | * | * | | | trans | -88.7 | 172.9 | 150.6 | -47.4 | 0 | 0 | 0 | 0 | 109.4 | | |
| 148 | P | 32.1 | Very low | 28.5 | Very low | 114 Ų | 114 | 138.3 Ų | 138.3 | 74% | 0.74 | 74% | 0.742 | S | S | * | * | | | | -141.6 | 132.8 | 92 | 37.8 | -22.4 | 0 | 0 | 0 | 113.5 | | |
| 149 | L | 26.6 | Very low | 28.2 | Very low | 130 Ų | 130 | 139.1 Ų | 139.1 | 68% | 0.681 | 74% | 0.737 | S | S | * | * | | | | 77.2 | 138.1 | 104.4 | -82.7 | 60.8 | 0 | 0 | 0 | 113.5 | | |
| 150 | L | 25.4 | Very low | 28 | Very low | 155 Ų | 155 | 140.4 Ų | 140.4 | 81% | 0.812 | 74% | 0.739 | S | S | * | * | | | | 52.8 | 137.1 | 72.1 | -69.6 | 74.2 | 0 | 0 | 0 | 110.8 | | |
| 151 | T | 26.8 | Very low | 27.6 | Very low | 116 Ų | 116 | 144 Ų | 144 | 71% | 0.712 | 74% | 0.741 | S | S | * | * | | | cis | -150.1 | 179.1 | 49 | 45.6 | 0 | 0 | 0 | 0 | 113.8 | | |
| 152 | S | 24.6 | Very low | 27.3 | Very low | 88 Ų | 88 | 140.4 Ų | 140.4 | 62% | 0.615 | 74% | 0.735 | S | S | * | * | | | trans | 60.3 | 105.9 | 152.5 | 45 | 0 | 0 | 0 | 0 | 116.6 | | |
| 153 | I | 23.6 | Very low | 27 | Very low | 161 Ų | 161 | 140.4 Ų | 140.4 | 83% | 0.826 | 73% | 0.734 | S | S | * | * | | | | 53.8 | 99.9 | 66.3 | -50.3 | 163.2 | 0 | 0 | 0 | 111.1 | | |
| 154 | K | 25.2 | Very low | 26.9 | Very low | 182 Ų | 182 | 137.7 Ų | 137.7 | 79% | 0.791 | 73% | 0.728 | S | S | * | * | | | | -158.1 | 129.9 | 120.7 | -110.3 | 179.3 | -179.2 | -165.3 | 0 | 111 | | |
| 155 | H | 28.2 | Very low | 26.6 | Very low | 155 Ų | 155 | 137.6 Ų | 137.6 | 72% | 0.718 | 73% | 0.727 | S | S | * | * | | | trans | -59.9 | 147.4 | 143.6 | -87.2 | -113.2 | 0 | 0 | 0 | 107.7 | D157 | H155-D157 IonicContact ND1-OD2 2.78Å; H155-D157 PolarHBondContact ND1-OD2 3.16Å; H155-D157 VanDerWaalsContact ND1-OD2 3.08Å |
| 156 | D | 26.1 | Very low | 26.5 | Very low | 121 Ų | 121 | 137.3 Ų | 137.3 | 65% | 0.647 | 73% | 0.73 | S | S | * | * | | | trans | -151.9 | 102.4 | 136.5 | -97.3 | -48.1 | 0 | 0 | 0 | 107.9 | Q158 | D156-Q158 PolarHBondContact O-N 3.31Š|
| 157 | D | 28.6 | Very low | 26.1 | Very low | 139 Ų | 139 | 136.3 Ų | 136.3 | 74% | 0.743 | 72% | 0.715 | S | S | * | * | | | trans | -68.9 | 90.6 | 174.9 | -73.9 | -88.5 | 0 | 0 | 0 | 109.8 | H155 | H155-D157 IonicContact ND1-OD2 2.78Å; H155-D157 PolarHBondContact ND1-OD2 3.16Å; H155-D157 VanDerWaalsContact ND1-OD2 3.08Å |
| 158 | Q | 25.9 | Very low | 26.1 | Very low | 150 Ų | 150 | 138.1 Ų | 138.1 | 70% | 0.701 | 72% | 0.724 | S | S | * | * | | | trans | -125.6 | 102.1 | 179.9 | -70.8 | -150.4 | 13.7 | 0 | 0 | 114.7 | D156 | D156-Q158 PolarHBondContact O-N 3.31Š|
| 159 | Y | 25.2 | Very low | 25.7 | Very low | 191 Ų | 191 | 137.5 Ų | 137.5 | 75% | 0.749 | 71% | 0.711 | S | S | * | * | | | trans | 57.7 | 120.4 | 147.2 | -62.7 | -89.1 | 0 | 0 | 0 | 118.4 | | |
| 160 | L | 24.3 | Very low | 25.9 | Very low | 142 Ų | 142 | 139.9 Ų | 139.9 | 74% | 0.743 | 72% | 0.718 | S | S | * | * | | | | 49.8 | 73.5 | 74.8 | -68 | 166.5 | 0 | 0 | 0 | 114.2 | | |
| 161 | K | 24.3 | Very low | 25.9 | Very low | 182 Ų | 182 | 136 Ų | 136 | 79% | 0.791 | 71% | 0.705 | S | S | * | * | | | | -165.1 | 145.3 | 128.7 | -96.7 | 140.4 | -170.4 | 174.2 | 0 | 110 | | |
| 162 | S | 23 | Very low | 25.8 | Very low | 94 Ų | 94 | 135.3 Ų | 135.3 | 66% | 0.657 | 70% | 0.704 | S | S | * | * | | | cis | 76.4 | 46.6 | 16.2 | -38.3 | 0 | 0 | 0 | 0 | 115.9 | | |
| 163 | T | 27.1 | Very low | 25.8 | Very low | 124 Ų | 124 | 139.1 Ų | 139.1 | 76% | 0.761 | 71% | 0.712 | S | S | * | * | | | trans | -129.1 | 98.2 | 157.6 | 3.4 | 0 | 0 | 0 | 0 | 105.9 | | |
| 164 | L | 24.5 | Very low | 25.8 | Very low | 115 Ų | 115 | 136.8 Ų | 136.8 | 60% | 0.602 | 71% | 0.705 | S | S | * | * | | | cis | 66.4 | 128.7 | 27.9 | -132.3 | 172.2 | 0 | 0 | 0 | 110.8 | K167 | L164-K167 HydrophobicContact CD2-CD 4.49Š|
| 165 | I | 25.3 | Very low | 25.7 | Very low | 133 Ų | 133 | 136 Ų | 136 | 68% | 0.682 | 70% | 0.704 | S | S | * | * | | | trans | 75.2 | 132.8 | -177.9 | -48.9 | 149.9 | 0 | 0 | 0 | 111 | | |
| 166 | N | 26.6 | Very low | 25.5 | Very low | 159 Ų | 159 | 136.2 Ų | 136.2 | 85% | 0.85 | 71% | 0.71 | S | S | * | * | | | cis | -87.6 | 117.5 | 11.6 | -76.7 | -29.7 | 0 | 0 | 0 | 115.2 | | |
| 167 | K | 25.9 | Very low | 25.5 | Very low | 111 Ų | 111 | 135.9 Ų | 135.9 | 48% | 0.483 | 71% | 0.712 | S | S | . | * | | | trans | -82.6 | 144.3 | 145.8 | -58.6 | 139.5 | 92.4 | 179.9 | 0 | 106.4 | L164 Q169 | L164-K167 HydrophobicContact CD2-CD 4.49Å; K167-Q169 HydrophobicContact CB-CB 3.77Å; K167-Q169 HydrophobicContact CD-CB 4.33Å; K167-Q169 PolarHBondContact O-N 3.45Å; K167-Q169 VanDerWaalsContact O-N 3.08Å |
| 168 | P | 29 | Very low | 25.2 | Very low | 138 Ų | 138 | 135.6 Ų | 135.6 | 90% | 0.896 | 71% | 0.711 | S | S | * | * | | | trans | -71.5 | 84.9 | 140.3 | 30.2 | -28.6 | 0 | 0 | 0 | 106.9 | H170 | P168-H170 PolarHBondContact O-N 3.28Š|
| 169 | Q | 24.4 | Very low | 25.3 | Very low | 101 Ų | 101 | 134.1 Ų | 134.1 | 47% | 0.472 | 71% | 0.712 | S | S | . | * | | | trans | -90 | 96.8 | 177.1 | 179 | -179.9 | -16.1 | 0 | 0 | 109.2 | K167 S171 | K167-Q169 HydrophobicContact CB-CB 3.77Å; K167-Q169 HydrophobicContact CD-CB 4.33Å; K167-Q169 PolarHBondContact O-N 3.45Å; K167-Q169 VanDerWaalsContact O-N 3.08Å; Q169-S171 PolarHBondContact NE2-OG 2.96Å |
| 170 | H | 29.1 | Very low | 25.3 | Very low | 180 Ų | 180 | 130 Ų | 130 | 83% | 0.833 | 71% | 0.707 | S | S | * | * | | | trans | -110.8 | 78.2 | 152.7 | -85.5 | -75.8 | 0 | 0 | 0 | 110.2 | P168 S172 | P168-H170 PolarHBondContact O-N 3.28Å; H170-S172 PolarHBondContact O-N 2.72Å |
| 171 | S | 25.6 | Very low | 25.4 | Very low | 75 Ų | 75 | 129.1 Ų | 129.1 | 52% | 0.524 | 70% | 0.702 | S | S | . | * | | | trans | -72.4 | 96 | 155.9 | 50 | 0 | 0 | 0 | 0 | 109.1 | Q169 | Q169-S171 PolarHBondContact NE2-OG 2.96Š|
| 172 | S | 25.3 | Very low | 25.6 | Very low | 101 Ų | 101 | 125.3 Ų | 125.3 | 71% | 0.706 | 70% | 0.699 | S | S | * | * | | | trans | -124.4 | 109.1 | 149.8 | -60 | 0 | 0 | 0 | 0 | 103.8 | H170 | H170-S172 PolarHBondContact O-N 2.72Š|
| 173 | Q | 23.7 | Very low | 25.9 | Very low | 167 Ų | 167 | 125.7 Ų | 125.7 | 78% | 0.78 | 69% | 0.693 | S | S | * | * | | | cis | 52.8 | 129.8 | 41.7 | -159.5 | -170.3 | -11.5 | 0 | 0 | 111.2 | | |
| 174 | V | 23.6 | Very low | 26.1 | Very low | 112 Ų | 112 | 126.6 Ų | 126.6 | 68% | 0.679 | 69% | 0.689 | S | S | * | * | | | trans | 72 | 131.4 | -175 | -164.2 | 0 | 0 | 0 | 0 | 111.2 | | |
| 175 | Q | 23.9 | Very low | 26.2 | Very low | 165 Ų | 165 | 127.4 Ų | 127.4 | 77% | 0.771 | 69% | 0.693 | S | S | * | * | | | cis | -132.3 | 155 | 6.6 | -145.8 | 134.4 | 2.1 | 0 | 0 | 113.4 | T177 | Q175-T177 PolarHBondContact O-N 3.32Š|
| 176 | L | 24.9 | Very low | 26.2 | Very low | 161 Ų | 161 | 126.1 Ų | 126.1 | 84% | 0.843 | 69% | 0.692 | S | S | * | * | | | trans | -68.4 | 115.9 | 150.9 | -81.2 | 153.1 | 0 | 0 | 0 | 109.1 | | |
| 177 | T | 24.6 | Very low | 26.3 | Very low | 113 Ų | 113 | 126 Ų | 126 | 69% | 0.693 | 69% | 0.69 | S | S | * | * | | | trans | -144 | 133.1 | 145.3 | 28 | 0 | 0 | 0 | 0 | 104.8 | Q175 | Q175-T177 PolarHBondContact O-N 3.32Š|
| 178 | N | 24.1 | Very low | 26.2 | Very low | 133 Ų | 133 | 127.4 Ų | 127.4 | 71% | 0.711 | 70% | 0.703 | S | S | * | * | | | | 55 | 130.9 | 65.4 | -59 | -11.1 | 0 | 0 | 0 | 108.8 | | |
| 179 | T | 26 | Very low | 26.3 | Very low | 119 Ų | 119 | 129.3 Ų | 129.3 | 73% | 0.73 | 70% | 0.697 | S | S | * | * | | | cis | -173.4 | 148.8 | 31.8 | 4.4 | 0 | 0 | 0 | 0 | 104.5 | | |
| 180 | T | 26.3 | Very low | 26.3 | Very low | 105 Ų | 105 | 129.1 Ų | 129.1 | 64% | 0.644 | 71% | 0.707 | S | S | * | * | | | cis | -172.4 | -169.6 | -5.1 | 11.4 | 0 | 0 | 0 | 0 | 108 | | |
| 181 | I | 26.3 | Very low | 26.1 | Very low | 123 Ų | 123 | 127.4 Ų | 127.4 | 63% | 0.631 | 70% | 0.704 | S | S | * | * | | | | 18.4 | 125 | 128.9 | -55.7 | 158.2 | 0 | 0 | 0 | 114.6 | | |
| 182 | S | 27.9 | Very low | 26.2 | Very low | 103 Ų | 103 | 129 Ų | 129 | 72% | 0.72 | 71% | 0.711 | S | S | * | * | | | cis | -134 | 130.3 | 39.9 | -105.5 | 0 | 0 | 0 | 0 | 111.6 | | |
| 183 | N | 29 | Very low | 26.3 | Very low | 101 Ų | 101 | 129.8 Ų | 129.8 | 54% | 0.54 | 71% | 0.707 | S | S | . | * | | | | 93.9 | 151.8 | 51.1 | -77.1 | 11.1 | 0 | 0 | 0 | 112.3 | | |
| 184 | H | 31.3 | Very low | 26.5 | Very low | 144 Ų | 144 | 128.4 Ų | 128.4 | 67% | 0.667 | 70% | 0.7 | S | S | * | * | | | trans | 72.7 | 131.8 | 158.4 | -53 | -48.4 | 0 | 0 | 0 | 118.8 | | |
| 185 | N | 28.2 | Very low | 26.7 | Very low | 131 Ų | 131 | 131.2 Ų | 131.2 | 70% | 0.701 | 70% | 0.7 | S | S | * | * | | | cis | -154.2 | 156.1 | -30.7 | -124.7 | 8 | 0 | 0 | 0 | 112.4 | | |
| 186 | T | 25.4 | Very low | 26.9 | Very low | 106 Ų | 106 | 130.2 Ų | 130.2 | 65% | 0.65 | 70% | 0.697 | S | S | * | * | | | trans | -32.3 | 130.6 | 150.7 | 53.5 | 0 | 0 | 0 | 0 | 115 | | |
| 187 | L | 26.8 | Very low | 27.1 | Very low | 156 Ų | 156 | 128 Ų | 128 | 82% | 0.817 | 69% | 0.686 | S | S | * | * | | | | -169.8 | 116.9 | 113.9 | -114.6 | 58 | 0 | 0 | 0 | 105.5 | | |
| 188 | D | 25.4 | Very low | 27.4 | Very low | 141 Ų | 141 | 128.4 Ų | 128.4 | 75% | 0.754 | 68% | 0.684 | S | S | * | * | | | | 79.1 | 165.6 | 66.4 | -155.2 | 12.7 | 0 | 0 | 0 | 112.8 | | |
| 189 | K | 29.9 | Very low | 27.8 | Very low | 179 Ų | 179 | 127.8 Ų | 127.8 | 78% | 0.778 | 68% | 0.681 | S | S | * | * | | | trans | -83.1 | 175.6 | -162.4 | -63.8 | 162.2 | -178.2 | 162.9 | 0 | 113.4 | | |
| 190 | S | 25.6 | Very low | 28.2 | Very low | 96 Ų | 96 | 128.3 Ų | 128.3 | 67% | 0.671 | 68% | 0.679 | S | S | * | * | | | trans | 86.6 | 144.3 | 154.6 | 84.7 | 0 | 0 | 0 | 0 | 115.4 | | |
| 191 | N | 25.4 | Very low | 28.6 | Very low | 145 Ų | 145 | 129 Ų | 129 | 78% | 0.775 | 68% | 0.679 | S | S | * | * | | | trans | 69.2 | 143.1 | 139 | -66.9 | 0.7 | 0 | 0 | 0 | 118.5 | | |
| 192 | V | 26.8 | Very low | 29 | Very low | 109 Ų | 109 | 128.5 Ų | 128.5 | 66% | 0.661 | 68% | 0.677 | S | S | * | * | | | cis | -163.6 | 156.3 | -18.2 | 79.8 | 0 | 0 | 0 | 0 | 108.8 | | |
| 193 | N | 27 | Very low | 29.3 | Very low | 117 Ų | 117 | 130.4 Ų | 130.4 | 63% | 0.626 | 68% | 0.679 | S | S | * | * | | | trans | 64.3 | 156.4 | 158.1 | -71.1 | -9.8 | 0 | 0 | 0 | 121.1 | | |
| 194 | Q | 28 | Very low | 29.3 | Very low | 138 Ų | 138 | 130.1 Ų | 130.1 | 65% | 0.645 | 68% | 0.682 | S | S | * | * | | | trans | 71 | 143.6 | 143.4 | -76.3 | 158.2 | 22.8 | 0 | 0 | 118.3 | | |
| 195 | Y | 27.3 | Very low | 29.2 | Very low | 171 Ų | 171 | 130.8 Ų | 130.8 | 67% | 0.671 | 69% | 0.685 | S | S | * | * | | | cis | -153.2 | 147.4 | 7.3 | -117.6 | -46.6 | 0 | 0 | 0 | 111.6 | | |
| 196 | M | 28.8 | Very low | 29.1 | Very low | 144 Ų | 144 | 133.1 Ų | 133.1 | 71% | 0.709 | 69% | 0.689 | S | S | * | * | | | trans | 62.9 | 149.9 | 155.6 | -55.4 | -45.8 | -163.5 | 0 | 0 | 118.4 | | |
| 197 | N | 29.3 | Very low | 29.3 | Very low | 113 Ų | 113 | 135 Ų | 135 | 60% | 0.604 | 69% | 0.694 | S | S | * | * | | | cis | -154.5 | 152.5 | -6.2 | -128.7 | -2.5 | 0 | 0 | 0 | 111.4 | | |
| 198 | N | 29.9 | Very low | 29.2 | Very low | 122 Ų | 122 | 134.6 Ų | 134.6 | 65% | 0.652 | 69% | 0.693 | S | S | * | * | | | trans | 38.1 | 124.5 | 134.1 | -65.3 | 5.2 | 0 | 0 | 0 | 119.1 | | |
| 199 | N | 33.6 | Very low | 29.4 | Very low | 121 Ų | 121 | 136 Ų | 136 | 65% | 0.647 | 69% | 0.692 | S | S | * | * | | | cis | -168.5 | 147.4 | 39.7 | -98.9 | -21 | 0 | 0 | 0 | 112.7 | | |
| 200 | N | 34 | Very low | 29.2 | Very low | 130 Ų | 130 | 136.8 Ų | 136.8 | 70% | 0.695 | 69% | 0.691 | S | S | * | * | | | | 59.8 | 137.8 | 129.2 | -56.7 | 8.4 | 0 | 0 | 0 | 120.9 | | |
| 201 | N | 35 | Very low | 29.3 | Very low | 120 Ų | 120 | 139.8 Ų | 139.8 | 64% | 0.642 | 69% | 0.693 | S | S | * | * | | | cis | -150.7 | 148.2 | 4.5 | -111.4 | 20 | 0 | 0 | 0 | 112.8 | | |
| 202 | D | 34.6 | Very low | 29.5 | Very low | 111 Ų | 111 | 139.1 Ų | 139.1 | 59% | 0.594 | 70% | 0.695 | S | S | * | * | | | trans | 25.7 | 126.9 | 136.2 | -35.6 | -35.3 | 0 | 0 | 0 | 119.5 | | |
| 203 | N | 34.1 | Very low | 29.5 | Very low | 143 Ų | 143 | 141.3 Ų | 141.3 | 77% | 0.765 | 70% | 0.698 | S | S | * | * | | | cis | -156.6 | 132.1 | 39.7 | -78.5 | -86.4 | 0 | 0 | 0 | 110.5 | | |
| 204 | T | 28.7 | Very low | 29.8 | Very low | 96 Ų | 96 | 141.7 Ų | 141.7 | 59% | 0.589 | 71% | 0.707 | S | S | * | * | | | | 63.7 | 116.3 | 59.4 | 53.9 | 0 | 0 | 0 | 0 | 118.2 | | |
| 205 | Q | 29.2 | Very low | 29.7 | Very low | 157 Ų | 157 | 141.1 Ų | 141.1 | 73% | 0.734 | 71% | 0.708 | S | S | * | * | | | trans | 81.9 | 121.5 | 137.2 | -68.3 | -179.5 | 91.6 | 0 | 0 | 122.3 | | |
| 206 | K | 25.6 | Very low | 30 | Very low | 180 Ų | 180 | 138.5 Ų | 138.5 | 78% | 0.783 | 71% | 0.712 | S | S | * | * | | | | 24 | 120.8 | 123.3 | -58.1 | 170.7 | 177.4 | 173 | 0 | 117.7 | | |
| 207 | L | 30 | Very low | 29.9 | Very low | 147 Ų | 147 | 138.5 Ų | 138.5 | 77% | 0.77 | 71% | 0.713 | S | S | * | * | | | | -167.5 | 134.7 | 113.9 | -86.4 | 139.6 | 0 | 0 | 0 | 105.8 | F209 | L207-F209 HydrophobicContact CD2-CE2 4.05Š|
| 208 | N | 24.8 | Very low | 30 | Very low | 146 Ų | 146 | 144.9 Ų | 144.9 | 78% | 0.781 | 73% | 0.729 | S | S | * | * | | | | 68 | 152.6 | 64.9 | -107.5 | -4.4 | 0 | 0 | 0 | 114.8 | | |
| 209 | F | 30.5 | Very low | 29.9 | Very low | 171 Ų | 171 | 147.6 Ų | 147.6 | 75% | 0.75 | 74% | 0.735 | S | S | * | * | | | trans | 75.2 | 149.6 | -172.6 | -52.6 | -76.9 | 0 | 0 | 0 | 116 | L207 | L207-F209 HydrophobicContact CD2-CE2 4.05Š|
| 210 | R | 25.7 | Very low | 29.8 | Very low | 196 Ų | 196 | 149.6 Ų | 149.6 | 74% | 0.74 | 74% | 0.744 | S | S | * | * | | | cis | 166.6 | 125.6 | -38.9 | -112.3 | -168.4 | 179.3 | -166.6 | 0.7 | 106.7 | | |
| 211 | H | 26.3 | Very low | 29.5 | Very low | 158 Ų | 158 | 147.8 Ų | 147.8 | 73% | 0.731 | 74% | 0.741 | S | S | * | * | | | trans | 60.3 | 171.2 | 167.8 | -49.7 | -66.7 | 0 | 0 | 0 | 114.4 | | |
| 212 | T | 30.7 | Very low | 29.4 | Very low | 132 Ų | 132 | 148.4 Ų | 148.4 | 81% | 0.81 | 75% | 0.75 | S | S | * | * | | | cis | -146.8 | 161.3 | 9.2 | -33.5 | 0 | 0 | 0 | 0 | 110.3 | | |
| 213 | E | 26.4 | Very low | 29 | Very low | 155 Ų | 155 | 153 Ų | 153 | 72% | 0.724 | 76% | 0.759 | S | S | * | * | | | trans | -67.7 | 170.6 | 164.6 | -53.1 | -170.2 | 150.6 | 0 | 0 | 112 | | |
| 214 | P | 32.6 | Very low | 28.9 | Very low | 124 Ų | 124 | 151.3 Ų | 151.3 | 81% | 0.805 | 75% | 0.75 | S | S | * | * | | | | -148.3 | 151.6 | 92.3 | 38 | -21.3 | 0 | 0 | 0 | 117.5 | | |
| 215 | N | 27.4 | Very low | 29.1 | Very low | 127 Ų | 127 | 152.5 Ų | 152.5 | 68% | 0.679 | 75% | 0.753 | S | S | * | * | | | trans | -74.8 | 156.8 | 155.3 | -81.3 | -86.2 | 0 | 0 | 0 | 110.7 | | |
| 216 | P | 33.9 | Very low | 29.2 | Very low | 116 Ų | 116 | 150.7 Ų | 150.7 | 75% | 0.753 | 75% | 0.748 | S | S | * | * | | | | -158.1 | 129.2 | 102.2 | 36.7 | -15.8 | 0 | 0 | 0 | 119.2 | | |
| 217 | I | 26.6 | Very low | 29.7 | Very low | 143 Ų | 143 | 148.6 Ų | 148.6 | 73% | 0.733 | 75% | 0.745 | S | S | * | * | | | | 18.5 | 124.7 | 124.2 | -53 | 166.2 | 0 | 0 | 0 | 119.8 | | |
| 218 | R | 30.4 | Very low | 29.7 | Very low | 248 Ų | 248 | 147.6 Ų | 147.6 | 94% | 0.936 | 74% | 0.74 | S | S | * | * | | | trans | -175.5 | 173 | 133.5 | -102.2 | 170.7 | -161.2 | -147.2 | 6.3 | 111 | | |
| 219 | K | 27.5 | Very low | 29.9 | Very low | 178 Ų | 178 | 146.9 Ų | 146.9 | 77% | 0.774 | 74% | 0.735 | S | S | * | * | | | | -163.9 | 166.4 | -77.4 | -142 | 177.8 | -175.2 | -178.8 | 0 | 107.5 | | |
| 220 | I | 31.9 | Very low | 29.8 | Very low | 164 Ų | 164 | 145.4 Ų | 145.4 | 84% | 0.841 | 74% | 0.735 | S | S | * | * | | | trans | 77 | 154.8 | 168.4 | -53.1 | 150.7 | 0 | 0 | 0 | 115.3 | | |
| 221 | S | 26.7 | Very low | 29.9 | Very low | 91 Ų | 91 | 142 Ų | 142 | 64% | 0.636 | 73% | 0.731 | S | S | * | * | | | cis | -174 | 158.9 | -45.7 | -158.4 | 0 | 0 | 0 | 0 | 111.6 | | |
| 222 | T | 33.1 | Very low | 30.2 | Very low | 133 Ų | 133 | 139.3 Ų | 139.3 | 82% | 0.816 | 73% | 0.726 | S | S | * | * | | | trans | 60.9 | 170.3 | 162.6 | 57.8 | 0 | 0 | 0 | 0 | 120.5 | | |
| 223 | R | 27.3 | Very low | 30.1 | Very low | 209 Ų | 209 | 141.1 Ų | 141.1 | 79% | 0.789 | 73% | 0.725 | S | S | * | * | | | | -172.5 | 149.8 | -53.7 | -158.9 | -166.6 | 167.9 | 153.5 | 2.4 | 110.2 | | |
| 224 | N | 31 | Very low | 30.4 | Very low | 106 Ų | 106 | 137.8 Ų | 137.8 | 57% | 0.567 | 72% | 0.719 | S | S | * | * | | | trans | 75.8 | 142.8 | 149.1 | -97.7 | 32.3 | 0 | 0 | 0 | 121 | | |
| 225 | N | 32.7 | Very low | 30.4 | Very low | 122 Ų | 122 | 139 Ų | 139 | 65% | 0.652 | 71% | 0.713 | S | S | * | * | | | trans | 70.9 | 151.1 | 144.8 | -64.2 | 15 | 0 | 0 | 0 | 118.4 | | |
| 226 | N | 33.1 | Very low | 30.7 | Very low | 118 Ų | 118 | 141 Ų | 141 | 63% | 0.631 | 72% | 0.718 | S | S | * | * | | | cis | -166.4 | 166 | -10 | -109.5 | 2.4 | 0 | 0 | 0 | 109.5 | | |
| 227 | N | 34.2 | Very low | 30.6 | Very low | 137 Ų | 137 | 139.9 Ų | 139.9 | 73% | 0.733 | 71% | 0.713 | S | S | * | * | | | trans | 66.5 | 163.4 | 148.3 | -71.3 | -0.7 | 0 | 0 | 0 | 119.3 | | |
| 228 | N | 31.5 | Very low | 30.8 | Very low | 125 Ų | 125 | 140.4 Ų | 140.4 | 67% | 0.668 | 72% | 0.717 | S | S | * | * | | | cis | -168.7 | 168.2 | -42.9 | -133 | -14.9 | 0 | 0 | 0 | 110.2 | | |
| 229 | I | 28.5 | Very low | 30.7 | Very low | 131 Ų | 131 | 135.8 Ų | 135.8 | 67% | 0.672 | 71% | 0.709 | S | S | * | * | | | trans | 68 | 104.4 | 142.4 | -72 | 166.2 | 0 | 0 | 0 | 120.6 | | |
| 230 | L | 27.5 | Very low | 30.8 | Very low | 141 Ų | 141 | 132.5 Ų | 132.5 | 74% | 0.738 | 71% | 0.706 | S | S | * | * | | | | 80.3 | 153.1 | 111.4 | -151.8 | 76.6 | 0 | 0 | 0 | 122.5 | | |
| 231 | N | 28.6 | Very low | 30.6 | Very low | 125 Ų | 125 | 130.8 Ų | 130.8 | 67% | 0.668 | 70% | 0.703 | S | S | * | * | | | trans | 72.8 | 148.7 | 160.9 | -78.5 | -13.2 | 0 | 0 | 0 | 117.8 | | |
| 232 | T | 32.5 | Very low | 30.6 | Very low | 100 Ų | 100 | 136.3 Ų | 136.3 | 61% | 0.613 | 72% | 0.716 | S | S | * | * | | | cis | -161.2 | 150.7 | -0.9 | 12.6 | 0 | 0 | 0 | 0 | 110.6 | | |
| 233 | H | 29.1 | Very low | 30.3 | Very low | 171 Ų | 171 | 136.7 Ų | 136.7 | 79% | 0.792 | 71% | 0.708 | S | S | * | * | | | trans | 45.4 | 141.5 | 136.6 | -67.7 | 64.2 | 0 | 0 | 0 | 120.6 | | |
| 234 | S | 31.5 | Very low | 30.4 | Very low | 85 Ų | 85 | 130 Ų | 130 | 59% | 0.594 | 71% | 0.705 | S | S | * | * | | | cis | 177.8 | 177 | 11.7 | 41.3 | 0 | 0 | 0 | 0 | 113.4 | | |
| 235 | H | 33.9 | Very low | 30.3 | Very low | 150 Ų | 150 | 133.1 Ų | 133.1 | 69% | 0.694 | 71% | 0.713 | S | S | * | * | | | trans | 79.4 | 117.9 | 149.8 | -72 | -58.8 | 0 | 0 | 0 | 123.4 | | |
| 236 | H | 33 | Very low | 30.1 | Very low | 168 Ų | 168 | 132.4 Ų | 132.4 | 78% | 0.778 | 72% | 0.717 | S | S | * | * | | | trans | 62 | 146.7 | 143.7 | -61.8 | -57.1 | 0 | 0 | 0 | 120.6 | | |
| 237 | S | 32.3 | Very low | 29.9 | Very low | 93 Ų | 93 | 133.4 Ų | 133.4 | 65% | 0.65 | 72% | 0.721 | S | S | * | * | | | cis | -164.4 | 156.1 | -3.1 | 44 | 0 | 0 | 0 | 0 | 112.9 | | |
| 238 | L | 30.3 | Very low | 29.5 | Very low | 154 Ų | 154 | 132.1 Ų | 132.1 | 81% | 0.806 | 72% | 0.723 | S | S | * | * | | | trans | 67.1 | 115.5 | 166.9 | -59.6 | 160.5 | 0 | 0 | 0 | 116.2 | | |
| 239 | I | 29 | Very low | 29.3 | Very low | 150 Ų | 150 | 130.9 Ų | 130.9 | 77% | 0.769 | 72% | 0.724 | S | S | * | * | | | cis | 77 | 128.6 | 36.4 | -55.2 | 178.7 | 0 | 0 | 0 | 112.1 | | |
| 240 | P | 29.6 | Very low | 29.1 | Very low | 110 Ų | 110 | 130.6 Ų | 130.6 | 71% | 0.714 | 73% | 0.729 | S | S | * | * | | | cis | -117.7 | 131.7 | 20.1 | 36.2 | -22.8 | 0 | 0 | 0 | 117.6 | | |
| 241 | V | 27.4 | Very low | 29.1 | Very low | 128 Ų | 128 | 131.8 Ų | 131.8 | 78% | 0.776 | 74% | 0.735 | S | S | * | * | | | trans | -95.3 | 131.5 | 147.4 | 171.3 | 0 | 0 | 0 | 0 | 107.4 | Q243 | V241-Q243 PolarHBondContact O-N 2.9Å; V241-Q243 VanDerWaalsContact O-N 3.08Å |
| 242 | F | 27.4 | Very low | 28.8 | Very low | 206 Ų | 206 | 130.8 Ų | 130.8 | 90% | 0.904 | 74% | 0.738 | S | S | * | * | | | trans | -80.8 | 90.7 | 178.3 | -123.6 | -78.4 | 0 | 0 | 0 | 111.7 | | |
| 243 | Q | 26.7 | Very low | 28.5 | Very low | 141 Ų | 141 | 134.1 Ų | 134.1 | 66% | 0.659 | 75% | 0.749 | S | S | * | * | | | trans | -87.5 | 113.1 | 163.8 | -74.3 | -173.9 | -13.7 | 0 | 0 | 111.1 | V241 | V241-Q243 PolarHBondContact O-N 2.9Å; V241-Q243 VanDerWaalsContact O-N 3.08Å |
| 244 | G | 29.5 | Very low | 28.3 | Very low | 70 Ų | 70 | 132.2 Ų | 132.2 | 72% | 0.722 | 75% | 0.749 | S | S | * | * | | | trans | -93.4 | 109.9 | 130.3 | 0 | 0 | 0 | 0 | 0 | 106 | | |
| 245 | K | 27.6 | Very low | 28.1 | Very low | 171 Ų | 171 | 132.6 Ų | 132.6 | 74% | 0.743 | 76% | 0.758 | S | S | * | * | | | | 59.3 | 127.1 | 61.8 | -57 | 177.7 | -176.4 | -179.5 | 0 | 110.9 | | |
| 246 | S | 28.6 | Very low | 27.7 | Very low | 106 Ų | 106 | 130.6 Ų | 130.6 | 74% | 0.741 | 76% | 0.756 | S | S | * | * | | | cis | -142.6 | 142.3 | 11.1 | 36.7 | 0 | 0 | 0 | 0 | 109.9 | | |
| 247 | I | 29.3 | Very low | 27.3 | Very low | 139 Ų | 139 | 130 Ų | 130 | 71% | 0.713 | 76% | 0.757 | S | S | * | * | | | | 56 | 97.1 | 70.1 | -54.9 | 164.7 | 0 | 0 | 0 | 108.5 | | |
| 248 | S | 25.7 | Very low | 27 | Very low | 111 Ų | 111 | 132.4 Ų | 132.4 | 78% | 0.776 | 76% | 0.761 | S | S | * | * | | | | 76.7 | 90.4 | 71 | 176.3 | 0 | 0 | 0 | 0 | 114.9 | | |
| 249 | S | 28.2 | Very low | 26.9 | Very low | 98 Ų | 98 | 130 Ų | 130 | 69% | 0.685 | 75% | 0.753 | S | S | * | * | | | trans | -165 | 132.3 | 149.3 | 39.8 | 0 | 0 | 0 | 0 | 106.6 | | |
| 250 | T | 24.2 | Very low | 26.9 | Very low | 125 Ų | 125 | 128.2 Ų | 128.2 | 77% | 0.767 | 75% | 0.749 | S | S | * | * | | | | 57.5 | 142.3 | 62.4 | 65 | 0 | 0 | 0 | 0 | 113.6 | | |
| 251 | L | 26.8 | Very low | 26.9 | Very low | 166 Ų | 166 | 128.3 Ų | 128.3 | 87% | 0.869 | 75% | 0.748 | S | S | * | * | | | trans | 76.9 | 124.6 | -161.1 | -54.7 | 151 | 0 | 0 | 0 | 111.9 | | |
| 252 | S | 22.9 | Very low | 26.9 | Very low | 104 Ų | 104 | 127.6 Ų | 127.6 | 73% | 0.727 | 74% | 0.744 | S | S | * | * | | | cis | 80.1 | 79.3 | 28.1 | -159.1 | 0 | 0 | 0 | 0 | 114.8 | | |
| 253 | M | 26.3 | Very low | 26.9 | Very low | 171 Ų | 171 | 122.9 Ų | 122.9 | 84% | 0.842 | 73% | 0.732 | S | S | * | * | | | trans | -174 | 140 | 139.5 | -93.9 | 159.5 | -167 | 0 | 0 | 105.7 | | |
| 254 | T | 24.4 | Very low | 26.9 | Very low | 131 Ų | 131 | 121.9 Ų | 121.9 | 80% | 0.804 | 74% | 0.736 | S | S | * | * | | | cis | 64.1 | 51.2 | 37.7 | 75.7 | 0 | 0 | 0 | 0 | 115.4 | | |
| 255 | A | 26.6 | Very low | 27 | Very low | 93 Ų | 93 | 124 Ų | 124 | 77% | 0.769 | 74% | 0.735 | S | S | * | * | | | trans | -147.4 | 129 | 144.3 | 0 | 0 | 0 | 0 | 0 | 107.7 | | |
| 256 | T | 26 | Very low | 27 | Very low | 108 Ų | 108 | 121.3 Ų | 121.3 | 66% | 0.663 | 73% | 0.733 | S | S | * | * | | | cis | 110.5 | 90.6 | 21.5 | -66 | 0 | 0 | 0 | 0 | 111.5 | | |
| 257 | I | 24.9 | Very low | 27.1 | Very low | 154 Ų | 154 | 121.7 Ų | 121.7 | 79% | 0.79 | 73% | 0.731 | S | S | * | * | | | trans | 68.2 | -175.6 | 147.5 | -55.2 | 171.4 | 0 | 0 | 0 | 114.1 | | |
| 258 | I | 26.5 | Very low | 27 | Very low | 144 Ų | 144 | 120.7 Ų | 120.7 | 74% | 0.738 | 73% | 0.732 | S | S | * | * | | | trans | 85.5 | 102.2 | 166.4 | -53.4 | -178.2 | 0 | 0 | 0 | 113.7 | | |
| 259 | T | 27.3 | Very low | 27.2 | Very low | 103 Ų | 103 | 121.4 Ų | 121.4 | 63% | 0.632 | 73% | 0.731 | S | S | * | * | | | cis | -163 | 176.6 | -5.3 | -4.2 | 0 | 0 | 0 | 0 | 111.3 | | |
| 260 | T | 29 | Very low | 27.1 | Very low | 113 Ų | 113 | 122.3 Ų | 122.3 | 69% | 0.693 | 73% | 0.733 | S | S | * | * | | | trans | 56 | 133 | 144 | 54 | 0 | 0 | 0 | 0 | 120.2 | | |
| 261 | T | 29.9 | Very low | 27.2 | Very low | 112 Ų | 112 | 121.4 Ų | 121.4 | 69% | 0.687 | 73% | 0.727 | S | S | * | * | | | cis | -167.1 | 139.3 | -15.1 | 18.8 | 0 | 0 | 0 | 0 | 103.7 | | |
| 262 | T | 26.3 | Very low | 27.3 | Very low | 113 Ų | 113 | 119.6 Ų | 119.6 | 69% | 0.693 | 72% | 0.719 | S | S | * | * | | | | 36.1 | 143.3 | 89.4 | 71.7 | 0 | 0 | 0 | 0 | 114.5 | | |
| 263 | T | 27.4 | Very low | 27.6 | Very low | 108 Ų | 108 | 120.7 Ų | 120.7 | 66% | 0.663 | 72% | 0.716 | S | S | * | * | | | cis | -162.7 | -177.9 | 29.5 | -27.7 | 0 | 0 | 0 | 0 | 110.7 | | |
| 264 | T | 28.1 | Very low | 27.6 | Very low | 119 Ų | 119 | 117.8 Ų | 117.8 | 73% | 0.73 | 71% | 0.708 | S | S | * | * | | | trans | 72.4 | 141.5 | 150.2 | 41.7 | 0 | 0 | 0 | 0 | 117.6 | | |
| 265 | T | 30.9 | Very low | 27.6 | Very low | 115 Ų | 115 | 116.5 Ų | 116.5 | 71% | 0.706 | 71% | 0.705 | S | S | * | * | | | cis | -151.1 | 134.9 | 3.8 | 7.2 | 0 | 0 | 0 | 0 | 107.1 | | |
| 266 | T | 27.6 | Very low | 27.6 | Very low | 115 Ų | 115 | 118.1 Ų | 118.1 | 71% | 0.706 | 71% | 0.705 | S | S | * | * | | | | 27 | 133.1 | 98.9 | 64.3 | 0 | 0 | 0 | 0 | 114.4 | | |
| 267 | T | 30.7 | Very low | 27.5 | Very low | 113 Ų | 113 | 117.6 Ų | 117.6 | 69% | 0.693 | 71% | 0.706 | S | S | * | * | | | cis | -154.8 | 136.9 | 43.2 | 43.2 | 0 | 0 | 0 | 0 | 108.9 | | |
| 268 | T | 26.4 | Very low | 27.6 | Very low | 119 Ų | 119 | 114.6 Ų | 114.6 | 73% | 0.73 | 70% | 0.698 | S | S | * | * | | | | 44.7 | 98.3 | 70.4 | 62.9 | 0 | 0 | 0 | 0 | 116.5 | | |
| 269 | T | 30.3 | Very low | 27.5 | Very low | 125 Ų | 125 | 113 Ų | 113 | 77% | 0.767 | 70% | 0.698 | S | S | * | * | | | trans | -170.5 | 129.6 | 136.1 | 39.4 | 0 | 0 | 0 | 0 | 106.4 | | |
| 270 | T | 26.1 | Very low | 27.5 | Very low | 117 Ų | 117 | 116.5 Ų | 116.5 | 72% | 0.718 | 71% | 0.705 | S | S | * | * | | | | 54.2 | 138.3 | 58.3 | 71.2 | 0 | 0 | 0 | 0 | 111.3 | | |
| 271 | T | 27.3 | Very low | 27.5 | Very low | 107 Ų | 107 | 117.4 Ų | 117.4 | 66% | 0.656 | 71% | 0.705 | S | S | * | * | | | cis | -169.4 | 172.2 | 14.4 | -6.1 | 0 | 0 | 0 | 0 | 106.8 | | |
| 272 | N | 28.6 | Very low | 27.3 | Very low | 128 Ų | 128 | 115.9 Ų | 115.9 | 68% | 0.684 | 70% | 0.699 | S | S | * | * | | | trans | 66.4 | 171.6 | 154.5 | -62 | -0.7 | 0 | 0 | 0 | 115.1 | | |
| 273 | N | 28.6 | Very low | 27.4 | Very low | 126 Ų | 126 | 117.3 Ų | 117.3 | 67% | 0.674 | 70% | 0.703 | S | S | * | * | | | cis | -153.1 | 164.4 | -30.7 | -106.4 | -4.1 | 0 | 0 | 0 | 109.5 | | |
| 274 | T | 27.3 | Very low | 27.5 | Very low | 111 Ų | 111 | 119.2 Ų | 119.2 | 68% | 0.681 | 71% | 0.708 | S | S | * | * | | | trans | 13.8 | 122.9 | 149.5 | 63.4 | 0 | 0 | 0 | 0 | 120.7 | | |
| 275 | S | 24.6 | Very low | 27.6 | Very low | 104 Ų | 104 | 117.3 Ų | 117.3 | 73% | 0.727 | 70% | 0.704 | S | S | * | * | | | trans | 64.7 | 164.8 | 130.2 | 71.6 | 0 | 0 | 0 | 0 | 121.1 | | |
| 276 | V | 26.1 | Very low | 27.7 | Very low | 126 Ų | 126 | 119.3 Ų | 119.3 | 76% | 0.764 | 71% | 0.71 | S | S | * | * | | | trans | 65.6 | 94.4 | 169.7 | -169.7 | 0 | 0 | 0 | 0 | 112.3 | | |
| 277 | S | 24.5 | Very low | 27.8 | Very low | 98 Ų | 98 | 122.1 Ų | 122.1 | 69% | 0.685 | 71% | 0.712 | S | S | * | * | | | | 64.9 | 136 | 79.8 | -178.2 | 0 | 0 | 0 | 0 | 114.3 | | |
| 278 | S | 25.2 | Very low | 27.9 | Very low | 90 Ų | 90 | 125.8 Ų | 125.8 | 63% | 0.629 | 72% | 0.719 | S | S | * | * | | | trans | 58 | 114.1 | 152.4 | 54.8 | 0 | 0 | 0 | 0 | 119.5 | | |
| 279 | C | 25.3 | Very low | 28 | Very low | 111 Ų | 111 | 125.9 Ų | 125.9 | 75% | 0.75 | 72% | 0.715 | S | S | * | * | | | | 88.2 | 135.4 | 124.6 | -71.6 | 0 | 0 | 0 | 0 | 121.9 | | |
| 280 | F | 27.5 | Very low | 28 | Very low | 176 Ų | 176 | 127.5 Ų | 127.5 | 77% | 0.772 | 71% | 0.713 | S | S | * | * | | | trans | 93.7 | 105.8 | 134.4 | -86.6 | -136.6 | 0 | 0 | 0 | 120.8 | | |
| 281 | L | 28.7 | Very low | 28.1 | Very low | 132 Ų | 132 | 129.4 Ų | 129.4 | 69% | 0.691 | 72% | 0.718 | S | S | * | * | | | | 73.4 | 96.1 | 125 | -93.8 | 70.5 | 0 | 0 | 0 | 120.5 | | |
| 282 | S | 27 | Very low | 28.3 | Very low | 81 Ų | 81 | 127.3 Ų | 127.3 | 57% | 0.566 | 72% | 0.718 | S | S | * | * | | | | 99.6 | 147.6 | 96.2 | 74.1 | 0 | 0 | 0 | 0 | 121.3 | | |
| 283 | N | 27.8 | Very low | 28.2 | Very low | 143 Ų | 143 | 130.9 Ų | 130.9 | 77% | 0.765 | 72% | 0.723 | S | S | * | * | | | trans | 68.2 | 155.6 | 159.7 | -55 | -42.7 | 0 | 0 | 0 | 115.1 | | |
| 284 | L | 29.8 | Very low | 28.1 | Very low | 148 Ų | 148 | 131.4 Ų | 131.4 | 78% | 0.775 | 73% | 0.726 | S | S | * | * | | | cis | -144.4 | 106.6 | 7.6 | -166.7 | 67.3 | 0 | 0 | 0 | 107.4 | | |
| 285 | A | 29.7 | Very low | 28.4 | Very low | 79 Ų | 79 | 134 Ų | 134 | 65% | 0.653 | 73% | 0.734 | S | S | * | * | | | | 59.2 | 128.9 | 93.1 | 0 | 0 | 0 | 0 | 0 | 116.7 | | |
| 286 | L | 33.8 | Very low | 28.6 | Very low | 156 Ų | 156 | 136.4 Ų | 136.4 | 82% | 0.817 | 74% | 0.739 | S | S | * | * | | | | 164.1 | 106.9 | 129.2 | -84.5 | 171.2 | 0 | 0 | 0 | 108.8 | | |
| 287 | K | 28 | Very low | 28.6 | Very low | 175 Ų | 175 | 138 Ų | 138 | 76% | 0.761 | 74% | 0.739 | S | S | * | * | | | | 78 | 103.3 | 72.7 | -86.2 | -165.3 | 175.1 | 175.6 | 0 | 115.9 | | |
| 288 | K | 32.6 | Very low | 28.9 | Very low | 190 Ų | 190 | 141 Ų | 141 | 83% | 0.826 | 74% | 0.736 | S | S | * | * | | | | 167.9 | 126.5 | 117.4 | -87.8 | 160.8 | -176.8 | -178.3 | 0 | 107.7 | | |
| 289 | N | 28.3 | Very low | 29.1 | Very low | 121 Ų | 121 | 146 Ų | 146 | 65% | 0.647 | 74% | 0.741 | S | S | * | * | | | | 76.3 | 139.9 | 53.1 | -70.4 | 32.9 | 0 | 0 | 0 | 113.8 | | |
| 290 | H | 31.1 | Very low | 29.6 | Very low | 158 Ų | 158 | 148.5 Ų | 148.5 | 73% | 0.731 | 75% | 0.745 | S | S | * | * | | | trans | 73 | 154 | 162.5 | -59.2 | -49.9 | 0 | 0 | 0 | 116.9 | | |
| 291 | L | 28.8 | Very low | 29.7 | Very low | 157 Ų | 157 | 149 Ų | 149 | 82% | 0.822 | 75% | 0.747 | S | S | * | * | | | cis | -170.3 | 161.4 | -29.8 | -162.1 | 78.9 | 0 | 0 | 0 | 106.4 | | |
| 292 | G | 31.1 | Very low | 29.7 | Very low | 63 Ų | 63 | 151.1 Ų | 151.1 | 65% | 0.649 | 75% | 0.754 | S | S | * | * | | | trans | 106.1 | 122.1 | 176.3 | 0 | 0 | 0 | 0 | 0 | 111 | | |
| 293 | Y | 25.9 | Very low | 30.1 | Very low | 204 Ų | 204 | 154.5 Ų | 154.5 | 80% | 0.8 | 76% | 0.764 | S | S | * | * | | | cis | 75.1 | 123.5 | 35.7 | -74.4 | -86.8 | 0 | 0 | 0 | 116.3 | | |
| 294 | D | 27.7 | Very low | 30.3 | Very low | 136 Ų | 136 | 154.4 Ų | 154.4 | 73% | 0.727 | 76% | 0.763 | S | S | * | * | | | trans | 77.2 | 158.1 | 140 | -62.3 | -20.5 | 0 | 0 | 0 | 122.6 | | |
| 295 | L | 33.2 | Very low | 30.1 | Very low | 165 Ų | 165 | 156.4 Ų | 156.4 | 86% | 0.864 | 77% | 0.766 | S | S | * | * | | | trans | 78.7 | 76.4 | 165.6 | -65 | 154.6 | 0 | 0 | 0 | 116.7 | | |
| 296 | D | 27.8 | Very low | 29.9 | Very low | 155 Ų | 155 | 158 Ų | 158 | 83% | 0.829 | 77% | 0.771 | S | S | * | * | | | | -6.5 | 149.9 | 117.2 | -84.1 | -53.8 | 0 | 0 | 0 | 117.9 | | |
| 297 | E | 27.3 | Very low | 29.8 | Very low | 161 Ų | 161 | 156.5 Ų | 156.5 | 75% | 0.752 | 77% | 0.768 | S | S | * | * | | | trans | 60.7 | 111.7 | 150.5 | -140.6 | -160.5 | -179.4 | 0 | 0 | 118.3 | | |
| 298 | Y | 30.5 | Very low | 29.7 | Very low | 161 Ų | 161 | 152.8 Ų | 152.8 | 63% | 0.631 | 76% | 0.764 | S | S | * | * | | | | -177.3 | 137.4 | 117.4 | -106.7 | -151 | 0 | 0 | 0 | 115.1 | | |
| 299 | R | 30.1 | Very low | 29.6 | Very low | 193 Ų | 193 | 153.5 Ų | 153.5 | 73% | 0.728 | 77% | 0.767 | S | S | * | * | | | trans | 47.1 | 122.2 | 144.7 | -57.7 | 179.3 | -171.2 | -162.1 | 2.3 | 119.4 | | |
| 300 | I | 35.2 | Very low | 29.5 | Very low | 165 Ų | 165 | 156.2 Ų | 156.2 | 85% | 0.846 | 77% | 0.774 | S | S | * | * | | | | -147.8 | 126.1 | 91 | -96.8 | 154 | 0 | 0 | 0 | 109.1 | | |
| 301 | K | 28.8 | Very low | 29.5 | Very low | 187 Ų | 187 | 157.4 Ų | 157.4 | 81% | 0.813 | 78% | 0.779 | S | S | * | * | | | trans | -92.3 | 161.3 | 160.2 | -77.6 | -177.2 | 175.8 | 177 | 0 | 107.5 | | |
| 302 | E | 29 | Very low | 29.5 | Very low | 176 Ų | 176 | 154.7 Ų | 154.7 | 82% | 0.822 | 77% | 0.769 | S | S | * | * | | | trans | 67.6 | 112.6 | 167.6 | -61.3 | 169.5 | 147.5 | 0 | 0 | 115.5 | | |
| 303 | I | 34.5 | Very low | 29.5 | Very low | 152 Ų | 152 | 158.7 Ų | 158.7 | 78% | 0.779 | 78% | 0.776 | S | S | * | * | | | | -163.2 | 123.2 | 122.2 | -98.6 | 153.6 | 0 | 0 | 0 | 107.1 | | |
| 304 | N | 33.4 | Very low | 29.8 | Very low | 140 Ų | 140 | 156.7 Ų | 156.7 | 75% | 0.749 | 78% | 0.778 | S | S | * | * | | | trans | 54.1 | 125.1 | 164.8 | -56.3 | -6.1 | 0 | 0 | 0 | 119 | | |
| 305 | K | 24.9 | Very low | 29.8 | Very low | 191 Ų | 191 | 156.1 Ų | 156.1 | 83% | 0.83 | 78% | 0.78 | S | S | * | * | | | cis | 55.2 | 128.7 | 5 | -153.3 | 176.3 | -177.3 | -175.9 | 0 | 115.4 | | |
| 306 | C | 26.1 | Very low | 29.6 | Very low | 112 Ų | 112 | 152.8 Ų | 152.8 | 76% | 0.757 | 77% | 0.768 | S | S | * | * | | | trans | 71.7 | 142.9 | -158.4 | -51.2 | 0 | 0 | 0 | 0 | 111.3 | | |
| 307 | T | 32.1 | Very low | 29.8 | Very low | 124 Ų | 124 | 151 Ų | 151 | 76% | 0.761 | 76% | 0.759 | S | S | * | * | | | cis | -146.7 | 153.9 | 1.9 | -17.1 | 0 | 0 | 0 | 0 | 110.8 | | |
| 308 | S | 24.8 | Very low | 30 | Very low | 97 Ų | 97 | 153.2 Ų | 153.2 | 68% | 0.678 | 76% | 0.762 | S | S | * | * | | | trans | -63 | 140.4 | 162.4 | 52.7 | 0 | 0 | 0 | 0 | 111.4 | | |
| 309 | F | 31.2 | Very low | 30 | Very low | 205 Ų | 205 | 152.2 Ų | 152.2 | 90% | 0.899 | 77% | 0.766 | S | S | * | * | | | trans | -138.5 | 149.4 | 142.7 | -108.1 | -81.4 | 0 | 0 | 0 | 110 | | |
| 310 | K | 26.9 | Very low | 30 | Very low | 178 Ų | 178 | 149.3 Ų | 149.3 | 77% | 0.774 | 77% | 0.765 | S | S | * | * | | | trans | -112.4 | 147.5 | -178.1 | -56.5 | 174.6 | -179.2 | 178.1 | 0 | 109.2 | | |
| 311 | E | 30.9 | Very low | 29.7 | Very low | 183 Ų | 183 | 148.4 Ų | 148.4 | 86% | 0.855 | 76% | 0.762 | S | S | * | * | | | trans | -154.2 | 99.2 | 140.6 | -105.1 | 159.4 | -174.7 | 0 | 0 | 104.7 | | |
| 312 | T | 28.4 | Very low | 29.9 | Very low | 100 Ų | 100 | 146.9 Ų | 146.9 | 61% | 0.613 | 76% | 0.761 | S | S | * | * | | | | 54.5 | 106.4 | 81 | 65.1 | 0 | 0 | 0 | 0 | 110.7 | | |
| 313 | D | 30.5 | Very low | 29.8 | Very low | 147 Ų | 147 | 147.7 Ų | 147.7 | 79% | 0.786 | 76% | 0.762 | S | S | * | * | | | | -160.8 | 164.7 | 68 | -99.7 | -27.5 | 0 | 0 | 0 | 116.5 | | |
| 314 | L | 32.9 | Very low | 29.3 | Very low | 162 Ų | 162 | 146 Ų | 146 | 85% | 0.848 | 76% | 0.763 | S | S | * | * | | | trans | 65.4 | 72.6 | 156.8 | -65.4 | 164.5 | 0 | 0 | 0 | 119.8 | | |
| 315 | T | 26.4 | Very low | 29 | Very low | 125 Ų | 125 | 143.9 Ų | 143.9 | 77% | 0.767 | 77% | 0.765 | S | S | * | * | | | trans | -73.8 | -175.3 | 135.5 | 55 | 0 | 0 | 0 | 0 | 110.6 | | |
| 316 | P | 30.4 | Very low | 28.9 | Very low | 95 Ų | 95 | 140.3 Ų | 140.3 | 62% | 0.617 | 76% | 0.764 | S | S | * | * | | | cis | -129.4 | -174.4 | -26.4 | 20.9 | 3.3 | 0 | 0 | 0 | 112.5 | | |
| 317 | N | 30.6 | Very low | 28.9 | Very low | 118 Ų | 118 | 142.1 Ų | 142.1 | 63% | 0.631 | 77% | 0.765 | S | S | * | * | | | | 144.5 | 140.4 | 120.5 | -77.2 | -39.8 | 0 | 0 | 0 | 115.9 | | |
| 318 | Y | 31.3 | Very low | 28.6 | Very low | 206 Ų | 206 | 141.8 Ų | 141.8 | 81% | 0.808 | 77% | 0.767 | S | S | * | * | | | trans | 64.8 | 144.7 | 157.3 | -57.9 | -40.5 | 0 | 0 | 0 | 118.4 | | |
| 319 | I | 32.6 | Very low | 28.6 | Very low | 140 Ų | 140 | 143.5 Ų | 143.5 | 72% | 0.718 | 77% | 0.769 | S | S | * | * | | | cis | -148.5 | 155.5 | -6.5 | -124.6 | 160.5 | 0 | 0 | 0 | 110 | | |
| 320 | D | 28.1 | Very low | 28.6 | Very low | 133 Ų | 133 | 142.1 Ų | 142.1 | 71% | 0.711 | 77% | 0.77 | S | S | * | * | | | trans | -71.2 | 170.3 | -179.3 | -50.8 | -94.3 | 0 | 0 | 0 | 115.1 | | |
| 321 | N | 30.3 | Very low | 28.6 | Very low | 145 Ų | 145 | 138.2 Ų | 138.2 | 78% | 0.775 | 77% | 0.765 | S | S | * | * | | | trans | 127.1 | 153.1 | 141.2 | -66.8 | -68.3 | 0 | 0 | 0 | 116.6 | | |
| 322 | I | 32.3 | Very low | 28.3 | Very low | 156 Ų | 156 | 140.6 Ų | 140.6 | 80% | 0.8 | 77% | 0.766 | S | S | * | * | | | trans | 61.9 | 93.2 | 175.4 | -44.2 | 174.7 | 0 | 0 | 0 | 112.4 | | |
| 323 | K | 27.9 | Very low | 28.4 | Very low | 193 Ų | 193 | 141.6 Ų | 141.6 | 84% | 0.839 | 78% | 0.778 | S | S | * | * | | | cis | 59.4 | 104.5 | 25.5 | -129.5 | 177.3 | -169.5 | 175.7 | 0 | 114.8 | | |
| 324 | S | 24 | Very low | 28.1 | Very low | 115 Ų | 115 | 140.5 Ų | 140.5 | 80% | 0.804 | 78% | 0.781 | S | S | * | * | | | trans | 50.2 | 100.5 | 158.3 | 57.2 | 0 | 0 | 0 | 0 | 119.6 | | |
| 325 | A | 26.3 | Very low | 27.9 | Very low | 96 Ų | 96 | 140.8 Ų | 140.8 | 79% | 0.793 | 78% | 0.783 | S | S | * | * | | | trans | -149.6 | 104 | 147.2 | 0 | 0 | 0 | 0 | 0 | 110.8 | | |
| 326 | S | 23.8 | Very low | 27.8 | Very low | 117 Ų | 117 | 144.7 Ų | 144.7 | 82% | 0.818 | 78% | 0.783 | S | S | * | * | | | trans | -85.2 | 124.7 | 161.6 | 52.5 | 0 | 0 | 0 | 0 | 109.1 | | |
| 327 | I | 25.7 | Very low | 27.8 | Very low | 150 Ų | 150 | 148 Ų | 148 | 77% | 0.769 | 79% | 0.794 | S | S | * | * | | | trans | -144.5 | 129.1 | 160.8 | -96.5 | 135 | 0 | 0 | 0 | 109.2 | D329 | I327-D329 HydrophobicContact CG2-CB 4.01Š|
| 328 | S | 24.2 | Very low | 27.8 | Very low | 116 Ų | 116 | 149.7 Ų | 149.7 | 81% | 0.811 | 80% | 0.803 | S | S | * | * | | | trans | -94.3 | 84.8 | 170.7 | 53.7 | 0 | 0 | 0 | 0 | 109.3 | | |
| 329 | D | 26.8 | Very low | 27.5 | Very low | 134 Ų | 134 | 148.1 Ų | 148.1 | 72% | 0.717 | 80% | 0.803 | S | S | * | * | | | trans | -154.1 | 106.3 | 169.6 | -98 | -44.8 | 0 | 0 | 0 | 111.9 | I327 | I327-D329 HydrophobicContact CG2-CB 4.01Š|
| 330 | L | 31 | Very low | 27.5 | Very low | 176 Ų | 176 | 149.4 Ų | 149.4 | 92% | 0.921 | 81% | 0.812 | S | S | * | * | | | | -167 | 109.8 | 127.9 | -129.9 | 70.9 | 0 | 0 | 0 | 109.6 | | |
| 331 | S | 25.5 | Very low | 27.4 | Very low | 95 Ų | 95 | 150.5 Ų | 150.5 | 66% | 0.664 | 82% | 0.816 | S | S | * | * | | | trans | -111.5 | 159.1 | 164.4 | 66.1 | 0 | 0 | 0 | 0 | 109.4 | | |
| 332 | R | 26.3 | Very low | 27.4 | Very low | 233 Ų | 233 | 151.6 Ų | 151.6 | 88% | 0.879 | 82% | 0.82 | S | S | * | * | | | trans | 79.6 | 169.2 | -178.9 | -49.8 | 172.7 | 170.9 | -175.3 | -4.4 | 115.4 | | |
| 333 | S | 29 | Very low | 27.4 | Very low | 122 Ų | 122 | 150.6 Ų | 150.6 | 85% | 0.853 | 82% | 0.816 | S | S | * | * | | | trans | 77.6 | 93.7 | 173.6 | -52.2 | 0 | 0 | 0 | 0 | 117.2 | | |
| 334 | S | 24.2 | Very low | 27.5 | Very low | 123 Ų | 123 | 148.1 Ų | 148.1 | 86% | 0.86 | 81% | 0.812 | S | S | * | * | | | trans | -61.9 | 137.4 | 166 | -44.8 | 0 | 0 | 0 | 0 | 112.5 | | |
| 335 | L | 29.8 | Very low | 28 | Very low | 169 Ų | 169 | 150 Ų | 150 | 89% | 0.885 | 81% | 0.813 | S | S | * | * | | | trans | -153.8 | 134.7 | 158.5 | -124.8 | 147.9 | 0 | 0 | 0 | 111.9 | | |
| 336 | R | 24.6 | Very low | 28.1 | Very low | 206 Ų | 206 | 153.4 Ų | 153.4 | 78% | 0.777 | 82% | 0.818 | S | S | * | * | | | trans | -91.1 | 133.4 | 178.1 | -61.8 | 171.5 | 173.2 | 174.3 | -3 | 110.2 | D1522 | R336-D1522 IonicContact NH2-OD2 3.33Š|
| 337 | I | 30.3 | Very low | 28.5 | Very low | 164 Ų | 164 | 156.2 Ų | 156.2 | 84% | 0.841 | 82% | 0.815 | S | S | * | * | | | trans | -136.9 | 143.3 | 153.9 | -59.9 | -172.9 | 0 | 0 | 0 | 108.9 | | |
| 338 | N | 30.1 | Very low | 28.6 | Very low | 154 Ų | 154 | 155.3 Ų | 155.3 | 82% | 0.824 | 82% | 0.819 | S | S | * | * | | | trans | -73.4 | 160.5 | -175.4 | -71.4 | -37 | 0 | 0 | 0 | 113.8 | | |
| 339 | H | 24.8 | Very low | 28.9 | Very low | 174 Ų | 174 | 156.2 Ų | 156.2 | 81% | 0.806 | 81% | 0.813 | S | S | * | * | | | trans | -57.1 | 145 | 164.1 | -58.2 | -85.8 | 0 | 0 | 0 | 112.1 | | |
| 340 | N | 32.1 | Very low | 28.9 | Very low | 167 Ų | 167 | 159.1 Ų | 159.1 | 89% | 0.893 | 82% | 0.82 | S | S | * | * | | | trans | -152.4 | 143.9 | 132.3 | -113.6 | -27.9 | 0 | 0 | 0 | 111.3 | | |
| 341 | I | 26.7 | Very low | 28.8 | Very low | 156 Ų | 156 | 157.7 Ų | 157.7 | 80% | 0.8 | 81% | 0.812 | S | S | * | * | | | trans | -104.5 | 121.8 | -173.7 | -59.9 | 161.5 | 0 | 0 | 0 | 108.3 | | |
| 342 | I | 30.1 | Very low | 29 | Very low | 168 Ų | 168 | 158.8 Ų | 158.8 | 86% | 0.862 | 81% | 0.809 | S | S | * | * | | | trans | -132.3 | 129.4 | 159.7 | -60.3 | -173.9 | 0 | 0 | 0 | 111.8 | | |
| 343 | N | 32.3 | Very low | 29 | Very low | 135 Ų | 135 | 153.9 Ų | 153.9 | 72% | 0.722 | 81% | 0.807 | S | S | * | * | | | trans | -39.6 | 164.3 | 175.5 | -165.6 | 17.1 | 0 | 0 | 0 | 118.5 | N345 | N343-N345 PolarHBondContact O-N 3.46Š|
| 344 | N | 29 | Very low | 29 | Very low | 140 Ų | 140 | 155 Ų | 155 | 75% | 0.749 | 80% | 0.803 | S | S | * | * | S | Bend | trans | -55.8 | 113.6 | 176.5 | -62.7 | -27.4 | 0 | 0 | 0 | 113.6 | | |
| 345 | N | 35.1 | Very low | 29.1 | Very low | 154 Ų | 154 | 156 Ų | 156 | 82% | 0.824 | 80% | 0.798 | S | S | * | * | | | trans | -174.5 | 134.3 | 135.4 | -96.2 | -36 | 0 | 0 | 0 | 109.7 | N343 K347 | N343-N345 PolarHBondContact O-N 3.46Å; N345-K347 PolarHBondContact O-N 3.17Å |
| 346 | N | 29.6 | Very low | 29 | Very low | 168 Ų | 168 | 154.3 Ų | 154.3 | 90% | 0.898 | 79% | 0.79 | S | S | * | * | | | trans | -73.3 | 78.7 | -165.3 | -69.6 | -8.5 | 0 | 0 | 0 | 114.4 | | |
| 347 | K | 31.9 | Very low | 29.1 | Very low | 177 Ų | 177 | 151 Ų | 151 | 77% | 0.77 | 78% | 0.781 | S | S | * | * | | | trans | -139 | 104.9 | 162.2 | -75 | -166.8 | 175 | -177.4 | 0 | 111.6 | N345 I349 | N345-K347 PolarHBondContact O-N 3.17Å; K347-I349 HydrophobicContact CB-CG1 4.41Å; K347-I349 PolarHBondContact O-N 2.83Å |
| 348 | P | 28.2 | Very low | 29 | Very low | 130 Ų | 130 | 149 Ų | 149 | 84% | 0.844 | 78% | 0.782 | S | S | * | * | | | trans | -76.3 | 87.3 | 173.4 | 31.3 | -33.3 | 0 | 0 | 0 | 110.1 | K350 | P348-K350 PolarHBondContact O-N 2.92Š|
| 349 | I | 29 | Very low | 28.8 | Very low | 135 Ų | 135 | 147 Ų | 147 | 69% | 0.692 | 78% | 0.78 | S | S | * | * | | | trans | -74.7 | 99.9 | 177.3 | -54.2 | -176.8 | 0 | 0 | 0 | 109 | K347 I351 | K347-I349 HydrophobicContact CB-CG1 4.41Å; K347-I349 PolarHBondContact O-N 2.83Å; I349-I351 HydrophobicContact CG2-CD1 4.33Å; I349-I351 HydrophobicContact CG2-CG1 3.93Å; I349-I351 PolarHBondContact O-N 3.06Å |
| 350 | K | 27.1 | Very low | 29 | Very low | 196 Ų | 196 | 143.6 Ų | 143.6 | 85% | 0.852 | 78% | 0.776 | S | S | * | * | | | trans | -58 | 121.1 | 162 | -67.7 | 178.8 | 178 | 179 | 0 | 108.7 | P348 | P348-K350 PolarHBondContact O-N 2.92Š|
| 351 | I | 29.2 | Very low | 28.9 | Very low | 146 Ų | 146 | 140.9 Ų | 140.9 | 75% | 0.749 | 77% | 0.77 | S | S | * | * | | | trans | -121.8 | 133.5 | 158.4 | -58 | -173.4 | 0 | 0 | 0 | 107.3 | I349 | I349-I351 HydrophobicContact CG2-CD1 4.33Å; I349-I351 HydrophobicContact CG2-CG1 3.93Å; I349-I351 PolarHBondContact O-N 3.06Å |
| 352 | L | 29.2 | Very low | 29 | Very low | 117 Ų | 117 | 135.4 Ų | 135.4 | 61% | 0.613 | 75% | 0.752 | S | S | * | * | | | trans | -73.4 | 153.2 | -171.6 | -72.6 | 66.4 | 0 | 0 | 0 | 110.9 | L354 | L352-L354 HydrophobicContact CB-CD1 4.22Å; L352-L354 HydrophobicContact CB-CG 4.05Å; L352-L354 PolarHBondContact O-N 3.23Å |
| 353 | P | 26 | Very low | 28.8 | Very low | 130 Ų | 130 | 134.5 Ų | 134.5 | 84% | 0.844 | 75% | 0.747 | S | S | * | * | | | trans | -70.1 | 80.1 | 162.1 | 31.6 | -33.8 | 0 | 0 | 0 | 109.3 | L355 | P353-L355 PolarHBondContact O-N 3.33Š|
| 354 | L | 29.2 | Very low | 28.7 | Very low | 146 Ų | 146 | 134.6 Ų | 134.6 | 76% | 0.764 | 75% | 0.746 | S | S | * | * | | | trans | -87.7 | 108.1 | -178 | -96.2 | 164.2 | 0 | 0 | 0 | 111.6 | L352 | L352-L354 HydrophobicContact CB-CD1 4.22Å; L352-L354 HydrophobicContact CB-CG 4.05Å; L352-L354 PolarHBondContact O-N 3.23Å |
| 355 | L | 27.4 | Very low | 28.6 | Very low | 143 Ų | 143 | 134.7 Ų | 134.7 | 75% | 0.749 | 75% | 0.747 | S | S | * | * | | | trans | -56.6 | 160.2 | 165.8 | -75.1 | 138.3 | 0 | 0 | 0 | 112.8 | P353 | P353-L355 PolarHBondContact O-N 3.33Š|
| 356 | N | 26.8 | Very low | 28.3 | Very low | 134 Ų | 134 | 133.1 Ų | 133.1 | 72% | 0.717 | 74% | 0.743 | S | S | * | * | | | trans | 85.8 | 145.5 | 136.9 | -90.8 | -28.8 | 0 | 0 | 0 | 122.1 | | |
| 357 | K | 27.6 | Very low | 28.1 | Very low | 137 Ų | 137 | 132.2 Ų | 132.2 | 60% | 0.596 | 73% | 0.733 | S | S | * | * | | | trans | 71.1 | 89.5 | 148.3 | -70.5 | 171 | -177.5 | -171.9 | 0 | 118.9 | | |
| 358 | S | 27 | Very low | 28 | Very low | 123 Ų | 123 | 128.7 Ų | 128.7 | 86% | 0.86 | 72% | 0.722 | S | S | * | * | S | Bend | | -122.2 | 133.9 | 99.6 | -65.6 | 0 | 0 | 0 | 0 | 107.4 | | |
| 359 | S | 27.2 | Very low | 28 | Very low | 110 Ų | 110 | 128.8 Ų | 128.8 | 77% | 0.769 | 72% | 0.716 | S | S | * | * | S | Bend | cis | -136.8 | 163.1 | 21.3 | -60.8 | 0 | 0 | 0 | 0 | 113.6 | | |
| 360 | S | 27.8 | Very low | 27.9 | Very low | 103 Ų | 103 | 129.4 Ų | 129.4 | 72% | 0.72 | 72% | 0.721 | S | S | * | * | | | trans | 75.9 | 161.9 | 164.2 | -149.3 | 0 | 0 | 0 | 0 | 119.8 | | |
| 361 | S | 30 | Very low | 28 | Very low | 111 Ų | 111 | 125.3 Ų | 125.3 | 78% | 0.776 | 71% | 0.714 | S | S | * | * | | | trans | -40.2 | 148.1 | 168.8 | -167.1 | 0 | 0 | 0 | 0 | 113.5 | | |
| 362 | G | 29 | Very low | 27.7 | Very low | 41 Ų | 41 | 122.9 Ų | 122.9 | 42% | 0.423 | 71% | 0.71 | S | S | . | * | | | cis | 144.4 | 148 | 4.5 | 0 | 0 | 0 | 0 | 0 | 110.4 | | |
| 363 | I | 27.4 | Very low | 27.7 | Very low | 148 Ų | 148 | 124.5 Ų | 124.5 | 76% | 0.759 | 72% | 0.717 | S | S | * | * | | | trans | 63 | 112.7 | 151.5 | -59.5 | 176.5 | 0 | 0 | 0 | 118.3 | | |
| 364 | I | 29.9 | Very low | 27.8 | Very low | 138 Ų | 138 | 124.2 Ų | 124.2 | 71% | 0.708 | 71% | 0.714 | S | S | * | * | | | trans | 76.9 | 108.5 | 149.4 | -65.2 | 170.8 | 0 | 0 | 0 | 120.3 | | |
| 365 | N | 25.5 | Very low | 27.8 | Very low | 142 Ų | 142 | 122.4 Ų | 122.4 | 76% | 0.759 | 71% | 0.711 | S | S | * | * | | | trans | 56.2 | 172.5 | 130.7 | -56.1 | -2.6 | 0 | 0 | 0 | 124.2 | | |
| 366 | T | 29.6 | Very low | 27.9 | Very low | 121 Ų | 121 | 123 Ų | 123 | 74% | 0.742 | 72% | 0.715 | S | S | * | * | | | trans | 72.6 | 90.8 | 157.2 | 36.3 | 0 | 0 | 0 | 0 | 120.3 | | |
| 367 | Q | 26.3 | Very low | 27.9 | Very low | 149 Ų | 149 | 122.3 Ų | 122.3 | 70% | 0.696 | 71% | 0.707 | S | S | * | * | | | | 68.4 | 148.3 | 105.5 | -88.8 | -165.6 | 41 | 0 | 0 | 122.9 | | |
| 368 | L | 28.4 | Very low | 28.2 | Very low | 102 Ų | 102 | 123.8 Ų | 123.8 | 53% | 0.534 | 72% | 0.719 | S | S | . | * | | | trans | 77.7 | 102.1 | 152.3 | -67.2 | 162.2 | 0 | 0 | 0 | 120.8 | | |
| 369 | N | 29.7 | Very low | 28.2 | Very low | 132 Ų | 132 | 124 Ų | 124 | 71% | 0.706 | 71% | 0.711 | S | S | * | * | | | | 63.1 | 117.3 | 121.6 | -59.1 | 8.1 | 0 | 0 | 0 | 122.3 | | |
| 370 | D | 25.6 | Very low | 28.4 | Very low | 149 Ų | 149 | 126.2 Ų | 126.2 | 80% | 0.797 | 71% | 0.714 | S | S | * | * | | | | -6.1 | 146.8 | 121.3 | -84.6 | -49.5 | 0 | 0 | 0 | 117.3 | | |
| 371 | P | 30.1 | Very low | 28.6 | Very low | 110 Ų | 110 | 132.8 Ų | 132.8 | 71% | 0.714 | 73% | 0.725 | S | S | * | * | | | | -151.6 | 163.8 | 56.7 | 43 | -23.8 | 0 | 0 | 0 | 119.7 | | |
| 372 | S | 23 | Very low | 28.7 | Very low | 95 Ų | 95 | 136.3 Ų | 136.3 | 66% | 0.664 | 73% | 0.729 | S | S | * | * | | | trans | 21.8 | 136.1 | 145.6 | 68.5 | 0 | 0 | 0 | 0 | 121.7 | | |
| 373 | I | 27.9 | Very low | 28.6 | Very low | 150 Ų | 150 | 139.9 Ų | 139.9 | 77% | 0.769 | 75% | 0.745 | S | S | * | * | | | | -171.1 | 138.8 | 113.4 | -101 | 157.6 | 0 | 0 | 0 | 112.6 | | |
| 374 | T | 27.9 | Very low | 28.5 | Very low | 125 Ų | 125 | 137.3 Ų | 137.3 | 77% | 0.767 | 74% | 0.74 | S | S | * | * | | | trans | 49.5 | 128.9 | 167.9 | 48.8 | 0 | 0 | 0 | 0 | 121.6 | | |
| 375 | P | 29.5 | Very low | 28.2 | Very low | 108 Ų | 108 | 139.5 Ų | 139.5 | 70% | 0.701 | 75% | 0.745 | S | S | * | * | | | trans | -88.4 | 165.6 | 161.6 | 38.6 | -33.8 | 0 | 0 | 0 | 111.8 | | |
| 376 | D | 29.8 | Very low | 28.3 | Very low | 155 Ų | 155 | 140.3 Ų | 140.3 | 83% | 0.829 | 75% | 0.747 | S | S | * | * | | | trans | -150.3 | 161.6 | 156.9 | -140.3 | -31.5 | 0 | 0 | 0 | 112.2 | | |
| 377 | H | 27.8 | Very low | 28.1 | Very low | 119 Ų | 119 | 138.4 Ų | 138.4 | 55% | 0.551 | 74% | 0.736 | S | S | * | * | | | trans | -82 | 158.4 | -170.3 | -81.1 | -100.9 | 0 | 0 | 0 | 114.5 | | |
| 378 | I | 33.5 | Very low | 28 | Very low | 168 Ų | 168 | 139 Ų | 139 | 86% | 0.862 | 74% | 0.742 | S | S | * | * | | | | -162.7 | 138.3 | 123.5 | -100.5 | 151.3 | 0 | 0 | 0 | 110.6 | | |
| 379 | N | 27.1 | Very low | 27.9 | Very low | 129 Ų | 129 | 141.3 Ų | 141.3 | 69% | 0.69 | 75% | 0.753 | S | S | * | * | | | trans | -86.7 | 147.7 | -175.3 | -59.8 | -59.7 | 0 | 0 | 0 | 112.4 | | |
| 380 | N | 31.5 | Very low | 27.6 | Very low | 155 Ų | 155 | 144.2 Ų | 144.2 | 83% | 0.829 | 75% | 0.754 | S | S | * | * | | | trans | -174.3 | 97.5 | 145.6 | -100.5 | -38.3 | 0 | 0 | 0 | 112.5 | | |
| 381 | Y | 31 | Very low | 27.6 | Very low | 242 Ų | 242 | 143.7 Ų | 143.7 | 95% | 0.949 | 75% | 0.747 | S | S | * | * | | | trans | -142.8 | 140.7 | 154.1 | -104.9 | -78.7 | 0 | 0 | 0 | 110.5 | | |
| 382 | Q | 31.5 | Very low | 27.4 | Very low | 184 Ų | 184 | 143.6 Ų | 143.6 | 86% | 0.86 | 74% | 0.74 | S | S | * | * | | | trans | -84.8 | 147.9 | -159.8 | -69 | 179 | -37.3 | 0 | 0 | 114.2 | | |
| 383 | P | 28.3 | Very low | 27.7 | Very low | 116 Ų | 116 | 145 Ų | 145 | 75% | 0.753 | 74% | 0.741 | S | S | * | * | | | trans | -79.7 | 162.8 | 178.5 | 33.7 | -36.9 | 0 | 0 | 0 | 113.5 | K385 | P383-K385 PolarHBondContact O-N 3.03Š|
| 384 | S | 24 | Very low | 27.6 | Very low | 94 Ų | 94 | 144 Ų | 144 | 66% | 0.657 | 74% | 0.736 | S | S | * | * | | | trans | -49.5 | 113 | 172.7 | -60 | 0 | 0 | 0 | 0 | 113.3 | I386 | S384-I386 PolarHBondContact O-N 3.43Š|
| 385 | K | 25 | Very low | 27.8 | Very low | 185 Ų | 185 | 145.7 Ų | 145.7 | 80% | 0.804 | 74% | 0.741 | S | S | * | * | | | trans | -97.4 | 63.9 | 179.1 | -161.6 | 174.8 | -177 | 177.9 | 0 | 112.9 | P383 T387 | P383-K385 PolarHBondContact O-N 3.03Å; K385-T387 PolarHBondContact O-N 3Å |
| 386 | I | 26 | Very low | 27.6 | Very low | 158 Ų | 158 | 148.2 Ų | 148.2 | 81% | 0.81 | 75% | 0.749 | S | S | * | * | | | trans | -83.5 | 93.1 | 159 | -63.8 | -176.7 | 0 | 0 | 0 | 107.4 | S384 I388 | S384-I386 PolarHBondContact O-N 3.43Å; I386-I388 PolarHBondContact O-N 3.49Å |
| 387 | T | 26.5 | Very low | 27.6 | Very low | 82 Ų | 82 | 148.8 Ų | 148.8 | 50% | 0.503 | 75% | 0.75 | S | S | . | * | | | trans | -71.5 | 108.4 | -176.8 | -71.2 | 0 | 0 | 0 | 0 | 111.4 | K385 I389 | K385-T387 PolarHBondContact O-N 3Å; T387-I389 HydrophobicContact CG2-CB 4.5Å; T387-I389 HydrophobicContact CG2-CD1 3.53Å; T387-I389 HydrophobicContact CG2-CG1 3.58Å; T387-I389 PolarHBondContact O-N 2.88Å |
| 388 | I | 23.2 | Very low | 27.5 | Very low | 162 Ų | 162 | 152.2 Ų | 152.2 | 83% | 0.831 | 76% | 0.763 | S | S | * | * | | | trans | -72.4 | 103 | 164.4 | -58.6 | 173.8 | 0 | 0 | 0 | 108.1 | I386 | I386-I388 PolarHBondContact O-N 3.49Š|
| 389 | I | 27.6 | Very low | 27 | Very low | 149 Ų | 149 | 152.4 Ų | 152.4 | 76% | 0.764 | 76% | 0.763 | S | S | * | * | | | trans | -104.4 | 100 | 164.9 | -80 | 164.7 | 0 | 0 | 0 | 109.2 | T387 | T387-I389 HydrophobicContact CG2-CB 4.5Å; T387-I389 HydrophobicContact CG2-CD1 3.53Å; T387-I389 HydrophobicContact CG2-CG1 3.58Å; T387-I389 PolarHBondContact O-N 2.88Å |
| 390 | R | 23.7 | Very low | 27.1 | Very low | 194 Ų | 194 | 153.4 Ų | 153.4 | 73% | 0.732 | 77% | 0.768 | S | S | * | * | | | trans | -51.7 | 138.5 | 150.6 | -172.3 | -153.5 | -67.1 | 163.5 | -3.9 | 108.1 | | |
| 391 | E | 25.2 | Very low | 27 | Very low | 138 Ų | 138 | 151.4 Ų | 151.4 | 65% | 0.645 | 77% | 0.766 | S | S | * | * | | | | 175.8 | 125 | 111.4 | -91.3 | -163.3 | -166.3 | 0 | 0 | 117.1 | | |
| 392 | N | 25.8 | Very low | 26.8 | Very low | 108 Ų | 108 | 150 Ų | 150 | 58% | 0.578 | 76% | 0.76 | S | S | * | * | | | | 68.2 | 137.3 | 124.6 | -68.3 | -19 | 0 | 0 | 0 | 124 | | |
| 393 | N | 28.1 | Very low | 26.8 | Very low | 125 Ų | 125 | 147 Ų | 147 | 67% | 0.668 | 76% | 0.757 | S | S | * | * | | | trans | 82.3 | 103.1 | 141.4 | -64.9 | -13 | 0 | 0 | 0 | 120.4 | | |
| 394 | N | 26.9 | Very low | 26.8 | Very low | 127 Ų | 127 | 151.2 Ų | 151.2 | 68% | 0.679 | 76% | 0.763 | S | S | * | * | | | | 68.6 | 109.1 | 128.5 | -55.1 | -22.7 | 0 | 0 | 0 | 118.2 | | |
| 395 | N | 31.5 | Very low | 27 | Very low | 161 Ų | 161 | 154.2 Ų | 154.2 | 86% | 0.861 | 77% | 0.771 | S | S | * | * | | | | -157 | 139.2 | 102.4 | -100.7 | -49.9 | 0 | 0 | 0 | 113.3 | I397 | N395-I397 PolarHBondContact O-N 2.9Š|
| 396 | N | 25 | Very low | 27.2 | Very low | 162 Ų | 162 | 151.4 Ų | 151.4 | 87% | 0.866 | 77% | 0.772 | S | S | * | * | | | trans | -83.4 | 107.4 | -176 | -75.7 | -55.5 | 0 | 0 | 0 | 111.9 | | |
| 397 | I | 29.9 | Very low | 27.2 | Very low | 166 Ų | 166 | 151.1 Ų | 151.1 | 85% | 0.851 | 77% | 0.77 | S | S | * | * | | | trans | -127.1 | 110.6 | 163.3 | -57 | -174.7 | 0 | 0 | 0 | 111.6 | N395 | N395-I397 PolarHBondContact O-N 2.9Š|
| 398 | K | 27.3 | Very low | 27.3 | Very low | 192 Ų | 192 | 153 Ų | 153 | 84% | 0.835 | 78% | 0.782 | S | S | * | * | | | trans | -24.8 | 134.4 | 175.9 | -64.9 | 167.1 | 178.4 | 172.6 | 0 | 117.5 | | |
| 399 | M | 22.2 | Very low | 27.5 | Very low | 172 Ų | 172 | 151 Ų | 151 | 85% | 0.847 | 77% | 0.773 | S | S | * | * | | | trans | -58.7 | 151.7 | 156.8 | -68.5 | -171 | -179.5 | 0 | 0 | 112.2 | | |
| 400 | N | 28.8 | Very low | 27.5 | Very low | 150 Ų | 150 | 154.6 Ų | 154.6 | 80% | 0.802 | 78% | 0.777 | S | S | * | * | | | trans | -155.4 | 149.1 | 155.9 | -103.8 | -35.8 | 0 | 0 | 0 | 111.9 | | |
| 401 | S | 29.6 | Very low | 27.7 | Very low | 112 Ų | 112 | 150.6 Ų | 150.6 | 78% | 0.783 | 78% | 0.779 | S | S | * | * | | | trans | 63.8 | 75.6 | 156.3 | -54.7 | 0 | 0 | 0 | 0 | 120.1 | | |
| 402 | Y | 26.5 | Very low | 28 | Very low | 213 Ų | 213 | 148.1 Ų | 148.1 | 84% | 0.835 | 78% | 0.782 | S | S | * | * | P | Polyproline II helix | trans | -70.2 | 144.7 | 155.3 | -83.8 | -93.7 | 0 | 0 | 0 | 112 | | |
| 403 | P | 31.4 | Very low | 28 | Very low | 121 Ų | 121 | 150.9 Ų | 150.9 | 79% | 0.786 | 80% | 0.796 | S | S | * | * | P | Polyproline II helix | trans | -69.1 | 135.6 | 164.9 | 29.7 | -33.2 | 0 | 0 | 0 | 110.9 | | |
| 404 | K | 28.2 | Very low | 27.9 | Very low | 204 Ų | 204 | 153.9 Ų | 153.9 | 89% | 0.887 | 80% | 0.803 | S | S | * | * | P | Polyproline II helix | trans | -78.5 | 131.8 | -170.9 | -67.2 | 172.1 | 179.2 | 170.6 | 0 | 112.9 | | |
| 405 | L | 28.9 | Very low | 28.1 | Very low | 157 Ų | 157 | 155.2 Ų | 155.2 | 82% | 0.822 | 80% | 0.803 | S | S | * | * | P | Polyproline II helix | trans | -75.5 | 145.6 | 156.2 | -77.4 | 167.2 | 0 | 0 | 0 | 110.5 | I407 | L405-I407 PolarHBondContact O-N 3.09Š|
| 406 | P | 29.5 | Very low | 28 | Very low | 127 Ų | 127 | 152.9 Ų | 152.9 | 83% | 0.825 | 79% | 0.79 | S | S | * | * | | | trans | -73.3 | 112 | 179.1 | -16.8 | 31.7 | 0 | 0 | 0 | 112.7 | | |
| 407 | I | 25.4 | Very low | 28 | Very low | 151 Ų | 151 | 149 Ų | 149 | 77% | 0.774 | 78% | 0.78 | S | S | * | * | | | trans | -93.5 | 127.2 | 171 | -64.2 | 168.5 | 0 | 0 | 0 | 109.8 | L405 | L405-I407 PolarHBondContact O-N 3.09Š|
| 408 | T | 29 | Very low | 28 | Very low | 123 Ų | 123 | 150.2 Ų | 150.2 | 76% | 0.755 | 78% | 0.782 | S | S | * | * | | | trans | -170 | 141.3 | 153 | 27.9 | 0 | 0 | 0 | 0 | 110.6 | | |
| 409 | N | 27.9 | Very low | 27.8 | Very low | 119 Ų | 119 | 148.1 Ų | 148.1 | 64% | 0.636 | 78% | 0.78 | S | S | * | * | | | cis | -167.7 | 142.8 | -21.9 | -141.4 | -18.1 | 0 | 0 | 0 | 110 | | |
| 410 | R | 27.2 | Very low | 28.1 | Very low | 224 Ų | 224 | 145.3 Ų | 145.3 | 85% | 0.845 | 78% | 0.776 | S | S | * | * | | | trans | 60.6 | 163.5 | 159.5 | -71.3 | 179.2 | 179.6 | -165.9 | -2.1 | 118 | | |
| 411 | S | 27.5 | Very low | 28.1 | Very low | 110 Ų | 110 | 145.3 Ų | 145.3 | 77% | 0.769 | 78% | 0.776 | S | S | * | * | | | cis | -175.3 | 158.6 | -24.8 | 56.1 | 0 | 0 | 0 | 0 | 106.9 | | |
| 412 | A | 30.7 | Very low | 28.2 | Very low | 87 Ų | 87 | 144.4 Ų | 144.4 | 72% | 0.719 | 77% | 0.767 | S | S | * | * | | | cis | -144.3 | 173.1 | 2.8 | 0 | 0 | 0 | 0 | 0 | 107.7 | | |
| 413 | L | 25.8 | Very low | 28.3 | Very low | 165 Ų | 165 | 141.2 Ų | 141.2 | 86% | 0.864 | 77% | 0.765 | S | S | * | * | | | cis | 78.4 | 107.6 | 23 | -128.2 | -177.2 | 0 | 0 | 0 | 116.2 | | |
| 414 | K | 27.8 | Very low | 28.4 | Very low | 188 Ų | 188 | 141.9 Ų | 141.9 | 82% | 0.817 | 76% | 0.757 | S | S | * | * | | | trans | 155 | 148.7 | 161.6 | -92.1 | -169.6 | 175.8 | -171.6 | 0 | 107 | | |
| 415 | K | 29.5 | Very low | 28.4 | Very low | 155 Ų | 155 | 138.4 Ų | 138.4 | 67% | 0.674 | 75% | 0.748 | S | S | * | * | | | cis | -171.6 | 156.8 | -14.7 | -110.6 | -173.1 | 151 | -74 | 0 | 104.2 | | |
| 416 | D | 29.8 | Very low | 28.6 | Very low | 113 Ų | 113 | 135 Ų | 135 | 60% | 0.604 | 73% | 0.73 | S | S | * | * | | | cis | -148 | 170 | -1 | -89.4 | -47.9 | 0 | 0 | 0 | 107.5 | | |
| 417 | A | 26.2 | Very low | 28.6 | Very low | 79 Ų | 79 | 134.9 Ų | 134.9 | 65% | 0.653 | 72% | 0.723 | S | S | * | * | | | cis | 86.7 | 75.9 | 8.9 | 0 | 0 | 0 | 0 | 0 | 119.1 | | |
| 418 | Q | 28.5 | Very low | 28.9 | Very low | 192 Ų | 192 | 133 Ų | 133 | 90% | 0.897 | 72% | 0.721 | S | S | * | * | | | trans | -179.3 | 176.1 | 148.2 | -103.6 | 161.8 | 20 | 0 | 0 | 111.1 | | |
| 419 | L | 24.5 | Very low | 28.8 | Very low | 149 Ų | 149 | 130.5 Ų | 130.5 | 78% | 0.78 | 71% | 0.708 | S | S | * | * | | | | -167.3 | 164.5 | -76 | -145.2 | 75.9 | 0 | 0 | 0 | 108.3 | | |
| 420 | C | 28.1 | Very low | 28.9 | Very low | 113 Ų | 113 | 135 Ų | 135 | 76% | 0.764 | 72% | 0.718 | S | S | * | * | | | trans | 69.5 | 158 | 165.8 | -62.6 | 0 | 0 | 0 | 0 | 118.3 | | |
| 421 | N | 28.7 | Very low | 28.8 | Very low | 150 Ų | 150 | 133.9 Ų | 133.9 | 80% | 0.802 | 72% | 0.719 | S | S | * | * | | | cis | -156.6 | -157.6 | -36.2 | -144.1 | 6.7 | 0 | 0 | 0 | 109.1 | | |
| 422 | P | 32 | Very low | 29 | Very low | 92 Ų | 92 | 131.1 Ų | 131.1 | 60% | 0.597 | 70% | 0.699 | S | S | * | * | | | trans | -128 | 177.2 | -136.2 | 41.8 | -21.1 | 0 | 0 | 0 | 119.3 | | |
| 423 | N | 27.6 | Very low | 28.8 | Very low | 147 Ų | 147 | 132.8 Ų | 132.8 | 79% | 0.786 | 71% | 0.706 | S | S | * | * | | | trans | 63.7 | 116.8 | 153.5 | -65.4 | -7.1 | 0 | 0 | 0 | 122.9 | | |
| 424 | H | 33.9 | Very low | 28.8 | Very low | 134 Ų | 134 | 129.6 Ų | 129.6 | 62% | 0.62 | 69% | 0.689 | S | S | * | * | | | | -171.2 | 159.4 | 118.3 | -116 | -69.3 | 0 | 0 | 0 | 113.7 | S437 | H424-S437 PolarHBondContact O-OG 3.25Š|
| 425 | N | 28.8 | Very low | 28.6 | Very low | 132 Ų | 132 | 126.5 Ų | 126.5 | 71% | 0.706 | 69% | 0.691 | S | S | * | * | | | trans | -111.9 | 149.4 | 174 | -73.1 | -17.7 | 0 | 0 | 0 | 112.2 | P438 | N425-P438 WeakPolarHBondContact O-CA 3.04Š|
| 426 | N | 32.5 | Very low | 28.4 | Very low | 84 Ų | 84 | 126.5 Ų | 126.5 | 45% | 0.449 | 69% | 0.693 | S | S | . | * | | | trans | 172.8 | 157.4 | 132.8 | -86.6 | -5.1 | 0 | 0 | 0 | 112 | Q436 S437 P438 L439 | N426-Q436 CarbonylContact O-C 3.45Å; N426-S437 PolarHBondContact O-N 3.31Å; N426-P438 WeakPolarHBondContact CB-O 3.47Å; N426-P438 PolarHBondContact ND2-O 2.99Å; N426-L439 PolarHBondContact ND2-N 2.91Å |
| 427 | N | 28.8 | Very low | 28.3 | Very low | 125 Ų | 125 | 124.1 Ų | 124.1 | 67% | 0.668 | 69% | 0.686 | S | S | * | * | | | trans | -91.8 | 172.7 | 174.7 | -112.4 | -38.6 | 0 | 0 | 0 | 110.5 | | |
| 428 | P | 32.1 | Very low | 28.4 | Very low | 112 Ų | 112 | 123.8 Ų | 123.8 | 73% | 0.727 | 68% | 0.677 | S | S | * | * | | | cis | -149 | -174.6 | 36.6 | 42.9 | -21.3 | 0 | 0 | 0 | 118.8 | | |
| 429 | S | 27 | Very low | 28.3 | Very low | 70 Ų | 70 | 120.5 Ų | 120.5 | 49% | 0.49 | 67% | 0.665 | S | S | . | * | | | trans | 9.7 | 125.8 | 153.6 | -155.7 | 0 | 0 | 0 | 0 | 118.9 | | |
| 430 | Y | 29.5 | Very low | 28.4 | Very low | 213 Ų | 213 | 118 Ų | 118 | 84% | 0.835 | 66% | 0.659 | S | S | * | * | S | Bend | cis | -151.2 | 158.4 | 36.5 | -75.2 | -104.6 | 0 | 0 | 0 | 110.6 | | |
| 431 | K | 25.8 | Very low | 28.4 | Very low | 202 Ų | 202 | 119.2 Ų | 119.2 | 88% | 0.878 | 66% | 0.658 | S | S | * | * | S | Bend | cis | -84 | 87.6 | -20.6 | -69 | 175.5 | 177.5 | 177.3 | 0 | 106 | S433 | K431-S433 PolarHBondContact O-N 2.69Š|
| 432 | S | 30.9 | Very low | 28.2 | Very low | 51 Ų | 51 | 119.5 Ų | 119.5 | 36% | 0.357 | 66% | 0.658 | S | S | . | * | | | trans | -88.3 | 108.1 | -148.3 | -170.2 | 0 | 0 | 0 | 0 | 114.4 | I434 | S432-I434 PolarHBondContact OG-N 3.02Š|
| 433 | S | 26.7 | Very low | 27.9 | Very low | 122 Ų | 122 | 120 Ų | 120 | 85% | 0.853 | 66% | 0.664 | S | S | * | * | | | trans | -116.2 | 46.3 | 150.8 | 42.8 | 0 | 0 | 0 | 0 | 109 | K431 | K431-S433 PolarHBondContact O-N 2.69Š|
| 434 | I | 25.6 | Very low | 27.8 | Very low | 99 Ų | 99 | 117.8 Ų | 117.8 | 51% | 0.508 | 66% | 0.659 | S | S | . | * | | | trans | -117.2 | 121.9 | -169 | -60.8 | 173.3 | 0 | 0 | 0 | 110 | S432 Q436 | S432-I434 PolarHBondContact OG-N 3.02Å; I434-Q436 HydrophobicContact CG2-CB 4.46Å; I434-Q436 HydrophobicContact CG2-CG 4.37Å |
| 435 | S | 23.6 | Very low | 27.5 | Very low | 122 Ų | 122 | 119.7 Ų | 119.7 | 85% | 0.853 | 67% | 0.668 | S | S | * | * | | | trans | -100.5 | 75 | -178.2 | 46.6 | 0 | 0 | 0 | 0 | 112.7 | | |
| 436 | Q | 25.8 | Very low | 27.7 | Very low | 155 Ų | 155 | 119 Ų | 119 | 72% | 0.724 | 67% | 0.673 | S | S | * | * | | | trans | -147.2 | 119.5 | 177.8 | -64.2 | -172.8 | -10.4 | 0 | 0 | 113.3 | N426 I434 | N426-Q436 CarbonylContact O-C 3.45Å; I434-Q436 HydrophobicContact CG2-CB 4.46Å; I434-Q436 HydrophobicContact CG2-CG 4.37Å |
| 437 | S | 27.3 | Very low | 27.7 | Very low | 64 Ų | 64 | 122 Ų | 122 | 45% | 0.448 | 69% | 0.689 | S | S | . | * | | | trans | 24.6 | 154.5 | 143.7 | -58.2 | 0 | 0 | 0 | 0 | 123 | H424 N426 | H424-S437 PolarHBondContact O-OG 3.25Å; N426-S437 PolarHBondContact O-N 3.31Å |
| 438 | P | 28.4 | Very low | 28 | Very low | 72 Ų | 72 | 121.5 Ų | 121.5 | 47% | 0.468 | 69% | 0.692 | S | S | . | * | | | cis | -141.7 | -169.1 | -13 | 38.8 | -16.3 | 0 | 0 | 0 | 115.6 | N425 N426 | N425-P438 WeakPolarHBondContact O-CA 3.04Å; N426-P438 WeakPolarHBondContact CB-O 3.47Å; N426-P438 PolarHBondContact ND2-O 2.99Å |
| 439 | L | 25.8 | Very low | 28 | Very low | 123 Ų | 123 | 121.9 Ų | 121.9 | 64% | 0.644 | 69% | 0.688 | S | S | * | * | | | trans | 45.1 | 127.4 | 145.1 | -75.9 | 158.9 | 0 | 0 | 0 | 124.7 | N426 | N426-L439 PolarHBondContact ND2-N 2.91Š|
| 440 | S | 26.7 | Very low | 28.1 | Very low | 96 Ų | 96 | 123.3 Ų | 123.3 | 67% | 0.671 | 69% | 0.694 | S | S | * | * | | | trans | 90.8 | 139.3 | 138.4 | 75.4 | 0 | 0 | 0 | 0 | 123.7 | | |
| 441 | N | 28.3 | Very low | 28.1 | Very low | 138 Ų | 138 | 118.8 Ų | 118.8 | 74% | 0.738 | 68% | 0.684 | S | S | * | * | | | trans | 69.5 | 106.6 | 154.9 | -61.5 | -7.3 | 0 | 0 | 0 | 123.5 | | |
| 442 | I | 25.1 | Very low | 28.3 | Very low | 157 Ų | 157 | 115.2 Ų | 115.2 | 81% | 0.805 | 67% | 0.674 | S | S | * | * | | | | 48.5 | 121 | 118.1 | -60.5 | 158.3 | 0 | 0 | 0 | 117 | | |
| 443 | S | 26.5 | Very low | 28.1 | Very low | 101 Ų | 101 | 116.7 Ų | 116.7 | 71% | 0.706 | 69% | 0.685 | S | S | * | * | | | | -162.7 | 173.1 | 59.6 | 50.8 | 0 | 0 | 0 | 0 | 116.1 | | |
| 444 | C | 25.3 | Very low | 28.1 | Very low | 101 Ų | 101 | 117.8 Ų | 117.8 | 68% | 0.682 | 68% | 0.68 | S | S | * | * | | | trans | 18.2 | 147.6 | 142.6 | -59.1 | 0 | 0 | 0 | 0 | 121.7 | | |
| 445 | E | 27.8 | Very low | 28.3 | Very low | 175 Ų | 175 | 119.2 Ų | 119.2 | 82% | 0.818 | 69% | 0.686 | S | S | * | * | | | cis | -157.2 | 147.7 | 0.1 | -105.9 | 150.4 | 155.2 | 0 | 0 | 106.9 | | |
| 446 | S | 33.2 | Very low | 28.3 | Very low | 117 Ų | 117 | 121.3 Ų | 121.3 | 82% | 0.818 | 68% | 0.679 | S | S | * | * | | | | -168.6 | 135.1 | 74.3 | 27.4 | 0 | 0 | 0 | 0 | 112.6 | | |
| 447 | L | 32.5 | Very low | 28.3 | Very low | 148 Ų | 148 | 121.9 Ų | 121.9 | 78% | 0.775 | 68% | 0.68 | S | S | * | * | | | trans | -70.8 | 164.7 | 166.1 | -89.7 | 152.2 | 0 | 0 | 0 | 110.3 | | |
| 448 | P | 34.5 | Very low | 28.2 | Very low | 114 Ų | 114 | 125.4 Ų | 125.4 | 74% | 0.74 | 69% | 0.694 | S | S | * | * | | | cis | -146.7 | 173.1 | 47.1 | 45.3 | -25.5 | 0 | 0 | 0 | 115.4 | | |
| 449 | N | 31.1 | Very low | 28.1 | Very low | 119 Ų | 119 | 126.9 Ų | 126.9 | 64% | 0.636 | 71% | 0.706 | S | S | * | * | | | cis | -161.2 | 148.6 | 0.3 | -128.7 | 4.9 | 0 | 0 | 0 | 112.4 | | |
| 450 | V | 30.8 | Very low | 28 | Very low | 101 Ų | 101 | 128.8 Ų | 128.8 | 61% | 0.612 | 72% | 0.716 | S | S | * | * | | | | 49.2 | 128.4 | 120.4 | 158.7 | 0 | 0 | 0 | 0 | 118.9 | | |
| 451 | N | 29.5 | Very low | 27.9 | Very low | 118 Ų | 118 | 128.8 Ų | 128.8 | 63% | 0.631 | 72% | 0.716 | S | S | * | * | | | cis | -164.5 | 164.6 | 6.1 | -129.8 | -9.4 | 0 | 0 | 0 | 115.8 | | |
| 452 | N | 29 | Very low | 27.7 | Very low | 126 Ų | 126 | 127.7 Ų | 127.7 | 67% | 0.674 | 71% | 0.714 | S | S | * | * | | | trans | 64.7 | 141.9 | 144 | -76.5 | -26.2 | 0 | 0 | 0 | 120.1 | | |
| 453 | S | 27.4 | Very low | 27.7 | Very low | 83 Ų | 83 | 126.6 Ų | 126.6 | 58% | 0.58 | 72% | 0.715 | S | S | * | * | | | cis | 173 | 171.3 | -15.2 | -113.8 | 0 | 0 | 0 | 0 | 107.3 | | |
| 454 | I | 27 | Very low | 27.6 | Very low | 144 Ų | 144 | 128.4 Ų | 128.4 | 74% | 0.738 | 72% | 0.716 | S | S | * | * | | | trans | 67.9 | 138.9 | 148 | -73.9 | 162 | 0 | 0 | 0 | 116.2 | | |
| 455 | M | 28.3 | Very low | 27.7 | Very low | 129 Ų | 129 | 130.5 Ų | 130.5 | 64% | 0.635 | 72% | 0.72 | S | S | * | * | | | cis | -154.4 | 178.9 | -15.3 | -122.5 | -164.9 | -71.8 | 0 | 0 | 110.6 | | |
| 456 | K | 24.1 | Very low | 27.6 | Very low | 166 Ų | 166 | 127.6 Ų | 127.6 | 72% | 0.722 | 71% | 0.709 | S | S | * | * | | | trans | -35 | 155.5 | 150.2 | -50.4 | 156.5 | -178 | 172.2 | 0 | 112.4 | | |
| 457 | F | 26.4 | Very low | 27.4 | Very low | 167 Ų | 167 | 129.3 Ų | 129.3 | 73% | 0.732 | 71% | 0.709 | S | S | * | * | | | | -179.5 | 169.7 | 107 | -104.6 | -72.8 | 0 | 0 | 0 | 113.8 | | |
| 458 | N | 25.3 | Very low | 27.2 | Very low | 138 Ų | 138 | 128.1 Ų | 128.1 | 74% | 0.738 | 70% | 0.704 | S | S | * | * | | | trans | -79.3 | -158.1 | 175.5 | -48.4 | -45 | 0 | 0 | 0 | 111.3 | | |
| 459 | S | 25 | Very low | 27 | Very low | 103 Ų | 103 | 129.2 Ų | 129.2 | 72% | 0.72 | 70% | 0.703 | S | S | * | * | | | trans | 85.3 | 128.5 | 172.3 | -43.8 | 0 | 0 | 0 | 0 | 112.9 | | |
| 460 | L | 24.8 | Very low | 27.2 | Very low | 164 Ų | 164 | 129.1 Ų | 129.1 | 86% | 0.859 | 70% | 0.703 | S | S | * | * | | | cis | 65.5 | 124.6 | 44.3 | -72.3 | 92.9 | 0 | 0 | 0 | 115.1 | | |
| 461 | S | 23.4 | Very low | 27.4 | Very low | 95 Ų | 95 | 130 Ų | 130 | 66% | 0.664 | 70% | 0.704 | S | S | * | * | | | trans | 70.4 | 117.4 | 137.3 | -154.7 | 0 | 0 | 0 | 0 | 120.4 | | |
| 462 | T | 23.8 | Very low | 27.6 | Very low | 116 Ų | 116 | 130 Ų | 130 | 71% | 0.712 | 70% | 0.704 | S | S | * | * | | | trans | 68.2 | 163.6 | 136.7 | 51.2 | 0 | 0 | 0 | 0 | 120.7 | | |
| 463 | T | 26.5 | Very low | 27.9 | Very low | 133 Ų | 133 | 131.7 Ų | 131.7 | 82% | 0.816 | 71% | 0.706 | S | S | * | * | | | trans | 68.1 | 127 | 179.3 | 65.4 | 0 | 0 | 0 | 0 | 114.9 | | |
| 464 | L | 24 | Very low | 28.1 | Very low | 139 Ų | 139 | 133.3 Ų | 133.3 | 73% | 0.728 | 71% | 0.707 | S | S | * | * | | | cis | 85.3 | 76.8 | 22.2 | -151.2 | 176 | 0 | 0 | 0 | 114.6 | I466 | L464-I466 HydrophobicContact CD2-CD1 3.98Š|
| 465 | N | 27.1 | Very low | 28.1 | Very low | 145 Ų | 145 | 133.7 Ų | 133.7 | 78% | 0.775 | 71% | 0.706 | S | S | * | * | | | trans | -164.4 | 129.6 | 144.4 | -99.8 | -23.6 | 0 | 0 | 0 | 105.7 | | |
| 466 | I | 25.3 | Very low | 28.1 | Very low | 115 Ų | 115 | 134.5 Ų | 134.5 | 59% | 0.59 | 71% | 0.713 | S | S | * | * | | | cis | 71.2 | 87.3 | 47.2 | -51.8 | 173.8 | 0 | 0 | 0 | 112.8 | L464 | L464-I466 HydrophobicContact CD2-CD1 3.98Š|
| 467 | N | 30.3 | Very low | 28.3 | Very low | 152 Ų | 152 | 133.2 Ų | 133.2 | 81% | 0.813 | 71% | 0.713 | S | S | * | * | | | | -163.7 | 110.3 | 125.2 | -97 | -23.5 | 0 | 0 | 0 | 106.8 | | |
| 468 | N | 26.7 | Very low | 28.5 | Very low | 123 Ų | 123 | 131.4 Ų | 131.4 | 66% | 0.658 | 71% | 0.71 | S | S | * | * | | | | 48.9 | 100.1 | 70.4 | -75 | -6.4 | 0 | 0 | 0 | 113.7 | | |
| 469 | N | 32.2 | Very low | 28.6 | Very low | 137 Ų | 137 | 132 Ų | 132 | 73% | 0.733 | 71% | 0.713 | S | S | * | * | | | | -158.8 | 113.4 | 104.3 | -96.5 | -29.3 | 0 | 0 | 0 | 111.8 | | |
| 470 | N | 33.9 | Very low | 29.2 | Very low | 118 Ų | 118 | 132 Ų | 132 | 63% | 0.631 | 71% | 0.711 | S | S | * | * | | | | 66.3 | 133.9 | 129.9 | -53.8 | -15.3 | 0 | 0 | 0 | 119 | | |
| 471 | N | 34.3 | Very low | 29.3 | Very low | 119 Ų | 119 | 130.5 Ų | 130.5 | 64% | 0.636 | 70% | 0.704 | S | S | * | * | | | cis | -158.3 | 138 | 10.6 | -117.5 | -21.5 | 0 | 0 | 0 | 112 | | |
| 472 | N | 34.7 | Very low | 29.7 | Very low | 119 Ų | 119 | 134.7 Ų | 134.7 | 64% | 0.636 | 71% | 0.713 | S | S | * | * | | | trans | 59.4 | 140.4 | 145.4 | -59.5 | -39.8 | 0 | 0 | 0 | 120 | | |
| 473 | K | 34.8 | Very low | 30 | Very low | 161 Ų | 161 | 132.3 Ų | 132.3 | 70% | 0.7 | 71% | 0.711 | S | S | * | * | | | cis | -161.6 | 150 | -1.9 | -120.5 | 168.4 | -173.3 | 178.8 | 0 | 110.9 | | |
| 474 | N | 31.5 | Very low | 30.1 | Very low | 116 Ų | 116 | 133.7 Ų | 133.7 | 62% | 0.62 | 71% | 0.712 | S | S | * | * | | | trans | 56.3 | 110.5 | 144 | -68.2 | 17.4 | 0 | 0 | 0 | 118.9 | | |
| 475 | Q | 28.6 | Very low | 30.4 | Very low | 153 Ų | 153 | 134.1 Ų | 134.1 | 72% | 0.715 | 71% | 0.71 | S | S | * | * | | | | 83.6 | 115.6 | 81 | -78.9 | 169.2 | -16.9 | 0 | 0 | 112.1 | | |
| 476 | L | 26.3 | Very low | 30.6 | Very low | 146 Ų | 146 | 132.8 Ų | 132.8 | 76% | 0.764 | 70% | 0.703 | S | S | * | * | | | | 66.6 | 100.3 | 87.2 | -98 | 167.3 | 0 | 0 | 0 | 112.9 | | |
| 477 | N | 30.3 | Very low | 30.8 | Very low | 138 Ų | 138 | 132.6 Ų | 132.6 | 74% | 0.738 | 70% | 0.703 | S | S | * | * | | | trans | -179.3 | 126.6 | 132.8 | -88.2 | -5.4 | 0 | 0 | 0 | 107.3 | | |
| 478 | I | 30.1 | Very low | 30.8 | Very low | 129 Ų | 129 | 132.1 Ų | 132.1 | 66% | 0.662 | 70% | 0.696 | S | S | * | * | | | | 91.8 | 121.7 | 62.9 | -76.5 | 177.3 | 0 | 0 | 0 | 111.5 | | |
| 479 | D | 27.4 | Very low | 30.9 | Very low | 150 Ų | 150 | 131 Ų | 131 | 80% | 0.802 | 69% | 0.69 | S | S | * | * | | | trans | 71.2 | 158.6 | 159.4 | -68.9 | -7.1 | 0 | 0 | 0 | 121.6 | | |
| 480 | P | 36.4 | Very low | 31 | Very low | 104 Ų | 104 | 131.5 Ų | 131.5 | 68% | 0.675 | 69% | 0.688 | S | S | * | * | | | trans | -129 | -148.4 | -146.9 | 46.7 | -31.2 | 0 | 0 | 0 | 113.8 | | |
| 481 | D | 27.6 | Very low | 30.9 | Very low | 133 Ų | 133 | 131.3 Ų | 131.3 | 71% | 0.711 | 69% | 0.687 | S | S | * | * | | | trans | 75.4 | 154.4 | 169.4 | -74.4 | -35.1 | 0 | 0 | 0 | 118.6 | | |
| 482 | H | 32.8 | Very low | 30.5 | Very low | 183 Ų | 183 | 131.2 Ų | 131.2 | 85% | 0.847 | 69% | 0.686 | S | S | * | * | | | trans | 66.3 | 112 | 179.6 | -39.1 | -61.3 | 0 | 0 | 0 | 114.9 | | |
| 483 | G | 28.6 | Very low | 30.3 | Very low | 65 Ų | 65 | 134.2 Ų | 134.2 | 67% | 0.67 | 70% | 0.696 | S | S | * | * | | | cis | 97 | 143 | 6.6 | 0 | 0 | 0 | 0 | 0 | 112.8 | | |
| 484 | L | 29 | Very low | 29.9 | Very low | 162 Ų | 162 | 131.5 Ų | 131.5 | 85% | 0.848 | 69% | 0.688 | S | S | * | * | | | trans | 70.6 | 150.3 | -168.3 | -45.8 | 176.7 | 0 | 0 | 0 | 111.9 | | |
| 485 | H | 29.7 | Very low | 29.6 | Very low | 148 Ų | 148 | 130.5 Ų | 130.5 | 69% | 0.685 | 69% | 0.686 | S | S | * | * | | | cis | -145.2 | 163.6 | -1.3 | -114.8 | 179.1 | 0 | 0 | 0 | 106 | | |
| 486 | N | 31.4 | Very low | 29.6 | Very low | 117 Ų | 117 | 134.1 Ų | 134.1 | 63% | 0.626 | 69% | 0.693 | S | S | * | * | | | cis | -164.6 | 140.5 | 40.7 | -115.2 | -21.2 | 0 | 0 | 0 | 109.9 | | |
| 487 | N | 29.6 | Very low | 29.6 | Very low | 112 Ų | 112 | 135.6 Ų | 135.6 | 60% | 0.599 | 69% | 0.694 | S | S | * | * | | | | 54.3 | 141 | 123.9 | -61.4 | -9.1 | 0 | 0 | 0 | 122.4 | | |
| 488 | H | 31.2 | Very low | 29.4 | Very low | 141 Ų | 141 | 135.2 Ų | 135.2 | 65% | 0.653 | 70% | 0.696 | S | S | * | * | | | cis | -158.7 | 153.2 | -3.8 | -130.8 | 39.6 | 0 | 0 | 0 | 111.9 | | |
| 489 | N | 29.2 | Very low | 29.3 | Very low | 101 Ų | 101 | 133.9 Ų | 133.9 | 54% | 0.54 | 70% | 0.696 | S | S | . | * | | | trans | 25 | 133.6 | 136.2 | -70.1 | -22.5 | 0 | 0 | 0 | 120 | | |
| 490 | H | 33.3 | Very low | 29.3 | Very low | 147 Ų | 147 | 133.6 Ų | 133.6 | 68% | 0.681 | 69% | 0.694 | S | S | * | * | | | cis | -152.3 | 146.2 | 48.4 | -96.8 | -61.3 | 0 | 0 | 0 | 117.2 | | |
| 491 | N | 31.3 | Very low | 29 | Very low | 114 Ų | 114 | 133.2 Ų | 133.2 | 61% | 0.61 | 69% | 0.69 | S | S | * | * | | | trans | 48.8 | 116.5 | 139.1 | -54.6 | -3.4 | 0 | 0 | 0 | 120.2 | | |
| 492 | N | 27.8 | Very low | 28.9 | Very low | 116 Ų | 116 | 137 Ų | 137 | 62% | 0.62 | 70% | 0.7 | S | S | * | * | | | | 72.4 | 101.2 | 53 | -62.4 | -39 | 0 | 0 | 0 | 115.2 | I494 | N492-I494 HydrophobicContact CB-CD1 3.83Å; N492-I494 HydrophobicContact CB-CG1 4.49Å |
| 493 | H | 29.1 | Very low | 28.7 | Very low | 182 Ų | 182 | 136 Ų | 136 | 84% | 0.843 | 70% | 0.696 | S | S | * | * | | | | -167.3 | 110.4 | 121.7 | -106.2 | -77.1 | 0 | 0 | 0 | 107.8 | | |
| 494 | I | 26.6 | Very low | 28.7 | Very low | 105 Ų | 105 | 142 Ų | 142 | 54% | 0.538 | 71% | 0.706 | S | S | . | * | | | cis | 88 | 114.7 | 41.1 | -59 | 171.6 | 0 | 0 | 0 | 112.8 | N492 | N492-I494 HydrophobicContact CB-CD1 3.83Å; N492-I494 HydrophobicContact CB-CG1 4.49Å |
| 495 | T | 26.3 | Very low | 28.6 | Very low | 95 Ų | 95 | 144.6 Ų | 144.6 | 58% | 0.583 | 71% | 0.706 | S | S | * | * | | | trans | 69.8 | 156.6 | 161.9 | 55.8 | 0 | 0 | 0 | 0 | 119.1 | | |
| 496 | W | 27.7 | Very low | 28.7 | Very low | 229 Ų | 229 | 145.3 Ų | 145.3 | 87% | 0.867 | 72% | 0.715 | S | S | * | * | | | cis | -127.9 | 156.7 | 12.8 | -83.1 | 95.8 | 0 | 0 | 0 | 115.4 | | |
| 497 | K | 26.2 | Very low | 28.6 | Very low | 177 Ų | 177 | 143.9 Ų | 143.9 | 77% | 0.77 | 72% | 0.715 | S | S | * | * | | | trans | -71.5 | 151.9 | 158.9 | -55.9 | 172 | 179 | 177.3 | 0 | 110 | | |
| 498 | V | 26.8 | Very low | 28.6 | Very low | 129 Ų | 129 | 145.6 Ų | 145.6 | 78% | 0.782 | 72% | 0.724 | S | S | * | * | | | | -156.1 | 112.7 | 110.9 | 173.8 | 0 | 0 | 0 | 0 | 108.2 | D500 | V498-D500 HydrophobicContact CG1-CB 4.42Š|
| 499 | P | 27.5 | Very low | 28.6 | Very low | 102 Ų | 102 | 147.4 Ų | 147.4 | 66% | 0.662 | 73% | 0.733 | S | S | * | * | | | trans | -84.6 | 138.3 | 149.1 | 34.6 | -28.5 | 0 | 0 | 0 | 109.3 | | |
| 500 | D | 27.2 | Very low | 28.7 | Very low | 144 Ų | 144 | 151.6 Ų | 151.6 | 77% | 0.77 | 75% | 0.746 | S | S | * | * | | | trans | 173.7 | 152.5 | 159.6 | -88.6 | -24.9 | 0 | 0 | 0 | 108.1 | V498 | V498-D500 HydrophobicContact CG1-CB 4.42Š|
| 501 | T | 30.3 | Very low | 28.5 | Very low | 95 Ų | 95 | 151.2 Ų | 151.2 | 58% | 0.583 | 75% | 0.748 | S | S | * | * | | | cis | -142.5 | 157.2 | -11.3 | 3.7 | 0 | 0 | 0 | 0 | 108.9 | E503 | T501-E503 HydrophobicContact CG2-CG 4.23Š|
| 502 | K | 26 | Very low | 28.5 | Very low | 212 Ų | 212 | 153.9 Ų | 153.9 | 92% | 0.922 | 76% | 0.757 | S | S | * | * | | | trans | -92.7 | 101.5 | 150.8 | -81.7 | -174.2 | 177.4 | -178.8 | 0 | 107.9 | | |
| 503 | E | 28.1 | Very low | 28.6 | Very low | 164 Ų | 164 | 154 Ų | 154 | 77% | 0.766 | 76% | 0.762 | S | S | * | * | | | trans | -112.2 | 90.9 | 166.8 | -79.9 | -179.5 | -166.2 | 0 | 0 | 109.8 | T501 | T501-E503 HydrophobicContact CG2-CG 4.23Š|
| 504 | E | 28.9 | Very low | 28.6 | Very low | 189 Ų | 189 | 151 Ų | 151 | 88% | 0.883 | 75% | 0.752 | S | S | * | * | | | trans | -103.8 | 107.1 | 156 | -171 | 164.1 | -134.7 | 0 | 0 | 107.3 | | |
| 505 | Y | 26.4 | Very low | 28.9 | Very low | 217 Ų | 217 | 153 Ų | 153 | 85% | 0.851 | 76% | 0.758 | S | S | * | * | | | trans | -5.4 | 126.2 | 172.1 | -69.4 | -100.2 | 0 | 0 | 0 | 117.8 | | |
| 506 | N | 32 | Very low | 29.1 | Very low | 163 Ų | 163 | 153.4 Ų | 153.4 | 87% | 0.872 | 77% | 0.766 | S | S | * | * | | | trans | -136.8 | 145 | 131.2 | -111 | -50.2 | 0 | 0 | 0 | 110.9 | | |
| 507 | S | 29 | Very low | 29.3 | Very low | 88 Ų | 88 | 148 Ų | 148 | 62% | 0.615 | 76% | 0.758 | S | S | * | * | | | trans | -75.8 | 160 | -175 | 56.8 | 0 | 0 | 0 | 0 | 112.5 | | |
| 508 | N | 30.5 | Very low | 29.5 | Very low | 148 Ų | 148 | 144.1 Ų | 144.1 | 79% | 0.791 | 75% | 0.753 | S | S | * | * | | | | -164.9 | 158.9 | 104.3 | -86.5 | -15.5 | 0 | 0 | 0 | 111.7 | | |
| 509 | E | 31 | Very low | 29.8 | Very low | 179 Ų | 179 | 145.3 Ų | 145.3 | 84% | 0.836 | 75% | 0.75 | S | S | * | * | | | trans | -78.7 | 146.8 | -172 | -55.2 | 149.8 | 106 | 0 | 0 | 112.3 | | |
| 510 | K | 30.9 | Very low | 30.2 | Very low | 188 Ų | 188 | 146.4 Ų | 146.4 | 82% | 0.817 | 75% | 0.75 | S | S | * | * | | | | -166.4 | 121.1 | 115.2 | -110.1 | -166.8 | 171 | -162.4 | 0 | 113.9 | | |
| 511 | L | 29.1 | Very low | 30.5 | Very low | 139 Ų | 139 | 147 Ų | 147 | 73% | 0.728 | 75% | 0.751 | S | S | * | * | | | | 39.3 | 152.6 | 124.4 | -81.8 | 161.4 | 0 | 0 | 0 | 122.9 | | |
| 512 | E | 31.1 | Very low | 30.5 | Very low | 170 Ų | 170 | 149.5 Ų | 149.5 | 79% | 0.794 | 76% | 0.757 | S | S | * | * | | | trans | 80.8 | 118 | 167.9 | -68.6 | 157.7 | 177.1 | 0 | 0 | 116 | | |
| 513 | V | 30.3 | Very low | 30.8 | Very low | 119 Ų | 119 | 147 Ų | 147 | 72% | 0.721 | 75% | 0.749 | S | S | * | * | | | cis | 81 | 126.7 | 38.6 | -176.4 | 0 | 0 | 0 | 0 | 109.2 | | |
| 514 | D | 28.7 | Very low | 30.9 | Very low | 118 Ų | 118 | 144.1 Ų | 144.1 | 63% | 0.631 | 75% | 0.747 | S | S | * | * | | | cis | -156.7 | -175.7 | 24.1 | -140.4 | -31.9 | 0 | 0 | 0 | 115.7 | | |
| 515 | H | 32.1 | Very low | 31 | Very low | 147 Ų | 147 | 141.1 Ų | 141.1 | 68% | 0.681 | 74% | 0.742 | S | S | * | * | | | trans | 61.7 | 111.3 | 142.3 | -73.3 | 5.7 | 0 | 0 | 0 | 119.6 | | |
| 516 | S | 30.6 | Very low | 31.1 | Very low | 105 Ų | 105 | 137.5 Ų | 137.5 | 73% | 0.734 | 74% | 0.737 | S | S | * | * | | | | 117.4 | 162.5 | 86.5 | 68.7 | 0 | 0 | 0 | 0 | 110.5 | | |
| 517 | T | 32.6 | Very low | 30.9 | Very low | 116 Ų | 116 | 134.1 Ų | 134.1 | 71% | 0.712 | 73% | 0.726 | S | S | * | * | | | cis | -153.9 | 162.2 | 1.5 | -23.8 | 0 | 0 | 0 | 0 | 109.9 | | |
| 518 | S | 31.6 | Very low | 31 | Very low | 95 Ų | 95 | 135.3 Ų | 135.3 | 66% | 0.664 | 74% | 0.735 | S | S | * | * | | | trans | 61.9 | 144.9 | 143 | 70.8 | 0 | 0 | 0 | 0 | 120.5 | | |
| 519 | E | 32.9 | Very low | 30.8 | Very low | 154 Ų | 154 | 135.5 Ų | 135.5 | 72% | 0.72 | 74% | 0.735 | S | S | * | * | | | cis | -172.7 | 166.8 | -5.1 | -123.4 | 171.4 | -135.2 | 0 | 0 | 112.4 | | |
| 520 | N | 34.9 | Very low | 30.7 | Very low | 124 Ų | 124 | 133.2 Ų | 133.2 | 66% | 0.663 | 73% | 0.728 | S | S | * | * | | | trans | 63.8 | 149.5 | 157.5 | -56.2 | -33.2 | 0 | 0 | 0 | 118.1 | | |
| 521 | M | 32.9 | Very low | 30.6 | Very low | 158 Ų | 158 | 132.2 Ų | 132.2 | 78% | 0.778 | 73% | 0.732 | S | S | * | * | | | cis | -169.6 | 157.7 | -14 | -109.9 | 176.1 | 70.1 | 0 | 0 | 106.2 | | |
| 522 | M | 31.8 | Very low | 30.5 | Very low | 147 Ų | 147 | 133.4 Ų | 133.4 | 72% | 0.724 | 73% | 0.731 | S | S | * | * | | | cis | -159.9 | -161.4 | -9.4 | -153.4 | -159.7 | -179.7 | 0 | 0 | 108 | | |
| 523 | Q | 32.2 | Very low | 30.3 | Very low | 160 Ų | 160 | 132.9 Ų | 132.9 | 75% | 0.748 | 73% | 0.732 | S | S | * | * | | | trans | 51.1 | 92.4 | 160.2 | -68.1 | 178.2 | 8.9 | 0 | 0 | 117.8 | | |
| 524 | S | 29 | Very low | 30.5 | Very low | 102 Ų | 102 | 130.2 Ų | 130.2 | 71% | 0.713 | 73% | 0.729 | S | S | * | * | | | | 73.7 | 123.7 | 93.4 | 69.3 | 0 | 0 | 0 | 0 | 114.3 | | |
| 525 | T | 30.9 | Very low | 30.6 | Very low | 127 Ų | 127 | 132 Ų | 132 | 78% | 0.779 | 74% | 0.737 | S | S | * | * | | | cis | -164.5 | 173.9 | 8.1 | 0 | 0 | 0 | 0 | 0 | 107.6 | | |
| 526 | N | 29.8 | Very low | 30.3 | Very low | 140 Ų | 140 | 132.1 Ų | 132.1 | 75% | 0.749 | 74% | 0.742 | S | S | * | * | | | cis | -152.2 | -162.8 | 13 | -151.1 | -12.6 | 0 | 0 | 0 | 112 | | |
| 527 | S | 28.1 | Very low | 30.4 | Very low | 92 Ų | 92 | 136.4 Ų | 136.4 | 64% | 0.643 | 75% | 0.748 | S | S | * | * | | | trans | -14.7 | 141.6 | 156.6 | 56.5 | 0 | 0 | 0 | 0 | 118.3 | | |
| 528 | S | 29.8 | Very low | 30.2 | Very low | 114 Ų | 114 | 138.5 Ų | 138.5 | 80% | 0.797 | 75% | 0.75 | S | S | * | * | | | cis | -162.1 | 136.9 | -0.4 | 47.9 | 0 | 0 | 0 | 0 | 110.7 | | |
| 529 | N | 26.9 | Very low | 30.1 | Very low | 151 Ų | 151 | 143.2 Ų | 143.2 | 81% | 0.807 | 75% | 0.754 | S | S | * | * | | | trans | -157.4 | 158.8 | -178.9 | -146.6 | -17.5 | 0 | 0 | 0 | 111.8 | | |
| 530 | L | 27.8 | Very low | 30.1 | Very low | 132 Ų | 132 | 142 Ų | 142 | 69% | 0.691 | 75% | 0.753 | S | S | * | * | | | trans | 61.9 | 95.2 | 162.7 | -67 | 160 | 0 | 0 | 0 | 120.7 | | |
| 531 | N | 29.7 | Very low | 29.7 | Very low | 166 Ų | 166 | 144.7 Ų | 144.7 | 89% | 0.888 | 76% | 0.761 | S | S | * | * | | | | -108.9 | 131.2 | 128.5 | -76.2 | -26.3 | 0 | 0 | 0 | 106 | | |
| 532 | K | 26.8 | Very low | 29.5 | Very low | 165 Ų | 165 | 147.8 Ų | 147.8 | 72% | 0.717 | 77% | 0.766 | S | S | * | * | | | cis | 73.2 | 126.3 | 9.4 | -125 | -168.6 | 179.2 | -177.7 | 0 | 116.6 | | |
| 533 | I | 27.9 | Very low | 29.2 | Very low | 158 Ų | 158 | 149.9 Ų | 149.9 | 81% | 0.81 | 77% | 0.771 | S | S | * | * | | | trans | 76.9 | 136.2 | 163 | -57.7 | 158.6 | 0 | 0 | 0 | 116.7 | | |
| 534 | G | 32.9 | Very low | 29 | Very low | 64 Ų | 64 | 148 Ų | 148 | 66% | 0.66 | 78% | 0.775 | S | S | * | * | | | trans | 147.2 | 72.3 | -179.2 | 0 | 0 | 0 | 0 | 0 | 112.4 | | |
| 535 | L | 31.6 | Very low | 28.8 | Very low | 154 Ų | 154 | 149.6 Ų | 149.6 | 81% | 0.806 | 78% | 0.781 | S | S | * | * | | | | 59.2 | 92.8 | 95.6 | -61.1 | 173.7 | 0 | 0 | 0 | 112.8 | | |
| 536 | L | 25.4 | Very low | 28.7 | Very low | 150 Ų | 150 | 149.6 Ų | 149.6 | 79% | 0.785 | 78% | 0.783 | S | S | * | * | | | | 64 | 88.1 | 74.8 | -164.1 | 86.6 | 0 | 0 | 0 | 114.4 | | |
| 537 | K | 33.8 | Very low | 28.5 | Very low | 196 Ų | 196 | 150.3 Ų | 150.3 | 85% | 0.852 | 79% | 0.786 | S | S | * | * | | | trans | -140.3 | 116.7 | 149.5 | -67.6 | -172.8 | 177.9 | 179.2 | 0 | 105.5 | | |
| 538 | Q | 27.5 | Very low | 28.6 | Very low | 160 Ų | 160 | 153.6 Ų | 153.6 | 75% | 0.748 | 80% | 0.795 | S | S | * | * | | | | 44.8 | 116.7 | 75 | -68 | -172.8 | -16 | 0 | 0 | 112.8 | | |
| 539 | Y | 29.6 | Very low | 28.5 | Very low | 193 Ų | 193 | 156.5 Ų | 156.5 | 76% | 0.757 | 80% | 0.798 | S | S | * | * | | | | -171.9 | 126.8 | 108.8 | -115.9 | -97.9 | 0 | 0 | 0 | 112.2 | | |
| 540 | N | 32.6 | Very low | 28.4 | Very low | 130 Ų | 130 | 156.7 Ų | 156.7 | 70% | 0.695 | 80% | 0.799 | S | S | * | * | | | trans | 51 | 125.9 | 154.6 | -64.8 | 2.5 | 0 | 0 | 0 | 123.2 | | |
| 541 | H | 26.6 | Very low | 28.5 | Very low | 180 Ų | 180 | 157.4 Ų | 157.4 | 83% | 0.833 | 81% | 0.809 | S | S | * | * | | | trans | -47.6 | 153 | 146.5 | -55.4 | -82.3 | 0 | 0 | 0 | 112.6 | | |
| 542 | Y | 28.4 | Very low | 28.3 | Very low | 223 Ų | 223 | 156 Ų | 156 | 88% | 0.875 | 81% | 0.807 | S | S | * | * | | | | -150.2 | 139.1 | 126.1 | -109.2 | -75.2 | 0 | 0 | 0 | 111.6 | | |
| 543 | K | 25.6 | Very low | 28.3 | Very low | 191 Ų | 191 | 153.3 Ų | 153.3 | 83% | 0.83 | 81% | 0.809 | S | S | * | * | | | trans | -76.2 | 141.9 | 164 | -65.2 | 170.9 | 177.9 | 172.2 | 0 | 108.7 | | |
| 544 | S | 28.9 | Very low | 28.5 | Very low | 119 Ų | 119 | 155.5 Ų | 155.5 | 83% | 0.832 | 81% | 0.813 | S | S | * | * | | | | 177.2 | 135.6 | 126.6 | -81.3 | 0 | 0 | 0 | 0 | 112.5 | | |
| 545 | T | 24 | Very low | 28.2 | Very low | 137 Ų | 137 | 163.9 Ų | 163.9 | 84% | 0.84 | 82% | 0.824 | S | S | * | * | | | trans | -86 | 126.6 | 168.6 | 44.7 | 0 | 0 | 0 | 0 | 111.3 | | |
| 546 | P | 29.5 | Very low | 28.2 | Very low | 126 Ų | 126 | 162.1 Ų | 162.1 | 82% | 0.818 | 83% | 0.825 | S | S | * | * | | | trans | -94.8 | 100.8 | 164.5 | 33.3 | -27.8 | 0 | 0 | 0 | 111 | | |
| 547 | N | 24.2 | Very low | 28.4 | Very low | 155 Ų | 155 | 164.3 Ų | 164.3 | 83% | 0.829 | 83% | 0.828 | S | S | * | * | | | trans | -76.5 | 127.6 | 147.9 | -95.4 | -31.4 | 0 | 0 | 0 | 107 | | |
| 548 | I | 30 | Very low | 28 | Very low | 161 Ų | 161 | 161.6 Ų | 161.6 | 83% | 0.826 | 83% | 0.828 | S | S | * | * | | | trans | -165.4 | 139.3 | 154.3 | -108 | 150.3 | 0 | 0 | 0 | 112.7 | | |
| 549 | M | 28 | Very low | 28.2 | Very low | 176 Ų | 176 | 159.3 Ų | 159.3 | 87% | 0.867 | 83% | 0.827 | S | S | * | * | | | trans | 49.5 | 118 | 160.5 | -71.3 | 178.3 | 158 | 0 | 0 | 122.6 | | |
| 550 | N | 25 | Very low | 27.9 | Very low | 154 Ų | 154 | 160.2 Ų | 160.2 | 82% | 0.824 | 84% | 0.835 | S | S | * | * | | | trans | -47.4 | 140.3 | 148.1 | -56.6 | -57.9 | 0 | 0 | 0 | 112.9 | | |
| 551 | T | 30.7 | Very low | 27.7 | Very low | 147 Ų | 147 | 161.4 Ų | 161.4 | 90% | 0.902 | 84% | 0.84 | S | S | * | * | | | trans | -142.3 | 153.5 | 135 | 37.6 | 0 | 0 | 0 | 0 | 109.5 | | |
| 552 | T | 25.4 | Very low | 27.7 | Very low | 137 Ų | 137 | 158.1 Ų | 158.1 | 84% | 0.84 | 83% | 0.833 | S | S | * | * | | | trans | -118.7 | 134.7 | -167.3 | 53.8 | 0 | 0 | 0 | 0 | 113 | | |
| 553 | S | 27.7 | Very low | 27.5 | Very low | 109 Ų | 109 | 157 Ų | 157 | 76% | 0.762 | 83% | 0.833 | S | S | * | * | | | trans | -147.6 | 108 | 156.1 | -158.6 | 0 | 0 | 0 | 0 | 114.7 | | |
| 554 | K | 30.4 | Very low | 27.7 | Very low | 203 Ų | 203 | 157.8 Ų | 157.8 | 88% | 0.883 | 84% | 0.837 | S | S | * | * | | | trans | 44.1 | 86 | 142.3 | -62.1 | 175.2 | -178.6 | 173.7 | 0 | 119 | | |
| 555 | R | 27.2 | Very low | 27.6 | Very low | 241 Ų | 241 | 161 Ų | 161 | 91% | 0.909 | 84% | 0.836 | S | S | * | * | P | Polyproline II helix | trans | -77.5 | 117.7 | 155.4 | -173.7 | -179.7 | -172.5 | 177.7 | 4 | 110.2 | | |
| 556 | S | 30.9 | Very low | 27.7 | Very low | 117 Ų | 117 | 161.3 Ų | 161.3 | 82% | 0.818 | 83% | 0.828 | S | S | * | * | P | Polyproline II helix | trans | -73.8 | 153.5 | 173.7 | 51.6 | 0 | 0 | 0 | 0 | 111.8 | | |
| 557 | K | 30.5 | Very low | 27.5 | Very low | 195 Ų | 195 | 161.2 Ų | 161.2 | 85% | 0.848 | 82% | 0.82 | S | S | * | * | P | Polyproline II helix | trans | -103.8 | 134.3 | -170.5 | -63.2 | 174.7 | -178.6 | 173.5 | 0 | 111.8 | P559 | K557-P559 WeakPolarHBondContact O-CD 3.49Š|
| 558 | T | 25.7 | Very low | 27.6 | Very low | 139 Ų | 139 | 164 Ų | 164 | 85% | 0.853 | 82% | 0.82 | S | S | * | * | P | Polyproline II helix | trans | -77.3 | 117.6 | 156.6 | 49.1 | 0 | 0 | 0 | 0 | 109.8 | | |
| 559 | P | 30.4 | Very low | 27.6 | Very low | 112 Ų | 112 | 163.7 Ų | 163.7 | 73% | 0.727 | 82% | 0.819 | S | S | * | * | P | Polyproline II helix | trans | -78.2 | 133.8 | 178.2 | -11.3 | 28.3 | 0 | 0 | 0 | 111.6 | K557 | K557-P559 WeakPolarHBondContact O-CD 3.49Š|
| 560 | K | 24.7 | Very low | 27.5 | Very low | 213 Ų | 213 | 160.5 Ų | 160.5 | 93% | 0.926 | 81% | 0.81 | S | S | * | * | P | Polyproline II helix | trans | -78.8 | 129.7 | 151.1 | -74.4 | -177.6 | 176.9 | 179.4 | 0 | 107.3 | | |
| 561 | L | 28.2 | Very low | 27.6 | Very low | 154 Ų | 154 | 161.7 Ų | 161.7 | 81% | 0.806 | 81% | 0.81 | S | S | * | * | | | trans | -137.6 | 136.8 | 169.1 | -116 | 165.8 | 0 | 0 | 0 | 111.5 | | |
| 562 | T | 25.8 | Very low | 27.4 | Very low | 111 Ų | 111 | 162.7 Ų | 162.7 | 68% | 0.681 | 81% | 0.808 | S | S | * | * | | | trans | -90.1 | 152.1 | -174.7 | 45.5 | 0 | 0 | 0 | 0 | 112.4 | | |
| 563 | K | 25.8 | Very low | 27.5 | Very low | 201 Ų | 201 | 160.9 Ų | 160.9 | 87% | 0.874 | 81% | 0.807 | S | S | * | * | | | trans | 25.7 | 97.2 | 150.3 | -67.2 | 179.6 | 175.4 | 177 | 0 | 116.5 | | |
| 564 | F | 29.1 | Very low | 27.5 | Very low | 207 Ų | 207 | 166 Ų | 166 | 91% | 0.908 | 81% | 0.81 | S | S | * | * | | | trans | -130.4 | 162.3 | 150.3 | -98.1 | -87.3 | 0 | 0 | 0 | 110.7 | | |
| 565 | K | 27.1 | Very low | 27.5 | Very low | 187 Ų | 187 | 162.7 Ų | 162.7 | 81% | 0.813 | 81% | 0.809 | S | S | * | * | | | trans | -101.2 | 170.3 | -165.7 | -65.4 | 172.8 | -179.2 | 165 | 0 | 112.6 | D567 | K565-D567 PolarHBondContact O-N 3.47Š|
| 566 | E | 26.2 | Very low | 27.6 | Very low | 142 Ų | 142 | 158.2 Ų | 158.2 | 66% | 0.664 | 80% | 0.802 | S | S | * | * | | | trans | -35.6 | 127.5 | 146.9 | -50.2 | 166.5 | 104.5 | 0 | 0 | 109 | K910 | E566-K910 VanDerWaalsContact CD-NZ 3.34Å; E566-K910 IonicContact OE1-NZ 2.69Å; E566-K910 PolarHBondContact OE1-NZ 2.86Å; E566-K910 IonicContact OE2-NZ 3.24Å; E566-K910 PolarHBondContact OE2-NZ 3.08Å |
| 567 | D | 25.4 | Very low | 27.4 | Very low | 125 Ų | 125 | 159.9 Ų | 159.9 | 67% | 0.668 | 80% | 0.795 | S | S | * | * | | | | -166.4 | -179.3 | 63 | -87.8 | -49.5 | 0 | 0 | 0 | 111.3 | K565 | K565-D567 PolarHBondContact O-N 3.47Š|
| 568 | Y | 26.4 | Very low | 27.2 | Very low | 212 Ų | 212 | 156.3 Ų | 156.3 | 83% | 0.831 | 79% | 0.791 | S | S | * | * | | | trans | 92.1 | 125.4 | 164.8 | -74.4 | -86.1 | 0 | 0 | 0 | 121.5 | | |
| 569 | I | 29.6 | Very low | 27.3 | Very low | 155 Ų | 155 | 155.8 Ų | 155.8 | 80% | 0.795 | 78% | 0.779 | S | S | * | * | | | trans | 82.2 | 95.2 | 151.9 | -61.1 | 160.1 | 0 | 0 | 0 | 118 | | |
| 570 | T | 25 | Very low | 27.1 | Very low | 110 Ų | 110 | 160.2 Ų | 160.2 | 68% | 0.675 | 79% | 0.787 | S | S | * | * | | | trans | -65.4 | 150 | 153.2 | 49.4 | 0 | 0 | 0 | 0 | 112.6 | | |
| 571 | H | 26.8 | Very low | 27.3 | Very low | 179 Ų | 179 | 157.2 Ų | 157.2 | 83% | 0.829 | 78% | 0.781 | S | S | * | * | | | | -179.3 | 178.4 | 122 | -91.5 | -53.4 | 0 | 0 | 0 | 110.9 | | |
| 572 | I | 27.1 | Very low | 27.2 | Very low | 167 Ų | 167 | 156.1 Ų | 156.1 | 86% | 0.856 | 78% | 0.776 | S | S | * | * | | | trans | 69.4 | 87.9 | 177.4 | -45.5 | 175.8 | 0 | 0 | 0 | 115.5 | | |
| 573 | A | 28.5 | Very low | 27.4 | Very low | 99 Ų | 99 | 158 Ų | 158 | 82% | 0.818 | 78% | 0.782 | S | S | * | * | | | trans | 168 | 74.8 | 140.7 | 0 | 0 | 0 | 0 | 0 | 110.6 | | |
| 574 | R | 27.1 | Very low | 27.4 | Very low | 217 Ų | 217 | 154.7 Ų | 154.7 | 82% | 0.819 | 77% | 0.773 | S | S | * | * | | | trans | -110.1 | 131.4 | 162.5 | -82.2 | -175.4 | 175.8 | 172 | -1.2 | 108.3 | L576 | R574-L576 PolarHBondContact O-N 2.88Å; R574-L576 VanDerWaalsContact O-N 3.14Å |
| 575 | P | 30.1 | Very low | 27.6 | Very low | 133 Ų | 133 | 152.7 Ų | 152.7 | 86% | 0.864 | 77% | 0.772 | S | S | * | * | | | trans | -65.6 | 111 | 156.3 | 28.8 | -30.4 | 0 | 0 | 0 | 107.4 | | |
| 576 | L | 29.3 | Very low | 27.6 | Very low | 148 Ų | 148 | 150.9 Ų | 150.9 | 78% | 0.775 | 77% | 0.772 | S | S | * | * | | | trans | -79.2 | 161.3 | 173.8 | -76.3 | 168.7 | 0 | 0 | 0 | 110.2 | R574 | R574-L576 PolarHBondContact O-N 2.88Å; R574-L576 VanDerWaalsContact O-N 3.14Å |
| 577 | K | 27 | Very low | 27.9 | Very low | 152 Ų | 152 | 151 Ų | 151 | 66% | 0.661 | 78% | 0.775 | S | S | * | * | | | trans | -56.2 | 150.4 | 172.8 | -62.5 | 166.4 | 172.5 | 174.6 | 0 | 110.5 | E579 | K577-E579 HydrophobicContact CB-CG 3.98Å; K577-E579 HydrophobicContact CD-CG 3.71Å; K577-E579 WeakPolarHBondContact CD-OE1 3.49Å; K577-E579 WeakPolarHBondContact CE-OE1 3.46Å; K577-E579 IonicContact NZ-OE1 3.13Å; K577-E579 PolarHBondContact NZ-OE1 3.18Å; K577-E579 PolarHBondContact O-N 3.29Å |
| 578 | P | 26.4 | Very low | 28.3 | Very low | 119 Ų | 119 | 151.5 Ų | 151.5 | 77% | 0.773 | 78% | 0.778 | S | S | * | * | | | trans | -71.3 | 83.5 | 151.8 | 32.2 | -31.7 | 0 | 0 | 0 | 108.8 | | |
| 579 | E | 28.2 | Very low | 28.4 | Very low | 128 Ų | 128 | 148.5 Ų | 148.5 | 60% | 0.598 | 77% | 0.771 | S | S | * | * | | | trans | -83.7 | 110.2 | 164.1 | -81.9 | 178.9 | 169.3 | 0 | 0 | 108.5 | K577 L581 | K577-E579 HydrophobicContact CB-CG 3.98Å; K577-E579 HydrophobicContact CD-CG 3.71Å; K577-E579 WeakPolarHBondContact CD-OE1 3.49Å; K577-E579 WeakPolarHBondContact CE-OE1 3.46Å; K577-E579 IonicContact NZ-OE1 3.13Å; K577-E579 PolarHBondContact NZ-OE1 3.18Å; K577-E579 PolarHBondContact O-N 3.29Å; E579-L581 PolarHBondContact O-N 3.35Å; E579-L581 VanDerWaalsContact O-N 3.08Å |
| 580 | F | 25.4 | Very low | 28.4 | Very low | 205 Ų | 205 | 150.9 Ų | 150.9 | 90% | 0.899 | 77% | 0.771 | S | S | * | * | | | trans | -61.9 | 107.9 | 174.6 | -73 | -100.3 | 0 | 0 | 0 | 109.4 | | |
| 581 | L | 28.5 | Very low | 28.6 | Very low | 151 Ų | 151 | 151.4 Ų | 151.4 | 79% | 0.791 | 77% | 0.77 | S | S | * | * | | | trans | -126.9 | 88.6 | 171 | -109.8 | 164.7 | 0 | 0 | 0 | 109.9 | E579 N583 | E579-L581 PolarHBondContact O-N 3.35Å; E579-L581 VanDerWaalsContact O-N 3.08Å; L581-N583 PolarHBondContact O-N 3.44Å |
| 582 | N | 26.2 | Very low | 28.8 | Very low | 131 Ų | 131 | 146 Ų | 146 | 70% | 0.701 | 76% | 0.756 | S | S | * | * | | | trans | -49.2 | 126.6 | 166.9 | -179.6 | 11.8 | 0 | 0 | 0 | 110.5 | | |
| 583 | N | 29.7 | Very low | 28.8 | Very low | 151 Ų | 151 | 142.1 Ų | 142.1 | 81% | 0.807 | 73% | 0.733 | S | S | * | * | | | trans | -153.6 | 119.1 | 162 | -117.7 | -22.4 | 0 | 0 | 0 | 110.4 | L581 | L581-N583 PolarHBondContact O-N 3.44Š|
| 584 | N | 26.5 | Very low | 28.9 | Very low | 130 Ų | 130 | 141.8 Ų | 141.8 | 70% | 0.695 | 72% | 0.717 | S | S | * | * | | | trans | -66.9 | 147.5 | -179.7 | -57.4 | -58.1 | 0 | 0 | 0 | 111.4 | | |
| 585 | N | 33.6 | Very low | 29.1 | Very low | 166 Ų | 166 | 134.6 Ų | 134.6 | 89% | 0.888 | 70% | 0.7 | S | S | * | * | | | | -154.4 | 137.3 | 127.3 | -98.5 | -40.7 | 0 | 0 | 0 | 110.4 | | |
| 586 | N | 27.7 | Very low | 29 | Very low | 149 Ų | 149 | 134.8 Ų | 134.8 | 80% | 0.797 | 69% | 0.689 | S | S | * | * | | | trans | -66.1 | 162.5 | 175.4 | -65.6 | -43.8 | 0 | 0 | 0 | 111.2 | | |
| 587 | I | 32.4 | Very low | 29 | Very low | 145 Ų | 145 | 134.3 Ų | 134.3 | 74% | 0.744 | 68% | 0.683 | S | S | * | * | | | | -178.3 | 124.7 | 114.3 | -95.7 | 159.1 | 0 | 0 | 0 | 110.4 | | |
| 588 | N | 33.1 | Very low | 28.9 | Very low | 134 Ų | 134 | 133 Ų | 133 | 72% | 0.717 | 68% | 0.683 | S | S | * | * | | | trans | 61.2 | 148.9 | 158 | -60 | 2.2 | 0 | 0 | 0 | 118.9 | | |
| 589 | H | 28.4 | Very low | 29.3 | Very low | 149 Ų | 149 | 135.2 Ų | 135.2 | 69% | 0.69 | 69% | 0.688 | S | S | * | * | | | cis | -174.6 | 134.5 | -28.6 | -120.9 | -70.1 | 0 | 0 | 0 | 105.2 | | |
| 590 | Y | 29.8 | Very low | 29.3 | Very low | 205 Ų | 205 | 134.8 Ų | 134.8 | 80% | 0.804 | 70% | 0.699 | S | S | * | * | | | | 174.9 | 97.1 | 127.2 | -106.8 | -80.4 | 0 | 0 | 0 | 112.4 | | |
| 591 | N | 29.3 | Very low | 29.5 | Very low | 122 Ų | 122 | 131.2 Ų | 131.2 | 65% | 0.652 | 69% | 0.689 | S | S | * | * | | | trans | 53.1 | 111.8 | 138.4 | -59 | 0.7 | 0 | 0 | 0 | 122.1 | | |
| 592 | A | 29.6 | Very low | 29.5 | Very low | 64 Ų | 64 | 133.7 Ų | 133.7 | 53% | 0.529 | 69% | 0.688 | S | S | . | * | | | | 112.6 | 86.9 | 109.4 | 0 | 0 | 0 | 0 | 0 | 121.4 | | |
| 593 | F | 28.3 | Very low | 29.4 | Very low | 87 Ų | 87 | 133 Ų | 133 | 38% | 0.382 | 69% | 0.694 | S | S | . | * | | | | 77.7 | 125.2 | 118.6 | -56.9 | -40.6 | 0 | 0 | 0 | 120.4 | S129 P130 K132 | S129-F593 VanDerWaalsContact CB-O 3.25Å; S129-F593 WeakPolarHBondContact CB-O 3.25Å; S129-F593 PolarHBondContact OG-O 3.28Å; P130-F593 HydrophobicContact CB-CB 3.34Å; P130-F593 HydrophobicContact CB-CD2 3.46Å; P130-F593 VanDerWaalsContact CB-CD2 3.46Å; P130-F593 HydrophobicContact CB-CG 3.71Å; P130-F593 HydrophobicContact CG-CD2 4.49Å; K132-F593 HydrophobicContact CB-CD1 4.26Å; K132-F593 HydrophobicContact CB-CE1 3.63Å; K132-F593 HydrophobicContact CB-CZ 3.85Å; K132-F593 HydrophobicContact CD-CE1 4.22Å; K132-F593 HydrophobicContact CD-CE2 4.36Å; K132-F593 HydrophobicContact CD-CZ 3.64Å; K132-F593 HydrophobicContact CG-CE1 3.7Å; K132-F593 HydrophobicContact CG-CZ 3.66Å |
| 594 | I | 30.8 | Very low | 29.4 | Very low | 91 Ų | 91 | 130.7 Ų | 130.7 | 47% | 0.467 | 70% | 0.695 | S | S | . | * | | | | 75.5 | 135.8 | 65.3 | -67.2 | -179.4 | 0 | 0 | 0 | 110.2 | P130 | P130-I594 CarbonylContact C-O 3.55Å; P130-I594 WeakPolarHBondContact CA-O 3.37Å |
| 595 | S | 30.2 | Very low | 29.4 | Very low | 67 Ų | 67 | 133.5 Ų | 133.5 | 47% | 0.469 | 70% | 0.701 | S | S | . | * | | | cis | -150.6 | 158 | 37.1 | -5.4 | 0 | 0 | 0 | 0 | 118 | P130 S131 | P130-S595 PolarHBondContact O-OG 2.88Å; P130-S595 VanDerWaalsContact O-OG 3.07Å; S131-S595 PolarHBondContact N-OG 3Å |
| 596 | E | 29.2 | Very low | 29.3 | Very low | 137 Ų | 137 | 133.2 Ų | 133.2 | 64% | 0.64 | 70% | 0.698 | S | S | * | * | | | | 49.3 | 168 | 124.8 | -56.1 | 167.5 | 123.5 | 0 | 0 | 120.8 | | |
| 597 | Q | 28.2 | Very low | 29.3 | Very low | 137 Ų | 137 | 132.3 Ų | 132.3 | 64% | 0.64 | 69% | 0.693 | S | S | * | * | | | cis | -144.3 | 164.6 | 2 | -153.2 | 103.7 | 44.5 | 0 | 0 | 111.7 | | |
| 598 | D | 26.4 | Very low | 29 | Very low | 125 Ų | 125 | 129.9 Ų | 129.9 | 67% | 0.668 | 69% | 0.685 | S | S | * | * | | | trans | -17.9 | 144.6 | 158.1 | -47.7 | -41.5 | 0 | 0 | 0 | 118.5 | | |
| 599 | L | 33.9 | Very low | 28.7 | Very low | 166 Ų | 166 | 132 Ų | 132 | 87% | 0.869 | 69% | 0.688 | S | S | * | * | | | | -174.8 | 124.4 | 97.9 | -95.2 | 168.6 | 0 | 0 | 0 | 112.3 | | |
| 600 | S | 28.8 | Very low | 28.8 | Very low | 119 Ų | 119 | 133.2 Ų | 133.2 | 83% | 0.832 | 69% | 0.694 | S | S | * | * | | | trans | -91.8 | 114.4 | 161.8 | 156.7 | 0 | 0 | 0 | 0 | 108.5 | | |
| 601 | D | 28.2 | Very low | 29 | Very low | 129 Ų | 129 | 133.9 Ų | 133.9 | 69% | 0.69 | 70% | 0.696 | S | S | * | * | | | trans | -158.4 | 159.3 | 155.2 | -142.7 | -6.6 | 0 | 0 | 0 | 115.4 | | |
| 602 | R | 28.8 | Very low | 28.8 | Very low | 204 Ų | 204 | 135.8 Ų | 135.8 | 77% | 0.77 | 71% | 0.706 | S | S | * | * | | | trans | 52.6 | 91.5 | 154.6 | -78.6 | 164.3 | 171.2 | -166 | -4.6 | 120.4 | | |
| 603 | S | 24.3 | Very low | 28.8 | Very low | 117 Ų | 117 | 143.4 Ų | 143.4 | 82% | 0.818 | 72% | 0.722 | S | S | * | * | | | | 7.7 | 115.1 | 116.9 | 62.2 | 0 | 0 | 0 | 0 | 118.7 | | |
| 604 | A | 30.5 | Very low | 28.9 | Very low | 102 Ų | 102 | 143.9 Ų | 143.9 | 84% | 0.843 | 74% | 0.736 | S | S | * | * | | | trans | -148 | 126 | 147.9 | 0 | 0 | 0 | 0 | 0 | 113.3 | | |
| 605 | K | 26.5 | Very low | 29.1 | Very low | 189 Ų | 189 | 147.6 Ų | 147.6 | 82% | 0.822 | 75% | 0.751 | S | S | * | * | | | trans | -42.7 | 172.1 | 155.6 | -70.5 | 165.4 | 164.7 | 174 | 0 | 113.9 | | |
| 606 | I | 30.2 | Very low | 29 | Very low | 160 Ų | 160 | 150.9 Ų | 150.9 | 82% | 0.821 | 76% | 0.763 | S | S | * | * | | | trans | 85 | 145.2 | 158 | -66.1 | 142.4 | 0 | 0 | 0 | 115.3 | | |
| 607 | N | 27.5 | Very low | 29 | Very low | 130 Ų | 130 | 152.4 Ų | 152.4 | 70% | 0.695 | 77% | 0.77 | S | S | * | * | | | cis | -175.9 | 153.2 | -33.2 | -161.1 | 7.1 | 0 | 0 | 0 | 106.9 | | |
| 608 | V | 27.7 | Very low | 29.3 | Very low | 94 Ų | 94 | 152 Ų | 152 | 57% | 0.57 | 77% | 0.772 | S | S | * | * | | | trans | 56.5 | 122 | 141.2 | 135.8 | 0 | 0 | 0 | 0 | 121.4 | | |
| 609 | K | 27 | Very low | 29.5 | Very low | 177 Ų | 177 | 154 Ų | 154 | 77% | 0.77 | 78% | 0.783 | S | S | * | * | | | trans | 53 | 120.6 | 147.2 | -51.4 | 167.6 | -160.3 | 171.3 | 0 | 118.9 | | |
| 610 | Q | 29.6 | Very low | 29.2 | Very low | 175 Ų | 175 | 154.2 Ų | 154.2 | 82% | 0.818 | 78% | 0.777 | S | S | * | * | | | | -178.5 | 123.2 | 96.9 | -97.3 | 170.2 | -3.3 | 0 | 0 | 111.4 | | |
| 611 | Y | 33.2 | Very low | 29.2 | Very low | 219 Ų | 219 | 155 Ų | 155 | 86% | 0.859 | 77% | 0.771 | S | S | * | * | | | | -167.9 | 75.6 | 117.6 | -110.8 | -71.7 | 0 | 0 | 0 | 111.1 | | |
| 612 | N | 27 | Very low | 29.3 | Very low | 162 Ų | 162 | 156 Ų | 156 | 87% | 0.866 | 77% | 0.771 | S | S | * | * | | | trans | -78.9 | 118 | 163.8 | -77.7 | 1.8 | 0 | 0 | 0 | 109 | | |
| 613 | R | 28.5 | Very low | 29.2 | Very low | 224 Ų | 224 | 154.4 Ų | 154.4 | 85% | 0.845 | 77% | 0.772 | S | S | * | * | | | trans | -171.3 | 144.9 | 153.1 | -113.8 | 169.3 | -178.2 | 179.5 | -0.4 | 111.5 | | |
| 614 | S | 31.5 | Very low | 29.3 | Very low | 98 Ų | 98 | 155 Ų | 155 | 69% | 0.685 | 77% | 0.765 | S | S | * | * | | | trans | 54.9 | 129.2 | 163.1 | 44.5 | 0 | 0 | 0 | 0 | 118.3 | | |
| 615 | H | 33.4 | Very low | 29.2 | Very low | 169 Ų | 169 | 158.3 Ų | 158.3 | 78% | 0.782 | 76% | 0.76 | S | S | * | * | | | cis | -137.5 | 134.2 | -16.2 | -88.9 | -86 | 0 | 0 | 0 | 105.7 | | |
| 616 | N | 28.3 | Very low | 29.1 | Very low | 135 Ų | 135 | 156 Ų | 156 | 72% | 0.722 | 76% | 0.757 | S | S | * | * | | | | 58.4 | 127.2 | 76.5 | -99.3 | 31.5 | 0 | 0 | 0 | 114.5 | | |
| 617 | E | 30.1 | Very low | 29.1 | Very low | 170 Ų | 170 | 155.3 Ų | 155.3 | 79% | 0.794 | 75% | 0.75 | S | S | * | * | | | trans | 74 | 125.9 | 168.9 | -62.7 | 173.3 | -135.3 | 0 | 0 | 116.5 | | |
| 618 | L | 34 | Very low | 28.9 | Very low | 127 Ų | 127 | 154.8 Ų | 154.8 | 67% | 0.665 | 75% | 0.747 | S | S | * | * | | | cis | -127.4 | 120.9 | -7.2 | -73.3 | 96.7 | 0 | 0 | 0 | 111.7 | | |
| 619 | D | 30 | Very low | 29.1 | Very low | 168 Ų | 168 | 157 Ų | 157 | 90% | 0.898 | 76% | 0.764 | S | S | * | * | S | Bend | trans | -106.3 | 80.4 | 153.8 | -164.3 | 4.2 | 0 | 0 | 0 | 107.1 | | |
| 620 | K | 28.1 | Very low | 28.9 | Very low | 171 Ų | 171 | 153.9 Ų | 153.9 | 74% | 0.743 | 76% | 0.755 | S | S | * | * | | | trans | -177.2 | 148 | -176.2 | -108.3 | 155.2 | -172.3 | 174.5 | 0 | 110.8 | | |
| 621 | L | 28.3 | Very low | 28.8 | Very low | 136 Ų | 136 | 150.2 Ų | 150.2 | 71% | 0.712 | 74% | 0.741 | S | S | * | * | | | trans | 65.4 | 118 | -179.7 | -43.7 | 176.4 | 0 | 0 | 0 | 112.1 | | |
| 622 | H | 31.4 | Very low | 28.6 | Very low | 150 Ų | 150 | 145.1 Ų | 145.1 | 69% | 0.694 | 74% | 0.737 | S | S | * | * | | | cis | -155.8 | 129.7 | 0.2 | -92.8 | 125.8 | 0 | 0 | 0 | 104 | | |
| 623 | Q | 26.4 | Very low | 28.5 | Very low | 169 Ų | 169 | 147.7 Ų | 147.7 | 79% | 0.79 | 74% | 0.736 | S | S | * | * | | | | 51.1 | 127.5 | 50.1 | -151.5 | -170.4 | 90.9 | 0 | 0 | 113.5 | | |
| 624 | I | 26.3 | Very low | 28.4 | Very low | 129 Ų | 129 | 142.7 Ų | 142.7 | 66% | 0.662 | 72% | 0.723 | S | S | * | * | | | trans | 88.6 | 139.8 | 176.2 | -52.1 | 159.4 | 0 | 0 | 0 | 114.8 | | |
| 625 | K | 28 | Very low | 28.2 | Very low | 172 Ų | 172 | 146 Ų | 146 | 75% | 0.748 | 73% | 0.727 | S | S | * | * | | | trans | 67.2 | 103.5 | 173.8 | -76.1 | 153.2 | -167.7 | 177.6 | 0 | 115.5 | | |
| 626 | N | 25.1 | Very low | 28.1 | Very low | 140 Ų | 140 | 145.1 Ų | 145.1 | 75% | 0.749 | 73% | 0.727 | S | S | * | * | | | cis | 62.2 | 140.5 | 22.5 | -129.7 | 41.4 | 0 | 0 | 0 | 112.9 | | |
| 627 | E | 28.9 | Very low | 28.1 | Very low | 147 Ų | 147 | 145 Ų | 145 | 69% | 0.687 | 73% | 0.725 | S | S | * | * | | | trans | 71.1 | 113.2 | 175.4 | -61.6 | 151.7 | -123.2 | 0 | 0 | 117.8 | | |
| 628 | N | 25.3 | Very low | 28 | Very low | 118 Ų | 118 | 146.7 Ų | 146.7 | 63% | 0.631 | 73% | 0.729 | S | S | * | * | | | | 49.8 | 129.3 | 127.1 | -65.9 | -29.1 | 0 | 0 | 0 | 120.3 | L630 | N628-L630 HydrophobicContact CB-CB 4.27Š|
| 629 | P | 30.3 | Very low | 27.8 | Very low | 142 Ų | 142 | 149.9 Ų | 149.9 | 92% | 0.922 | 74% | 0.738 | S | S | * | * | | | | -107.3 | 97.7 | 92.2 | 30 | -35.9 | 0 | 0 | 0 | 113.7 | | |
| 630 | L | 24.2 | Very low | 27.6 | Very low | 111 Ų | 111 | 149.4 Ų | 149.4 | 58% | 0.581 | 73% | 0.728 | S | S | * | * | | | trans | -69.9 | 146.9 | 148.5 | -124.6 | 157.9 | 0 | 0 | 0 | 107.8 | N628 | N628-L630 HydrophobicContact CB-CB 4.27Š|
| 631 | N | 25.9 | Very low | 27.7 | Very low | 98 Ų | 98 | 146.8 Ų | 146.8 | 52% | 0.524 | 73% | 0.728 | S | S | . | * | | | trans | 71.9 | 91.8 | 169.9 | -52.9 | -47.7 | 0 | 0 | 0 | 118.7 | Q634 | N631-Q634 PolarHBondContact OD1-NE2 3.47Š|
| 632 | S | 29.3 | Very low | 27.6 | Very low | 111 Ų | 111 | 145.1 Ų | 145.1 | 78% | 0.776 | 72% | 0.72 | S | S | * | * | S | Bend | | 178.9 | 124.3 | 116.4 | 40.6 | 0 | 0 | 0 | 0 | 109.1 | | |
| 633 | Y | 26.3 | Very low | 27.5 | Very low | 216 Ų | 216 | 141.1 Ų | 141.1 | 85% | 0.847 | 72% | 0.719 | S | S | * | * | | | cis | -109.2 | 146.3 | -8.5 | -84.2 | -116.5 | 0 | 0 | 0 | 107.1 | | |
| 634 | Q | 25.5 | Very low | 27.6 | Very low | 120 Ų | 120 | 139.2 Ų | 139.2 | 56% | 0.561 | 72% | 0.715 | S | S | * | * | | | cis | 54.3 | 102.8 | 26.3 | -79.9 | -140.5 | 32 | 0 | 0 | 115.4 | N631 | N631-Q634 PolarHBondContact OD1-NE2 3.47Š|
| 635 | Q | 28.1 | Very low | 27.6 | Very low | 166 Ų | 166 | 139.7 Ų | 139.7 | 78% | 0.776 | 72% | 0.719 | S | S | * | * | | | trans | 74.5 | 133.6 | -179.7 | -45.5 | 170.1 | 40.3 | 0 | 0 | 110.9 | | |
| 636 | I | 29.6 | Very low | 27.6 | Very low | 152 Ų | 152 | 138.3 Ų | 138.3 | 78% | 0.779 | 72% | 0.72 | S | S | * | * | | | cis | -128.4 | 129.4 | 40.7 | -81.5 | 171.7 | 0 | 0 | 0 | 114 | | |
| 637 | I | 29.1 | Very low | 27.7 | Very low | 133 Ų | 133 | 139 Ų | 139 | 68% | 0.682 | 72% | 0.723 | S | S | * | * | | | trans | 44.6 | 109.6 | 141.5 | -56.4 | 177.2 | 0 | 0 | 0 | 117.8 | | |
| 638 | K | 27.9 | Very low | 27.7 | Very low | 205 Ų | 205 | 138.9 Ų | 138.9 | 89% | 0.891 | 73% | 0.726 | S | S | * | * | | | | 56.2 | 63.2 | 72.6 | -70.4 | -170.1 | 172.5 | -178 | 0 | 116.4 | | |
| 639 | K | 30.7 | Very low | 28 | Very low | 193 Ų | 193 | 138.3 Ų | 138.3 | 84% | 0.839 | 72% | 0.723 | S | S | * | * | | | trans | -144.3 | 128.2 | 145.7 | -78.7 | -162.7 | 179.3 | -179.5 | 0 | 107.2 | | |
| 640 | K | 25.4 | Very low | 27.9 | Very low | 158 Ų | 158 | 136.2 Ų | 136.2 | 69% | 0.687 | 70% | 0.704 | S | S | * | * | | | cis | 55 | 117.1 | 14.9 | -85.4 | -172.1 | 176.9 | -108.6 | 0 | 113.8 | N642 | K640-N642 VanDerWaalsContact CD-OD1 3.23Å; K640-N642 WeakPolarHBondContact CD-OD1 3.21Å; K640-N642 WeakPolarHBondContact CE-OD1 3.37Å; K640-N642 WeakPolarHBondContact CG-OD1 3.25Å; K640-N642 PolarHBondContact NZ-OD1 3.46Å |
| 641 | P | 29.9 | Very low | 28.2 | Very low | 117 Ų | 117 | 137 Ų | 137 | 76% | 0.76 | 71% | 0.707 | S | S | * | * | | | cis | -77.7 | 151.9 | 43.1 | 33.3 | -40.4 | 0 | 0 | 0 | 114.9 | | |
| 642 | N | 27 | Very low | 28.3 | Very low | 100 Ų | 100 | 135.4 Ų | 135.4 | 54% | 0.535 | 70% | 0.696 | S | S | . | * | | | cis | 69.1 | 148.1 | 43.4 | -58.7 | -3.2 | 0 | 0 | 0 | 112 | K640 | K640-N642 VanDerWaalsContact CD-OD1 3.23Å; K640-N642 WeakPolarHBondContact CD-OD1 3.21Å; K640-N642 WeakPolarHBondContact CE-OD1 3.37Å; K640-N642 WeakPolarHBondContact CG-OD1 3.25Å; K640-N642 PolarHBondContact NZ-OD1 3.46Å |
| 643 | G | 29.1 | Very low | 28.2 | Very low | 66 Ų | 66 | 135.3 Ų | 135.3 | 68% | 0.68 | 69% | 0.687 | S | S | * | * | | | trans | 77.8 | 74.7 | -158.2 | 0 | 0 | 0 | 0 | 0 | 108.9 | | |
| 644 | D | 27.3 | Very low | 28.2 | Very low | 130 Ų | 130 | 130.3 Ų | 130.3 | 70% | 0.695 | 68% | 0.684 | S | S | * | * | | | cis | 70.3 | 112.5 | 49.2 | -49.6 | -51.8 | 0 | 0 | 0 | 112.6 | | |
| 645 | N | 27.6 | Very low | 28.2 | Very low | 139 Ų | 139 | 130.8 Ų | 130.8 | 74% | 0.743 | 70% | 0.695 | S | S | * | * | | | trans | 69.8 | 143.6 | 149.2 | -59.3 | -0.1 | 0 | 0 | 0 | 121.7 | | |
| 646 | D | 27.3 | Very low | 28.1 | Very low | 143 Ų | 143 | 129.1 Ų | 129.1 | 77% | 0.765 | 70% | 0.7 | S | S | * | * | | | trans | 59 | 113.2 | 145.2 | -52.9 | -20.1 | 0 | 0 | 0 | 121.3 | | |
| 647 | N | 28 | Very low | 27.9 | Very low | 154 Ų | 154 | 132.3 Ų | 132.3 | 82% | 0.824 | 70% | 0.702 | S | S | * | * | | | | 54 | 148.1 | 126.1 | -98.3 | -0 | 0 | 0 | 0 | 122.5 | | |
| 648 | I | 28.9 | Very low | 27.9 | Very low | 145 Ų | 145 | 135.4 Ų | 135.4 | 74% | 0.744 | 71% | 0.713 | S | S | * | * | | | trans | 90.8 | 97.6 | 163.6 | -54.4 | 146.9 | 0 | 0 | 0 | 117.2 | | |
| 649 | D | 29.8 | Very low | 27.9 | Very low | 105 Ų | 105 | 130.1 Ų | 130.1 | 56% | 0.561 | 70% | 0.702 | S | S | * | * | | | | 51.4 | 125.6 | 126.6 | -50.3 | -15 | 0 | 0 | 0 | 125 | | |
| 650 | N | 28.6 | Very low | 27.9 | Very low | 98 Ų | 98 | 126.2 Ų | 126.2 | 52% | 0.524 | 70% | 0.699 | S | S | . | * | | | trans | 77.4 | 165.9 | 141.7 | -59 | -26.4 | 0 | 0 | 0 | 122.1 | I865 | N650-I865 PolarHBondContact OD1-O 2.95Š|
| 651 | I | 31.6 | Very low | 28 | Very low | 129 Ų | 129 | 128.2 Ų | 128.2 | 66% | 0.662 | 70% | 0.704 | S | S | * | * | | | trans | 85 | 153.1 | 168.1 | -53.6 | 164.4 | 0 | 0 | 0 | 117.2 | I863 S864 I865 | I651-I863 HydrophobicContact CG1-CG2 4.33Å; I651-I863 HydrophobicContact CG2-CG2 4.15Å; I651-S864 WeakPolarHBondContact CA-O 3.26Å; I651-S864 PolarHBondContact N-O 2.86Å; I651-I865 WeakPolarHBondContact O-CG2 3.44Å |
| 652 | Q | 28.4 | Very low | 27.9 | Very low | 63 Ų | 63 | 131.3 Ų | 131.3 | 29% | 0.294 | 71% | 0.708 | S | S | . | * | | | | -135.9 | 152.6 | -94.2 | -154.1 | -167 | 1.5 | 0 | 0 | 114.3 | I863 S864 I865 | Q652-I863 HydrophobicContact CB-CG2 4.18Å; Q652-S864 WeakPolarHBondContact CB-O 3.48Å; Q652-S864 VanDerWaalsContact CG-C 3.43Å; Q652-S864 WeakPolarHBondContact CG-O 3.25Å; Q652-S864 PolarHBondContact NE2-OG 3.2Å; Q652-I865 HydrophobicContact CB-CB 4.03Å; Q652-I865 HydrophobicContact CB-CG1 4.31Å; Q652-I865 HydrophobicContact CG-CB 3.61Å; Q652-I865 HydrophobicContact CG-CD1 4.33Å; Q652-I865 HydrophobicContact CG-CG1 3.6Å |
| 653 | L | 26.1 | Very low | 28.1 | Very low | 110 Ų | 110 | 136 Ų | 136 | 58% | 0.576 | 72% | 0.718 | S | S | * | * | | | trans | 72.1 | 119 | 145.8 | -98.7 | 168.8 | 0 | 0 | 0 | 117.6 | | |
| 654 | S | 27 | Very low | 28.2 | Very low | 111 Ų | 111 | 139.3 Ų | 139.3 | 78% | 0.776 | 72% | 0.72 | S | S | * | * | | | | -164.8 | 143.2 | 94.3 | 33 | 0 | 0 | 0 | 0 | 111.9 | | |
| 655 | T | 25.1 | Very low | 28.4 | Very low | 129 Ų | 129 | 140.1 Ų | 140.1 | 79% | 0.791 | 72% | 0.724 | S | S | * | * | | | trans | -87.8 | 143.9 | 167.2 | 37.7 | 0 | 0 | 0 | 0 | 109.6 | | |
| 656 | C | 26.1 | Very low | 28.5 | Very low | 131 Ų | 131 | 139.9 Ų | 139.9 | 89% | 0.885 | 72% | 0.722 | S | S | * | * | | | trans | -125.1 | 135 | 165.8 | -87.7 | 0 | 0 | 0 | 0 | 110.4 | | |
| 657 | R | 25.5 | Very low | 28.7 | Very low | 219 Ų | 219 | 143.1 Ų | 143.1 | 83% | 0.826 | 73% | 0.73 | S | S | * | * | | | trans | -98.6 | 147 | 176.3 | -63.7 | 173.1 | 174.5 | 169.4 | -3.2 | 109.8 | S659 | R657-S659 PolarHBondContact O-OG 3.32Š|
| 658 | H | 29.6 | Very low | 28.8 | Very low | 199 Ų | 199 | 144.3 Ų | 144.3 | 92% | 0.921 | 73% | 0.728 | S | S | * | * | | | trans | -108.2 | 119 | 146.7 | -65.4 | 156.9 | 0 | 0 | 0 | 106.7 | | |
| 659 | S | 27.1 | Very low | 28.9 | Very low | 93 Ų | 93 | 143.3 Ų | 143.3 | 65% | 0.65 | 73% | 0.73 | S | S | * | * | | | cis | 94.9 | 92.9 | 17.3 | -48.4 | 0 | 0 | 0 | 0 | 115.2 | R657 | R657-S659 PolarHBondContact O-OG 3.32Š|
| 660 | S | 31.6 | Very low | 29 | Very low | 111 Ų | 111 | 145 Ų | 145 | 78% | 0.776 | 74% | 0.74 | S | S | * | * | | | trans | 169.4 | 138.3 | 142.5 | 41.6 | 0 | 0 | 0 | 0 | 108.3 | | |
| 661 | Y | 26.4 | Very low | 29.1 | Very low | 200 Ų | 200 | 149.4 Ų | 149.4 | 78% | 0.784 | 76% | 0.757 | S | S | * | * | | | cis | -108.8 | 138.4 | 6.2 | -99.3 | -109.1 | 0 | 0 | 0 | 113.6 | | |
| 662 | E | 27.2 | Very low | 29.1 | Very low | 182 Ų | 182 | 150.9 Ų | 150.9 | 85% | 0.85 | 77% | 0.766 | S | S | * | * | | | trans | -118.4 | 158.2 | 149.6 | -79 | -168.9 | 169.6 | 0 | 0 | 108.9 | | |
| 663 | R | 31.2 | Very low | 29.2 | Very low | 199 Ų | 199 | 153.5 Ų | 153.5 | 75% | 0.751 | 79% | 0.789 | S | S | * | * | | | trans | -163.3 | 151.8 | 139.2 | -124.5 | 176.9 | -76.9 | -176.2 | -4.1 | 113.4 | | |
| 664 | N | 32.6 | Very low | 29.5 | Very low | 135 Ų | 135 | 155.9 Ų | 155.9 | 72% | 0.722 | 80% | 0.8 | S | S | * | * | | | trans | 78.4 | 57 | 159.9 | -56.9 | -9.6 | 0 | 0 | 0 | 119 | | |
| 665 | L | 30.3 | Very low | 29.7 | Very low | 147 Ų | 147 | 156.2 Ų | 156.2 | 77% | 0.77 | 79% | 0.794 | S | S | * | * | | | | 32.5 | 137.3 | 107.9 | -69.8 | 165.9 | 0 | 0 | 0 | 120.6 | | |
| 666 | N | 30.1 | Very low | 30.1 | Very low | 134 Ų | 134 | 156.5 Ų | 156.5 | 72% | 0.717 | 80% | 0.795 | S | S | * | * | | | trans | 73.4 | 92.5 | 144.2 | -60.6 | -18.1 | 0 | 0 | 0 | 120.2 | | |
| 667 | K | 31.3 | Very low | 30.4 | Very low | 212 Ų | 212 | 157.7 Ų | 157.7 | 92% | 0.922 | 79% | 0.787 | S | S | * | * | | | | -166.1 | 174.6 | 112.1 | -102.5 | 157 | -170.4 | 175.6 | 0 | 112.9 | | |
| 668 | K | 31.2 | Very low | 30.6 | Very low | 179 Ų | 179 | 152.2 Ų | 152.2 | 78% | 0.778 | 78% | 0.782 | S | S | * | * | | | trans | -55.7 | 157.1 | -170.2 | -66.9 | -177.3 | 172.6 | -170.4 | 0 | 114.4 | | |
| 669 | P | 29.4 | Very low | 30.7 | Very low | 123 Ų | 123 | 151 Ų | 151 | 80% | 0.799 | 78% | 0.78 | S | S | * | * | | | trans | -78.1 | 127.4 | 165.8 | 32.8 | -31.9 | 0 | 0 | 0 | 111 | | |
| 670 | D | 32.5 | Very low | 30.8 | Very low | 142 Ų | 142 | 153.9 Ų | 153.9 | 76% | 0.759 | 78% | 0.784 | S | S | * | * | | | trans | -137.1 | 107.7 | 163 | -69 | -59.7 | 0 | 0 | 0 | 107.2 | | |
| 671 | E | 30.8 | Very low | 30.4 | Very low | 190 Ų | 190 | 154.2 Ų | 154.2 | 89% | 0.888 | 78% | 0.783 | S | S | * | * | S | Bend | trans | 53 | 145.7 | 158.5 | -55.4 | -171.7 | 146.9 | 0 | 0 | 124.5 | | |
| 672 | D | 31.7 | Very low | 30.5 | Very low | 159 Ų | 159 | 152 Ų | 152 | 85% | 0.85 | 78% | 0.783 | S | S | * | * | | | trans | 64.5 | 120.5 | 160.5 | -76.8 | 6.6 | 0 | 0 | 0 | 124.8 | | |
| 673 | P | 30.1 | Very low | 30.4 | Very low | 119 Ų | 119 | 150.3 Ų | 150.3 | 77% | 0.773 | 78% | 0.779 | S | S | * | * | | | trans | -119.2 | 138.4 | 173.4 | 39.2 | -28 | 0 | 0 | 0 | 116 | | |
| 674 | I | 32.5 | Very low | 30.2 | Very low | 159 Ų | 159 | 147.4 Ų | 147.4 | 82% | 0.815 | 78% | 0.777 | S | S | * | * | | | trans | -143.4 | 117 | 169.8 | -64.3 | -175.5 | 0 | 0 | 0 | 113.4 | | |
| 675 | N | 30.7 | Very low | 30 | Very low | 119 Ų | 119 | 147.8 Ų | 147.8 | 64% | 0.636 | 77% | 0.774 | S | S | * | * | | | trans | 54.4 | 155.7 | 159 | -88.8 | -61.3 | 0 | 0 | 0 | 119.5 | H677 | N675-H677 PolarHBondContact OD1-CE1 2.85Å; N675-H677 PolarHBondContact OD1-ND1 3.44Å |
| 676 | V | 33.7 | Very low | 29.9 | Very low | 135 Ų | 135 | 149.7 Ų | 149.7 | 82% | 0.818 | 77% | 0.771 | S | S | * | * | | | cis | -139.1 | 122.1 | 37.8 | 172.8 | 0 | 0 | 0 | 0 | 113.5 | | |
| 677 | H | 32.6 | Very low | 29.8 | Very low | 156 Ų | 156 | 150.4 Ų | 150.4 | 72% | 0.722 | 77% | 0.77 | S | S | * | * | | | trans | 23.1 | 122.9 | 143.8 | -71.9 | 47.6 | 0 | 0 | 0 | 120.9 | N675 | N675-H677 PolarHBondContact OD1-CE1 2.85Å; N675-H677 PolarHBondContact OD1-ND1 3.44Å |
| 678 | S | 30.4 | Very low | 29.6 | Very low | 103 Ų | 103 | 147.9 Ų | 147.9 | 72% | 0.72 | 76% | 0.756 | S | S | * | * | | | trans | -93 | 146.8 | 150.9 | 65.9 | 0 | 0 | 0 | 0 | 110.9 | | |
| 679 | I | 30.5 | Very low | 29.4 | Very low | 173 Ų | 173 | 143 Ų | 143 | 89% | 0.887 | 75% | 0.748 | S | S | * | * | | | trans | -89 | 114.1 | -178.9 | -60.2 | 175 | 0 | 0 | 0 | 109.6 | | |
| 680 | Q | 29.9 | Very low | 29.1 | Very low | 155 Ų | 155 | 143.1 Ų | 143.1 | 72% | 0.724 | 75% | 0.752 | S | S | * | * | | | trans | -96.8 | 151.8 | 167.3 | -67.7 | -165.2 | 16.2 | 0 | 0 | 111.2 | I682 | Q680-I682 PolarHBondContact O-N 2.85Š|
| 681 | P | 24 | Very low | 29.1 | Very low | 118 Ų | 118 | 144.3 Ų | 144.3 | 77% | 0.766 | 75% | 0.751 | S | S | * | * | | | trans | -67.5 | 124 | 177 | 27.7 | -34.4 | 0 | 0 | 0 | 111.2 | I683 | P681-I683 PolarHBondContact O-N 3.12Å; P681-I683 VanDerWaalsContact O-N 3.12Å |
| 682 | I | 27.9 | Very low | 28.8 | Very low | 152 Ų | 152 | 143.4 Ų | 143.4 | 78% | 0.779 | 75% | 0.752 | S | S | * | * | | | trans | -71.1 | 107.8 | -178.6 | -59.1 | 174.1 | 0 | 0 | 0 | 110 | Q680 I684 | Q680-I682 PolarHBondContact O-N 2.85Å; I682-I684 HydrophobicContact CG2-CG1 3.87Å; I682-I684 PolarHBondContact O-N 2.96Å |
| 683 | I | 25.9 | Very low | 28.8 | Very low | 148 Ų | 148 | 142.6 Ų | 142.6 | 76% | 0.759 | 75% | 0.747 | S | S | * | * | | | trans | -77.7 | 100.2 | 167.7 | -60.1 | 176.4 | 0 | 0 | 0 | 107.9 | P681 Q685 | P681-I683 PolarHBondContact O-N 3.12Å; P681-I683 VanDerWaalsContact O-N 3.12Å; I683-Q685 VanDerWaalsContact C-N 3.29Å; I683-Q685 PolarHBondContact O-N 2.85Å |
| 684 | I | 26.9 | Very low | 28.7 | Very low | 138 Ų | 138 | 145.3 Ų | 145.3 | 71% | 0.708 | 75% | 0.749 | S | S | * | * | | | trans | -75.7 | 84.1 | 174.6 | -55.2 | -179.6 | 0 | 0 | 0 | 109.4 | I682 R686 | I682-I684 HydrophobicContact CG2-CG1 3.87Å; I682-I684 PolarHBondContact O-N 2.96Å; I684-R686 HydrophobicContact CG2-CG 4.29Å; I684-R686 PolarHBondContact O-N 2.71Å; I684-R686 VanDerWaalsContact O-N 3.11Å |
| 685 | Q | 27.5 | Very low | 28.5 | Very low | 142 Ų | 142 | 142.7 Ų | 142.7 | 66% | 0.664 | 75% | 0.745 | S | S | * | * | | | trans | -79.3 | 85.8 | 174.8 | -170.7 | 167.1 | -10 | 0 | 0 | 109.9 | I683 H687 | I683-Q685 VanDerWaalsContact C-N 3.29Å; I683-Q685 PolarHBondContact O-N 2.85Å; Q685-H687 PolarHBondContact O-N 3Å |
| 686 | R | 27.8 | Very low | 28.5 | Very low | 187 Ų | 187 | 145.5 Ų | 145.5 | 71% | 0.706 | 75% | 0.754 | S | S | * | * | | | trans | -65.3 | 96.5 | 173.4 | -79.2 | -165.7 | 178 | -167.2 | 2.4 | 110.5 | I684 Y688 | I684-R686 HydrophobicContact CG2-CG 4.29Å; I684-R686 PolarHBondContact O-N 2.71Å; I684-R686 VanDerWaalsContact O-N 3.11Å; R686-Y688 PolarHBondContact O-N 3.45Å |
| 687 | H | 28.5 | Very low | 28.2 | Very low | 150 Ų | 150 | 144.1 Ų | 144.1 | 69% | 0.694 | 75% | 0.75 | S | S | * | * | | | trans | -69.6 | 104 | 165.9 | -83.3 | -97.6 | 0 | 0 | 0 | 110.2 | Q685 A689 | Q685-H687 PolarHBondContact O-N 3Å; H687-A689 VanDerWaalsContact C-N 3.35Å; H687-A689 PolarHBondContact O-N 2.8Å |
| 688 | Y | 27.4 | Very low | 28 | Very low | 159 Ų | 159 | 143.1 Ų | 143.1 | 62% | 0.624 | 76% | 0.758 | S | S | * | * | | | trans | -71.8 | 94.4 | 159.3 | -73.5 | -67.5 | 0 | 0 | 0 | 108.6 | R686 S690 | R686-Y688 PolarHBondContact O-N 3.45Å; Y688-S690 PolarHBondContact O-N 2.74Å; Y688-S690 VanDerWaalsContact O-N 3.13Å |
| 689 | A | 27 | Very low | 27.9 | Very low | 75 Ų | 75 | 142.5 Ų | 142.5 | 62% | 0.62 | 75% | 0.753 | S | S | * | * | | | trans | -80.6 | 89.5 | -176.2 | 0 | 0 | 0 | 0 | 0 | 111.5 | H687 K691 | H687-A689 VanDerWaalsContact C-N 3.35Å; H687-A689 PolarHBondContact O-N 2.8Å; A689-K691 PolarHBondContact O-N 2.75Å |
| 690 | S | 23.6 | Very low | 27.8 | Very low | 126 Ų | 126 | 141 Ų | 141 | 88% | 0.881 | 75% | 0.747 | S | S | * | * | | | trans | -63.6 | 94.2 | 164.5 | -59.5 | 0 | 0 | 0 | 0 | 110 | Y688 | Y688-S690 PolarHBondContact O-N 2.74Å; Y688-S690 VanDerWaalsContact O-N 3.13Å |
| 691 | K | 31.3 | Very low | 27.8 | Very low | 168 Ų | 168 | 141.4 Ų | 141.4 | 73% | 0.73 | 75% | 0.749 | S | S | * | * | | | trans | -127.1 | 88.5 | 177 | -77.2 | -166.4 | 175.4 | -172.3 | 0 | 112.3 | A689 | A689-K691 PolarHBondContact O-N 2.75Š|
| 692 | N | 25.8 | Very low | 27.9 | Very low | 170 Ų | 170 | 144.4 Ų | 144.4 | 91% | 0.909 | 75% | 0.75 | S | S | * | * | | | trans | -74.7 | 109.5 | 134.8 | -76.2 | -21.1 | 0 | 0 | 0 | 106.1 | | |
| 693 | L | 31.7 | Very low | 27.9 | Very low | 143 Ų | 143 | 145.6 Ų | 145.6 | 75% | 0.749 | 76% | 0.758 | S | S | * | * | | | trans | -162.7 | 125.7 | 166.2 | -112.6 | 163.3 | 0 | 0 | 0 | 111.6 | | |
| 694 | H | 26.7 | Very low | 28 | Very low | 176 Ų | 176 | 141.4 Ų | 141.4 | 82% | 0.815 | 75% | 0.752 | S | S | * | * | | | trans | -64.4 | 152.5 | -176 | -49 | 85.4 | 0 | 0 | 0 | 114.7 | | |
| 695 | S | 28 | Very low | 28 | Very low | 104 Ų | 104 | 143 Ų | 143 | 73% | 0.727 | 76% | 0.756 | S | S | * | * | | | trans | -154.6 | 122.7 | 147.6 | -47.8 | 0 | 0 | 0 | 0 | 111.3 | | |
| 696 | E | 31.6 | Very low | 28 | Very low | 177 Ų | 177 | 142.9 Ų | 142.9 | 83% | 0.827 | 76% | 0.759 | S | S | * | * | | | trans | 52.2 | 93.7 | 138.4 | -68.7 | 151.4 | -176.6 | 0 | 0 | 121.4 | | |
| 697 | S | 27.7 | Very low | 28.2 | Very low | 107 Ų | 107 | 139 Ų | 139 | 75% | 0.748 | 76% | 0.761 | S | S | * | * | | | | 50.7 | 134.7 | 113.1 | -55.8 | 0 | 0 | 0 | 0 | 120.4 | | |
| 698 | P | 27.7 | Very low | 27.9 | Very low | 134 Ų | 134 | 136.8 Ų | 136.8 | 87% | 0.87 | 76% | 0.761 | S | S | * | * | | | | -118.7 | 153.1 | 66.1 | 37.2 | -34.4 | 0 | 0 | 0 | 115.3 | | |
| 699 | S | 28.9 | Very low | 27.9 | Very low | 90 Ų | 90 | 138.5 Ų | 138.5 | 63% | 0.629 | 77% | 0.767 | S | S | * | * | | | trans | -108.3 | 158.6 | 172.3 | 54.1 | 0 | 0 | 0 | 0 | 111.5 | | |
| 700 | N | 28.3 | Very low | 28.2 | Very low | 142 Ų | 142 | 140.2 Ų | 140.2 | 76% | 0.759 | 77% | 0.772 | S | S | * | * | | | trans | 58.5 | 101.8 | 161.5 | -54.5 | -19.5 | 0 | 0 | 0 | 118.1 | | |
| 701 | H | 29.1 | Very low | 28.3 | Very low | 164 Ų | 164 | 138.2 Ų | 138.2 | 76% | 0.759 | 76% | 0.758 | S | S | * | * | | | | -179.4 | 147.5 | 107.4 | -100.6 | -79.8 | 0 | 0 | 0 | 111.4 | | |
| 702 | F | 26.7 | Very low | 28.1 | Very low | 181 Ų | 181 | 138.7 Ų | 138.7 | 79% | 0.794 | 76% | 0.763 | S | S | * | * | | | trans | 61 | 126.9 | -174.6 | -59.6 | -89.1 | 0 | 0 | 0 | 115.1 | | |
| 703 | N | 27.6 | Very low | 28.2 | Very low | 176 Ų | 176 | 139 Ų | 139 | 94% | 0.941 | 76% | 0.759 | S | S | * | * | | | cis | 53.1 | 60.9 | 2.7 | -101.1 | 15.3 | 0 | 0 | 0 | 114.3 | | |
| 704 | G | 28.1 | Very low | 28 | Very low | 61 Ų | 61 | 137.1 Ų | 137.1 | 63% | 0.629 | 76% | 0.757 | S | S | * | * | | | trans | -148.9 | 71.3 | -175 | 0 | 0 | 0 | 0 | 0 | 112.2 | | |
| 705 | H | 27.4 | Very low | 28 | Very low | 172 Ų | 172 | 135.6 Ų | 135.6 | 80% | 0.796 | 75% | 0.754 | S | S | * | * | | | trans | -24.1 | 122.9 | 168.9 | -171.9 | -95.7 | 0 | 0 | 0 | 117 | | |
| 706 | L | 27 | Very low | 28.1 | Very low | 139 Ų | 139 | 137 Ų | 137 | 73% | 0.728 | 75% | 0.753 | S | S | * | * | | | trans | 46.2 | 122.5 | 138.3 | -151.8 | 85.3 | 0 | 0 | 0 | 119.8 | | |
| 707 | S | 31.4 | Very low | 27.9 | Very low | 106 Ų | 106 | 134.7 Ų | 134.7 | 74% | 0.741 | 75% | 0.746 | S | S | * | * | | | | 170.2 | 162.7 | 117.3 | 44.8 | 0 | 0 | 0 | 0 | 112.4 | | |
| 708 | C | 23.2 | Very low | 28 | Very low | 103 Ų | 103 | 135.2 Ų | 135.2 | 70% | 0.696 | 74% | 0.74 | S | S | * | * | | | trans | -90.3 | 150 | 162.4 | -65.2 | 0 | 0 | 0 | 0 | 109.1 | | |
| 709 | Y | 28.2 | Very low | 27.9 | Very low | 195 Ų | 195 | 133.9 Ų | 133.9 | 77% | 0.765 | 73% | 0.73 | S | S | * | * | | | trans | 70.7 | 153.1 | -178.5 | -62.4 | -88.6 | 0 | 0 | 0 | 116.3 | | |
| 710 | P | 31.9 | Very low | 28 | Very low | 111 Ų | 111 | 138.4 Ų | 138.4 | 72% | 0.721 | 74% | 0.738 | S | S | * | * | | | cis | -131.8 | 171.7 | -27.2 | 35.6 | -19.6 | 0 | 0 | 0 | 113.8 | | |
| 711 | S | 26.3 | Very low | 28.2 | Very low | 83 Ų | 83 | 137.1 Ų | 137.1 | 58% | 0.58 | 74% | 0.735 | S | S | * | * | | | trans | -94.5 | 149.7 | 149.7 | 54.1 | 0 | 0 | 0 | 0 | 110 | | |
| 712 | E | 26.9 | Very low | 28.2 | Very low | 179 Ų | 179 | 135.7 Ų | 135.7 | 84% | 0.836 | 73% | 0.733 | S | S | * | * | | | trans | 87.9 | 146.5 | 167.3 | -52.7 | -176.2 | -179.1 | 0 | 0 | 118.6 | | |
| 713 | E | 28.4 | Very low | 28.3 | Very low | 177 Ų | 177 | 133.8 Ų | 133.8 | 83% | 0.827 | 73% | 0.73 | S | S | * | * | | | trans | 56.4 | 87 | 168.9 | -53.9 | -153.8 | 142.9 | 0 | 0 | 122.2 | | |
| 714 | S | 26.8 | Very low | 28.7 | Very low | 102 Ų | 102 | 128.5 Ų | 128.5 | 71% | 0.713 | 72% | 0.718 | S | S | * | * | | | | 99.2 | 136.6 | 117.1 | 85.9 | 0 | 0 | 0 | 0 | 121.2 | | |
| 715 | L | 27.2 | Very low | 28.9 | Very low | 144 Ų | 144 | 132.2 Ų | 132.2 | 75% | 0.754 | 72% | 0.723 | S | S | * | * | | | trans | 61.3 | 108.1 | 144.7 | -60.9 | 165.2 | 0 | 0 | 0 | 121.6 | | |
| 716 | I | 29.9 | Very low | 29.2 | Very low | 135 Ų | 135 | 129.8 Ų | 129.8 | 69% | 0.692 | 72% | 0.716 | S | S | * | * | | | | 79 | 103.2 | 122.3 | -68 | 179.5 | 0 | 0 | 0 | 119 | | |
| 717 | N | 27.5 | Very low | 29.6 | Very low | 127 Ų | 127 | 129 Ų | 129 | 68% | 0.679 | 71% | 0.712 | S | S | * | * | | | | 72.6 | 147.9 | 127.4 | -74.4 | 40.4 | 0 | 0 | 0 | 124.8 | | |
| 718 | D | 28.9 | Very low | 29.7 | Very low | 119 Ų | 119 | 130.9 Ų | 130.9 | 64% | 0.636 | 71% | 0.709 | S | S | * | * | | | trans | 65 | 84.4 | 135.4 | -61.5 | -30.1 | 0 | 0 | 0 | 122.7 | | |
| 719 | T | 26.8 | Very low | 30.2 | Very low | 106 Ų | 106 | 130.8 Ų | 130.8 | 65% | 0.65 | 70% | 0.701 | S | S | * | * | | | | 63.6 | 160.1 | 118.2 | 74 | 0 | 0 | 0 | 0 | 122.4 | | |
| 720 | K | 30.9 | Very low | 30.6 | Very low | 184 Ų | 184 | 128.2 Ų | 128.2 | 80% | 0.8 | 70% | 0.696 | S | S | * | * | | | trans | 83.1 | 135.4 | 144.5 | -82.8 | 164.5 | -170.2 | 161.7 | 0 | 120.7 | | |
| 721 | V | 31.5 | Very low | 30.6 | Very low | 115 Ų | 115 | 127.7 Ų | 127.7 | 70% | 0.697 | 69% | 0.687 | S | S | * | * | | | trans | 93 | 92.4 | 133.1 | 167.9 | 0 | 0 | 0 | 0 | 120.1 | | |
| 722 | L | 28.9 | Very low | 30.8 | Very low | 135 Ų | 135 | 129.5 Ų | 129.5 | 71% | 0.707 | 69% | 0.691 | S | S | * | * | | | | 72.2 | 133.2 | 116.9 | -91.1 | 58.6 | 0 | 0 | 0 | 123.8 | | |
| 723 | N | 29.3 | Very low | 31.1 | Very low | 140 Ų | 140 | 127 Ų | 127 | 75% | 0.749 | 68% | 0.683 | S | S | * | * | | | trans | 85 | 141.1 | 131.8 | -68.7 | -7.7 | 0 | 0 | 0 | 122.6 | | |
| 724 | G | 35.6 | Very low | 31.1 | Very low | 66 Ų | 66 | 122.9 Ų | 122.9 | 68% | 0.68 | 67% | 0.673 | S | S | * | * | | | trans | 137.9 | 50.5 | 179.2 | 0 | 0 | 0 | 0 | 0 | 112.2 | | |
| 725 | L | 34 | Very low | 31.1 | Very low | 139 Ų | 139 | 124.5 Ų | 124.5 | 73% | 0.728 | 67% | 0.673 | S | S | * | * | | | | 59 | 127.7 | 91.5 | -61.7 | 173.2 | 0 | 0 | 0 | 113 | | |
| 726 | N | 32.6 | Very low | 31.1 | Very low | 121 Ų | 121 | 123.9 Ų | 123.9 | 65% | 0.647 | 67% | 0.67 | S | S | * | * | | | cis | -164.8 | 166.9 | 6.7 | -139 | 0.5 | 0 | 0 | 0 | 113 | | |
| 727 | N | 35.3 | Very low | 31 | Very low | 123 Ų | 123 | 123.4 Ų | 123.4 | 66% | 0.658 | 67% | 0.669 | S | S | * | * | | | trans | 68 | 138.2 | 151 | -69.3 | -9.8 | 0 | 0 | 0 | 120.1 | | |
| 728 | H | 33.5 | Very low | 30.8 | Very low | 144 Ų | 144 | 123.6 Ų | 123.6 | 67% | 0.667 | 66% | 0.661 | S | S | * | * | | | cis | -167.5 | 143 | -12.3 | -147.7 | 32.1 | 0 | 0 | 0 | 110.8 | | |
| 729 | N | 33.9 | Very low | 30.7 | Very low | 101 Ų | 101 | 125.7 Ų | 125.7 | 54% | 0.54 | 66% | 0.661 | S | S | . | * | | | trans | 55.5 | 160.1 | 145.5 | -67.8 | 6.5 | 0 | 0 | 0 | 120.2 | | |
| 730 | H | 35.8 | Very low | 30.5 | Very low | 141 Ų | 141 | 125 Ų | 125 | 65% | 0.653 | 65% | 0.653 | S | S | * | * | | | cis | -171.1 | 162.4 | -16.2 | -100.4 | -22.7 | 0 | 0 | 0 | 104.7 | | |
| 731 | N | 33.4 | Very low | 30.3 | Very low | 101 Ų | 101 | 126.1 Ų | 126.1 | 54% | 0.54 | 65% | 0.654 | S | S | . | * | | | cis | -163.7 | 160.5 | 0.2 | -115.3 | -17 | 0 | 0 | 0 | 108.8 | | |
| 732 | N | 30.3 | Very low | 29.9 | Very low | 121 Ų | 121 | 124.1 Ų | 124.1 | 65% | 0.647 | 65% | 0.645 | S | S | * | * | | | trans | 43.9 | 141 | 134 | -54.7 | -6.2 | 0 | 0 | 0 | 120.6 | | |
| 733 | N | 31.9 | Very low | 29.7 | Very low | 127 Ų | 127 | 126 Ų | 126 | 68% | 0.679 | 65% | 0.651 | S | S | * | * | | | cis | -155 | 161.1 | 5.5 | -99.7 | -12.5 | 0 | 0 | 0 | 107.2 | | |
| 734 | S | 28.5 | Very low | 29.5 | Very low | 89 Ų | 89 | 124.4 Ų | 124.4 | 62% | 0.622 | 65% | 0.65 | S | S | * | * | | | | 59 | 137.4 | 62.1 | 124.3 | 0 | 0 | 0 | 0 | 113.3 | | |
| 735 | I | 26.9 | Very low | 29.2 | Very low | 137 Ų | 137 | 128.9 Ų | 128.9 | 70% | 0.703 | 66% | 0.658 | S | S | * | * | | | cis | -161.1 | 148.7 | -6.2 | -132.3 | 165.1 | 0 | 0 | 0 | 108.2 | | |
| 736 | N | 27.2 | Very low | 28.9 | Very low | 130 Ų | 130 | 127.2 Ų | 127.2 | 70% | 0.695 | 66% | 0.655 | S | S | * | * | | | trans | 54.6 | -171.2 | 175.9 | -46.5 | -7.8 | 0 | 0 | 0 | 114.7 | | |
| 737 | D | 28.2 | Very low | 28.6 | Very low | 125 Ų | 125 | 130.8 Ų | 130.8 | 67% | 0.668 | 66% | 0.661 | S | S | * | * | | | cis | -143.8 | 144.3 | 0.2 | -118.3 | -45.4 | 0 | 0 | 0 | 111.4 | | |
| 738 | Y | 23.8 | Very low | 28.1 | Very low | 132 Ų | 132 | 129.7 Ų | 129.7 | 52% | 0.518 | 66% | 0.655 | S | S | . | * | | | trans | 30.1 | 150.5 | 135.3 | -105.8 | -76.4 | 0 | 0 | 0 | 123.9 | N804 | Y738-N804 PolarHBondContact OH-ND2 2.98Š|
| 739 | Y | 25.7 | Very low | 27.8 | Very low | 163 Ų | 163 | 130.9 Ų | 130.9 | 64% | 0.639 | 66% | 0.655 | S | S | * | * | | | trans | 82.1 | 157.6 | 164.3 | -76.9 | -85 | 0 | 0 | 0 | 120.2 | H800 | Y739-H800 AromaticContact CD1-CE1 3.54Å; Y739-H800 AromaticContact CE1-CE1 3.27Å; Y739-H800 WeakPolarHBondContact CE1-CE1 3.34Å; Y739-H800 AromaticContact CE1-ND1 3.3Å; Y739-H800 VanDerWaalsContact CE1-ND1 3.3Å; Y739-H800 WeakPolarHBondContact CE1-ND1 3.21Å; Y739-H800 AromaticContact CZ-CE1 3.95Å |
| 740 | N | 23.4 | Very low | 27.4 | Very low | 90 Ų | 90 | 130 Ų | 130 | 48% | 0.481 | 65% | 0.65 | S | S | . | * | | | trans | -53.7 | 152.9 | -178.4 | -35.7 | -62 | 0 | 0 | 0 | 113.2 | H800 | N740-H800 PolarHBondContact ND2-CD2 2.93Å; N740-H800 VanDerWaalsContact ND2-CD2 3.31Å; N740-H800 PolarHBondContact ND2-NE2 3.49Å; N740-H800 PolarHBondContact OD1-CD2 3.33Å; N740-H800 PolarHBondContact OD1-NE2 3.48Å |
| 741 | Y | 26.4 | Very low | 26.8 | Very low | 208 Ų | 208 | 127.6 Ų | 127.6 | 82% | 0.816 | 64% | 0.636 | S | S | * | * | | | | -156.9 | 159.2 | 98.3 | -128.5 | -106.3 | 0 | 0 | 0 | 114.7 | | |
| 742 | S | 23.2 | Very low | 26.6 | Very low | 74 Ų | 74 | 126.3 Ų | 126.3 | 52% | 0.517 | 63% | 0.629 | S | S | . | * | | | trans | -59.1 | 165.5 | 169.5 | -40.2 | 0 | 0 | 0 | 0 | 113.3 | | |
| 743 | Q | 25.6 | Very low | 26.6 | Very low | 175 Ų | 175 | 123 Ų | 123 | 82% | 0.818 | 62% | 0.624 | S | S | * | * | | | trans | 72.1 | 146.1 | 157 | -62.7 | 153.7 | 9.5 | 0 | 0 | 115.6 | | |
| 744 | S | 24.2 | Very low | 26.4 | Very low | 106 Ų | 106 | 123.5 Ų | 123.5 | 74% | 0.741 | 62% | 0.617 | S | S | * | * | | | cis | -164.3 | 165.9 | -11.6 | 44.6 | 0 | 0 | 0 | 0 | 110.9 | | |
| 745 | L | 29.7 | Very low | 26.4 | Very low | 159 Ų | 159 | 126.1 Ų | 126.1 | 83% | 0.832 | 62% | 0.624 | S | S | * | * | | | trans | -37.3 | 144 | 164.6 | -73.1 | 141.9 | 0 | 0 | 0 | 113.4 | | |
| 746 | P | 28.5 | Very low | 26.5 | Very low | 105 Ų | 105 | 125.2 Ų | 125.2 | 68% | 0.682 | 63% | 0.63 | S | S | * | * | | | | -137.6 | 139.8 | 102.5 | 35.7 | -24.4 | 0 | 0 | 0 | 115.5 | | |
| 747 | Y | 25.2 | Very low | 26.6 | Very low | 195 Ų | 195 | 127.5 Ų | 127.5 | 77% | 0.765 | 64% | 0.639 | S | S | * | * | | | | 36.7 | 145 | 124 | -59.6 | -74.4 | 0 | 0 | 0 | 120.4 | | |
| 748 | N | 25.8 | Very low | 26.5 | Very low | 100 Ų | 100 | 128.6 Ų | 128.6 | 54% | 0.535 | 65% | 0.645 | S | S | . | * | | | cis | -169.6 | 154.7 | 18.6 | -129.6 | -19.9 | 0 | 0 | 0 | 115.5 | | |
| 749 | Y | 25.6 | Very low | 26.6 | Very low | 169 Ų | 169 | 129.3 Ų | 129.3 | 66% | 0.663 | 66% | 0.657 | S | S | * | * | | | trans | 60.3 | 155.1 | 143.8 | -68.9 | -33.5 | 0 | 0 | 0 | 122.8 | | |
| 750 | N | 25.3 | Very low | 26.6 | Very low | 83 Ų | 83 | 126 Ų | 126 | 44% | 0.444 | 65% | 0.654 | S | S | . | * | | | cis | -144.1 | 157 | -0.2 | -131.9 | -25.4 | 0 | 0 | 0 | 118.7 | Y935 N936 | N750-Y935 CarbonylContact O-C 3.52Å; N750-Y935 VanDerWaalsContact O-CA 3.27Å; N750-Y935 WeakPolarHBondContact O-CA 3.39Å; N750-Y935 WeakPolarHBondContact O-CD1 3.41Å; N750-N936 PolarHBondContact O-N 3.14Å |
| 751 | Y | 25.1 | Very low | 26.8 | Very low | 90 Ų | 90 | 130.4 Ų | 130.4 | 35% | 0.353 | 67% | 0.669 | S | S | . | * | B | Isolated β-bridge | trans | -86.5 | 169.6 | -163.2 | 173.6 | -103.2 | 0 | 0 | 0 | 116.6 | Y754 E934 Y935 N936 | Y751-Y754 PolarHBondContact OH-OH 3.4Å; Y751-E934 VanDerWaalsContact CA-O 3.3Å; Y751-E934 WeakPolarHBondContact CA-O 3.4Å; Y751-E934 WeakPolarHBondContact CD2-O 3.32Å; Y751-Y935 VanDerWaalsContact C-C 3.42Å; Y751-N936 CarbonylContact C-O 3.58Å; Y751-N936 CarbonylContact O-C 3.18Å; Y751-N936 PolarHBondContact O-N 2.57Å |
| 752 | N | 28.4 | Very low | 26.9 | Very low | 75 Ų | 75 | 129 Ų | 129 | 40% | 0.401 | 68% | 0.675 | S | S | . | * | | | trans | 115.2 | 35.5 | 164.6 | -56.3 | -75.3 | 0 | 0 | 0 | 121.9 | Y754 E934 Y935 N936 | N752-Y754 HydrophobicContact CB-CD2 4.23Å; N752-Y754 HydrophobicContact CB-CE2 3.9Å; N752-Y754 WeakPolarHBondContact O-CD2 3.49Å; N752-E934 PolarHBondContact N-O 3.13Å; N752-Y935 CarbonylContact C-O 3.58Å; N752-Y935 PolarHBondContact N-O 3.38Å; N752-N936 WeakPolarHBondContact CB-O 3.23Å |
| 753 | G | 29.6 | Very low | 27.1 | Very low | 51 Ų | 51 | 129.1 Ų | 129.1 | 53% | 0.526 | 68% | 0.676 | S | S | . | * | | | trans | -83.8 | -33.4 | -175.6 | 0 | 0 | 0 | 0 | 0 | 118.6 | Y935 | G753-Y935 VanDerWaalsContact CA-O 3.26Å; G753-Y935 WeakPolarHBondContact CA-O 3.43Å; G753-Y935 PolarHBondContact N-O 2.88Å |
| 754 | Y | 28.9 | Very low | 27.2 | Very low | 138 Ų | 138 | 129.4 Ų | 129.4 | 54% | 0.541 | 67% | 0.669 | S | S | . | * | | | trans | 58.8 | 130.3 | 163.9 | -75.5 | -71.2 | 0 | 0 | 0 | 124.1 | Y751 N752 | Y751-Y754 PolarHBondContact OH-OH 3.4Å; N752-Y754 HydrophobicContact CB-CD2 4.23Å; N752-Y754 HydrophobicContact CB-CE2 3.9Å; N752-Y754 WeakPolarHBondContact O-CD2 3.49Å |
| 755 | N | 27.7 | Very low | 27.4 | Very low | 143 Ų | 143 | 132 Ų | 132 | 77% | 0.765 | 67% | 0.673 | S | S | * | * | | | trans | 66 | 104.6 | 141.7 | -61.4 | -27.9 | 0 | 0 | 0 | 120.5 | | |
| 756 | S | 30.4 | Very low | 27.3 | Very low | 118 Ų | 118 | 135.2 Ų | 135.2 | 83% | 0.825 | 68% | 0.676 | S | S | * | * | | | | -169.8 | 102.7 | 88.7 | -164.9 | 0 | 0 | 0 | 0 | 113.4 | | |
| 757 | M | 27.9 | Very low | 27.1 | Very low | 179 Ų | 179 | 140.9 Ų | 140.9 | 88% | 0.882 | 68% | 0.684 | S | S | * | * | | | trans | 23.4 | 119.8 | 155 | -124.8 | 113.5 | 176 | 0 | 0 | 120.3 | | |
| 758 | N | 27.4 | Very low | 27.3 | Very low | 148 Ų | 148 | 140.6 Ų | 140.6 | 79% | 0.791 | 69% | 0.686 | S | S | * | * | | | trans | -59.3 | -179.3 | 144.1 | -84.3 | -49.6 | 0 | 0 | 0 | 111.1 | | |
| 759 | D | 25.5 | Very low | 27.5 | Very low | 146 Ų | 146 | 143.8 Ų | 143.8 | 78% | 0.781 | 70% | 0.701 | S | S | * | * | | | trans | 71.8 | 84.4 | -178.7 | -61.1 | -30.4 | 0 | 0 | 0 | 116.9 | | |
| 760 | T | 25.1 | Very low | 27.5 | Very low | 95 Ų | 95 | 143.4 Ų | 143.4 | 58% | 0.583 | 71% | 0.711 | S | S | * | * | S | Bend | | 178.5 | 80.7 | 122.3 | 30.2 | 0 | 0 | 0 | 0 | 113.4 | | |
| 761 | K | 27.2 | Very low | 27.7 | Very low | 181 Ų | 181 | 148 Ų | 148 | 79% | 0.787 | 73% | 0.729 | S | S | * | * | S | Bend | trans | -150.1 | -37.6 | 159.6 | -111.4 | 150.7 | -172.5 | 176.9 | 0 | 115.9 | S763 R764 | K761-S763 PolarHBondContact O-N 3.18Å; K761-S763 VanDerWaalsContact O-N 3.08Å; K761-R764 PolarHBondContact O-N 3.16Å |
| 762 | L | 28.7 | Very low | 27.8 | Very low | 179 Ų | 179 | 153.3 Ų | 153.3 | 94% | 0.937 | 75% | 0.754 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -61.8 | -18.4 | 176.9 | -121.8 | 70.7 | 0 | 0 | 0 | 114.1 | | |
| 763 | S | 27.9 | Very low | 28 | Very low | 77 Ų | 77 | 158.9 Ų | 158.9 | 54% | 0.538 | 78% | 0.778 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -92.5 | 1.5 | -179.3 | 55.5 | 0 | 0 | 0 | 0 | 115.6 | K761 | K761-S763 PolarHBondContact O-N 3.18Å; K761-S763 VanDerWaalsContact O-N 3.08Å |
| 764 | R | 27.6 | Very low | 27.8 | Very low | 180 Ų | 180 | 161.5 Ų | 161.5 | 68% | 0.679 | 79% | 0.786 | S | S | * | * | S | Bend | trans | -96.4 | -10.7 | -173.4 | -83.5 | -173.1 | 177.7 | 169.8 | 4.5 | 117 | K761 | K761-R764 PolarHBondContact O-N 3.16Š|
| 765 | I | 29.1 | Very low | 27.7 | Very low | 160 Ų | 160 | 162.5 Ų | 162.5 | 82% | 0.821 | 80% | 0.801 | S | S | * | * | S | Bend | trans | -87.1 | -28.2 | 175.4 | -63.3 | -179.2 | 0 | 0 | 0 | 111.7 | R767 | I765-R767 VanDerWaalsContact C-N 3.26Å; I765-R767 PolarHBondContact O-N 3.01Å |
| 766 | Y | 25.6 | Very low | 27.9 | Very low | 228 Ų | 228 | 167.5 Ų | 167.5 | 89% | 0.894 | 81% | 0.809 | S | S | * | * | S | Bend | trans | -78.9 | 10.5 | 177.3 | -93.5 | -78.7 | 0 | 0 | 0 | 115.9 | | |
| 767 | R | 26 | Very low | 27.8 | Very low | 224 Ų | 224 | 170 Ų | 170 | 85% | 0.845 | 81% | 0.811 | S | S | * | * | S | Bend | trans | -129.9 | 46.1 | -178.4 | -157.1 | 177.5 | -78.1 | -167.2 | -2.8 | 113.8 | I765 | I765-R767 VanDerWaalsContact C-N 3.26Å; I765-R767 PolarHBondContact O-N 3.01Å |
| 768 | K | 28 | Very low | 28.1 | Very low | 189 Ų | 189 | 168.1 Ų | 168.1 | 82% | 0.822 | 80% | 0.804 | S | S | * | * | S | Bend | trans | -140.8 | 15.7 | 175.9 | -118.2 | -179.5 | -174.4 | -179.4 | 0 | 119 | | |
| 769 | I | 30.3 | Very low | 28.2 | Very low | 166 Ų | 166 | 166.8 Ų | 166.8 | 85% | 0.851 | 80% | 0.803 | S | S | * | * | S | Bend | trans | -130.6 | 88.2 | 153.1 | -62.4 | 90.5 | 0 | 0 | 0 | 108.3 | | |
| 770 | N | 26.2 | Very low | 28.4 | Very low | 161 Ų | 161 | 171.3 Ų | 171.3 | 86% | 0.861 | 81% | 0.809 | S | S | * | * | | | trans | -152.8 | 42.9 | 166 | -131.4 | -10.6 | 0 | 0 | 0 | 113.4 | | |
| 771 | H | 29.8 | Very low | 28.7 | Very low | 179 Ų | 179 | 178.1 Ų | 178.1 | 83% | 0.829 | 82% | 0.824 | S | S | * | * | S | Bend | trans | -135.4 | 125.9 | 166.8 | -80.9 | -34.6 | 0 | 0 | 0 | 109.6 | | |
| 772 | K | 27.7 | Very low | 28.9 | Very low | 203 Ų | 203 | 175.1 Ų | 175.1 | 88% | 0.883 | 82% | 0.823 | S | S | * | * | S | Bend | trans | 71.2 | 84 | -179.3 | -49 | 168.1 | -175.5 | 169.5 | 0 | 115.9 | | |
| 773 | Q | 31.8 | Very low | 28.9 | Very low | 191 Ų | 191 | 177.8 Ų | 177.8 | 89% | 0.893 | 82% | 0.821 | S | S | * | * | | | | -162.7 | 135.6 | 113.9 | -75.1 | -140 | 8.5 | 0 | 0 | 109.8 | | |
| 774 | P | 25.7 | Very low | 29 | Very low | 107 Ų | 107 | 179.7 Ų | 179.7 | 70% | 0.695 | 83% | 0.834 | S | S | * | * | | | trans | -89.8 | 159.5 | 170.2 | 35.6 | -33 | 0 | 0 | 0 | 112.5 | | |
| 775 | N | 27 | Very low | 28.9 | Very low | 159 Ų | 159 | 177.1 Ų | 177.1 | 85% | 0.85 | 83% | 0.833 | S | S | * | * | | | trans | 64.5 | 80.6 | 164.2 | -59.5 | -7.5 | 0 | 0 | 0 | 118.3 | | |
| 776 | R | 30.8 | Very low | 29 | Very low | 247 Ų | 247 | 176.7 Ų | 176.7 | 93% | 0.932 | 83% | 0.831 | S | S | * | * | | | trans | -152.9 | 118.7 | 141.9 | -137.6 | 173.5 | -175.5 | 178.7 | 0.2 | 112.4 | | |
| 777 | I | 29 | Very low | 29.1 | Very low | 170 Ų | 170 | 173.5 Ų | 173.5 | 87% | 0.872 | 82% | 0.824 | S | S | * | * | P | Polyproline II helix | trans | -82.1 | 135.8 | 176.6 | -63.3 | 168.1 | 0 | 0 | 0 | 109.2 | | |
| 778 | L | 33.2 | Very low | 29.2 | Very low | 140 Ų | 140 | 169.2 Ų | 169.2 | 73% | 0.733 | 82% | 0.818 | S | S | * | * | P | Polyproline II helix | trans | -97.4 | 135.1 | 171.3 | -72 | 168.5 | 0 | 0 | 0 | 110 | | |
| 779 | P | 30.6 | Very low | 29.3 | Very low | 120 Ų | 120 | 165.3 Ų | 165.3 | 78% | 0.779 | 81% | 0.81 | S | S | * | * | P | Polyproline II helix | trans | -75.5 | 127.3 | 171.3 | 30.6 | -32.1 | 0 | 0 | 0 | 110.5 | | |
| 780 | R | 28.8 | Very low | 29.1 | Very low | 242 Ų | 242 | 167.2 Ų | 167.2 | 91% | 0.913 | 81% | 0.808 | S | S | * | * | P | Polyproline II helix | trans | -73.3 | 145.8 | 169.5 | -71.6 | 179.3 | 172.7 | 168.2 | -3.1 | 110.1 | | |
| 781 | R | 32.1 | Very low | 29.2 | Very low | 238 Ų | 238 | 166 Ų | 166 | 90% | 0.898 | 80% | 0.802 | S | S | * | * | P | Polyproline II helix | trans | -74.1 | 141.6 | 162.1 | -76.7 | 179.5 | 171.3 | 171 | -5.2 | 108.7 | | |
| 782 | P | 30.5 | Very low | 29.1 | Very low | 117 Ų | 117 | 164 Ų | 164 | 76% | 0.76 | 80% | 0.797 | S | S | * | * | P | Polyproline II helix | trans | -69.3 | 146.3 | 166.3 | 31 | -33.7 | 0 | 0 | 0 | 110.2 | | |
| 783 | R | 28.4 | Very low | 29.2 | Very low | 235 Ų | 235 | 162.2 Ų | 162.2 | 89% | 0.887 | 79% | 0.792 | S | S | * | * | | | trans | -107.8 | 129.6 | 161.2 | -76 | -174.3 | 169.5 | -152.7 | -2.7 | 107.2 | | |
| 784 | S | 30.4 | Very low | 28.9 | Very low | 117 Ų | 117 | 160.7 Ų | 160.7 | 82% | 0.818 | 79% | 0.79 | S | S | * | * | | | trans | -75.5 | 140.6 | 171.4 | 47.6 | 0 | 0 | 0 | 0 | 110.6 | | |
| 785 | L | 27.1 | Very low | 29.2 | Very low | 126 Ų | 126 | 163.6 Ų | 163.6 | 66% | 0.66 | 79% | 0.793 | S | S | * | * | | | trans | -58.8 | 142.7 | 177.4 | -76.7 | 66.3 | 0 | 0 | 0 | 112 | Q787 | L785-Q787 HydrophobicContact CD2-CG 4.47Š|
| 786 | I | 30.7 | Very low | 29.2 | Very low | 152 Ų | 152 | 164 Ų | 164 | 78% | 0.779 | 79% | 0.79 | S | S | * | * | | | trans | -120.5 | 136.3 | 142.5 | -66.3 | 179.6 | 0 | 0 | 0 | 105.6 | | |
| 787 | Q | 26.9 | Very low | 29.1 | Very low | 161 Ų | 161 | 158.7 Ų | 158.7 | 75% | 0.752 | 78% | 0.78 | S | S | * | * | | | trans | -100.4 | 92.1 | -173.9 | -65.4 | 175.7 | -85.4 | 0 | 0 | 110.8 | L785 T789 | L785-Q787 HydrophobicContact CD2-CG 4.47Å; Q787-T789 PolarHBondContact O-N 2.92Å |
| 788 | D | 28.5 | Very low | 29 | Very low | 133 Ų | 133 | 158.1 Ų | 158.1 | 71% | 0.711 | 78% | 0.778 | S | S | * | * | | | trans | -89.2 | 92.3 | 167.5 | -70.5 | -41.8 | 0 | 0 | 0 | 109.9 | Y790 | D788-Y790 PolarHBondContact O-N 3.5Š|
| 789 | T | 30.5 | Very low | 28.7 | Very low | 108 Ų | 108 | 158.8 Ų | 158.8 | 66% | 0.663 | 78% | 0.782 | S | S | * | * | | | trans | -71.9 | 96.7 | 179.4 | -56 | 0 | 0 | 0 | 0 | 110.7 | Q787 N791 | Q787-T789 PolarHBondContact O-N 2.92Å; T789-N791 VanDerWaalsContact C-N 3.28Å; T789-N791 PolarHBondContact O-N 3.19Å |
| 790 | Y | 26.2 | Very low | 28.5 | Very low | 206 Ų | 206 | 157.4 Ų | 157.4 | 81% | 0.808 | 77% | 0.765 | S | S | * | * | | | trans | -65.6 | 77.5 | 173.7 | -90.9 | -92 | 0 | 0 | 0 | 112.9 | D788 N792 | D788-Y790 PolarHBondContact O-N 3.5Å; Y790-N792 PolarHBondContact O-N 3.48Å; Y790-N792 VanDerWaalsContact O-N 3.15Å |
| 791 | N | 28.9 | Very low | 28.5 | Very low | 136 Ų | 136 | 154.3 Ų | 154.3 | 73% | 0.727 | 76% | 0.761 | S | S | * | * | | | trans | -82.3 | 82.8 | 166.5 | -88 | -4.8 | 0 | 0 | 0 | 110.6 | T789 H793 | T789-N791 VanDerWaalsContact C-N 3.28Å; T789-N791 PolarHBondContact O-N 3.19Å; N791-H793 PolarHBondContact O-N 3.44Å; N791-H793 VanDerWaalsContact O-N 3.08Å |
| 792 | N | 27 | Very low | 28.4 | Very low | 137 Ų | 137 | 150.2 Ų | 150.2 | 73% | 0.733 | 76% | 0.756 | S | S | * | * | | | trans | -60.3 | 106 | 162.4 | -84.2 | -30.1 | 0 | 0 | 0 | 109.6 | Y790 | Y790-N792 PolarHBondContact O-N 3.48Å; Y790-N792 VanDerWaalsContact O-N 3.15Å |
| 793 | H | 29.7 | Very low | 28.1 | Very low | 164 Ų | 164 | 148.9 Ų | 148.9 | 76% | 0.759 | 75% | 0.749 | S | S | * | * | | | trans | -132.5 | 97 | 165.7 | -95.3 | 47.4 | 0 | 0 | 0 | 109.8 | N791 H795 | N791-H793 PolarHBondContact O-N 3.44Å; N791-H793 VanDerWaalsContact O-N 3.08Å; H793-H795 PolarHBondContact O-N 3.31Å |
| 794 | N | 25.8 | Very low | 27.9 | Very low | 160 Ų | 160 | 143.5 Ų | 143.5 | 86% | 0.856 | 74% | 0.738 | S | S | * | * | | | trans | -71.5 | 103.2 | 170.9 | -75.5 | -41.3 | 0 | 0 | 0 | 109.6 | | |
| 795 | H | 31.4 | Very low | 27.9 | Very low | 167 Ų | 167 | 146.3 Ų | 146.3 | 77% | 0.773 | 74% | 0.738 | S | S | * | * | | | trans | -142.6 | 91 | 166 | -101.7 | -75.5 | 0 | 0 | 0 | 113.6 | H793 | H793-H795 PolarHBondContact O-N 3.31Š|
| 796 | H | 26.4 | Very low | 28.1 | Very low | 167 Ų | 167 | 147.9 Ų | 147.9 | 77% | 0.773 | 75% | 0.746 | S | S | * | * | | | | 71.3 | 155.1 | 123.8 | -125.8 | -111 | 0 | 0 | 0 | 121.3 | | |
| 797 | L | 30.3 | Very low | 27.9 | Very low | 137 Ų | 137 | 148.9 Ų | 148.9 | 72% | 0.717 | 75% | 0.747 | S | S | * | * | | | trans | 69.3 | 93.1 | 165.1 | -73.4 | 146 | 0 | 0 | 0 | 118.6 | | |
| 798 | N | 25.2 | Very low | 27.9 | Very low | 158 Ų | 158 | 150.9 Ų | 150.9 | 85% | 0.845 | 75% | 0.749 | S | S | * | * | | | | -36.3 | 134.1 | 127.8 | -87.5 | -34.5 | 0 | 0 | 0 | 111.2 | | |
| 799 | L | 28.1 | Very low | 28 | Very low | 153 Ų | 153 | 152.8 Ų | 152.8 | 80% | 0.801 | 75% | 0.752 | S | S | * | * | | | trans | -156.3 | 131.5 | 137.4 | -115.9 | 160.9 | 0 | 0 | 0 | 112.1 | Q801 | L799-Q801 PolarHBondContact O-N 2.82Š|
| 800 | H | 26.6 | Very low | 28 | Very low | 92 Ų | 92 | 155.7 Ų | 155.7 | 43% | 0.426 | 76% | 0.757 | S | S | . | * | | | trans | -61.7 | 122.7 | 173.4 | -115.2 | -93.2 | 0 | 0 | 0 | 111.7 | Y739 N740 | Y739-H800 AromaticContact CD1-CE1 3.54Å; Y739-H800 AromaticContact CE1-CE1 3.27Å; Y739-H800 WeakPolarHBondContact CE1-CE1 3.34Å; Y739-H800 AromaticContact CE1-ND1 3.3Å; Y739-H800 VanDerWaalsContact CE1-ND1 3.3Å; Y739-H800 WeakPolarHBondContact CE1-ND1 3.21Å; Y739-H800 AromaticContact CZ-CE1 3.95Å; N740-H800 PolarHBondContact ND2-CD2 2.93Å; N740-H800 VanDerWaalsContact ND2-CD2 3.31Å; N740-H800 PolarHBondContact ND2-NE2 3.49Å; N740-H800 PolarHBondContact OD1-CD2 3.33Å; N740-H800 PolarHBondContact OD1-NE2 3.48Å |
| 801 | Q | 27.9 | Very low | 28 | Very low | 177 Ų | 177 | 148.5 Ų | 148.5 | 83% | 0.827 | 75% | 0.746 | S | S | * | * | | | trans | -172.6 | 158.2 | 145.6 | -104.4 | 149 | 29.4 | 0 | 0 | 111.8 | L799 | L799-Q801 PolarHBondContact O-N 2.82Š|
| 802 | L | 29.8 | Very low | 28 | Very low | 152 Ų | 152 | 150 Ų | 150 | 80% | 0.796 | 75% | 0.748 | S | S | * | * | | | trans | 65 | 41.5 | 166.5 | -66.4 | 160.4 | 0 | 0 | 0 | 117.8 | | |
| 803 | S | 24.2 | Very low | 27.9 | Very low | 88 Ų | 88 | 148.1 Ų | 148.1 | 62% | 0.615 | 75% | 0.746 | S | S | * | * | S | Bend | trans | -99.5 | 76.8 | 137.8 | 66.1 | 0 | 0 | 0 | 0 | 109.3 | | |
| 804 | N | 25.2 | Very low | 27.8 | Very low | 123 Ų | 123 | 150 Ų | 150 | 66% | 0.658 | 75% | 0.748 | S | S | * | * | | | trans | 173.9 | 108.9 | 159.9 | -94 | -13.4 | 0 | 0 | 0 | 110.6 | Y738 | Y738-N804 PolarHBondContact OH-ND2 2.98Š|
| 805 | E | 29.2 | Very low | 27.8 | Very low | 175 Ų | 175 | 148.8 Ų | 148.8 | 82% | 0.818 | 74% | 0.741 | S | S | * | * | | | trans | -150.8 | 141.5 | 146.8 | -133.3 | 170.5 | -158.3 | 0 | 0 | 109.6 | | |
| 806 | L | 31.7 | Very low | 27.5 | Very low | 160 Ų | 160 | 147.7 Ų | 147.7 | 84% | 0.838 | 74% | 0.741 | S | S | * | * | | | trans | 60.5 | 57.3 | 171.7 | -52.7 | -177.2 | 0 | 0 | 0 | 118.1 | | |
| 807 | H | 25.8 | Very low | 27.7 | Very low | 173 Ų | 173 | 147 Ų | 147 | 80% | 0.801 | 74% | 0.742 | S | S | * | * | | | trans | -71.3 | 152.4 | 138.8 | -138 | 106.3 | 0 | 0 | 0 | 108.9 | | |
| 808 | Y | 27.4 | Very low | 27.4 | Very low | 202 Ų | 202 | 150 Ų | 150 | 79% | 0.792 | 75% | 0.745 | S | S | * | * | | | trans | 68.8 | 134.9 | -173.5 | -58.5 | -93.6 | 0 | 0 | 0 | 114.3 | | |
| 809 | K | 32 | Very low | 27.5 | Very low | 174 Ų | 174 | 148.1 Ų | 148.1 | 76% | 0.757 | 74% | 0.735 | S | S | * | * | | | cis | -147.1 | 159.6 | 21.6 | -72.3 | -175.4 | 178.3 | 179.1 | 0 | 111.5 | | |
| 810 | H | 29.6 | Very low | 27.7 | Very low | 168 Ų | 168 | 147.3 Ų | 147.3 | 78% | 0.778 | 73% | 0.731 | S | S | * | * | | | trans | 41.8 | 135.6 | 140.1 | -60.7 | 46 | 0 | 0 | 0 | 118.7 | | |
| 811 | G | 25.5 | Very low | 27.7 | Very low | 56 Ų | 56 | 149.2 Ų | 149.2 | 58% | 0.577 | 74% | 0.744 | S | S | * | * | | | cis | 117.1 | 141 | 25.2 | 0 | 0 | 0 | 0 | 0 | 109.4 | | |
| 812 | H | 30.2 | Very low | 28 | Very low | 166 Ų | 166 | 147.9 Ų | 147.9 | 77% | 0.769 | 74% | 0.741 | S | S | * | * | | | trans | 69.8 | 133.9 | -168.3 | -37 | -70.2 | 0 | 0 | 0 | 112.5 | | |
| 813 | S | 24.2 | Very low | 27.8 | Very low | 99 Ų | 99 | 146.1 Ų | 146.1 | 69% | 0.692 | 73% | 0.732 | S | S | * | * | | | cis | 80.8 | 152.5 | 24.9 | -157.3 | 0 | 0 | 0 | 0 | 115.2 | | |
| 814 | Y | 28.5 | Very low | 28.4 | Very low | 204 Ų | 204 | 150.9 Ų | 150.9 | 80% | 0.8 | 74% | 0.744 | S | S | * | * | | | trans | 74.6 | 114.5 | -159.7 | -52 | -72 | 0 | 0 | 0 | 113.5 | | |
| 815 | N | 24.8 | Very low | 28.5 | Very low | 133 Ų | 133 | 153 Ų | 153 | 71% | 0.711 | 75% | 0.75 | S | S | * | * | | | cis | 81.6 | 125.6 | 46.6 | -79.3 | -9.4 | 0 | 0 | 0 | 115.7 | | |
| 816 | N | 26 | Very low | 28.5 | Very low | 144 Ų | 144 | 150.2 Ų | 150.2 | 77% | 0.77 | 75% | 0.749 | S | S | * | * | | | trans | 73.2 | 167.4 | 154.6 | -57.8 | -17.1 | 0 | 0 | 0 | 119 | | |
| 817 | I | 28.8 | Very low | 28.2 | Very low | 153 Ų | 153 | 147.2 Ų | 147.2 | 79% | 0.785 | 74% | 0.741 | S | S | * | * | | | trans | 73.2 | 85 | 169 | -47.5 | -176.6 | 0 | 0 | 0 | 112.5 | | |
| 818 | Y | 24.6 | Very low | 28.4 | Very low | 200 Ų | 200 | 143.7 Ų | 143.7 | 78% | 0.784 | 74% | 0.736 | S | S | * | * | | | | 95.6 | 144.8 | 73.7 | -103.2 | -120.5 | 0 | 0 | 0 | 112.5 | | |
| 819 | D | 26.7 | Very low | 28.5 | Very low | 118 Ų | 118 | 144.2 Ų | 144.2 | 63% | 0.631 | 74% | 0.738 | S | S | * | * | | | trans | 29.8 | 122.3 | 152.4 | -54.2 | -4.9 | 0 | 0 | 0 | 119.8 | | |
| 820 | N | 32.5 | Very low | 28.3 | Very low | 136 Ų | 136 | 142 Ų | 142 | 73% | 0.727 | 73% | 0.734 | S | S | * | * | | | | -169.2 | 143.4 | 94.5 | -91.3 | -79 | 0 | 0 | 0 | 106.6 | | |
| 821 | L | 27.2 | Very low | 28.2 | Very low | 132 Ų | 132 | 141.8 Ų | 141.8 | 69% | 0.691 | 73% | 0.734 | S | S | * | * | | | | 51.8 | 134 | 71.7 | -63.8 | 163.7 | 0 | 0 | 0 | 111 | | |
| 822 | I | 33.5 | Very low | 28.3 | Very low | 150 Ų | 150 | 143.7 Ų | 143.7 | 77% | 0.769 | 74% | 0.739 | S | S | * | * | | | cis | -135.1 | 157.5 | 30.9 | -67.7 | 169.5 | 0 | 0 | 0 | 111.5 | | |
| 823 | D | 27.4 | Very low | 28.2 | Very low | 114 Ų | 114 | 142.1 Ų | 142.1 | 61% | 0.61 | 73% | 0.734 | S | S | * | * | | | trans | -52 | 163.9 | 172.8 | -41 | -89.8 | 0 | 0 | 0 | 115.2 | | |
| 824 | H | 36.4 | Very low | 28.4 | Very low | 188 Ų | 188 | 145 Ų | 145 | 87% | 0.87 | 74% | 0.742 | S | S | * | * | | | | -154.9 | 116.5 | 123.8 | -117.1 | -65.6 | 0 | 0 | 0 | 112.7 | | |
| 825 | E | 26.6 | Very low | 28.3 | Very low | 167 Ų | 167 | 138.2 Ų | 138.2 | 78% | 0.78 | 73% | 0.734 | S | S | * | * | | | trans | -73.2 | 159.4 | 168 | -56.4 | 172.8 | 106.1 | 0 | 0 | 111.8 | | |
| 826 | C | 29 | Very low | 28.5 | Very low | 118 Ų | 118 | 142.2 Ų | 142.2 | 80% | 0.797 | 74% | 0.741 | S | S | * | * | | | trans | 146.3 | 100.3 | 143.7 | -82.3 | 0 | 0 | 0 | 0 | 109.6 | | |
| 827 | S | 26.1 | Very low | 28.4 | Very low | 97 Ų | 97 | 145.3 Ų | 145.3 | 68% | 0.678 | 74% | 0.742 | S | S | * | * | | | | 87.5 | 126.8 | 59.3 | 72.9 | 0 | 0 | 0 | 0 | 114.2 | | |
| 828 | S | 29 | Very low | 28.2 | Very low | 99 Ų | 99 | 142.7 Ų | 142.7 | 69% | 0.692 | 74% | 0.737 | S | S | * | * | | | trans | 71.6 | 154.9 | 161.1 | 85.3 | 0 | 0 | 0 | 0 | 117 | | |
| 829 | Y | 29.5 | Very low | 28.2 | Very low | 213 Ų | 213 | 141.3 Ų | 141.3 | 84% | 0.835 | 74% | 0.741 | S | S | * | * | | | cis | -132.9 | 170.5 | 4.3 | -109.6 | -74.2 | 0 | 0 | 0 | 112 | | |
| 830 | N | 27.7 | Very low | 28.1 | Very low | 126 Ų | 126 | 139.9 Ų | 139.9 | 67% | 0.674 | 74% | 0.737 | S | S | * | * | | | trans | -63 | 179.3 | 163 | -45.4 | -9.7 | 0 | 0 | 0 | 111 | | |
| 831 | E | 28.3 | Very low | 27.6 | Very low | 164 Ų | 164 | 139.9 Ų | 139.9 | 77% | 0.766 | 74% | 0.744 | S | S | * | * | | | cis | -154 | -173.1 | 10.2 | -147.4 | 143.4 | 143.5 | 0 | 0 | 111.5 | | |
| 832 | S | 27.5 | Very low | 27.5 | Very low | 97 Ų | 97 | 139.2 Ų | 139.2 | 68% | 0.678 | 74% | 0.741 | S | S | * | * | | | trans | -53.6 | 147.3 | -177.6 | 55.4 | 0 | 0 | 0 | 0 | 117.4 | | |
| 833 | I | 28.3 | Very low | 27.2 | Very low | 132 Ų | 132 | 137.6 Ų | 137.6 | 68% | 0.677 | 73% | 0.734 | S | S | * | * | | | trans | -168.8 | 146.4 | 131.9 | -100.1 | 152.7 | 0 | 0 | 0 | 110.5 | | |
| 834 | D | 28.3 | Very low | 27.1 | Very low | 161 Ų | 161 | 143 Ų | 143 | 86% | 0.861 | 75% | 0.752 | S | S | * | * | | | trans | 48.3 | 144.1 | 165.3 | -72.6 | -20.1 | 0 | 0 | 0 | 123.7 | | |
| 835 | G | 27.3 | Very low | 26.7 | Very low | 61 Ų | 61 | 144 Ų | 144 | 63% | 0.629 | 75% | 0.748 | S | S | * | * | | | trans | 135.4 | 125.7 | 139.8 | 0 | 0 | 0 | 0 | 0 | 118.7 | | |
| 836 | Y | 27.3 | Very low | 26.8 | Very low | 216 Ų | 216 | 145.2 Ų | 145.2 | 85% | 0.847 | 75% | 0.751 | S | S | * | * | | | trans | 42.4 | 113 | 143.9 | -59.8 | -86.1 | 0 | 0 | 0 | 119.9 | | |
| 837 | R | 25.6 | Very low | 26.7 | Very low | 210 Ų | 210 | 149.4 Ų | 149.4 | 79% | 0.792 | 75% | 0.752 | S | S | * | * | | | | 53.3 | 103.5 | 88 | -78.2 | 179.7 | 162.4 | -98.3 | 5.7 | 115.6 | | |
| 838 | S | 23.5 | Very low | 26.7 | Very low | 98 Ų | 98 | 151.4 Ų | 151.4 | 69% | 0.685 | 76% | 0.755 | S | S | * | * | | | trans | 34.2 | 118.5 | 131.1 | 63.4 | 0 | 0 | 0 | 0 | 120 | | |
| 839 | I | 24.7 | Very low | 26.7 | Very low | 170 Ų | 170 | 155.6 Ų | 155.6 | 87% | 0.872 | 76% | 0.757 | S | S | * | * | | | trans | -143.9 | 142.2 | 147.5 | -97.3 | 131.5 | 0 | 0 | 0 | 111.1 | | |
| 840 | T | 23.8 | Very low | 26.7 | Very low | 88 Ų | 88 | 151.8 Ų | 151.8 | 54% | 0.54 | 75% | 0.746 | S | S | . | * | | | trans | -72.5 | 152.6 | 177.7 | -40.7 | 0 | 0 | 0 | 0 | 111.8 | N842 | T840-N842 HydrophobicContact CG2-CB 4.36Å; T840-N842 PolarHBondContact O-N 3.31Å |
| 841 | P | 23.1 | Very low | 26.7 | Very low | 136 Ų | 136 | 153.5 Ų | 153.5 | 88% | 0.883 | 75% | 0.75 | S | S | * | * | | | trans | -67 | 82.7 | 153.7 | 30.6 | -34.6 | 0 | 0 | 0 | 109.2 | | |
| 842 | N | 25.2 | Very low | 26.6 | Very low | 118 Ų | 118 | 149.6 Ų | 149.6 | 63% | 0.631 | 74% | 0.741 | S | S | * | * | | | trans | -110.8 | 134.1 | -178.7 | -119.6 | -7.7 | 0 | 0 | 0 | 110.4 | T840 | T840-N842 HydrophobicContact CG2-CB 4.36Å; T840-N842 PolarHBondContact O-N 3.31Å |
| 843 | L | 27.5 | Very low | 26.6 | Very low | 116 Ų | 116 | 154.9 Ų | 154.9 | 61% | 0.607 | 75% | 0.748 | S | S | * | * | | | trans | 61.9 | 105.2 | 173.9 | -81 | 62.8 | 0 | 0 | 0 | 116.3 | R845 | L843-R845 VanDerWaalsContact C-N 3.26Å; L843-R845 HydrophobicContact CB-CB 4.24Å; L843-R845 HydrophobicContact CD2-CB 4.33Å; L843-R845 HydrophobicContact CD2-CG 4.04Å; L843-R845 PolarHBondContact O-N 2.78Å |
| 844 | F | 25.2 | Very low | 26.8 | Very low | 229 Ų | 229 | 155.1 Ų | 155.1 | 100% | 1.004 | 75% | 0.75 | S | S | * | * | | | | -56 | 100.4 | 124.7 | -99.1 | -93 | 0 | 0 | 0 | 107.8 | | |
| 845 | R | 26.7 | Very low | 26.7 | Very low | 207 Ų | 207 | 154 Ų | 154 | 78% | 0.781 | 75% | 0.745 | S | S | * | * | | | trans | -101.8 | 135.2 | 164.4 | -143.3 | 176.4 | -150.2 | -132.8 | 5.4 | 107.1 | L843 | L843-R845 VanDerWaalsContact C-N 3.26Å; L843-R845 HydrophobicContact CB-CB 4.24Å; L843-R845 HydrophobicContact CD2-CB 4.33Å; L843-R845 HydrophobicContact CD2-CG 4.04Å; L843-R845 PolarHBondContact O-N 2.78Å |
| 846 | K | 28.6 | Very low | 26.7 | Very low | 193 Ų | 193 | 157.6 Ų | 157.6 | 84% | 0.839 | 75% | 0.75 | S | S | * | * | | | trans | -63.4 | 150.6 | 161.5 | -76.1 | -174.1 | 173.7 | -175.7 | 0 | 108.8 | | |
| 847 | Y | 27.2 | Very low | 27 | Very low | 206 Ų | 206 | 153.8 Ų | 153.8 | 81% | 0.808 | 74% | 0.744 | S | S | * | * | | | trans | -27 | 145.4 | 158 | -60.8 | -96.6 | 0 | 0 | 0 | 112.8 | | |
| 848 | D | 27.4 | Very low | 27.1 | Very low | 139 Ų | 139 | 149.9 Ų | 149.9 | 74% | 0.743 | 74% | 0.743 | S | S | * | * | | | cis | -139.5 | 160.9 | 47.6 | -73.4 | -61 | 0 | 0 | 0 | 116.7 | | |
| 849 | Y | 27.9 | Very low | 27.4 | Very low | 188 Ų | 188 | 154.1 Ų | 154.1 | 74% | 0.737 | 75% | 0.754 | S | S | * | * | | | trans | 18.4 | 143.7 | 140.5 | -75.3 | -98.2 | 0 | 0 | 0 | 120.3 | | |
| 850 | Q | 29.2 | Very low | 27.5 | Very low | 132 Ų | 132 | 151.3 Ų | 151.3 | 62% | 0.617 | 74% | 0.741 | S | S | * | * | | | cis | -162.9 | 145.6 | 19.3 | -159 | 153.1 | -7.2 | 0 | 0 | 112.7 | | |
| 851 | Q | 28.3 | Very low | 27.8 | Very low | 162 Ų | 162 | 154.8 Ų | 154.8 | 76% | 0.757 | 76% | 0.757 | S | S | * | * | | | trans | 43.3 | 156.3 | 148.1 | -69.3 | 167.2 | 7.2 | 0 | 0 | 123.4 | | |
| 852 | S | 26.3 | Very low | 28 | Very low | 83 Ų | 83 | 155.1 Ų | 155.1 | 58% | 0.58 | 75% | 0.751 | S | S | * | * | | | cis | -179.8 | 154.5 | -36.3 | 54.3 | 0 | 0 | 0 | 0 | 112.5 | | |
| 853 | Y | 27.2 | Very low | 28.1 | Very low | 207 Ų | 207 | 155.5 Ų | 155.5 | 81% | 0.812 | 75% | 0.752 | S | S | * | * | | | trans | 83.4 | 140.7 | 148.4 | -76.8 | -59.5 | 0 | 0 | 0 | 124.7 | | |
| 854 | N | 32.5 | Very low | 28.1 | Very low | 137 Ų | 137 | 153.6 Ų | 153.6 | 73% | 0.733 | 75% | 0.748 | S | S | * | * | | | trans | 87.7 | 83.4 | 145.7 | -65.9 | -3.5 | 0 | 0 | 0 | 123.5 | | |
| 855 | N | 26.6 | Very low | 28.2 | Very low | 138 Ų | 138 | 145.6 Ų | 145.6 | 74% | 0.738 | 72% | 0.715 | S | S | * | * | | | | 18.6 | 132.5 | 108.3 | -83.7 | 29.7 | 0 | 0 | 0 | 120.4 | | |
| 856 | N | 27.8 | Very low | 28.2 | Very low | 137 Ų | 137 | 141.3 Ų | 141.3 | 73% | 0.733 | 71% | 0.707 | S | S | * | * | | | | 167.7 | 162.5 | 100.6 | -97.7 | -18.7 | 0 | 0 | 0 | 115.8 | | |
| 857 | N | 32.6 | Very low | 28.2 | Very low | 136 Ų | 136 | 137.2 Ų | 137.2 | 73% | 0.727 | 69% | 0.694 | S | S | * | * | | | trans | 78.6 | 89.3 | 154.6 | -62.7 | -4.3 | 0 | 0 | 0 | 122.6 | | |
| 858 | T | 27.7 | Very low | 28.1 | Very low | 128 Ų | 128 | 134.3 Ų | 134.3 | 79% | 0.785 | 69% | 0.692 | S | S | * | * | | | | 8 | 135.9 | 123.8 | 55 | 0 | 0 | 0 | 0 | 121.9 | | |
| 859 | M | 29.8 | Very low | 28 | Very low | 186 Ų | 186 | 134.4 Ų | 134.4 | 92% | 0.916 | 69% | 0.693 | S | S | * | * | | | | -165.2 | 155.7 | 124.4 | -110.1 | -61.1 | -179.7 | 0 | 0 | 111.6 | | |
| 860 | N | 25.9 | Very low | 27.9 | Very low | 112 Ų | 112 | 135 Ų | 135 | 60% | 0.599 | 70% | 0.695 | S | S | * | * | | | trans | -89 | 154.8 | 176.9 | -89.4 | -26.4 | 0 | 0 | 0 | 111.9 | | |
| 861 | D | 31.4 | Very low | 27.8 | Very low | 161 Ų | 161 | 135.6 Ų | 135.6 | 86% | 0.861 | 70% | 0.703 | S | S | * | * | | | | -174.5 | 157.5 | 108.6 | -95.8 | -21.2 | 0 | 0 | 0 | 113.3 | | |
| 862 | N | 26 | Very low | 27.6 | Very low | 143 Ų | 143 | 132.1 Ų | 132.1 | 77% | 0.765 | 70% | 0.696 | S | S | * | * | | | trans | -102.7 | 137.6 | -175.1 | -70.1 | -88.6 | 0 | 0 | 0 | 112.3 | | |
| 863 | I | 29.3 | Very low | 27.6 | Very low | 126 Ų | 126 | 138.4 Ų | 138.4 | 65% | 0.646 | 71% | 0.708 | S | S | * | * | | | trans | -178 | 157.4 | 142.6 | -94.5 | 149.5 | 0 | 0 | 0 | 108.1 | I651 Q652 | I651-I863 HydrophobicContact CG1-CG2 4.33Å; I651-I863 HydrophobicContact CG2-CG2 4.15Å; Q652-I863 HydrophobicContact CB-CG2 4.18Å |
| 864 | S | 26.3 | Very low | 27.5 | Very low | 75 Ų | 75 | 134.3 Ų | 134.3 | 52% | 0.524 | 70% | 0.701 | S | S | . | * | | | trans | -154.3 | -127.8 | -172.5 | 33.5 | 0 | 0 | 0 | 0 | 114.4 | I651 Q652 | I651-S864 WeakPolarHBondContact CA-O 3.26Å; I651-S864 PolarHBondContact N-O 2.86Å; Q652-S864 WeakPolarHBondContact CB-O 3.48Å; Q652-S864 VanDerWaalsContact CG-C 3.43Å; Q652-S864 WeakPolarHBondContact CG-O 3.25Å; Q652-S864 PolarHBondContact NE2-OG 3.2Å |
| 865 | I | 26.8 | Very low | 27.2 | Very low | 61 Ų | 61 | 138.9 Ų | 138.9 | 31% | 0.313 | 71% | 0.71 | S | S | . | * | | | trans | 80.1 | 121.4 | -167.8 | -98.8 | -164.2 | 0 | 0 | 0 | 116.7 | N650 I651 Q652 | N650-I865 PolarHBondContact OD1-O 2.95Å; I651-I865 WeakPolarHBondContact O-CG2 3.44Å; Q652-I865 HydrophobicContact CB-CB 4.03Å; Q652-I865 HydrophobicContact CB-CG1 4.31Å; Q652-I865 HydrophobicContact CG-CB 3.61Å; Q652-I865 HydrophobicContact CG-CD1 4.33Å; Q652-I865 HydrophobicContact CG-CG1 3.6Å |
| 866 | I | 27.4 | Very low | 27.1 | Very low | 118 Ų | 118 | 142 Ų | 142 | 61% | 0.605 | 71% | 0.711 | S | S | * | * | | | trans | 22.8 | 114.3 | 134.3 | -43.8 | 163.3 | 0 | 0 | 0 | 116.9 | | |
| 867 | N | 28.1 | Very low | 27 | Very low | 107 Ų | 107 | 141.7 Ų | 141.7 | 57% | 0.572 | 72% | 0.718 | S | S | * | * | | | | -140.8 | 168.3 | 114.8 | -95.5 | -20.5 | 0 | 0 | 0 | 109.3 | | |
| 868 | D | 24.8 | Very low | 26.6 | Very low | 145 Ų | 145 | 139.7 Ų | 139.7 | 78% | 0.775 | 72% | 0.715 | S | S | * | * | | | trans | -80.6 | -172.2 | -177.2 | -69.7 | -72.4 | 0 | 0 | 0 | 113.2 | | |
| 869 | D | 26.3 | Very low | 26.5 | Very low | 141 Ų | 141 | 138.3 Ų | 138.3 | 75% | 0.754 | 71% | 0.71 | S | S | * | * | | | trans | 80.2 | 137.4 | 166.4 | -73 | -33.3 | 0 | 0 | 0 | 121.4 | | |
| 870 | Y | 24.8 | Very low | 26.3 | Very low | 199 Ų | 199 | 134.2 Ų | 134.2 | 78% | 0.78 | 70% | 0.7 | S | S | * | * | | | trans | 4.9 | 127.3 | 151.3 | -63.4 | -99 | 0 | 0 | 0 | 117.6 | | |
| 871 | N | 27.6 | Very low | 26.3 | Very low | 146 Ų | 146 | 135.5 Ų | 135.5 | 78% | 0.781 | 71% | 0.707 | S | S | * | * | | | | -165.4 | 165.6 | 77.9 | -101 | -69.4 | 0 | 0 | 0 | 116.2 | | |
| 872 | S | 25.3 | Very low | 26.2 | Very low | 88 Ų | 88 | 133.4 Ų | 133.4 | 62% | 0.615 | 70% | 0.696 | S | S | * | * | | | trans | -73.9 | 141.2 | 165.5 | 179.4 | 0 | 0 | 0 | 0 | 111.4 | D874 | S872-D874 PolarHBondContact OG-N 2.9Š|
| 873 | Y | 25.5 | Very low | 26.2 | Very low | 215 Ų | 215 | 133.3 Ų | 133.3 | 84% | 0.843 | 69% | 0.694 | S | S | * | * | | | trans | -104.3 | 80 | 160.5 | -94.6 | -80.5 | 0 | 0 | 0 | 111 | Y875 | Y873-Y875 PolarHBondContact O-N 3.06Š|
| 874 | D | 25.7 | Very low | 26.1 | Very low | 122 Ų | 122 | 132.3 Ų | 132.3 | 65% | 0.652 | 69% | 0.693 | S | S | * | * | | | trans | -65.1 | 116.3 | 157.2 | -96.1 | -37.4 | 0 | 0 | 0 | 109.1 | S872 R876 | S872-D874 PolarHBondContact OG-N 2.9Å; D874-R876 HydrophobicContact CB-CG 4.03Å; D874-R876 PolarHBondContact O-N 3.02Å |
| 875 | Y | 26.4 | Very low | 26.1 | Very low | 233 Ų | 233 | 135 Ų | 135 | 91% | 0.914 | 70% | 0.702 | S | S | * | * | | | trans | -75.3 | 81.7 | 163.2 | -112.8 | -79.4 | 0 | 0 | 0 | 109.8 | Y873 C877 | Y873-Y875 PolarHBondContact O-N 3.06Å; Y875-C877 PolarHBondContact O-N 3.02Å |
| 876 | R | 23.7 | Very low | 26.1 | Very low | 202 Ų | 202 | 139.7 Ų | 139.7 | 76% | 0.762 | 72% | 0.723 | S | S | * | * | | | trans | -70.5 | 106.9 | 178.4 | -66.4 | -175.5 | 167.9 | -165.7 | -0.2 | 112.4 | D874 S878 | D874-R876 HydrophobicContact CB-CG 4.03Å; D874-R876 PolarHBondContact O-N 3.02Å; R876-S878 VanDerWaalsContact C-OG 3.25Å; R876-S878 WeakPolarHBondContact CB-OG 3.47Å; R876-S878 PolarHBondContact O-OG 3.49Å |
| 877 | C | 26.2 | Very low | 25.9 | Very low | 131 Ų | 131 | 141.4 Ų | 141.4 | 89% | 0.885 | 73% | 0.731 | S | S | * | * | | | trans | -102.9 | 104.5 | 138.1 | -74.2 | 0 | 0 | 0 | 0 | 106.8 | Y875 | Y875-C877 PolarHBondContact O-N 3.02Š|
| 878 | S | 23.3 | Very low | 25.7 | Very low | 94 Ų | 94 | 145.4 Ų | 145.4 | 66% | 0.657 | 74% | 0.738 | S | S | * | * | | | cis | 79.6 | 30.3 | 35.4 | -46.1 | 0 | 0 | 0 | 0 | 116.1 | R876 | R876-S878 VanDerWaalsContact C-OG 3.25Å; R876-S878 WeakPolarHBondContact CB-OG 3.47Å; R876-S878 PolarHBondContact O-OG 3.49Å |
| 879 | S | 26.3 | Very low | 25.7 | Very low | 99 Ų | 99 | 144.2 Ų | 144.2 | 69% | 0.692 | 74% | 0.736 | S | S | * | * | | | trans | -155.7 | 119.7 | 140.3 | 56.8 | 0 | 0 | 0 | 0 | 107.4 | | |
| 880 | S | 24.4 | Very low | 25.8 | Very low | 101 Ų | 101 | 147.9 Ų | 147.9 | 71% | 0.706 | 74% | 0.74 | S | S | * | * | | | | 62.8 | 128.3 | 61.2 | -55 | 0 | 0 | 0 | 0 | 111.6 | | |
| 881 | N | 27.2 | Very low | 25.8 | Very low | 139 Ų | 139 | 144.1 Ų | 144.1 | 74% | 0.743 | 74% | 0.737 | S | S | * | * | | | trans | 71.1 | 139.2 | 175.5 | -56.1 | 40.1 | 0 | 0 | 0 | 113.6 | | |
| 882 | D | 28.3 | Very low | 25.7 | Very low | 117 Ų | 117 | 146.5 Ų | 146.5 | 63% | 0.626 | 74% | 0.741 | S | S | * | * | | | cis | -166.8 | 173.2 | -9.2 | -117.5 | -33.1 | 0 | 0 | 0 | 111.6 | | |
| 883 | I | 26.4 | Very low | 25.7 | Very low | 140 Ų | 140 | 146.6 Ų | 146.6 | 72% | 0.718 | 74% | 0.738 | S | S | * | * | | | trans | 36.9 | 133.7 | 136.8 | -64.5 | 163.6 | 0 | 0 | 0 | 119.3 | | |
| 884 | V | 27 | Very low | 25.7 | Very low | 106 Ų | 106 | 142.5 Ų | 142.5 | 64% | 0.642 | 73% | 0.731 | S | S | * | * | | | cis | -171.8 | -173.8 | -12 | 84.7 | 0 | 0 | 0 | 0 | 108.5 | | |
| 885 | N | 25.8 | Very low | 25.8 | Very low | 131 Ų | 131 | 144.8 Ų | 144.8 | 70% | 0.701 | 74% | 0.737 | S | S | * | * | | | trans | -47.6 | 142.4 | 167 | -39.2 | -80.2 | 0 | 0 | 0 | 113.3 | | |
| 886 | Q | 27.3 | Very low | 26 | Very low | 160 Ų | 160 | 139.9 Ų | 139.9 | 75% | 0.748 | 73% | 0.731 | S | S | * | * | | | | -161.1 | 118.3 | 121.5 | -113.2 | 155.9 | 101.6 | 0 | 0 | 116.7 | R888 | Q886-R888 PolarHBondContact O-N 3.39Š|
| 887 | I | 24 | Very low | 26.4 | Very low | 153 Ų | 153 | 134.2 Ų | 134.2 | 79% | 0.785 | 73% | 0.728 | S | S | * | * | | | trans | -38.4 | 125.9 | 147.3 | -58.7 | 151.2 | 0 | 0 | 0 | 111.1 | | |
| 888 | R | 24.4 | Very low | 26.3 | Very low | 191 Ų | 191 | 133.7 Ų | 133.7 | 72% | 0.721 | 72% | 0.716 | S | S | * | * | | | trans | -154.1 | 102.2 | 152.6 | -165.7 | 163.6 | -74.8 | -140.6 | 0.2 | 113.4 | Q886 | Q886-R888 PolarHBondContact O-N 3.39Š|
| 889 | T | 23.6 | Very low | 26.5 | Very low | 120 Ų | 120 | 137.5 Ų | 137.5 | 74% | 0.736 | 72% | 0.721 | S | S | * | * | | | trans | -75 | 135.6 | 163.9 | 46.4 | 0 | 0 | 0 | 0 | 111.2 | | |
| 890 | W | 28.3 | Very low | 26.5 | Very low | 219 Ų | 219 | 139.8 Ų | 139.8 | 83% | 0.83 | 72% | 0.72 | S | S | * | * | | | trans | -136.9 | 160.3 | 153.4 | -80.5 | 89.7 | 0 | 0 | 0 | 109.8 | | |
| 891 | T | 24.5 | Very low | 26.6 | Very low | 119 Ų | 119 | 138.3 Ų | 138.3 | 73% | 0.73 | 71% | 0.709 | S | S | * | * | | | trans | -136.9 | 155.4 | -160.6 | 53 | 0 | 0 | 0 | 0 | 112.3 | | |
| 892 | K | 25.7 | Very low | 26.5 | Very low | 196 Ų | 196 | 138.8 Ų | 138.8 | 85% | 0.852 | 71% | 0.711 | S | S | * | * | | | trans | 69.4 | 151.7 | 169.4 | -106.1 | -164.9 | 171.8 | -166.5 | 0 | 114 | | |
| 893 | T | 25.4 | Very low | 26.5 | Very low | 91 Ų | 91 | 138.7 Ų | 138.7 | 56% | 0.558 | 72% | 0.72 | S | S | * | * | | | cis | -146.2 | 159.2 | 4.7 | -26.4 | 0 | 0 | 0 | 0 | 108.9 | | |
| 894 | D | 25.9 | Very low | 26.3 | Very low | 128 Ų | 128 | 142.5 Ų | 142.5 | 68% | 0.684 | 73% | 0.727 | S | S | * | * | | | trans | 44.2 | 128.2 | 157.6 | -49.5 | -32.8 | 0 | 0 | 0 | 119.9 | | |
| 895 | H | 27.9 | Very low | 26.3 | Very low | 170 Ų | 170 | 144.7 Ų | 144.7 | 79% | 0.787 | 73% | 0.733 | S | S | * | * | | | cis | -150 | 149.4 | 39.3 | -91.2 | -79.3 | 0 | 0 | 0 | 114.5 | | |
| 896 | V | 30.5 | Very low | 26.3 | Very low | 130 Ų | 130 | 142.9 Ų | 142.9 | 79% | 0.788 | 74% | 0.737 | S | S | * | * | | | trans | 54.2 | 86.9 | 147.3 | -174.8 | 0 | 0 | 0 | 0 | 116.5 | | |
| 897 | A | 31.3 | Very low | 26.3 | Very low | 84 Ų | 84 | 142.6 Ų | 142.6 | 69% | 0.694 | 74% | 0.74 | S | S | * | * | | | | 88.7 | 101.6 | 92.1 | 0 | 0 | 0 | 0 | 0 | 113 | | |
| 898 | N | 25.9 | Very low | 26.5 | Very low | 120 Ų | 120 | 144.6 Ų | 144.6 | 64% | 0.642 | 74% | 0.743 | S | S | * | * | | | cis | 67.4 | 126.4 | 28.7 | -134.1 | 2.3 | 0 | 0 | 0 | 110.9 | | |
| 899 | F | 26.2 | Very low | 26.6 | Very low | 173 Ų | 173 | 145.9 Ų | 145.9 | 76% | 0.759 | 75% | 0.748 | S | S | * | * | | | cis | -144.8 | 147.1 | 33.8 | -78.9 | -94 | 0 | 0 | 0 | 111 | | |
| 900 | H | 26.8 | Very low | 26.8 | Very low | 147 Ų | 147 | 147.7 Ų | 147.7 | 68% | 0.681 | 75% | 0.746 | S | S | * | * | | | | 70.5 | 128.3 | 71.5 | -157.3 | -74 | 0 | 0 | 0 | 115.8 | | |
| 901 | P | 26.5 | Very low | 26.7 | Very low | 71 Ų | 71 | 147.5 Ų | 147.5 | 46% | 0.461 | 75% | 0.746 | S | S | . | * | | | trans | -80.6 | -168.1 | 177.8 | 36 | -39.3 | 0 | 0 | 0 | 114.1 | M1277 | P901-M1277 HydrophobicContact CG-CE 3.82Š|
| 902 | D | 26 | Very low | 26.8 | Very low | 149 Ų | 149 | 151.3 Ų | 151.3 | 80% | 0.797 | 75% | 0.753 | S | S | * | * | | | trans | 79.1 | 71.1 | 173.7 | -68.8 | -14.7 | 0 | 0 | 0 | 118.9 | | |
| 903 | S | 26.8 | Very low | 26.8 | Very low | 115 Ų | 115 | 147.2 Ų | 147.2 | 80% | 0.804 | 75% | 0.749 | S | S | * | * | | | trans | -141.8 | 118.8 | 131.5 | 59.3 | 0 | 0 | 0 | 0 | 109.7 | | |
| 904 | Y | 23.8 | Very low | 26.7 | Very low | 219 Ų | 219 | 148.9 Ų | 148.9 | 86% | 0.859 | 76% | 0.759 | S | S | * | * | | | | 80.4 | 141.7 | 71 | -102.5 | -86.5 | 0 | 0 | 0 | 115.5 | | |
| 905 | I | 26.7 | Very low | 26.8 | Very low | 152 Ų | 152 | 152.3 Ų | 152.3 | 78% | 0.779 | 76% | 0.764 | S | S | * | * | | | trans | 74.5 | 102.9 | 170 | -57.1 | 161.1 | 0 | 0 | 0 | 115.5 | | |
| 906 | A | 25.7 | Very low | 26.6 | Very low | 94 Ų | 94 | 151 Ų | 151 | 78% | 0.777 | 76% | 0.763 | S | S | * | * | | | trans | -73.8 | 150.1 | 164.1 | 0 | 0 | 0 | 0 | 0 | 111.5 | | |
| 907 | N | 27.2 | Very low | 26.7 | Very low | 154 Ų | 154 | 152.3 Ų | 152.3 | 82% | 0.824 | 76% | 0.76 | S | S | * | * | | | trans | -142.6 | 126.6 | 152.7 | -129.6 | -31.8 | 0 | 0 | 0 | 112.6 | | |
| 908 | K | 28 | Very low | 26.5 | Very low | 194 Ų | 194 | 152.8 Ų | 152.8 | 84% | 0.843 | 76% | 0.758 | S | S | * | * | | | trans | -81.3 | 131.7 | 173 | -66.5 | 175.9 | 178.2 | 177.8 | 0 | 109 | | |
| 909 | R | 27 | Very low | 26.4 | Very low | 219 Ų | 219 | 157 Ų | 157 | 83% | 0.826 | 77% | 0.767 | S | S | * | * | | | trans | -152.2 | 122.4 | 150.4 | -107.7 | 157.4 | -155.9 | -157.3 | 3.6 | 111.1 | Y911 | R909-Y911 HydrophobicContact CB-CD2 4.5Å; R909-Y911 PolarHBondContact O-N 3.49Å |
| 910 | K | 26.3 | Very low | 26.7 | Very low | 158 Ų | 158 | 157.7 Ų | 157.7 | 69% | 0.687 | 77% | 0.772 | S | S | * | * | | | trans | -64.7 | 118.8 | 160.7 | -72.6 | -177.8 | 176.4 | -177.8 | 0 | 106.2 | E566 | E566-K910 VanDerWaalsContact CD-NZ 3.34Å; E566-K910 IonicContact OE1-NZ 2.69Å; E566-K910 PolarHBondContact OE1-NZ 2.86Å; E566-K910 IonicContact OE2-NZ 3.24Å; E566-K910 PolarHBondContact OE2-NZ 3.08Å |
| 911 | Y | 27.7 | Very low | 26.7 | Very low | 215 Ų | 215 | 160.6 Ų | 160.6 | 84% | 0.843 | 78% | 0.777 | S | S | * | * | | | trans | -130.8 | 151.2 | 152.8 | -96.2 | -78.5 | 0 | 0 | 0 | 109.8 | R909 | R909-Y911 HydrophobicContact CB-CD2 4.5Å; R909-Y911 PolarHBondContact O-N 3.49Å |
| 912 | K | 25.6 | Very low | 26.9 | Very low | 199 Ų | 199 | 165.1 Ų | 165.1 | 87% | 0.865 | 80% | 0.796 | S | S | * | * | | | trans | -147.9 | 100.4 | -164.8 | 177.7 | -178.3 | -178.7 | 173.4 | 0 | 107.7 | | |
| 913 | S | 25.9 | Very low | 26.9 | Very low | 110 Ų | 110 | 164 Ų | 164 | 77% | 0.769 | 79% | 0.79 | S | S | * | * | | | trans | -128 | 124.3 | 172.2 | -156.5 | 0 | 0 | 0 | 0 | 109.8 | | |
| 914 | T | 24.2 | Very low | 27.1 | Very low | 125 Ų | 125 | 165.4 Ų | 165.4 | 77% | 0.767 | 79% | 0.789 | S | S | * | * | | | trans | -67.2 | 138.3 | 154.7 | 38.9 | 0 | 0 | 0 | 0 | 109.1 | | |
| 915 | Y | 26.7 | Very low | 27.4 | Very low | 200 Ų | 200 | 161.3 Ų | 161.3 | 78% | 0.784 | 78% | 0.781 | S | S | * | * | | | trans | -143.2 | 151.7 | 139.4 | -119.7 | -86.5 | 0 | 0 | 0 | 108.8 | | |
| 916 | N | 24.9 | Very low | 27.5 | Very low | 144 Ų | 144 | 160.8 Ų | 160.8 | 77% | 0.77 | 78% | 0.777 | S | S | * | * | | | trans | -155.4 | 85.1 | -165.6 | -178.7 | 94.6 | 0 | 0 | 0 | 110.1 | | |
| 917 | E | 30.9 | Very low | 27.5 | Very low | 157 Ų | 157 | 162 Ų | 162 | 73% | 0.734 | 77% | 0.771 | S | S | * | * | | | trans | -136.3 | 127.9 | 169.6 | -90 | 137.8 | -166.1 | 0 | 0 | 106.6 | | |
| 918 | S | 26.9 | Very low | 27.6 | Very low | 94 Ų | 94 | 163.1 Ų | 163.1 | 66% | 0.657 | 77% | 0.768 | S | S | * | * | | | cis | 95.4 | 106.8 | 41.4 | -72.2 | 0 | 0 | 0 | 0 | 111.5 | | |
| 919 | Y | 25.3 | Very low | 27.7 | Very low | 208 Ų | 208 | 161.5 Ų | 161.5 | 82% | 0.816 | 76% | 0.764 | S | S | * | * | | | trans | 40.8 | 131.8 | 153.1 | -68 | -88.7 | 0 | 0 | 0 | 118.7 | | |
| 920 | H | 32.3 | Very low | 27.8 | Very low | 187 Ų | 187 | 159.2 Ų | 159.2 | 87% | 0.866 | 76% | 0.762 | S | S | * | * | | | | -153.4 | 166.1 | 82.9 | -109.5 | -92.6 | 0 | 0 | 0 | 114.4 | | |
| 921 | R | 26.6 | Very low | 27.8 | Very low | 209 Ų | 209 | 158.3 Ų | 158.3 | 79% | 0.789 | 77% | 0.765 | S | S | * | * | | | trans | -74.9 | 154.1 | 177.4 | -62.6 | 172 | 170.3 | 174.9 | -6.2 | 111.9 | | |
| 922 | L | 30.9 | Very low | 27.8 | Very low | 165 Ų | 165 | 153.6 Ų | 153.6 | 86% | 0.864 | 76% | 0.764 | S | S | * | * | | | | -134.2 | 117.1 | 128.9 | -97.7 | 166.4 | 0 | 0 | 0 | 108.5 | | |
| 923 | N | 26.1 | Very low | 28 | Very low | 125 Ų | 125 | 150.1 Ų | 150.1 | 67% | 0.668 | 76% | 0.759 | S | S | * | * | | | trans | -77.4 | 151.1 | 146.7 | -69.2 | -0.4 | 0 | 0 | 0 | 105.8 | | |
| 924 | D | 31 | Very low | 28.1 | Very low | 145 Ų | 145 | 151.9 Ų | 151.9 | 78% | 0.775 | 76% | 0.755 | S | S | * | * | | | | -167.2 | 151.5 | 125.6 | -106.1 | -24.5 | 0 | 0 | 0 | 115.5 | | |
| 925 | L | 28.8 | Very low | 28.2 | Very low | 133 Ų | 133 | 152.8 Ų | 152.8 | 70% | 0.696 | 75% | 0.746 | S | S | * | * | | | trans | 62.5 | 119.7 | 155.5 | -90.3 | 65.6 | 0 | 0 | 0 | 123.3 | | |
| 926 | M | 28.9 | Very low | 28.4 | Very low | 142 Ų | 142 | 148 Ų | 148 | 70% | 0.7 | 73% | 0.733 | S | S | * | * | | | trans | 80.2 | 108.2 | 137.6 | -65.7 | -151.1 | -87.3 | 0 | 0 | 122.5 | | |
| 927 | N | 26.7 | Very low | 28.8 | Very low | 120 Ų | 120 | 147.6 Ų | 147.6 | 64% | 0.642 | 73% | 0.73 | S | S | * | * | | | | 44.8 | 131.6 | 110 | -41.9 | -17.7 | 0 | 0 | 0 | 117.9 | | |
| 928 | F | 29.2 | Very low | 28.8 | Very low | 177 Ų | 177 | 147.3 Ų | 147.3 | 78% | 0.776 | 73% | 0.734 | S | S | * | * | | | | -164.8 | 173.3 | 52.4 | -107.3 | -67.3 | 0 | 0 | 0 | 114.5 | | |
| 929 | Q | 29.9 | Very low | 29 | Very low | 160 Ų | 160 | 146.7 Ų | 146.7 | 75% | 0.748 | 74% | 0.742 | S | S | * | * | | | trans | 61.8 | 104.3 | 160.4 | -113.4 | 70.7 | 4.3 | 0 | 0 | 120 | | |
| 930 | H | 28.3 | Very low | 29.4 | Very low | 170 Ų | 170 | 142.9 Ų | 142.9 | 79% | 0.787 | 74% | 0.741 | S | S | * | * | | | trans | -77.8 | 162.4 | 150.2 | -69.5 | -109.9 | 0 | 0 | 0 | 110.5 | | |
| 931 | N | 27.7 | Very low | 29.4 | Very low | 139 Ų | 139 | 139.7 Ų | 139.7 | 74% | 0.743 | 74% | 0.735 | S | S | * | * | | | | -169.8 | 135.5 | 109.1 | -96.1 | -11.9 | 0 | 0 | 0 | 114.4 | | |
| 932 | S | 27.7 | Very low | 29.5 | Very low | 117 Ų | 117 | 135.2 Ų | 135.2 | 82% | 0.818 | 73% | 0.731 | S | S | * | * | | | trans | -147 | 130.4 | 155.7 | -63.6 | 0 | 0 | 0 | 0 | 105.3 | | |
| 933 | T | 29.1 | Very low | 29.5 | Very low | 125 Ų | 125 | 134.2 Ų | 134.2 | 77% | 0.767 | 73% | 0.725 | S | S | * | * | | | trans | -81.1 | 150.9 | -160.5 | 42.2 | 0 | 0 | 0 | 0 | 114.4 | | |
| 934 | E | 27.4 | Very low | 29.8 | Very low | 147 Ų | 147 | 133.6 Ų | 133.6 | 69% | 0.687 | 73% | 0.726 | S | S | * | * | | | trans | -171.9 | 172.6 | 130.3 | -106.3 | -177.7 | -179 | 0 | 0 | 116.8 | Y751 N752 | Y751-E934 VanDerWaalsContact CA-O 3.3Å; Y751-E934 WeakPolarHBondContact CA-O 3.4Å; Y751-E934 WeakPolarHBondContact CD2-O 3.32Å; N752-E934 PolarHBondContact N-O 3.13Å |
| 935 | Y | 27.6 | Very low | 29.8 | Very low | 145 Ų | 145 | 132.3 Ų | 132.3 | 57% | 0.569 | 72% | 0.723 | S | S | * | * | B | Isolated β-bridge | trans | -67.7 | 164 | -153.9 | -79.3 | -86.7 | 0 | 0 | 0 | 121 | N750 Y751 N752 G753 | N750-Y935 CarbonylContact O-C 3.52Å; N750-Y935 VanDerWaalsContact O-CA 3.27Å; N750-Y935 WeakPolarHBondContact O-CA 3.39Å; N750-Y935 WeakPolarHBondContact O-CD1 3.41Å; Y751-Y935 VanDerWaalsContact C-C 3.42Å; N752-Y935 CarbonylContact C-O 3.58Å; N752-Y935 PolarHBondContact N-O 3.38Å; G753-Y935 VanDerWaalsContact CA-O 3.26Å; G753-Y935 WeakPolarHBondContact CA-O 3.43Å; G753-Y935 PolarHBondContact N-O 2.88Å |
| 936 | N | 31 | Very low | 30 | Very low | 99 Ų | 99 | 131.6 Ų | 131.6 | 53% | 0.529 | 73% | 0.725 | S | S | . | * | | | trans | 124.7 | 119.7 | 148.6 | -83.9 | -20 | 0 | 0 | 0 | 119.8 | N750 Y751 N752 | N750-N936 PolarHBondContact O-N 3.14Å; Y751-N936 CarbonylContact C-O 3.58Å; Y751-N936 CarbonylContact O-C 3.18Å; Y751-N936 PolarHBondContact O-N 2.57Å; N752-N936 WeakPolarHBondContact CB-O 3.23Å |
| 937 | L | 32.4 | Very low | 30.2 | Very low | 135 Ų | 135 | 129.9 Ų | 129.9 | 71% | 0.707 | 73% | 0.726 | S | S | * | * | | | trans | 77.6 | 109.7 | 161.3 | -53.2 | 155.2 | 0 | 0 | 0 | 115.9 | | |
| 938 | N | 30.2 | Very low | 30.6 | Very low | 152 Ų | 152 | 129.4 Ų | 129.4 | 81% | 0.813 | 73% | 0.728 | S | S | * | * | | | | 66.3 | 89.4 | 71.1 | -74.7 | -5.6 | 0 | 0 | 0 | 115.3 | | |
| 939 | G | 32.6 | Very low | 30.7 | Very low | 80 Ų | 80 | 127 Ų | 127 | 83% | 0.825 | 73% | 0.728 | S | S | * | * | | | trans | -96.5 | 142.9 | 157.3 | 0 | 0 | 0 | 0 | 0 | 111.2 | | |
| 940 | T | 32.3 | Very low | 30.9 | Very low | 128 Ų | 128 | 124.8 Ų | 124.8 | 79% | 0.785 | 73% | 0.725 | S | S | * | * | | | trans | -86.5 | -179.9 | -179.2 | 47.9 | 0 | 0 | 0 | 0 | 113.2 | | |
| 941 | T | 32.3 | Very low | 31.2 | Very low | 121 Ų | 121 | 121.7 Ų | 121.7 | 74% | 0.742 | 72% | 0.719 | S | S | * | * | | | trans | 69.9 | 121.3 | 164.7 | 27.2 | 0 | 0 | 0 | 0 | 115.5 | | |
| 942 | T | 29.8 | Very low | 31.4 | Very low | 115 Ų | 115 | 121.5 Ų | 121.5 | 71% | 0.706 | 72% | 0.718 | S | S | * | * | | | cis | -164.8 | 169.8 | 2.6 | -14.9 | 0 | 0 | 0 | 0 | 114 | | |
| 943 | I | 31.7 | Very low | 31.7 | Very low | 143 Ų | 143 | 122.1 Ų | 122.1 | 73% | 0.733 | 71% | 0.712 | S | S | * | * | | | trans | 92.1 | 113.4 | 148.6 | -74.5 | 156.8 | 0 | 0 | 0 | 119.6 | | |
| 944 | T | 30.7 | Very low | 31.9 | Very low | 113 Ų | 113 | 122.7 Ų | 122.7 | 69% | 0.693 | 71% | 0.71 | S | S | * | * | | | trans | 70.6 | 103.7 | 154.4 | 43.8 | 0 | 0 | 0 | 0 | 123.8 | | |
| 945 | T | 32.4 | Very low | 32.1 | Very low | 118 Ų | 118 | 123.1 Ų | 123.1 | 72% | 0.724 | 72% | 0.716 | S | S | * | * | | | | 48.2 | 139.6 | 114.6 | 60.2 | 0 | 0 | 0 | 0 | 121 | | |
| 946 | T | 32.5 | Very low | 32.2 | Very low | 118 Ų | 118 | 120.8 Ų | 120.8 | 72% | 0.724 | 72% | 0.721 | S | S | * | * | | | cis | -167.9 | 153.6 | 7.7 | 6.2 | 0 | 0 | 0 | 0 | 112 | | |
| 947 | S | 33.3 | Very low | 32 | Very low | 105 Ų | 105 | 120.4 Ų | 120.4 | 73% | 0.734 | 73% | 0.725 | S | S | * | * | | | trans | 66.7 | 151.3 | 148.3 | -58.1 | 0 | 0 | 0 | 0 | 120 | | |
| 948 | T | 34.5 | Very low | 31.7 | Very low | 111 Ų | 111 | 121.7 Ų | 121.7 | 68% | 0.681 | 73% | 0.732 | S | S | * | * | | | cis | -168.5 | 138.3 | -19.4 | 26.5 | 0 | 0 | 0 | 0 | 109.7 | | |
| 949 | T | 32.3 | Very low | 31.6 | Very low | 126 Ų | 126 | 119.6 Ų | 119.6 | 77% | 0.773 | 73% | 0.729 | S | S | * | * | | | trans | 60.6 | 159.2 | 151.1 | 56.1 | 0 | 0 | 0 | 0 | 119 | | |
| 950 | T | 34.2 | Very low | 31.4 | Very low | 113 Ų | 113 | 125 Ų | 125 | 69% | 0.693 | 73% | 0.727 | S | S | * | * | | | cis | -160.9 | 144.4 | 13.4 | -11.8 | 0 | 0 | 0 | 0 | 113 | | |
| 951 | T | 34.1 | Very low | 31.1 | Very low | 105 Ų | 105 | 125.3 Ų | 125.3 | 64% | 0.644 | 73% | 0.73 | S | S | * | * | | | trans | 48.9 | 130.3 | 144.6 | 51 | 0 | 0 | 0 | 0 | 125.8 | | |
| 952 | N | 31.2 | Very low | 30.8 | Very low | 135 Ų | 135 | 125.9 Ų | 125.9 | 72% | 0.722 | 73% | 0.728 | S | S | * | * | | | trans | 65.8 | 141.4 | 132.4 | -52.7 | 3.3 | 0 | 0 | 0 | 119.6 | | |
| 953 | N | 34.9 | Very low | 30.6 | Very low | 130 Ų | 130 | 126.8 Ų | 126.8 | 70% | 0.695 | 73% | 0.733 | S | S | * | * | | | cis | -154.2 | 163.9 | 38.1 | -87.5 | -65.4 | 0 | 0 | 0 | 114.1 | | |
| 954 | N | 32.4 | Very low | 30.2 | Very low | 138 Ų | 138 | 125.4 Ų | 125.4 | 74% | 0.738 | 74% | 0.736 | S | S | * | * | | | trans | 14.4 | 142 | 140.6 | -44.5 | -25.3 | 0 | 0 | 0 | 119.4 | | |
| 955 | I | 32 | Very low | 30.1 | Very low | 155 Ų | 155 | 127 Ų | 127 | 80% | 0.795 | 74% | 0.737 | S | S | * | * | | | | -163.6 | 135.9 | 70.8 | -89.8 | 174.3 | 0 | 0 | 0 | 113.3 | | |
| 956 | S | 28.5 | Very low | 29.8 | Very low | 97 Ų | 97 | 129.3 Ų | 129.3 | 68% | 0.678 | 75% | 0.746 | S | S | * | * | | | trans | 41.3 | 159.3 | 151.4 | 79.9 | 0 | 0 | 0 | 0 | 125.9 | | |
| 957 | S | 27.5 | Very low | 29.6 | Very low | 90 Ų | 90 | 129.9 Ų | 129.9 | 63% | 0.629 | 74% | 0.743 | S | S | * | * | | | trans | 67.1 | 104.5 | 159.3 | 34.7 | 0 | 0 | 0 | 0 | 117.1 | | |
| 958 | L | 26.9 | Very low | 29.2 | Very low | 162 Ų | 162 | 130.9 Ų | 130.9 | 85% | 0.848 | 74% | 0.738 | S | S | * | * | | | | 63.9 | 131.7 | 68.6 | -75.1 | 76.2 | 0 | 0 | 0 | 112.3 | | |
| 959 | S | 28.3 | Very low | 28.9 | Very low | 108 Ų | 108 | 135 Ų | 135 | 76% | 0.755 | 75% | 0.75 | S | S | * | * | | | cis | -141.4 | 151.7 | 21.6 | -57.5 | 0 | 0 | 0 | 0 | 114 | | |
| 960 | Y | 26.7 | Very low | 28.6 | Very low | 195 Ų | 195 | 132.6 Ų | 132.6 | 77% | 0.765 | 74% | 0.738 | S | S | * | * | | | trans | -79.2 | 166.3 | 164.2 | -76.2 | -87.5 | 0 | 0 | 0 | 111.1 | I962 | Y960-I962 HydrophobicContact CD1-CB 4Å; Y960-I962 HydrophobicContact CD1-CD1 4.29Å; Y960-I962 HydrophobicContact CD1-CG1 4.07Å; Y960-I962 HydrophobicContact CE1-CB 4.4Å; Y960-I962 HydrophobicContact CE1-CD1 4.23Å; Y960-I962 HydrophobicContact CE1-CG1 4.47Å |
| 961 | P | 27 | Very low | 28.2 | Very low | 133 Ų | 133 | 133.8 Ų | 133.8 | 86% | 0.864 | 74% | 0.74 | S | S | * | * | | | | -130.2 | 112.1 | 84.1 | 34.6 | -23.3 | 0 | 0 | 0 | 113.8 | | |
| 962 | I | 25.8 | Very low | 27.8 | Very low | 134 Ų | 134 | 137.2 Ų | 137.2 | 69% | 0.687 | 75% | 0.749 | S | S | * | * | | | trans | -120.6 | 108.8 | 156.6 | -63.2 | 175.8 | 0 | 0 | 0 | 106.5 | Y960 | Y960-I962 HydrophobicContact CD1-CB 4Å; Y960-I962 HydrophobicContact CD1-CD1 4.29Å; Y960-I962 HydrophobicContact CD1-CG1 4.07Å; Y960-I962 HydrophobicContact CE1-CB 4.4Å; Y960-I962 HydrophobicContact CE1-CD1 4.23Å; Y960-I962 HydrophobicContact CE1-CG1 4.47Å |
| 963 | T | 26.1 | Very low | 27.5 | Very low | 134 Ų | 134 | 135.4 Ų | 135.4 | 82% | 0.822 | 75% | 0.746 | S | S | * | * | | | trans | -169.9 | 113.4 | 144.5 | 6.5 | 0 | 0 | 0 | 0 | 111.5 | | |
| 964 | S | 22.6 | Very low | 27.2 | Very low | 113 Ų | 113 | 136.7 Ų | 136.7 | 79% | 0.79 | 75% | 0.753 | S | S | * | * | | | trans | -143.4 | 140.8 | 152.4 | 62 | 0 | 0 | 0 | 0 | 105.7 | | |
| 965 | M | 28.8 | Very low | 26.8 | Very low | 146 Ų | 146 | 134.4 Ų | 134.4 | 72% | 0.719 | 74% | 0.744 | S | S | * | * | | | trans | 72.3 | 124.9 | -141.9 | -48.8 | -176 | -164.5 | 0 | 0 | 111.4 | I967 | M965-I967 HydrophobicContact CB-CG1 4.43Å; M965-I967 HydrophobicContact SD-CD1 4.2Å |
| 966 | N | 26.5 | Very low | 26.6 | Very low | 168 Ų | 168 | 133.2 Ų | 133.2 | 90% | 0.898 | 74% | 0.744 | S | S | * | * | | | cis | 70.8 | 55.6 | 11.4 | -152.4 | 8.7 | 0 | 0 | 0 | 115.5 | | |
| 967 | I | 26.7 | Very low | 26.6 | Very low | 129 Ų | 129 | 133.3 Ų | 133.3 | 66% | 0.662 | 74% | 0.742 | S | S | * | * | | | trans | -129.3 | 114.7 | 163 | -74.9 | 178.4 | 0 | 0 | 0 | 110.1 | M965 | M965-I967 HydrophobicContact CB-CG1 4.43Å; M965-I967 HydrophobicContact SD-CD1 4.2Å |
| 968 | I | 26.3 | Very low | 26.5 | Very low | 126 Ų | 126 | 135.9 Ų | 135.9 | 65% | 0.646 | 75% | 0.748 | S | S | * | * | | | trans | 33.3 | 104.5 | 137.1 | -46.3 | 172.8 | 0 | 0 | 0 | 116.9 | | |
| 969 | H | 28.6 | Very low | 26.4 | Very low | 199 Ų | 199 | 132.8 Ų | 132.8 | 92% | 0.921 | 74% | 0.739 | S | S | * | * | | | | -118.6 | 89.8 | 120.8 | -111.1 | -81.5 | 0 | 0 | 0 | 109.6 | | |
| 970 | S | 25 | Very low | 26.2 | Very low | 74 Ų | 74 | 134.6 Ų | 134.6 | 52% | 0.517 | 74% | 0.739 | S | S | . | * | | | trans | -64.4 | 127.7 | 162.4 | 50.8 | 0 | 0 | 0 | 0 | 109.3 | | |
| 971 | N | 26.1 | Very low | 26.3 | Very low | 139 Ų | 139 | 134.2 Ų | 134.2 | 74% | 0.743 | 74% | 0.741 | S | S | * | * | | | | 164.2 | 163.2 | 123.6 | -82.6 | -30.8 | 0 | 0 | 0 | 112.4 | | |
| 972 | Q | 26.4 | Very low | 26.3 | Very low | 176 Ų | 176 | 133.7 Ų | 133.7 | 82% | 0.822 | 73% | 0.73 | S | S | * | * | | | trans | 62.5 | 87.6 | 158.4 | -72.3 | 162.4 | 0.5 | 0 | 0 | 117.6 | L974 | Q972-L974 PolarHBondContact O-N 3.08Š|
| 973 | S | 24.5 | Very low | 26.5 | Very low | 97 Ų | 97 | 134 Ų | 134 | 68% | 0.678 | 73% | 0.728 | S | S | * | * | | | | 11.9 | 100.6 | 102 | 173.2 | 0 | 0 | 0 | 0 | 116.1 | | |
| 974 | L | 27.7 | Very low | 26.5 | Very low | 158 Ų | 158 | 135 Ų | 135 | 83% | 0.827 | 72% | 0.723 | S | S | * | * | | | trans | -149.4 | 102.3 | 139.4 | -135.1 | 69.1 | 0 | 0 | 0 | 106.3 | Q972 | Q972-L974 PolarHBondContact O-N 3.08Š|
| 975 | T | 25.3 | Very low | 26.7 | Very low | 89 Ų | 89 | 135.4 Ų | 135.4 | 55% | 0.546 | 72% | 0.717 | S | S | . | * | | | | 55.5 | 71.5 | 65 | 76.9 | 0 | 0 | 0 | 0 | 114.4 | | |
| 976 | T | 27.8 | Very low | 26.7 | Very low | 130 Ų | 130 | 133.6 Ų | 133.6 | 80% | 0.798 | 71% | 0.71 | S | S | * | * | | | trans | 58.3 | -161.4 | 147.4 | 70.1 | 0 | 0 | 0 | 0 | 113.9 | | |
| 977 | P | 28.6 | Very low | 26.9 | Very low | 100 Ų | 100 | 133.9 Ų | 133.9 | 65% | 0.649 | 70% | 0.703 | S | S | * | * | | | cis | -116.6 | -143.8 | -31.4 | 23.8 | -0.7 | 0 | 0 | 0 | 109.9 | | |
| 978 | I | 25.8 | Very low | 27 | Very low | 144 Ų | 144 | 134.8 Ų | 134.8 | 74% | 0.738 | 70% | 0.704 | S | S | * | * | | | trans | 76.6 | 83.8 | 162.3 | -50.5 | 166.7 | 0 | 0 | 0 | 113.4 | | |
| 979 | S | 22.9 | Very low | 27.2 | Very low | 97 Ų | 97 | 134.8 Ų | 134.8 | 68% | 0.678 | 71% | 0.705 | S | S | * | * | | | | 77.2 | 135.9 | 60.3 | -55.4 | 0 | 0 | 0 | 0 | 114.9 | | |
| 980 | I | 25.8 | Very low | 27.1 | Very low | 146 Ų | 146 | 131.5 Ų | 131.5 | 75% | 0.749 | 69% | 0.694 | S | S | * | * | | | trans | 71.6 | 100 | 158.7 | -56 | 147 | 0 | 0 | 0 | 115.6 | | |
| 981 | K | 27.4 | Very low | 27.2 | Very low | 187 Ų | 187 | 134 Ų | 134 | 81% | 0.813 | 70% | 0.697 | S | S | * | * | | | | 169.6 | 149.8 | 111.4 | -85.2 | -160.4 | -173.5 | 173 | 0 | 110.8 | | |
| 982 | I | 27.9 | Very low | 27.3 | Very low | 121 Ų | 121 | 134 Ų | 134 | 62% | 0.621 | 69% | 0.692 | S | S | * | * | | | cis | -166.1 | 159.9 | -30.5 | -127.4 | 174.1 | 0 | 0 | 0 | 106.6 | | |
| 983 | H | 29.5 | Very low | 27.4 | Very low | 141 Ų | 141 | 130.8 Ų | 130.8 | 65% | 0.653 | 68% | 0.681 | S | S | * | * | | | trans | 64.9 | 128.2 | 172.6 | -76.5 | -35.8 | 0 | 0 | 0 | 115 | | |
| 984 | Q | 25.8 | Very low | 27.7 | Very low | 154 Ų | 154 | 132 Ų | 132 | 72% | 0.72 | 68% | 0.679 | S | S | * | * | | | cis | 59.7 | 115.8 | 46.3 | -53.6 | 170.9 | -57.7 | 0 | 0 | 112.7 | | |
| 985 | N | 27.5 | Very low | 27.7 | Very low | 122 Ų | 122 | 129.4 Ų | 129.4 | 65% | 0.652 | 67% | 0.666 | S | S | * | * | | | | -175 | 131 | 110.9 | -89.4 | -2.7 | 0 | 0 | 0 | 108.6 | | |
| 986 | D | 28.2 | Very low | 28 | Very low | 108 Ų | 108 | 132 Ų | 132 | 58% | 0.578 | 67% | 0.672 | S | S | * | * | | | | 44.1 | 123.6 | 126.6 | -39.6 | -25 | 0 | 0 | 0 | 117.4 | | |
| 987 | K | 32 | Very low | 27.9 | Very low | 174 Ų | 174 | 129.7 Ų | 129.7 | 76% | 0.757 | 66% | 0.661 | S | S | * | * | | | | -155.8 | 132.6 | 60.8 | -116.9 | 104.4 | -167.8 | 171.9 | 0 | 113.7 | | |
| 988 | H | 28.1 | Very low | 28 | Very low | 148 Ų | 148 | 132 Ų | 132 | 69% | 0.685 | 67% | 0.665 | S | S | * | * | | | | 56.4 | 151.3 | 118.5 | -94 | -111.8 | 0 | 0 | 0 | 121.3 | | |
| 989 | I | 29.6 | Very low | 28.2 | Very low | 127 Ų | 127 | 128.6 Ų | 128.6 | 65% | 0.651 | 65% | 0.654 | S | S | * | * | | | trans | 71 | 105.2 | 152.1 | -72.5 | 160 | 0 | 0 | 0 | 109.3 | | |
| 990 | N | 26.3 | Very low | 28.4 | Very low | 129 Ų | 129 | 129.9 Ų | 129.9 | 69% | 0.69 | 65% | 0.653 | S | S | * | * | | | | 50.7 | 148 | 75.9 | -52.5 | 2 | 0 | 0 | 0 | 109 | | |
| 991 | Q | 28 | Very low | 28.6 | Very low | 126 Ų | 126 | 129.3 Ų | 129.3 | 59% | 0.589 | 65% | 0.65 | S | S | * | * | | | cis | 177 | 163.8 | 31.6 | -145.7 | 157.7 | -72.8 | 0 | 0 | 101.8 | | |
| 992 | H | 28.4 | Very low | 28.7 | Very low | 140 Ų | 140 | 126 Ų | 126 | 65% | 0.648 | 65% | 0.649 | S | S | * | * | | | trans | 69 | 132.5 | 162 | -59.8 | -56.8 | 0 | 0 | 0 | 114.3 | | |
| 993 | D | 28.7 | Very low | 28.6 | Very low | 109 Ų | 109 | 125.2 Ų | 125.2 | 58% | 0.583 | 65% | 0.654 | S | S | * | * | | | cis | -161.6 | -177.8 | 0.9 | -127.9 | -1.1 | 0 | 0 | 0 | 117 | | |
| 994 | L | 31 | Very low | 28.5 | Very low | 123 Ų | 123 | 123.2 Ų | 123.2 | 64% | 0.644 | 65% | 0.652 | S | S | * | * | | | | 4.7 | 132.8 | 123.4 | -79.7 | 66.1 | 0 | 0 | 0 | 114.2 | | |
| 995 | D | 27.9 | Very low | 28.5 | Very low | 103 Ų | 103 | 122.5 Ų | 122.5 | 55% | 0.551 | 65% | 0.653 | S | S | * | * | | | cis | -168.2 | 175.3 | 13.9 | -131.1 | -28.1 | 0 | 0 | 0 | 115.4 | | |
| 996 | H | 29.7 | Very low | 28.5 | Very low | 144 Ų | 144 | 121.4 Ų | 121.4 | 67% | 0.667 | 66% | 0.655 | S | S | * | * | | | trans | 60.1 | 131.9 | 143.6 | -68.8 | 0.5 | 0 | 0 | 0 | 116.2 | | |
| 997 | S | 26.7 | Very low | 28.4 | Very low | 80 Ų | 80 | 121 Ų | 121 | 56% | 0.559 | 66% | 0.661 | S | S | * | * | | | | 54 | 139.7 | 61 | 106 | 0 | 0 | 0 | 0 | 111.5 | | |
| 998 | M | 30.7 | Very low | 28.1 | Very low | 149 Ų | 149 | 117 Ų | 117 | 73% | 0.734 | 66% | 0.655 | S | S | * | * | | | cis | -115.7 | 146.7 | 24.5 | -76.4 | -93.5 | 78.4 | 0 | 0 | 110.1 | | |
| 999 | S | 29.6 | Very low | 28.1 | Very low | 73 Ų | 73 | 117.8 Ų | 117.8 | 51% | 0.51 | 66% | 0.663 | S | S | . | * | | | | 41.1 | 120.9 | 88.3 | 94.5 | 0 | 0 | 0 | 0 | 113.8 | | |
| 1000 | D | 28.1 | Very low | 28 | Very low | 124 Ų | 124 | 115.8 Ų | 115.8 | 66% | 0.663 | 66% | 0.661 | S | S | * | * | | | | -174.1 | 119.9 | 102.7 | -92.5 | -3.1 | 0 | 0 | 0 | 110.1 | | |
| 1001 | I | 29.4 | Very low | 28 | Very low | 134 Ų | 134 | 115 Ų | 115 | 69% | 0.687 | 66% | 0.657 | S | S | * | * | | | | 79.5 | 102.4 | 96.7 | -69.8 | 176 | 0 | 0 | 0 | 111.5 | | |
| 1002 | C | 29 | Very low | 28.2 | Very low | 117 Ų | 117 | 116.7 Ų | 116.7 | 79% | 0.791 | 66% | 0.664 | S | S | * | * | | | trans | 63 | -175.1 | 155.7 | -54.8 | 0 | 0 | 0 | 0 | 113.9 | | |
| 1003 | S | 27.1 | Very low | 28.2 | Very low | 104 Ų | 104 | 115.8 Ų | 115.8 | 73% | 0.727 | 67% | 0.669 | S | S | * | * | | | cis | -136.8 | 161.5 | -8.8 | -149.8 | 0 | 0 | 0 | 0 | 113.6 | | |
| 1004 | T | 26.5 | Very low | 28.3 | Very low | 100 Ų | 100 | 116 Ų | 116 | 61% | 0.613 | 67% | 0.673 | S | S | * | * | | | trans | -44.6 | 159.9 | 159.4 | 58.9 | 0 | 0 | 0 | 0 | 114.6 | | |
| 1005 | N | 26.5 | Very low | 28.3 | Very low | 139 Ų | 139 | 117.7 Ų | 117.7 | 74% | 0.743 | 68% | 0.683 | S | S | * | * | | | trans | 83.8 | 130.9 | 149.7 | -55.6 | -28.9 | 0 | 0 | 0 | 120.2 | | |
| 1006 | S | 27 | Very low | 28.3 | Very low | 99 Ų | 99 | 116 Ų | 116 | 69% | 0.692 | 69% | 0.69 | S | S | * | * | | | trans | 57.5 | 120.6 | 131.9 | 68.7 | 0 | 0 | 0 | 0 | 121.7 | | |
| 1007 | S | 25.6 | Very low | 28.3 | Very low | 98 Ų | 98 | 116.3 Ų | 116.3 | 69% | 0.685 | 70% | 0.695 | S | S | * | * | | | | 70.7 | 138.8 | 127.7 | 64.2 | 0 | 0 | 0 | 0 | 121.9 | | |
| 1008 | S | 26 | Very low | 28.3 | Very low | 91 Ų | 91 | 118.1 Ų | 118.1 | 64% | 0.636 | 70% | 0.699 | S | S | * | * | | | trans | 66.5 | 121 | 136.8 | 60.7 | 0 | 0 | 0 | 0 | 120.7 | | |
| 1009 | L | 27.5 | Very low | 28.2 | Very low | 165 Ų | 165 | 121 Ų | 121 | 86% | 0.864 | 70% | 0.703 | S | S | * | * | | | trans | 65.8 | 159.5 | 149.7 | -84.3 | 70.7 | 0 | 0 | 0 | 114.8 | | |
| 1010 | S | 27.3 | Very low | 28.1 | Very low | 85 Ų | 85 | 122 Ų | 122 | 59% | 0.594 | 71% | 0.709 | S | S | * | * | | | cis | -152.5 | -172.5 | -19.4 | 41.2 | 0 | 0 | 0 | 0 | 105.7 | | |
| 1011 | D | 28.2 | Very low | 28.1 | Very low | 113 Ų | 113 | 126 Ų | 126 | 60% | 0.604 | 72% | 0.717 | S | S | * | * | | | cis | -175.8 | 164.3 | 36.3 | -123.8 | -42.1 | 0 | 0 | 0 | 111.4 | | |
| 1012 | H | 30.6 | Very low | 28.2 | Very low | 160 Ų | 160 | 124.6 Ų | 124.6 | 74% | 0.741 | 72% | 0.716 | S | S | * | * | | | trans | 61.1 | 140.6 | 153.5 | -58.1 | -0.9 | 0 | 0 | 0 | 118.3 | | |
| 1013 | T | 29.8 | Very low | 28.2 | Very low | 122 Ų | 122 | 125.5 Ų | 125.5 | 75% | 0.748 | 72% | 0.718 | S | S | * | * | | | cis | -160.4 | 155.3 | -3 | 21.7 | 0 | 0 | 0 | 0 | 106 | | |
| 1014 | T | 30.4 | Very low | 28.4 | Very low | 112 Ų | 112 | 127.9 Ų | 127.9 | 69% | 0.687 | 72% | 0.723 | S | S | * | * | | | cis | -157.2 | 150.5 | 18.6 | -12.2 | 0 | 0 | 0 | 0 | 110 | | |
| 1015 | N | 31.4 | Very low | 28.3 | Very low | 159 Ų | 159 | 128.3 Ų | 128.3 | 85% | 0.85 | 73% | 0.73 | S | S | * | * | | | trans | 40.1 | 124.9 | 154.4 | -55 | -14.6 | 0 | 0 | 0 | 120.8 | | |
| 1016 | G | 28 | Very low | 28.4 | Very low | 67 Ų | 67 | 129.9 Ų | 129.9 | 69% | 0.691 | 74% | 0.737 | S | S | * | * | | | cis | 144.4 | 158.8 | -6.2 | 0 | 0 | 0 | 0 | 0 | 113.5 | | |
| 1017 | I | 28.5 | Very low | 28.3 | Very low | 152 Ų | 152 | 129.6 Ų | 129.6 | 78% | 0.779 | 74% | 0.736 | S | S | * | * | | | trans | 64.6 | 131.5 | 155.9 | -58.6 | 171.5 | 0 | 0 | 0 | 116.9 | | |
| 1018 | N | 26.8 | Very low | 28.3 | Very low | 118 Ų | 118 | 132.2 Ų | 132.2 | 63% | 0.631 | 74% | 0.741 | S | S | * | * | | | cis | -164.7 | -173.8 | -15.4 | -98.1 | -7.6 | 0 | 0 | 0 | 105.3 | | |
| 1019 | Y | 29.4 | Very low | 28.3 | Very low | 210 Ų | 210 | 132.4 Ų | 132.4 | 82% | 0.824 | 74% | 0.743 | S | S | * | * | | | cis | -142.1 | 176.5 | 13.4 | -78.5 | -83.8 | 0 | 0 | 0 | 110.1 | | |
| 1020 | S | 26.4 | Very low | 28.2 | Very low | 92 Ų | 92 | 131.8 Ų | 131.8 | 64% | 0.643 | 74% | 0.739 | S | S | * | * | | | trans | -161.3 | -179 | -174.1 | 47.9 | 0 | 0 | 0 | 0 | 113.8 | | |
| 1021 | Y | 27.8 | Very low | 28.2 | Very low | 210 Ų | 210 | 134.1 Ų | 134.1 | 82% | 0.824 | 75% | 0.745 | S | S | * | * | | | trans | 76.4 | 165.3 | 169.1 | -61.6 | -74.6 | 0 | 0 | 0 | 119 | | |
| 1022 | P | 33.1 | Very low | 28.2 | Very low | 104 Ų | 104 | 137 Ų | 137 | 68% | 0.675 | 75% | 0.752 | S | S | * | * | | | cis | -116.9 | 170.4 | -13.3 | 15.3 | 9.5 | 0 | 0 | 0 | 112.1 | | |
| 1023 | T | 29 | Very low | 28 | Very low | 135 Ų | 135 | 135.9 Ų | 135.9 | 83% | 0.828 | 75% | 0.747 | S | S | * | * | | | | -164.9 | 141 | 68.9 | 43.6 | 0 | 0 | 0 | 0 | 114.2 | | |
| 1024 | N | 29.5 | Very low | 28 | Very low | 154 Ų | 154 | 136.3 Ų | 136.3 | 82% | 0.824 | 74% | 0.739 | S | S | * | * | | | trans | -47.3 | 155.7 | -173.8 | -55.3 | -13.1 | 0 | 0 | 0 | 119.2 | | |
| 1025 | S | 24.6 | Very low | 27.9 | Very low | 110 Ų | 110 | 140.1 Ų | 140.1 | 77% | 0.769 | 74% | 0.741 | S | S | * | * | | | trans | -72.2 | 165 | 158.1 | 52.1 | 0 | 0 | 0 | 0 | 112.9 | | |
| 1026 | L | 28.5 | Very low | 27.9 | Very low | 171 Ų | 171 | 139.9 Ų | 139.9 | 90% | 0.895 | 73% | 0.732 | S | S | * | * | | | trans | -163.2 | 171.2 | 141.3 | -110.7 | 168 | 0 | 0 | 0 | 110.8 | | |
| 1027 | S | 25 | Very low | 27.9 | Very low | 94 Ų | 94 | 142.8 Ų | 142.8 | 66% | 0.657 | 73% | 0.728 | S | S | * | * | | | trans | -125.7 | -167 | -166 | 58.7 | 0 | 0 | 0 | 0 | 112.6 | | |
| 1028 | L | 27.3 | Very low | 28 | Very low | 152 Ų | 152 | 141.1 Ų | 141.1 | 80% | 0.796 | 72% | 0.72 | S | S | * | * | | | trans | 85.4 | 111.9 | 164.4 | -64.1 | 159.9 | 0 | 0 | 0 | 119.7 | | |
| 1029 | S | 25.9 | Very low | 28.1 | Very low | 96 Ų | 96 | 143.9 Ų | 143.9 | 67% | 0.671 | 73% | 0.727 | S | S | * | * | | | | 57.1 | 131.3 | 123.4 | 78.4 | 0 | 0 | 0 | 0 | 122.7 | | |
| 1030 | L | 25.4 | Very low | 28.1 | Very low | 152 Ų | 152 | 138.1 Ų | 138.1 | 80% | 0.796 | 72% | 0.718 | S | S | * | * | | | trans | 50.9 | 118.2 | 135.2 | -102.1 | 72.7 | 0 | 0 | 0 | 120.6 | | |
| 1031 | N | 25.8 | Very low | 28.1 | Very low | 134 Ų | 134 | 140.7 Ų | 140.7 | 72% | 0.717 | 72% | 0.724 | S | S | * | * | | | trans | 80.5 | 153 | 131.1 | -105.8 | -50.6 | 0 | 0 | 0 | 120.7 | | |
| 1032 | K | 29.4 | Very low | 28.1 | Very low | 172 Ų | 172 | 135.9 Ų | 135.9 | 75% | 0.748 | 72% | 0.716 | S | S | * | * | | | trans | 69.9 | 82.5 | 158.6 | -67.4 | 162.6 | -174 | 169.1 | 0 | 118.9 | | |
| 1033 | E | 26.4 | Very low | 27.8 | Very low | 137 Ų | 137 | 137.9 Ų | 137.9 | 64% | 0.64 | 72% | 0.72 | S | S | * | * | | | | 27.2 | 106.6 | 96.5 | -167.4 | -124 | 160.2 | 0 | 0 | 116.1 | | |
| 1034 | K | 30.1 | Very low | 27.8 | Very low | 131 Ų | 131 | 137.1 Ų | 137.1 | 57% | 0.57 | 72% | 0.715 | S | S | * | * | | | | 175.9 | 125 | 114.5 | -95.5 | 173.3 | 175.7 | 74 | 0 | 114.2 | | |
| 1035 | R | 28.3 | Very low | 27.7 | Very low | 193 Ų | 193 | 134.9 Ų | 134.9 | 73% | 0.728 | 71% | 0.707 | S | S | * | * | | | trans | 63.9 | 135.3 | 131 | -69.4 | 176.1 | 176.7 | -175.5 | -3 | 121.3 | | |
| 1036 | K | 29.7 | Very low | 27.9 | Very low | 153 Ų | 153 | 133.7 Ų | 133.7 | 67% | 0.665 | 70% | 0.696 | S | S | * | * | | | trans | 74.8 | 142.2 | 137.9 | -72.8 | 173 | 160.5 | -102.1 | 0 | 116.1 | | |
| 1037 | E | 29.5 | Very low | 28 | Very low | 129 Ų | 129 | 131.9 Ų | 131.9 | 60% | 0.603 | 69% | 0.687 | S | S | * | * | | | cis | -160.9 | 179.5 | -0.1 | -132.7 | 151.1 | -171.7 | 0 | 0 | 113.2 | | |
| 1038 | N | 29.7 | Very low | 28.2 | Very low | 116 Ų | 116 | 132.8 Ų | 132.8 | 62% | 0.62 | 68% | 0.684 | S | S | * | * | | | trans | 80.7 | 104.7 | 149.4 | -69.3 | -7.6 | 0 | 0 | 0 | 121.7 | | |
| 1039 | F | 29.5 | Very low | 28.4 | Very low | 177 Ų | 177 | 132.6 Ų | 132.6 | 78% | 0.776 | 68% | 0.679 | S | S | * | * | | | trans | 70.5 | 131.6 | 132.7 | -62.9 | -56.8 | 0 | 0 | 0 | 119.8 | | |
| 1040 | S | 28.6 | Very low | 28.7 | Very low | 89 Ų | 89 | 134.7 Ų | 134.7 | 62% | 0.622 | 68% | 0.683 | S | S | * | * | | | cis | -150.5 | 146.9 | 8.6 | -90.2 | 0 | 0 | 0 | 0 | 114 | | |
| 1041 | N | 27.7 | Very low | 28.9 | Very low | 145 Ų | 145 | 132.2 Ų | 132.2 | 78% | 0.775 | 68% | 0.678 | S | S | * | * | | | trans | 57.6 | 122.1 | 142.9 | -60.5 | 0.1 | 0 | 0 | 0 | 119.7 | | |
| 1042 | T | 26.6 | Very low | 29.2 | Very low | 109 Ų | 109 | 130.4 Ų | 130.4 | 67% | 0.669 | 68% | 0.676 | S | S | * | * | | | cis | -148.1 | 122.2 | -0.3 | -64.3 | 0 | 0 | 0 | 0 | 111 | | |
| 1043 | I | 27.4 | Very low | 29.1 | Very low | 146 Ų | 146 | 132 Ų | 132 | 75% | 0.749 | 68% | 0.679 | S | S | * | * | | | trans | -99.1 | 126.6 | 153.8 | -66.1 | 172 | 0 | 0 | 0 | 107.1 | T1045 | I1043-T1045 HydrophobicContact CG2-CG2 4.48Š|
| 1044 | T | 28.2 | Very low | 29.3 | Very low | 119 Ų | 119 | 131 Ų | 131 | 73% | 0.73 | 69% | 0.687 | S | S | * | * | | | trans | -152.7 | 122.7 | 153.2 | 42.5 | 0 | 0 | 0 | 0 | 110.2 | | |
| 1045 | T | 28.4 | Very low | 29.2 | Very low | 107 Ų | 107 | 129.6 Ų | 129.6 | 66% | 0.656 | 69% | 0.693 | S | S | * | * | | | cis | -157.7 | 133.8 | -21.7 | -6.9 | 0 | 0 | 0 | 0 | 109.8 | I1043 | I1043-T1045 HydrophobicContact CG2-CG2 4.48Š|
| 1046 | T | 28.9 | Very low | 29.2 | Very low | 85 Ų | 85 | 126.6 Ų | 126.6 | 52% | 0.521 | 70% | 0.696 | S | S | . | * | | | trans | 7.1 | 137.3 | 142.5 | 59.1 | 0 | 0 | 0 | 0 | 120.1 | | |
| 1047 | N | 29.7 | Very low | 29.1 | Very low | 134 Ų | 134 | 124.1 Ų | 124.1 | 72% | 0.717 | 70% | 0.697 | S | S | * | * | | | | -170.4 | 117 | 102.5 | -86.2 | -25 | 0 | 0 | 0 | 108.8 | | |
| 1048 | N | 30.1 | Very low | 29.1 | Very low | 113 Ų | 113 | 126.4 Ų | 126.4 | 60% | 0.604 | 71% | 0.706 | S | S | * | * | | | | 76.1 | 133.7 | 80.7 | -65.2 | -1.5 | 0 | 0 | 0 | 111.6 | | |
| 1049 | H | 31.6 | Very low | 29.2 | Very low | 148 Ų | 148 | 129.8 Ų | 129.8 | 69% | 0.685 | 72% | 0.715 | S | S | * | * | | | cis | -145.8 | 151.8 | 27.5 | -99.6 | -69 | 0 | 0 | 0 | 114.2 | | |
| 1050 | N | 30.7 | Very low | 29.1 | Very low | 140 Ų | 140 | 129.3 Ų | 129.3 | 75% | 0.749 | 72% | 0.715 | S | S | * | * | | | trans | 59.4 | 136.3 | 145.7 | -52.4 | -6.1 | 0 | 0 | 0 | 119.8 | | |
| 1051 | S | 30.8 | Very low | 29.2 | Very low | 100 Ų | 100 | 135.5 Ų | 135.5 | 70% | 0.699 | 72% | 0.724 | S | S | * | * | | | cis | -169 | 144.2 | -8.3 | 48 | 0 | 0 | 0 | 0 | 111.3 | | |
| 1052 | S | 31.2 | Very low | 29.2 | Very low | 96 Ų | 96 | 134.5 Ų | 134.5 | 67% | 0.671 | 72% | 0.723 | S | S | * | * | | | trans | 53.7 | 141 | 143.6 | -59.3 | 0 | 0 | 0 | 0 | 121.4 | | |
| 1053 | Y | 28.1 | Very low | 29.1 | Very low | 206 Ų | 206 | 136.3 Ų | 136.3 | 81% | 0.808 | 73% | 0.728 | S | S | * | * | | | cis | -166.2 | 146 | -12.8 | -106.8 | -56.1 | 0 | 0 | 0 | 108 | | |
| 1054 | S | 29.8 | Very low | 29.2 | Very low | 115 Ų | 115 | 135.3 Ų | 135.3 | 80% | 0.804 | 73% | 0.731 | S | S | * | * | | | trans | 61 | 164 | 163.5 | 73.4 | 0 | 0 | 0 | 0 | 118.4 | | |
| 1055 | S | 28.7 | Very low | 29.2 | Very low | 101 Ų | 101 | 136.6 Ų | 136.6 | 71% | 0.706 | 73% | 0.733 | S | S | * | * | | | cis | -162.8 | 147.4 | -39.8 | 55.1 | 0 | 0 | 0 | 0 | 110.4 | | |
| 1056 | V | 29 | Very low | 29.2 | Very low | 130 Ų | 130 | 136 Ų | 136 | 79% | 0.788 | 73% | 0.729 | S | S | * | * | | | trans | 68.9 | 105.7 | 167.6 | -167.9 | 0 | 0 | 0 | 0 | 118 | | |
| 1057 | C | 27.4 | Very low | 29.1 | Very low | 102 Ų | 102 | 138.1 Ų | 138.1 | 69% | 0.689 | 74% | 0.744 | S | S | * | * | | | trans | 36.2 | 129.7 | 142.5 | -50.9 | 0 | 0 | 0 | 0 | 122.2 | | |
| 1058 | F | 29.7 | Very low | 28.9 | Very low | 177 Ų | 177 | 139.1 Ų | 139.1 | 78% | 0.776 | 75% | 0.749 | S | S | * | * | | | cis | -160.1 | 127.5 | -18.4 | -116.3 | -65 | 0 | 0 | 0 | 109.7 | | |
| 1059 | K | 31.6 | Very low | 28.8 | Very low | 186 Ų | 186 | 138.8 Ų | 138.8 | 81% | 0.809 | 76% | 0.756 | S | S | * | * | | | trans | 8 | 111.5 | 164.4 | -59.5 | 176.2 | -177.9 | -179.7 | 0 | 117.4 | | |
| 1060 | H | 27.8 | Very low | 28.5 | Very low | 168 Ų | 168 | 136.9 Ų | 136.9 | 78% | 0.778 | 76% | 0.759 | S | S | * | * | | | | 58 | 129.2 | 55.7 | -87.6 | -53.4 | 0 | 0 | 0 | 118.8 | | |
| 1061 | R | 30.1 | Very low | 28.4 | Very low | 219 Ų | 219 | 141.1 Ų | 141.1 | 83% | 0.826 | 77% | 0.766 | S | S | * | * | | | trans | 71.7 | 122.7 | 142 | -74.2 | 178.7 | 174.1 | 166.7 | -1.3 | 121.5 | | |
| 1062 | T | 27.7 | Very low | 28.2 | Very low | 123 Ų | 123 | 144.2 Ų | 144.2 | 76% | 0.755 | 77% | 0.77 | S | S | * | * | | | trans | -14 | 134.2 | 136.4 | 21.4 | 0 | 0 | 0 | 0 | 118 | | |
| 1063 | L | 23.9 | Very low | 28.1 | Very low | 148 Ų | 148 | 147.3 Ų | 147.3 | 78% | 0.775 | 77% | 0.768 | S | S | * | * | | | trans | 44.3 | 112.5 | 146.8 | -66 | 171.8 | 0 | 0 | 0 | 119.6 | | |
| 1064 | P | 30.5 | Very low | 28.1 | Very low | 124 Ų | 124 | 144.8 Ų | 144.8 | 81% | 0.805 | 76% | 0.764 | S | S | * | * | | | trans | -96.4 | 139.6 | 135.7 | 34.1 | -27.2 | 0 | 0 | 0 | 110.8 | | |
| 1065 | L | 28.3 | Very low | 28 | Very low | 146 Ų | 146 | 146.8 Ų | 146.8 | 76% | 0.764 | 76% | 0.76 | S | S | * | * | | | trans | -80.7 | 142.1 | 167.9 | -84.9 | 70 | 0 | 0 | 0 | 110.2 | | |
| 1066 | V | 27.2 | Very low | 27.9 | Very low | 96 Ų | 96 | 147.9 Ų | 147.9 | 58% | 0.582 | 76% | 0.758 | S | S | * | * | | | trans | 40.8 | 118.1 | 136 | -177.9 | 0 | 0 | 0 | 0 | 118.4 | N1068 | V1066-N1068 HydrophobicContact CG1-CB 4.07Å; V1066-N1068 VanDerWaalsContact CG1-N 3.35Å; V1066-N1068 VanDerWaalsContact CG1-OD1 3.25Å; V1066-N1068 WeakPolarHBondContact CG1-OD1 3.2Å |
| 1067 | P | 27.5 | Very low | 27.9 | Very low | 129 Ų | 129 | 152 Ų | 152 | 84% | 0.838 | 76% | 0.761 | S | S | * | * | | | trans | -96 | 117.9 | 132.4 | -14.5 | 31.2 | 0 | 0 | 0 | 110.5 | | |
| 1068 | N | 24.7 | Very low | 27.9 | Very low | 154 Ų | 154 | 154.3 Ų | 154.3 | 82% | 0.824 | 76% | 0.761 | S | S | * | * | | | trans | -84.8 | 114.9 | 168.2 | -88.7 | -13.4 | 0 | 0 | 0 | 108.5 | V1066 | V1066-N1068 HydrophobicContact CG1-CB 4.07Å; V1066-N1068 VanDerWaalsContact CG1-N 3.35Å; V1066-N1068 VanDerWaalsContact CG1-OD1 3.25Å; V1066-N1068 WeakPolarHBondContact CG1-OD1 3.2Å |
| 1069 | S | 28.4 | Very low | 27.8 | Very low | 107 Ų | 107 | 152.3 Ų | 152.3 | 75% | 0.748 | 76% | 0.758 | S | S | * | * | | | trans | -144.1 | 79.2 | 161.8 | 63.3 | 0 | 0 | 0 | 0 | 109.6 | Y1071 | S1069-Y1071 PolarHBondContact O-N 3.37Š|
| 1070 | S | 25.4 | Very low | 27.7 | Very low | 107 Ų | 107 | 149 Ų | 149 | 75% | 0.748 | 75% | 0.754 | S | S | * | * | | | trans | -55.5 | 122.9 | 172.3 | 48.4 | 0 | 0 | 0 | 0 | 112.5 | | |
| 1071 | Y | 27.6 | Very low | 27.7 | Very low | 230 Ų | 230 | 147.5 Ų | 147.5 | 90% | 0.902 | 75% | 0.75 | S | S | * | * | | | trans | -148.1 | 104.7 | 148.8 | -80.6 | -65.7 | 0 | 0 | 0 | 109.3 | S1069 | S1069-Y1071 PolarHBondContact O-N 3.37Š|
| 1072 | E | 28.1 | Very low | 27.6 | Very low | 164 Ų | 164 | 140.5 Ų | 140.5 | 77% | 0.766 | 73% | 0.729 | S | S | * | * | | | trans | -77.8 | 147.8 | 162.6 | -67.3 | -177.5 | 104.7 | 0 | 0 | 109.6 | | |
| 1073 | Y | 28.5 | Very low | 27.6 | Very low | 162 Ų | 162 | 138.6 Ų | 138.6 | 64% | 0.635 | 72% | 0.717 | S | S | * | * | | | trans | -146.6 | 111.6 | 143.9 | -113.9 | -76.3 | 0 | 0 | 0 | 109.9 | D79 K80 | D79-Y1073 WeakPolarHBondContact CA-OH 3.34Å; D79-Y1073 PolarHBondContact N-OH 2.89Å; K80-Y1073 PolarHBondContact N-OH 3.07Å |
| 1074 | Q | 27.7 | Very low | 27.8 | Very low | 153 Ų | 153 | 135 Ų | 135 | 72% | 0.715 | 70% | 0.704 | S | S | * | * | | | trans | -76.7 | 151.5 | 164.9 | -64 | -178.7 | -6.4 | 0 | 0 | 109.6 | | |
| 1075 | H | 29 | Very low | 27.7 | Very low | 157 Ų | 157 | 134.1 Ų | 134.1 | 73% | 0.727 | 70% | 0.701 | S | S | * | * | | | trans | -153.9 | 123 | 134.7 | -99.8 | -59.4 | 0 | 0 | 0 | 111.5 | | |
| 1076 | N | 26.4 | Very low | 27.6 | Very low | 123 Ų | 123 | 132.7 Ų | 132.7 | 66% | 0.658 | 70% | 0.703 | S | S | * | * | | | trans | 26.8 | 127.7 | 145.1 | -55 | -20.9 | 0 | 0 | 0 | 119.6 | | |
| 1077 | Y | 28 | Very low | 27.7 | Very low | 218 Ų | 218 | 134 Ų | 134 | 86% | 0.855 | 72% | 0.716 | S | S | * | * | | | | -151.8 | 138 | 94.9 | -99.4 | -74.1 | 0 | 0 | 0 | 111.8 | | |
| 1078 | H | 28.6 | Very low | 27.5 | Very low | 150 Ų | 150 | 133.1 Ų | 133.1 | 69% | 0.694 | 71% | 0.714 | S | S | * | * | | | trans | 32.4 | 122.1 | 155.6 | -83.5 | -16.3 | 0 | 0 | 0 | 122.1 | | |
| 1079 | N | 26.9 | Very low | 27.6 | Very low | 134 Ų | 134 | 132.4 Ų | 132.4 | 72% | 0.717 | 72% | 0.715 | S | S | * | * | | | | 75.9 | 131.7 | 78.5 | -77.5 | 31.2 | 0 | 0 | 0 | 113 | | |
| 1080 | T | 28.5 | Very low | 27.5 | Very low | 118 Ų | 118 | 132.6 Ų | 132.6 | 72% | 0.724 | 72% | 0.716 | S | S | * | * | | | cis | -149.2 | 162.1 | 3.2 | -55 | 0 | 0 | 0 | 0 | 109.7 | | |
| 1081 | I | 28.7 | Very low | 27.5 | Very low | 135 Ų | 135 | 133.6 Ų | 133.6 | 69% | 0.692 | 72% | 0.718 | S | S | * | * | | | trans | -120 | 161.8 | -177.9 | -37.4 | 177.6 | 0 | 0 | 0 | 111.5 | | |
| 1082 | L | 28.4 | Very low | 27.3 | Very low | 72 Ų | 72 | 128.3 Ų | 128.3 | 38% | 0.377 | 72% | 0.715 | S | S | . | * | | | trans | 107.8 | 112.7 | 150.2 | -67.6 | 125.7 | 0 | 0 | 0 | 119.9 | N1169 T1170 T1171 | L1082-N1169 CarbonylContact O-C 3.52Å; L1082-N1169 WeakPolarHBondContact O-CA 3.49Å; L1082-N1169 VanDerWaalsContact O-CG 3.29Å; L1082-N1169 PolarHBondContact O-OD1 3.33Å; L1082-T1170 HydrophobicContact CB-CG2 3.88Å; L1082-T1170 WeakPolarHBondContact O-CA 3.33Å; L1082-T1170 PolarHBondContact O-N 3.25Å; L1082-T1171 HydrophobicContact CD1-CG2 4.04Å; L1082-T1171 HydrophobicContact CD2-CG2 4.08Å; L1082-T1171 HydrophobicContact CG-CG2 4.48Å |
| 1083 | T | 28.2 | Very low | 27.3 | Very low | 83 Ų | 83 | 126.8 Ų | 126.8 | 51% | 0.509 | 71% | 0.711 | S | S | . | * | | | | 63.6 | 160.8 | 121.2 | 65.8 | 0 | 0 | 0 | 0 | 126.2 | N1169 T1170 T1171 | T1083-N1169 CarbonylContact O-C 3.39Å; T1083-N1169 WeakPolarHBondContact O-CA 3.25Å; T1083-T1170 PolarHBondContact O-N 2.93Å; T1083-T1170 VanDerWaalsContact OG1-C 3.27Å; T1083-T1170 VanDerWaalsContact OG1-CA 3.25Å; T1083-T1170 WeakPolarHBondContact OG1-CA 3.45Å; T1083-T1170 PolarHBondContact OG1-N 3.08Å; T1083-T1171 PolarHBondContact OG1-N 2.8Å |
| 1084 | S | 27.5 | Very low | 27.2 | Very low | 73 Ų | 73 | 122.6 Ų | 122.6 | 51% | 0.51 | 71% | 0.706 | S | S | . | * | | | trans | 114.9 | 144.9 | 150.2 | 74 | 0 | 0 | 0 | 0 | 117.2 | | |
| 1085 | S | 28.4 | Very low | 27.1 | Very low | 106 Ų | 106 | 120 Ų | 120 | 74% | 0.741 | 70% | 0.704 | S | S | * | * | | | trans | 70.4 | 74.8 | 167.2 | -54.1 | 0 | 0 | 0 | 0 | 120.7 | | |
| 1086 | S | 26.6 | Very low | 27.1 | Very low | 115 Ų | 115 | 116.8 Ų | 116.8 | 80% | 0.804 | 70% | 0.7 | S | S | * | * | | | trans | 40.8 | 99.5 | 133.2 | 61 | 0 | 0 | 0 | 0 | 121.8 | | |
| 1087 | S | 27.5 | Very low | 27.3 | Very low | 123 Ų | 123 | 117.5 Ų | 117.5 | 86% | 0.86 | 70% | 0.699 | S | S | * | * | | | trans | -168.1 | 176.9 | 130.7 | 54.3 | 0 | 0 | 0 | 0 | 110.9 | | |
| 1088 | S | 24.6 | Very low | 27.3 | Very low | 111 Ų | 111 | 114.4 Ų | 114.4 | 78% | 0.776 | 69% | 0.69 | S | S | * | * | | | trans | -85.6 | 127.8 | -170.6 | 53 | 0 | 0 | 0 | 0 | 114.2 | | |
| 1089 | T | 27.3 | Very low | 27.2 | Very low | 139 Ų | 139 | 113.9 Ų | 113.9 | 85% | 0.853 | 69% | 0.69 | S | S | * | * | | | trans | -158.3 | 169.5 | 155.2 | -2.4 | 0 | 0 | 0 | 0 | 112.2 | | |
| 1090 | S | 25.6 | Very low | 27 | Very low | 111 Ų | 111 | 114 Ų | 114 | 78% | 0.776 | 70% | 0.696 | S | S | * | * | | | trans | -75.3 | 128.6 | -167.7 | 49.8 | 0 | 0 | 0 | 0 | 115 | | |
| 1091 | T | 24.5 | Very low | 26.9 | Very low | 128 Ų | 128 | 111.7 Ų | 111.7 | 79% | 0.785 | 68% | 0.682 | S | S | * | * | | | trans | -83.1 | 113.1 | 162.4 | 37.3 | 0 | 0 | 0 | 0 | 110.7 | L1093 | T1091-L1093 PolarHBondContact O-N 3.46Š|
| 1092 | S | 24.4 | Very low | 26.6 | Very low | 119 Ų | 119 | 113.1 Ų | 113.1 | 83% | 0.832 | 69% | 0.688 | S | S | * | * | | | trans | -73.1 | 115.3 | 169.9 | 43.2 | 0 | 0 | 0 | 0 | 110.1 | | |
| 1093 | L | 27.1 | Very low | 26.5 | Very low | 132 Ų | 132 | 112.3 Ų | 112.3 | 69% | 0.691 | 69% | 0.686 | S | S | * | * | | | trans | -78.9 | 125.9 | 176.5 | -63.5 | 170 | 0 | 0 | 0 | 109.8 | T1091 | T1091-L1093 PolarHBondContact O-N 3.46Š|
| 1094 | S | 26.9 | Very low | 26.4 | Very low | 75 Ų | 75 | 113.3 Ų | 113.3 | 52% | 0.524 | 69% | 0.692 | S | S | . | * | | | trans | -66.3 | 145 | -178.2 | -177 | 0 | 0 | 0 | 0 | 112.1 | S1096 Q1097 | S1094-S1096 PolarHBondContact O-N 3.01Å; S1094-Q1097 PolarHBondContact O-N 3Å |
| 1095 | S | 26.7 | Very low | 26.3 | Very low | 98 Ų | 98 | 115.4 Ų | 115.4 | 69% | 0.685 | 69% | 0.689 | S | S | * | * | G | 310 helix | trans | -55.7 | -25.9 | -176.2 | -166.3 | 0 | 0 | 0 | 0 | 113.6 | Q1097 F1098 | S1095-Q1097 PolarHBondContact O-N 3.45Å; S1095-F1098 PolarHBondContact O-N 3.49Å |
| 1096 | S | 27.6 | Very low | 26.5 | Very low | 90 Ų | 90 | 117.2 Ų | 117.2 | 63% | 0.629 | 68% | 0.68 | S | S | * | * | G | 310 helix | trans | -63.9 | -17.7 | 176.6 | 56.3 | 0 | 0 | 0 | 0 | 114.8 | S1094 F1098 | S1094-S1096 PolarHBondContact O-N 3.01Å; S1096-F1098 VanDerWaalsContact C-N 3.33Å; S1096-F1098 PolarHBondContact O-N 3.4Å |
| 1097 | Q | 30.5 | Very low | 26.8 | Very low | 138 Ų | 138 | 115.6 Ų | 115.6 | 65% | 0.645 | 66% | 0.661 | S | S | * | * | G | 310 helix | trans | -85.2 | 0.4 | -178.8 | -65.7 | -179.1 | -17.4 | 0 | 0 | 114 | S1094 S1095 M1099 | S1094-Q1097 PolarHBondContact O-N 3Å; S1095-Q1097 PolarHBondContact O-N 3.45Å; Q1097-M1099 VanDerWaalsContact C-N 3.27Å; Q1097-M1099 PolarHBondContact O-N 2.73Å |
| 1098 | F | 28.6 | Very low | 27.8 | Very low | 153 Ų | 153 | 112.8 Ų | 112.8 | 67% | 0.671 | 63% | 0.633 | S | S | * | * | G | 310 helix | trans | -78.2 | 2.3 | 179.8 | -86.1 | -91.5 | 0 | 0 | 0 | 115.5 | S1095 S1096 T1100 | S1095-F1098 PolarHBondContact O-N 3.49Å; S1096-F1098 VanDerWaalsContact C-N 3.33Å; S1096-F1098 PolarHBondContact O-N 3.4Å; F1098-T1100 PolarHBondContact O-N 3.48Å |
| 1099 | M | 25.8 | Very low | 29.2 | Very low | 138 Ų | 138 | 111.2 Ų | 111.2 | 68% | 0.68 | 62% | 0.616 | S | S | * | * | | | trans | -83.9 | 80.5 | -169 | -69.4 | -62.6 | 105.5 | 0 | 0 | 114.5 | Q1097 | Q1097-M1099 VanDerWaalsContact C-N 3.27Å; Q1097-M1099 PolarHBondContact O-N 2.73Å |
| 1100 | T | 23 | Very low | 30.6 | Very low | 137 Ų | 137 | 109.3 Ų | 109.3 | 84% | 0.84 | 61% | 0.609 | S | S | * | * | | | | 177 | 95.2 | 121.3 | 38.2 | 0 | 0 | 0 | 0 | 110.4 | F1098 M1102 | F1098-T1100 PolarHBondContact O-N 3.48Å; T1100-M1102 PolarHBondContact O-N 2.96Å |
| 1101 | P | 26.3 | Very low | 32.3 | Very low | 69 Ų | 69 | 110.5 Ų | 110.5 | 45% | 0.448 | 60% | 0.6 | S | S | . | * | | | trans | -80.6 | 113.9 | 170.8 | 31.1 | -31.6 | 0 | 0 | 0 | 110.6 | V1103 | P1101-V1103 VanDerWaalsContact C-N 3.28Å; P1101-V1103 HydrophobicContact CB-CG2 4.01Å; P1101-V1103 HydrophobicContact CG-CG2 4.3Å; P1101-V1103 PolarHBondContact O-N 2.92Å |
| 1102 | M | 23.6 | Very low | 33.7 | Very low | 166 Ų | 166 | 105.3 Ų | 105.3 | 82% | 0.818 | 57% | 0.567 | S | S | * | * | | | trans | -71.7 | 87.3 | 164.7 | -170.1 | -178.4 | 76.7 | 0 | 0 | 109.1 | T1100 T1104 | T1100-M1102 PolarHBondContact O-N 2.96Å; M1102-T1104 VanDerWaalsContact C-N 3.35Å; M1102-T1104 HydrophobicContact CE-CG2 4.37Å; M1102-T1104 PolarHBondContact O-N 2.87Å |
| 1103 | V | 25.6 | Very low | 35.3 | Very low | 54 Ų | 54 | 103.2 Ų | 103.2 | 33% | 0.327 | 55% | 0.545 | S | S | . | . | | | trans | -78 | 86.8 | 178.2 | -170.5 | 0 | 0 | 0 | 0 | 109.5 | P1101 W1105 | P1101-V1103 VanDerWaalsContact C-N 3.28Å; P1101-V1103 HydrophobicContact CB-CG2 4.01Å; P1101-V1103 HydrophobicContact CG-CG2 4.3Å; P1101-V1103 PolarHBondContact O-N 2.92Å; V1103-W1105 HydrophobicContact CG1-CD2 3.76Å; V1103-W1105 HydrophobicContact CG1-CE3 4.47Å; V1103-W1105 HydrophobicContact CG1-CG 3.92Å; V1103-W1105 HydrophobicContact CG1-CZ2 4.03Å; V1103-W1105 PolarHBondContact O-N 3.23Å |
| 1104 | T | 25.6 | Very low | 37.2 | Very low | 104 Ų | 104 | 103 Ų | 103 | 64% | 0.638 | 54% | 0.536 | S | S | * | . | | | trans | -71.4 | 105 | 144.9 | 55 | 0 | 0 | 0 | 0 | 107 | M1102 | M1102-T1104 VanDerWaalsContact C-N 3.35Å; M1102-T1104 HydrophobicContact CE-CG2 4.37Å; M1102-T1104 PolarHBondContact O-N 2.87Å |
| 1105 | W | 26.1 | Very low | 39 | Very low | 118 Ų | 118 | 101.9 Ų | 101.9 | 45% | 0.447 | 52% | 0.521 | S | S | . | . | | | trans | -61.1 | 153.1 | 155.3 | -52.8 | 95.1 | 0 | 0 | 0 | 108.1 | V1103 A1409 Y1640 | V1103-W1105 HydrophobicContact CG1-CD2 3.76Å; V1103-W1105 HydrophobicContact CG1-CE3 4.47Å; V1103-W1105 HydrophobicContact CG1-CG 3.92Å; V1103-W1105 HydrophobicContact CG1-CZ2 4.03Å; V1103-W1105 PolarHBondContact O-N 3.23Å; W1105-A1409 HydrophobicContact CH2-CB 4Å; W1105-A1409 HydrophobicContact CZ2-CB 3.57Å; W1105-Y1640 HydrophobicContact CB-CD2 4.22Å; W1105-Y1640 HydrophobicContact CB-CE1 4.13Å; W1105-Y1640 HydrophobicContact CB-CE2 3.76Å; W1105-Y1640 WeakPolarHBondContact O-CE2 3.49Å; W1105-Y1640 PolarHBondContact O-OH 2.89Å |
| 1106 | R | 32.8 | Very low | 40.7 | Very low | 144 Ų | 144 | 98 Ų | 98 | 54% | 0.543 | 49% | 0.492 | S | S | . | . | | | trans | -155.6 | 134.4 | 150.4 | -82.3 | -154.4 | 175 | 174.1 | 1.6 | 105.5 | K1108 S1326 Y1640 | R1106-K1108 PolarHBondContact O-N 3.22Å; R1106-S1326 PolarHBondContact NH1-O 3.48Å; R1106-Y1640 HydrophobicContact CB-CE2 4.44Å; R1106-Y1640 HydrophobicContact CG-CE2 4.1Å |
| 1107 | I | 32.6 | Very low | 42.5 | Very low | 80 Ų | 80 | 100.5 Ų | 100.5 | 41% | 0.41 | 49% | 0.492 | S | S | . | . | P | Polyproline II helix | trans | -52.7 | 118.7 | 163.2 | -58.4 | 174.1 | 0 | 0 | 0 | 105.6 | D1109 S1639 | I1107-D1109 PolarHBondContact O-N 3.49Å; I1107-S1639 WeakPolarHBondContact CD1-O 3.27Å |
| 1108 | K | 48.8 | Very low | 44.5 | Very low | 64 Ų | 64 | 96.9 Ų | 96.9 | 28% | 0.278 | 47% | 0.474 | S | S | . | . | P | Polyproline II helix | trans | -70.3 | 119.4 | -179.2 | -69.3 | -176.5 | -176.3 | -178.6 | 0 | 107.8 | R1106 E1112 I1113 D1116 | R1106-K1108 PolarHBondContact O-N 3.22Å; K1108-E1112 HydrophobicContact CB-CB 4.14Å; K1108-I1113 HydrophobicContact CB-CD1 4.27Å; K1108-I1113 HydrophobicContact CB-CG1 3.64Å; K1108-I1113 HydrophobicContact CD-CG1 4.47Å; K1108-I1113 WeakPolarHBondContact O-CD1 3.07Å; K1108-D1116 IonicContact NZ-OD2 3.95Å; K1108-D1116 PolarHBondContact NZ-OD2 2.99Å |
| 1109 | D | 53.1 | Low | 46.4 | Very low | 78 Ų | 78 | 89.7 Ų | 89.7 | 42% | 0.417 | 44% | 0.443 | S | S | . | . | P | Polyproline II helix | trans | -46.7 | 148.8 | 169.9 | -58.1 | -29.1 | 0 | 0 | 0 | 109.9 | I1107 K1111 E1112 I1113 | I1107-D1109 PolarHBondContact O-N 3.49Å; D1109-K1111 HydrophobicContact CB-CB 4.37Å; D1109-K1111 CarbonylContact O-C 3.55Å; D1109-K1111 PolarHBondContact O-N 3.41Å; D1109-E1112 HydrophobicContact CB-CG 4.29Å; D1109-E1112 WeakPolarHBondContact O-CA 3.45Å; D1109-E1112 PolarHBondContact O-N 3.35Å; D1109-I1113 PolarHBondContact O-N 2.86Å |
| 1110 | S | 57.8 | Low | 48.4 | Very low | 100 Ų | 100 | 85.2 Ų | 85.2 | 70% | 0.699 | 42% | 0.421 | S | S | * | . | H | α-helix | trans | -51.3 | -30.7 | 173 | 57.9 | 0 | 0 | 0 | 0 | 112.6 | Y1114 | S1110-Y1114 WeakPolarHBondContact O-CB 3.5Å; S1110-Y1114 PolarHBondContact O-N 3.43Å |
| 1111 | K | 61 | Low | 50.7 | Low | 135 Ų | 135 | 87 Ų | 87 | 59% | 0.587 | 41% | 0.413 | S | S | * | . | H | α-helix | trans | -66.1 | -44.4 | 170.9 | -64.8 | 174.5 | -177.5 | 169.7 | 0 | 113.3 | D1109 Y1114 Y1115 | D1109-K1111 HydrophobicContact CB-CB 4.37Å; D1109-K1111 CarbonylContact O-C 3.55Å; D1109-K1111 PolarHBondContact O-N 3.41Å; K1111-Y1114 WeakPolarHBondContact O-CB 3.36Å; K1111-Y1114 PolarHBondContact O-N 2.89Å; K1111-Y1115 HydrophobicContact CB-CE2 4.4Å; K1111-Y1115 WeakPolarHBondContact O-CD2 3.4Å; K1111-Y1115 PolarHBondContact O-N 3.28Å |
| 1112 | E | 53.4 | Low | 52.8 | Low | 20 Ų | 20 | 84.2 Ų | 84.2 | 9% | 0.093 | 39% | 0.394 | C | S | . | . | H | α-helix | trans | -68.9 | -38 | 176.1 | -62.9 | -145.1 | 154.5 | 0 | 0 | 111.6 | K1108 D1109 Y1114 Y1115 D1116 N1322 | K1108-E1112 HydrophobicContact CB-CB 4.14Å; D1109-E1112 HydrophobicContact CB-CG 4.29Å; D1109-E1112 WeakPolarHBondContact O-CA 3.45Å; D1109-E1112 PolarHBondContact O-N 3.35Å; E1112-Y1114 VanDerWaalsContact C-N 3.33Å; E1112-Y1114 PolarHBondContact O-N 3.38Å; E1112-Y1115 PolarHBondContact O-N 2.93Å; E1112-D1116 WeakPolarHBondContact O-CB 3.25Å; E1112-D1116 PolarHBondContact O-N 3.09Å; E1112-N1322 WeakPolarHBondContact CG-ND2 3.48Å; E1112-N1322 PolarHBondContact OE1-ND2 2.81Å |
| 1113 | I | 59.4 | Low | 54.8 | Low | 74 Ų | 74 | 77.3 Ų | 77.3 | 38% | 0.379 | 36% | 0.36 | S | S | . | . | H | α-helix | trans | -61.7 | -42.4 | 172.3 | -61.5 | 174.7 | 0 | 0 | 0 | 110.7 | K1108 D1109 D1116 K1117 | K1108-I1113 HydrophobicContact CB-CD1 4.27Å; K1108-I1113 HydrophobicContact CB-CG1 3.64Å; K1108-I1113 HydrophobicContact CD-CG1 4.47Å; K1108-I1113 WeakPolarHBondContact O-CD1 3.07Å; D1109-I1113 PolarHBondContact O-N 2.86Å; I1113-D1116 PolarHBondContact O-N 3.36Å; I1113-K1117 HydrophobicContact CG2-CD 4.29Å; I1113-K1117 WeakPolarHBondContact O-CB 3.46Å; I1113-K1117 WeakPolarHBondContact O-CG 3.26Å; I1113-K1117 PolarHBondContact O-N 2.91Å |
| 1114 | Y | 66.7 | Low | 57 | Low | 127 Ų | 127 | 80.4 Ų | 80.4 | 50% | 0.498 | 37% | 0.371 | S | S | . | . | H | α-helix | trans | -61 | -46.8 | 174.3 | 175.8 | -91.1 | 0 | 0 | 0 | 112 | S1110 K1111 E1112 K1118 | S1110-Y1114 WeakPolarHBondContact O-CB 3.5Å; S1110-Y1114 PolarHBondContact O-N 3.43Å; K1111-Y1114 WeakPolarHBondContact O-CB 3.36Å; K1111-Y1114 PolarHBondContact O-N 2.89Å; E1112-Y1114 VanDerWaalsContact C-N 3.33Å; E1112-Y1114 PolarHBondContact O-N 3.38Å; Y1114-K1118 HydrophobicContact CE1-CD 3.77Å; Y1114-K1118 VanDerWaalsContact O-CB 3.3Å; Y1114-K1118 WeakPolarHBondContact O-CB 3.44Å; Y1114-K1118 PolarHBondContact O-N 3.33Å; Y1114-K1118 PolarHBondContact OH-NZ 3.3Å |
| 1115 | Y | 65 | Low | 59.1 | Low | 52 Ų | 52 | 79.5 Ų | 79.5 | 20% | 0.204 | 36% | 0.36 | C | S | . | . | H | α-helix | trans | -66.5 | -38.2 | 178 | -67.3 | -49.4 | 0 | 0 | 0 | 112.7 | K1111 E1112 K1118 L1119 Y1315 L1318 | K1111-Y1115 HydrophobicContact CB-CE2 4.4Å; K1111-Y1115 WeakPolarHBondContact O-CD2 3.4Å; K1111-Y1115 PolarHBondContact O-N 3.28Å; E1112-Y1115 PolarHBondContact O-N 2.93Å; Y1115-K1118 CarbonylContact O-C 3.58Å; Y1115-K1118 PolarHBondContact O-N 3.28Å; Y1115-L1119 WeakPolarHBondContact O-CB 3.48Å; Y1115-L1119 VanDerWaalsContact O-CG 3.3Å; Y1115-L1119 WeakPolarHBondContact O-CG 3.48Å; Y1115-L1119 PolarHBondContact O-N 3.45Å; Y1115-Y1315 AromaticContact CD1-CD1 3.79Å; Y1115-Y1315 HydrophobicContact CD1-CD1 3.79Å; Y1115-Y1315 HydrophobicContact CD1-CE1 4.34Å; Y1115-Y1315 HydrophobicContact CE1-CD1 4.05Å; Y1115-Y1315 HydrophobicContact CE1-CE1 4.32Å; Y1115-L1318 HydrophobicContact CE1-CD1 4.29Å |
| 1116 | D | 60.7 | Low | 61.1 | Low | 16 Ų | 16 | 74.1 Ų | 74.1 | 9% | 0.086 | 34% | 0.34 | C | S | . | . | H | α-helix | trans | -65 | -45.9 | 176.5 | -80 | 10.7 | 0 | 0 | 0 | 111.5 | K1108 E1112 I1113 K1118 L1119 L1120 R1319 | K1108-D1116 IonicContact NZ-OD2 3.95Å; K1108-D1116 PolarHBondContact NZ-OD2 2.99Å; E1112-D1116 WeakPolarHBondContact O-CB 3.25Å; E1112-D1116 PolarHBondContact O-N 3.09Å; I1113-D1116 PolarHBondContact O-N 3.36Å; D1116-K1118 PolarHBondContact O-N 3.39Å; D1116-L1119 PolarHBondContact O-N 3.23Å; D1116-L1120 PolarHBondContact O-N 3.22Å; D1116-R1319 VanDerWaalsContact CG-NH2 3.28Å; D1116-R1319 IonicContact OD1-CZ 3.4Å; D1116-R1319 IonicContact OD1-NE 3.44Å; D1116-R1319 PolarHBondContact OD1-NE 3.24Å; D1116-R1319 IonicContact OD1-NH2 3.08Å; D1116-R1319 PolarHBondContact OD1-NH2 3.33Å; D1116-R1319 IonicContact OD2-NH2 2.57Å; D1116-R1319 PolarHBondContact OD2-NH2 2.98Å |
| 1117 | K | 66.9 | Low | 62.8 | Low | 143 Ų | 143 | 69.7 Ų | 69.7 | 62% | 0.622 | 33% | 0.329 | S | S | * | . | H | α-helix | trans | -59.6 | -34.7 | 173.2 | -73.6 | 179.9 | 178.3 | -177.3 | 0 | 112.2 | I1113 R1121 | I1113-K1117 HydrophobicContact CG2-CD 4.29Å; I1113-K1117 WeakPolarHBondContact O-CB 3.46Å; I1113-K1117 WeakPolarHBondContact O-CG 3.26Å; I1113-K1117 PolarHBondContact O-N 2.91Å; K1117-R1121 WeakPolarHBondContact O-CG 3.42Å; K1117-R1121 PolarHBondContact O-N 3.19Å |
| 1118 | K | 70.9 | Confident | 64 | Low | 63 Ų | 63 | 71.3 Ų | 71.3 | 27% | 0.274 | 34% | 0.339 | S | S | . | . | H | α-helix | trans | -81.4 | -27.1 | -179.7 | -154.2 | 167 | -166.5 | -175.7 | 0 | 113.3 | Y1114 Y1115 D1116 L1122 Y1315 | Y1114-K1118 HydrophobicContact CE1-CD 3.77Å; Y1114-K1118 VanDerWaalsContact O-CB 3.3Å; Y1114-K1118 WeakPolarHBondContact O-CB 3.44Å; Y1114-K1118 PolarHBondContact O-N 3.33Å; Y1114-K1118 PolarHBondContact OH-NZ 3.3Å; Y1115-K1118 CarbonylContact O-C 3.58Å; Y1115-K1118 PolarHBondContact O-N 3.28Å; D1116-K1118 PolarHBondContact O-N 3.39Å; K1118-L1122 WeakPolarHBondContact O-CD1 3.35Å; K1118-L1122 VanDerWaalsContact O-CG 3.31Å; K1118-L1122 WeakPolarHBondContact O-CG 3.32Å; K1118-L1122 PolarHBondContact O-N 2.87Å; K1118-Y1315 HydrophobicContact CD-CD1 4.45Å; K1118-Y1315 HydrophobicContact CD-CE1 3.77Å; K1118-Y1315 HydrophobicContact CD-CE2 4.23Å; K1118-Y1315 WeakPolarHBondContact CE-OH 3.45Å; K1118-Y1315 HydrophobicContact CG-CE2 4.35Å; K1118-Y1315 PolarHBondContact NZ-OH 3.08Å |
| 1119 | L | 69 | Low | 64.3 | Low | 1 Ų | 1 | 73.6 Ų | 73.6 | 1% | 0.005 | 35% | 0.354 | C | S | . | . | H | α-helix | trans | -69.2 | -46.9 | 168.3 | -77.3 | 167.2 | 0 | 0 | 0 | 110.5 | Y1115 D1116 R1121 L1122 I1123 L1145 L1312 | Y1115-L1119 WeakPolarHBondContact O-CB 3.48Å; Y1115-L1119 VanDerWaalsContact O-CG 3.3Å; Y1115-L1119 WeakPolarHBondContact O-CG 3.48Å; Y1115-L1119 PolarHBondContact O-N 3.45Å; D1116-L1119 PolarHBondContact O-N 3.23Å; L1119-R1121 PolarHBondContact O-N 3.31Å; L1119-L1122 PolarHBondContact O-N 3.35Å; L1119-I1123 WeakPolarHBondContact O-CG1 3.46Å; L1119-I1123 PolarHBondContact O-N 3.3Å; L1119-I1123 VanDerWaalsContact O-N 3.08Å; L1119-L1145 HydrophobicContact CB-CD2 4.35Å; L1119-L1312 HydrophobicContact CD2-CD1 3.77Å; L1119-L1312 HydrophobicContact CD2-CG 4.41Å |
| 1120 | L | 67.8 | Low | 64.6 | Low | 45 Ų | 45 | 73 Ų | 73 | 24% | 0.236 | 35% | 0.348 | C | S | . | . | H | α-helix | trans | -56.7 | -50.9 | 178.8 | -166.5 | 69.1 | 0 | 0 | 0 | 111.4 | D1116 L1122 I1123 E1124 | D1116-L1120 PolarHBondContact O-N 3.22Å; L1120-L1122 PolarHBondContact O-N 2.8Å; L1120-L1122 VanDerWaalsContact O-N 3.09Å; L1120-I1123 WeakPolarHBondContact O-CB 3.08Å; L1120-I1123 PolarHBondContact O-N 3.4Å; L1120-E1124 WeakPolarHBondContact CG-OE1 3.33Å; L1120-E1124 WeakPolarHBondContact O-CG 3.36Å; L1120-E1124 PolarHBondContact O-N 3.36Å |
| 1121 | R | 72.1 | Confident | 64.6 | Low | 173 Ų | 173 | 71.1 Ų | 71.1 | 65% | 0.653 | 33% | 0.328 | S | S | * | . | H | α-helix | trans | -59.1 | -20 | 174 | -74.2 | -177.9 | 176.6 | -170.7 | -1.1 | 115.6 | K1117 L1119 E1124 Q1125 | K1117-R1121 WeakPolarHBondContact O-CG 3.42Å; K1117-R1121 PolarHBondContact O-N 3.19Å; L1119-R1121 PolarHBondContact O-N 3.31Å; R1121-E1124 WeakPolarHBondContact CA-OE2 3.47Å; R1121-Q1125 VanDerWaalsContact O-CD 3.31Å; R1121-Q1125 VanDerWaalsContact O-CG 3.27Å; R1121-Q1125 WeakPolarHBondContact O-CG 3.47Å; R1121-Q1125 PolarHBondContact O-NE2 2.96Å |
| 1122 | L | 69.9 | Low | 64.2 | Low | 11 Ų | 11 | 70.7 Ų | 70.7 | 6% | 0.058 | 33% | 0.332 | C | S | . | . | H | α-helix | trans | -91.7 | -16.8 | 174.5 | -75 | 168.7 | 0 | 0 | 0 | 112.8 | K1118 L1119 L1120 I1308 R1311 L1312 Y1315 | K1118-L1122 WeakPolarHBondContact O-CD1 3.35Å; K1118-L1122 VanDerWaalsContact O-CG 3.31Å; K1118-L1122 WeakPolarHBondContact O-CG 3.32Å; K1118-L1122 PolarHBondContact O-N 2.87Å; L1119-L1122 PolarHBondContact O-N 3.35Å; L1120-L1122 PolarHBondContact O-N 2.8Å; L1120-L1122 VanDerWaalsContact O-N 3.09Å; L1122-I1308 HydrophobicContact CD2-CG2 4.24Å; L1122-I1308 WeakPolarHBondContact O-CG2 3.33Å; L1122-R1311 HydrophobicContact CD1-CB 3.85Å; L1122-R1311 HydrophobicContact CD2-CB 3.82Å; L1122-L1312 HydrophobicContact CB-CD1 3.99Å; L1122-Y1315 HydrophobicContact CD1-CD2 3.46Å; L1122-Y1315 VanDerWaalsContact CD1-CD2 3.46Å; L1122-Y1315 HydrophobicContact CD1-CE2 3.8Å |
| 1123 | I | 66.2 | Low | 64.4 | Low | 22 Ų | 22 | 70.7 Ų | 70.7 | 11% | 0.113 | 33% | 0.334 | C | S | . | . | H | α-helix | trans | -85.1 | -42.5 | 173.8 | -63.5 | 163.7 | 0 | 0 | 0 | 109.4 | L1119 L1120 Q1125 L1126 Q1131 I1134 L1138 L1145 L1312 | L1119-I1123 WeakPolarHBondContact O-CG1 3.46Å; L1119-I1123 PolarHBondContact O-N 3.3Å; L1119-I1123 VanDerWaalsContact O-N 3.08Å; L1120-I1123 WeakPolarHBondContact O-CB 3.08Å; L1120-I1123 PolarHBondContact O-N 3.4Å; I1123-Q1125 PolarHBondContact O-N 3.11Å; I1123-Q1125 VanDerWaalsContact O-N 3.11Å; I1123-L1126 WeakPolarHBondContact O-CB 3.38Å; I1123-L1126 PolarHBondContact O-N 3.27Å; I1123-Q1131 HydrophobicContact CG2-CB 4.41Å; I1123-Q1131 HydrophobicContact CG2-CG 4.25Å; I1123-Q1131 WeakPolarHBondContact O-CG 3.42Å; I1123-I1134 HydrophobicContact CD1-CG2 4.25Å; I1123-I1134 HydrophobicContact CG1-CG2 3.94Å; I1123-I1134 HydrophobicContact CG2-CG2 4.46Å; I1123-L1138 HydrophobicContact CD1-CD1 3.64Å; I1123-L1145 HydrophobicContact CD1-CD1 3.29Å; I1123-L1312 HydrophobicContact CD1-CD1 4.49Å; I1123-L1312 HydrophobicContact CG1-CD1 3.91Å |
| 1124 | E | 70.3 | Confident | 64.4 | Low | 118 Ų | 118 | 67.2 Ų | 67.2 | 55% | 0.551 | 32% | 0.317 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -54 | -26.9 | 170.7 | -68.5 | 163 | -175.7 | 0 | 0 | 113 | L1120 R1121 | L1120-E1124 WeakPolarHBondContact CG-OE1 3.33Å; L1120-E1124 WeakPolarHBondContact O-CG 3.36Å; L1120-E1124 PolarHBondContact O-N 3.36Å; R1121-E1124 WeakPolarHBondContact CA-OE2 3.47Å |
| 1125 | Q | 70 | Confident | 63.5 | Low | 85 Ų | 85 | 62.6 Ų | 62.6 | 40% | 0.397 | 31% | 0.307 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -82.5 | -5.7 | 177.2 | -72.6 | 174.7 | 13.1 | 0 | 0 | 114.2 | R1121 I1123 I1308 | R1121-Q1125 VanDerWaalsContact O-CD 3.31Å; R1121-Q1125 VanDerWaalsContact O-CG 3.27Å; R1121-Q1125 WeakPolarHBondContact O-CG 3.47Å; R1121-Q1125 PolarHBondContact O-NE2 2.96Å; I1123-Q1125 PolarHBondContact O-N 3.11Å; I1123-Q1125 VanDerWaalsContact O-N 3.11Å; Q1125-I1308 HydrophobicContact CB-CD1 3.9Å; Q1125-I1308 HydrophobicContact CB-CG1 4.3Å; Q1125-I1308 HydrophobicContact CB-CG2 4.22Å; Q1125-I1308 WeakPolarHBondContact O-CD1 3.3Å |
| 1126 | L | 69.1 | Low | 62.7 | Low | 5 Ų | 5 | 65.9 Ų | 65.9 | 3% | 0.026 | 33% | 0.328 | C | S | . | . | S | Bend | trans | -91.7 | 148 | 177.4 | -64.1 | 171.3 | 0 | 0 | 0 | 111.2 | I1123 Q1131 I1134 V1305 I1308 L1309 | I1123-L1126 WeakPolarHBondContact O-CB 3.38Å; I1123-L1126 PolarHBondContact O-N 3.27Å; L1126-Q1131 HydrophobicContact CB-CG 4.12Å; L1126-Q1131 WeakPolarHBondContact O-CG 3.33Å; L1126-Q1131 PolarHBondContact O-NE2 3.1Å; L1126-I1134 HydrophobicContact CD1-CB 4.22Å; L1126-I1134 HydrophobicContact CD1-CD1 4.08Å; L1126-I1134 HydrophobicContact CD1-CG1 3.79Å; L1126-I1134 HydrophobicContact CD1-CG2 4.43Å; L1126-V1305 HydrophobicContact CD2-CG1 4.03Å; L1126-I1308 HydrophobicContact CD2-CB 4.18Å; L1126-I1308 HydrophobicContact CD2-CG2 3.67Å; L1126-I1308 HydrophobicContact CG-CG2 4.01Å; L1126-L1309 HydrophobicContact CD1-CD2 4.48Å; L1126-L1309 HydrophobicContact CD2-CD2 4.27Å; L1126-L1309 HydrophobicContact CD2-CG 4.33Å |
| 1127 | P | 67.7 | Low | 62.6 | Low | 51 Ų | 51 | 66.8 Ų | 66.8 | 33% | 0.331 | 33% | 0.332 | S | S | . | . | | | trans | -55.7 | 144.4 | 167.6 | -24.2 | 34.3 | 0 | 0 | 0 | 112.1 | D1129 K1130 Q1131 | P1127-D1129 VanDerWaalsContact C-N 3.35Å; P1127-D1129 PolarHBondContact O-N 3.37Å; P1127-K1130 CarbonylContact O-C 3.59Å; P1127-K1130 WeakPolarHBondContact O-CA 3.08Å; P1127-K1130 WeakPolarHBondContact O-CB 3.34Å; P1127-K1130 PolarHBondContact O-N 3.38Å; P1127-Q1131 PolarHBondContact O-N 2.82Å |
| 1128 | N | 58.6 | Low | 62 | Low | 115 Ų | 115 | 60.2 Ų | 60.2 | 62% | 0.615 | 30% | 0.304 | S | S | * | . | H | α-helix | trans | -55.1 | -44.4 | -171 | -66.4 | -0.3 | 0 | 0 | 0 | 113.4 | K1130 Q1131 N1132 | N1128-K1130 PolarHBondContact O-N 3.31Å; N1128-K1130 VanDerWaalsContact O-N 3.11Å; N1128-Q1131 WeakPolarHBondContact O-CB 3.47Å; N1128-Q1131 PolarHBondContact O-N 2.98Å; N1128-Q1131 PolarHBondContact OD1-NE2 3.19Å; N1128-N1132 PolarHBondContact O-N 3.27Å |
| 1129 | D | 55.1 | Low | 60.8 | Low | 111 Ų | 111 | 62.6 Ų | 62.6 | 59% | 0.594 | 32% | 0.319 | S | S | * | . | H | α-helix | trans | -54.3 | -26.9 | 172.8 | 28.2 | -72.8 | 0 | 0 | 0 | 113.5 | P1127 S1133 | P1127-D1129 VanDerWaalsContact C-N 3.35Å; P1127-D1129 PolarHBondContact O-N 3.37Å; D1129-S1133 PolarHBondContact O-OG 3.49Å |
| 1130 | K | 59.8 | Low | 59.5 | Low | 67 Ų | 67 | 66.8 Ų | 66.8 | 29% | 0.291 | 35% | 0.354 | S | S | . | . | H | α-helix | trans | -95.6 | -22 | 174.6 | -65.8 | 172.1 | -172.4 | 165.5 | 0 | 113 | P1127 N1128 S1133 I1134 V1305 | P1127-K1130 CarbonylContact O-C 3.59Å; P1127-K1130 WeakPolarHBondContact O-CA 3.08Å; P1127-K1130 WeakPolarHBondContact O-CB 3.34Å; P1127-K1130 PolarHBondContact O-N 3.38Å; N1128-K1130 PolarHBondContact O-N 3.31Å; N1128-K1130 VanDerWaalsContact O-N 3.11Å; K1130-S1133 WeakPolarHBondContact O-CB 3.41Å; K1130-S1133 PolarHBondContact O-N 3.42Å; K1130-I1134 WeakPolarHBondContact O-CB 3.34Å; K1130-I1134 WeakPolarHBondContact O-CD1 3.37Å; K1130-I1134 PolarHBondContact O-N 2.79Å; K1130-V1305 HydrophobicContact CD-CG1 4.43Å |
| 1131 | Q | 58 | Low | 58.5 | Low | 59 Ų | 59 | 67.5 Ų | 67.5 | 28% | 0.276 | 36% | 0.357 | S | S | . | . | H | α-helix | trans | -62.2 | -48.3 | 172.8 | -65.2 | -179.6 | 16.2 | 0 | 0 | 111.2 | I1123 L1126 P1127 N1128 S1133 I1134 G1135 | I1123-Q1131 HydrophobicContact CG2-CB 4.41Å; I1123-Q1131 HydrophobicContact CG2-CG 4.25Å; I1123-Q1131 WeakPolarHBondContact O-CG 3.42Å; L1126-Q1131 HydrophobicContact CB-CG 4.12Å; L1126-Q1131 WeakPolarHBondContact O-CG 3.33Å; L1126-Q1131 PolarHBondContact O-NE2 3.1Å; P1127-Q1131 PolarHBondContact O-N 2.82Å; N1128-Q1131 WeakPolarHBondContact O-CB 3.47Å; N1128-Q1131 PolarHBondContact O-N 2.98Å; N1128-Q1131 PolarHBondContact OD1-NE2 3.19Å; Q1131-S1133 VanDerWaalsContact C-N 3.3Å; Q1131-S1133 PolarHBondContact O-N 2.89Å; Q1131-I1134 PolarHBondContact O-N 3Å; Q1131-G1135 PolarHBondContact O-N 3Å |
| 1132 | N | 51.3 | Low | 57.1 | Low | 126 Ų | 126 | 66.1 Ų | 66.1 | 67% | 0.674 | 36% | 0.362 | S | S | * | . | H | α-helix | trans | -58.6 | -42.5 | 175.7 | -73 | -17.4 | 0 | 0 | 0 | 111.9 | N1128 G1135 L1136 | N1128-N1132 PolarHBondContact O-N 3.27Å; N1132-G1135 PolarHBondContact O-N 3.25Å; N1132-L1136 WeakPolarHBondContact O-CG 3.38Å; N1132-L1136 PolarHBondContact O-N 3.03Å |
| 1133 | S | 58.9 | Low | 56 | Low | 20 Ų | 20 | 66.1 Ų | 66.1 | 14% | 0.14 | 36% | 0.363 | C | S | . | . | H | α-helix | trans | -61.5 | -44.4 | 176 | -63.9 | 0 | 0 | 0 | 0 | 112.7 | D1129 K1130 Q1131 L1136 I1137 | D1129-S1133 PolarHBondContact O-OG 3.49Å; K1130-S1133 WeakPolarHBondContact O-CB 3.41Å; K1130-S1133 PolarHBondContact O-N 3.42Å; Q1131-S1133 VanDerWaalsContact C-N 3.3Å; Q1131-S1133 PolarHBondContact O-N 2.89Å; S1133-L1136 PolarHBondContact O-N 2.93Å; S1133-I1137 WeakPolarHBondContact O-CD1 3.49Å; S1133-I1137 VanDerWaalsContact O-CG1 3.3Å; S1133-I1137 WeakPolarHBondContact O-CG1 3.4Å; S1133-I1137 PolarHBondContact O-N 3.06Å; S1133-I1137 VanDerWaalsContact O-N 3.11Å |
| 1134 | I | 57.7 | Low | 55.1 | Low | 2 Ų | 2 | 70.4 Ų | 70.4 | 1% | 0.01 | 38% | 0.38 | C | S | . | . | H | α-helix | trans | -68.9 | -36.3 | 175.9 | -91.5 | 65.1 | 0 | 0 | 0 | 110.9 | I1123 L1126 K1130 Q1131 I1137 L1138 L1201 L1309 L1312 | I1123-I1134 HydrophobicContact CD1-CG2 4.25Å; I1123-I1134 HydrophobicContact CG1-CG2 3.94Å; I1123-I1134 HydrophobicContact CG2-CG2 4.46Å; L1126-I1134 HydrophobicContact CD1-CB 4.22Å; L1126-I1134 HydrophobicContact CD1-CD1 4.08Å; L1126-I1134 HydrophobicContact CD1-CG1 3.79Å; L1126-I1134 HydrophobicContact CD1-CG2 4.43Å; K1130-I1134 WeakPolarHBondContact O-CB 3.34Å; K1130-I1134 WeakPolarHBondContact O-CD1 3.37Å; K1130-I1134 PolarHBondContact O-N 2.79Å; Q1131-I1134 PolarHBondContact O-N 3Å; I1134-I1137 PolarHBondContact O-N 3.39Å; I1134-L1138 HydrophobicContact CG2-CD1 3.65Å; I1134-L1138 HydrophobicContact CG2-CG 4.24Å; I1134-L1138 WeakPolarHBondContact O-CB 3.45Å; I1134-L1138 VanDerWaalsContact O-CG 3.23Å; I1134-L1138 WeakPolarHBondContact O-CG 3.28Å; I1134-L1138 PolarHBondContact O-N 3.33Å; I1134-L1201 HydrophobicContact CD1-CD1 4.47Å; I1134-L1201 HydrophobicContact CD1-CD2 4.01Å; I1134-L1309 HydrophobicContact CD1-CD2 4.06Å; I1134-L1309 HydrophobicContact CG1-CD2 4.38Å; I1134-L1312 HydrophobicContact CG1-CD2 3.95Å; I1134-L1312 HydrophobicContact CG2-CD2 4.02Å |
| 1135 | G | 48.1 | Very low | 53.6 | Low | 29 Ų | 29 | 67.1 Ų | 67.1 | 30% | 0.299 | 37% | 0.367 | S | S | . | . | H | α-helix | trans | -58.2 | -47.6 | 173.5 | 0 | 0 | 0 | 0 | 0 | 112.3 | Q1131 N1132 I1137 L1138 L1139 | Q1131-G1135 PolarHBondContact O-N 3Å; N1132-G1135 PolarHBondContact O-N 3.25Å; G1135-I1137 PolarHBondContact O-N 2.7Å; G1135-L1138 PolarHBondContact O-N 2.82Å; G1135-L1139 WeakPolarHBondContact O-CB 3.46Å; G1135-L1139 VanDerWaalsContact O-CG 3.31Å; G1135-L1139 WeakPolarHBondContact O-CG 3.35Å; G1135-L1139 PolarHBondContact O-N 3.39Å |
| 1136 | L | 49.8 | Very low | 51.9 | Low | 121 Ų | 121 | 70.5 Ų | 70.5 | 63% | 0.634 | 38% | 0.38 | S | S | * | . | H | α-helix | trans | -61.4 | -41.9 | 174.4 | -71.9 | 169.9 | 0 | 0 | 0 | 112.5 | N1132 S1133 L1139 A1140 | N1132-L1136 WeakPolarHBondContact O-CG 3.38Å; N1132-L1136 PolarHBondContact O-N 3.03Å; S1133-L1136 PolarHBondContact O-N 2.93Å; L1136-L1139 PolarHBondContact O-N 2.91Å; L1136-A1140 WeakPolarHBondContact O-CB 3.36Å; L1136-A1140 PolarHBondContact O-N 3.34Å |
| 1137 | I | 56.7 | Low | 50.1 | Low | 35 Ų | 35 | 75.7 Ų | 75.7 | 18% | 0.179 | 41% | 0.408 | C | S | . | . | H | α-helix | trans | -65.1 | -38.7 | 176.7 | -67.7 | 164.4 | 0 | 0 | 0 | 111.4 | S1133 I1134 G1135 A1140 M1141 L1197 A1200 | S1133-I1137 WeakPolarHBondContact O-CD1 3.49Å; S1133-I1137 VanDerWaalsContact O-CG1 3.3Å; S1133-I1137 WeakPolarHBondContact O-CG1 3.4Å; S1133-I1137 PolarHBondContact O-N 3.06Å; S1133-I1137 VanDerWaalsContact O-N 3.11Å; I1134-I1137 PolarHBondContact O-N 3.39Å; G1135-I1137 PolarHBondContact O-N 2.7Å; I1137-A1140 PolarHBondContact O-N 2.96Å; I1137-M1141 HydrophobicContact CG2-SD 4.28Å; I1137-M1141 VanDerWaalsContact O-CG 3.3Å; I1137-M1141 WeakPolarHBondContact O-CG 3.36Å; I1137-M1141 PolarHBondContact O-N 2.93Å; I1137-L1197 HydrophobicContact CD1-CD2 4.32Å; I1137-L1197 HydrophobicContact CG2-CD2 3.95Å; I1137-A1200 HydrophobicContact CD1-CB 4.08Å |
| 1138 | L | 54.7 | Low | 48.2 | Very low | 6 Ų | 6 | 82.9 Ų | 82.9 | 3% | 0.031 | 43% | 0.43 | C | S | . | . | H | α-helix | trans | -71.5 | -39.1 | 177.8 | -69.9 | 170.1 | 0 | 0 | 0 | 111.8 | I1123 I1134 G1135 M1141 D1142 V1143 L1145 L1316 | I1123-L1138 HydrophobicContact CD1-CD1 3.64Å; I1134-L1138 HydrophobicContact CG2-CD1 3.65Å; I1134-L1138 HydrophobicContact CG2-CG 4.24Å; I1134-L1138 WeakPolarHBondContact O-CB 3.45Å; I1134-L1138 VanDerWaalsContact O-CG 3.23Å; I1134-L1138 WeakPolarHBondContact O-CG 3.28Å; I1134-L1138 PolarHBondContact O-N 3.33Å; G1135-L1138 PolarHBondContact O-N 2.82Å; L1138-M1141 CarbonylContact O-C 3.51Å; L1138-M1141 PolarHBondContact O-N 3.43Å; L1138-M1141 VanDerWaalsContact O-N 3.08Å; L1138-D1142 PolarHBondContact O-N 2.88Å; L1138-V1143 HydrophobicContact CB-CB 4.08Å; L1138-V1143 HydrophobicContact CB-CG1 4.32Å; L1138-V1143 HydrophobicContact CD2-CB 4.03Å; L1138-V1143 HydrophobicContact CD2-CG1 3.86Å; L1138-V1143 HydrophobicContact CD2-CG2 4.49Å; L1138-V1143 WeakPolarHBondContact O-CA 3.28Å; L1138-V1143 WeakPolarHBondContact O-CB 3.45Å; L1138-V1143 PolarHBondContact O-N 3.32Å; L1138-L1145 HydrophobicContact CD1-CD1 3.84Å; L1138-L1316 HydrophobicContact CD2-CD1 3.76Å; L1138-L1316 HydrophobicContact CD2-CD2 3.97Å |
| 1139 | L | 46.4 | Very low | 46.9 | Very low | 113 Ų | 113 | 81.6 Ų | 81.6 | 59% | 0.592 | 42% | 0.423 | S | S | * | . | H | α-helix | trans | -60.8 | -45 | 171.4 | -74.3 | 166.9 | 0 | 0 | 0 | 111.4 | G1135 L1136 M1141 D1142 | G1135-L1139 WeakPolarHBondContact O-CB 3.46Å; G1135-L1139 VanDerWaalsContact O-CG 3.31Å; G1135-L1139 WeakPolarHBondContact O-CG 3.35Å; G1135-L1139 PolarHBondContact O-N 3.39Å; L1136-L1139 PolarHBondContact O-N 2.91Å; L1139-M1141 PolarHBondContact O-N 3.38Å; L1139-D1142 PolarHBondContact O-N 2.9Å; L1139-D1142 VanDerWaalsContact O-N 3.11Å |
| 1140 | A | 41.9 | Very low | 45.7 | Very low | 89 Ų | 89 | 83.4 Ų | 83.4 | 74% | 0.736 | 43% | 0.431 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.5 | -2.2 | 174.1 | 0 | 0 | 0 | 0 | 0 | 114.5 | L1136 I1137 | L1136-A1140 WeakPolarHBondContact O-CB 3.36Å; L1136-A1140 PolarHBondContact O-N 3.34Å; I1137-A1140 PolarHBondContact O-N 2.96Å |
| 1141 | M | 45.6 | Very low | 44.1 | Very low | 60 Ų | 60 | 86.8 Ų | 86.8 | 30% | 0.296 | 45% | 0.452 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -117.1 | 15.3 | 175.2 | -70.5 | -178.2 | 60.4 | 0 | 0 | 113.1 | I1137 L1138 L1139 V1143 L1193 L1316 I1320 | I1137-M1141 HydrophobicContact CG2-SD 4.28Å; I1137-M1141 VanDerWaalsContact O-CG 3.3Å; I1137-M1141 WeakPolarHBondContact O-CG 3.36Å; I1137-M1141 PolarHBondContact O-N 2.93Å; L1138-M1141 CarbonylContact O-C 3.51Å; L1138-M1141 PolarHBondContact O-N 3.43Å; L1138-M1141 VanDerWaalsContact O-N 3.08Å; L1139-M1141 PolarHBondContact O-N 3.38Å; M1141-V1143 HydrophobicContact CB-CG2 4.22Å; M1141-V1143 PolarHBondContact O-N 3.39Å; M1141-V1143 VanDerWaalsContact O-N 3.16Å; M1141-L1193 HydrophobicContact CE-CD1 3.78Å; M1141-L1193 HydrophobicContact CE-CD2 4.41Å; M1141-L1193 HydrophobicContact SD-CD1 4.19Å; M1141-L1316 HydrophobicContact CE-CD1 4.27Å; M1141-L1316 HydrophobicContact CE-CD2 3.7Å; M1141-L1316 HydrophobicContact CE-CG 3.89Å; M1141-L1316 HydrophobicContact SD-CD2 3.92Å; M1141-I1320 HydrophobicContact CE-CD1 3.71Å |
| 1142 | D | 44.1 | Very low | 42.6 | Very low | 143 Ų | 143 | 92.9 Ų | 92.9 | 77% | 0.765 | 48% | 0.478 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 55.8 | 24.7 | -173.5 | -76.4 | -49.1 | 0 | 0 | 0 | 114.2 | L1138 L1139 K1144 | L1138-D1142 PolarHBondContact O-N 2.88Å; L1139-D1142 PolarHBondContact O-N 2.9Å; L1139-D1142 VanDerWaalsContact O-N 3.11Å; D1142-K1144 PolarHBondContact O-N 2.97Å |
| 1143 | V | 45.7 | Very low | 41.2 | Very low | 11 Ų | 11 | 91.7 Ų | 91.7 | 7% | 0.067 | 48% | 0.48 | C | S | . | . | | | trans | -91 | 77.3 | 177.7 | 178.8 | 0 | 0 | 0 | 0 | 110.2 | L1138 M1141 L1145 L1316 | L1138-V1143 HydrophobicContact CB-CB 4.08Å; L1138-V1143 HydrophobicContact CB-CG1 4.32Å; L1138-V1143 HydrophobicContact CD2-CB 4.03Å; L1138-V1143 HydrophobicContact CD2-CG1 3.86Å; L1138-V1143 HydrophobicContact CD2-CG2 4.49Å; L1138-V1143 WeakPolarHBondContact O-CA 3.28Å; L1138-V1143 WeakPolarHBondContact O-CB 3.45Å; L1138-V1143 PolarHBondContact O-N 3.32Å; M1141-V1143 HydrophobicContact CB-CG2 4.22Å; M1141-V1143 PolarHBondContact O-N 3.39Å; M1141-V1143 VanDerWaalsContact O-N 3.16Å; V1143-L1145 HydrophobicContact CG1-CG 4.34Å; V1143-L1145 PolarHBondContact O-N 3.41Å; V1143-L1145 VanDerWaalsContact O-N 3.1Å; V1143-L1316 HydrophobicContact CG2-CD1 3.9Å |
| 1144 | K | 47.2 | Very low | 39.9 | Very low | 112 Ų | 112 | 97 Ų | 97 | 49% | 0.487 | 51% | 0.512 | S | S | . | . | | | trans | -62.4 | 108.1 | 162.8 | -65.7 | -175.4 | 179.8 | -178 | 0 | 109.6 | D1142 | D1142-K1144 PolarHBondContact O-N 2.97Š|
| 1145 | L | 39.6 | Very low | 38.3 | Very low | 50 Ų | 50 | 103.9 Ų | 103.9 | 26% | 0.262 | 55% | 0.549 | S | S | . | . | | | trans | -90.6 | 128.7 | 159.9 | -71.8 | 169.3 | 0 | 0 | 0 | 107.7 | L1119 I1123 L1138 V1143 | L1119-L1145 HydrophobicContact CB-CD2 4.35Å; I1123-L1145 HydrophobicContact CD1-CD1 3.29Å; L1138-L1145 HydrophobicContact CD1-CD1 3.84Å; V1143-L1145 HydrophobicContact CG1-CG 4.34Å; V1143-L1145 PolarHBondContact O-N 3.41Å; V1143-L1145 VanDerWaalsContact O-N 3.1Å |
| 1146 | F | 34.3 | Very low | 37.4 | Very low | 155 Ų | 155 | 109.4 Ų | 109.4 | 68% | 0.68 | 58% | 0.576 | S | S | * | * | | | trans | -87.5 | 116.3 | 170.6 | -78 | -96.4 | 0 | 0 | 0 | 107.8 | Y1148 | F1146-Y1148 PolarHBondContact O-N 2.94Š|
| 1147 | N | 32 | Very low | 36.3 | Very low | 115 Ų | 115 | 108.2 Ų | 108.2 | 62% | 0.615 | 57% | 0.574 | S | S | * | * | | | trans | -78.1 | 108.2 | 175.7 | -163.8 | 21.2 | 0 | 0 | 0 | 109.1 | N1149 | N1147-N1149 PolarHBondContact ND2-OD1 3.24Å; N1147-N1149 PolarHBondContact O-N 3.49Å |
| 1148 | Y | 28 | Very low | 34.9 | Very low | 201 Ų | 201 | 116.1 Ų | 116.1 | 79% | 0.788 | 60% | 0.603 | S | S | * | * | | | trans | -85.4 | 96 | 176.9 | -140.2 | -84.4 | 0 | 0 | 0 | 107 | F1146 I1150 | F1146-Y1148 PolarHBondContact O-N 2.94Å; Y1148-I1150 PolarHBondContact O-N 3.35Å |
| 1149 | N | 29.9 | Very low | 33.7 | Very low | 89 Ų | 89 | 122.6 Ų | 122.6 | 48% | 0.476 | 63% | 0.633 | S | S | . | * | | | trans | -62.5 | 94.9 | -174.2 | -101.5 | 57.9 | 0 | 0 | 0 | 111.6 | N1147 N1151 | N1147-N1149 PolarHBondContact ND2-OD1 3.24Å; N1147-N1149 PolarHBondContact O-N 3.49Å; N1149-N1151 PolarHBondContact ND2-OD1 2.77Å; N1149-N1151 PolarHBondContact O-N 3.5Å |
| 1150 | I | 29.3 | Very low | 32.8 | Very low | 148 Ų | 148 | 120.8 Ų | 120.8 | 76% | 0.759 | 63% | 0.627 | S | S | * | * | | | trans | -79.7 | 74.9 | 165 | -55.4 | 177.1 | 0 | 0 | 0 | 107.1 | Y1148 K1152 | Y1148-I1150 PolarHBondContact O-N 3.35Å; I1150-K1152 HydrophobicContact CG2-CB 4.29Å; I1150-K1152 PolarHBondContact O-N 2.83Å |
| 1151 | N | 26.6 | Very low | 32.2 | Very low | 138 Ų | 138 | 120.3 Ų | 120.3 | 74% | 0.738 | 62% | 0.615 | S | S | * | * | | | trans | -72.5 | 72.7 | 170.2 | -79 | 24.7 | 0 | 0 | 0 | 109.2 | N1149 | N1149-N1151 PolarHBondContact ND2-OD1 2.77Å; N1149-N1151 PolarHBondContact O-N 3.5Å |
| 1152 | K | 27.3 | Very low | 31.4 | Very low | 187 Ų | 187 | 121.6 Ų | 121.6 | 81% | 0.813 | 63% | 0.626 | S | S | * | * | | | trans | -95.2 | 111.9 | 168.6 | -160 | 174.1 | -174.5 | -177.1 | 0 | 108.7 | I1150 T1154 | I1150-K1152 HydrophobicContact CG2-CB 4.29Å; I1150-K1152 PolarHBondContact O-N 2.83Å; K1152-T1154 PolarHBondContact O-N 2.87Å |
| 1153 | S | 22.3 | Very low | 30.8 | Very low | 102 Ų | 102 | 119.1 Ų | 119.1 | 71% | 0.713 | 62% | 0.616 | S | S | * | * | | | trans | -57.5 | 126.2 | -172.8 | 170.2 | 0 | 0 | 0 | 0 | 114 | | |
| 1154 | T | 30.9 | Very low | 30 | Very low | 132 Ų | 132 | 123.7 Ų | 123.7 | 81% | 0.81 | 64% | 0.641 | S | S | * | * | | | trans | -146 | 114.5 | 153.6 | 51 | 0 | 0 | 0 | 0 | 109.2 | K1152 | K1152-T1154 PolarHBondContact O-N 2.87Š|
| 1155 | N | 23.5 | Very low | 29.1 | Very low | 146 Ų | 146 | 125.2 Ų | 125.2 | 78% | 0.781 | 65% | 0.654 | S | S | * | * | | | trans | -75.7 | 144.1 | 176.3 | -68.3 | -26.5 | 0 | 0 | 0 | 111.8 | | |
| 1156 | T | 29.9 | Very low | 28.7 | Very low | 144 Ų | 144 | 128.1 Ų | 128.1 | 88% | 0.883 | 67% | 0.674 | S | S | * | * | | | trans | -164.4 | 130.9 | 142.5 | 4.8 | 0 | 0 | 0 | 0 | 111.6 | | |
| 1157 | T | 25.6 | Very low | 28.4 | Very low | 96 Ų | 96 | 125.4 Ų | 125.4 | 59% | 0.589 | 67% | 0.67 | S | S | * | * | | | trans | -76.8 | 163.5 | -178 | -24.5 | 0 | 0 | 0 | 0 | 110.7 | | |
| 1158 | Y | 28.4 | Very low | 28.3 | Very low | 201 Ų | 201 | 127.1 Ų | 127.1 | 79% | 0.788 | 67% | 0.674 | S | S | * | * | | | | -169.4 | 138.5 | 59.4 | -80.8 | -87.5 | 0 | 0 | 0 | 114.7 | | |
| 1159 | H | 28.8 | Very low | 28.4 | Very low | 143 Ų | 143 | 121 Ų | 121 | 66% | 0.662 | 66% | 0.655 | S | S | * | * | | | trans | 44 | 161.8 | 132 | -73.9 | -94.7 | 0 | 0 | 0 | 125.4 | | |
| 1160 | T | 28.8 | Very low | 28.4 | Very low | 74 Ų | 74 | 119.9 Ų | 119.9 | 45% | 0.454 | 65% | 0.652 | S | S | . | * | | | cis | -177.1 | 170.5 | -43.8 | 32.3 | 0 | 0 | 0 | 0 | 110.4 | | |
| 1161 | T | 28.2 | Very low | 28.4 | Very low | 80 Ų | 80 | 116.8 Ų | 116.8 | 49% | 0.491 | 64% | 0.64 | S | S | . | * | | | trans | 65 | 140 | 154.1 | 43 | 0 | 0 | 0 | 0 | 118.8 | N1442 H1443 Y1444 | T1161-N1442 WeakPolarHBondContact CA-O 3.48Å; T1161-N1442 PolarHBondContact N-O 3.48Å; T1161-H1443 VanDerWaalsContact C-CB 3.48Å; T1161-Y1444 CarbonylContact O-C 3.55Å |
| 1162 | T | 29.7 | Very low | 28.5 | Very low | 86 Ų | 86 | 116.2 Ų | 116.2 | 53% | 0.528 | 64% | 0.637 | S | S | . | * | | | cis | -166.4 | 174 | -0.8 | 100.2 | 0 | 0 | 0 | 0 | 109.3 | H1443 | T1162-H1443 VanDerWaalsContact N-CB 3.29Š|
| 1163 | T | 30.2 | Very low | 28.6 | Very low | 91 Ų | 91 | 112.2 Ų | 112.2 | 56% | 0.558 | 63% | 0.628 | S | S | * | * | | | cis | -150.4 | 144.8 | -20.9 | -17.5 | 0 | 0 | 0 | 0 | 112.5 | | |
| 1164 | N | 29.9 | Very low | 28.9 | Very low | 108 Ų | 108 | 112.9 Ų | 112.9 | 58% | 0.578 | 63% | 0.628 | S | S | * | * | | | trans | 36.8 | 156.6 | 138.8 | -63.6 | -4.1 | 0 | 0 | 0 | 130.3 | | |
| 1165 | N | 28.7 | Very low | 28.8 | Very low | 144 Ų | 144 | 112.8 Ų | 112.8 | 77% | 0.77 | 62% | 0.622 | S | S | * | * | | | trans | 80.9 | 152.9 | 143.3 | -71.3 | -0.6 | 0 | 0 | 0 | 122.7 | | |
| 1166 | T | 30 | Very low | 29 | Very low | 111 Ų | 111 | 111.2 Ų | 111.2 | 68% | 0.681 | 62% | 0.618 | S | S | * | * | | | cis | -163.5 | 159.6 | -16.6 | -93.9 | 0 | 0 | 0 | 0 | 114.1 | | |
| 1167 | T | 28.7 | Very low | 28.9 | Very low | 98 Ų | 98 | 108.8 Ų | 108.8 | 60% | 0.601 | 60% | 0.603 | S | S | * | * | | | trans | -35.6 | 158.2 | -175.9 | 55.6 | 0 | 0 | 0 | 0 | 124.6 | | |
| 1168 | H | 29.9 | Very low | 28.9 | Very low | 151 Ų | 151 | 110.1 Ų | 110.1 | 70% | 0.699 | 61% | 0.607 | S | S | * | * | | | | 149.9 | 158.1 | 127.8 | -78.1 | -42.3 | 0 | 0 | 0 | 114.2 | | |
| 1169 | N | 29.8 | Very low | 28.9 | Very low | 71 Ų | 71 | 107.5 Ų | 107.5 | 38% | 0.38 | 61% | 0.607 | S | S | . | * | | | cis | -161.3 | 155 | -30.3 | -118 | 40.7 | 0 | 0 | 0 | 112.5 | L1082 T1083 | L1082-N1169 CarbonylContact O-C 3.52Å; L1082-N1169 WeakPolarHBondContact O-CA 3.49Å; L1082-N1169 VanDerWaalsContact O-CG 3.29Å; L1082-N1169 PolarHBondContact O-OD1 3.33Å; T1083-N1169 CarbonylContact O-C 3.39Å; T1083-N1169 WeakPolarHBondContact O-CA 3.25Å |
| 1170 | T | 29.7 | Very low | 28.7 | Very low | 67 Ų | 67 | 106.3 Ų | 106.3 | 41% | 0.411 | 61% | 0.614 | S | S | . | * | | | trans | 75.2 | 116 | 151.2 | 37.9 | 0 | 0 | 0 | 0 | 125 | L1082 T1083 | L1082-T1170 HydrophobicContact CB-CG2 3.88Å; L1082-T1170 WeakPolarHBondContact O-CA 3.33Å; L1082-T1170 PolarHBondContact O-N 3.25Å; T1083-T1170 PolarHBondContact O-N 2.93Å; T1083-T1170 VanDerWaalsContact OG1-C 3.27Å; T1083-T1170 VanDerWaalsContact OG1-CA 3.25Å; T1083-T1170 WeakPolarHBondContact OG1-CA 3.45Å; T1083-T1170 PolarHBondContact OG1-N 3.08Å |
| 1171 | T | 29.6 | Very low | 28.7 | Very low | 83 Ų | 83 | 107.7 Ų | 107.7 | 51% | 0.509 | 63% | 0.627 | S | S | . | * | | | trans | 74.6 | 154.4 | 138.2 | 56 | 0 | 0 | 0 | 0 | 120.3 | L1082 T1083 | L1082-T1171 HydrophobicContact CD1-CG2 4.04Å; L1082-T1171 HydrophobicContact CD2-CG2 4.08Å; L1082-T1171 HydrophobicContact CG-CG2 4.48Å; T1083-T1171 PolarHBondContact OG1-N 2.8Å |
| 1172 | N | 28.9 | Very low | 28.6 | Very low | 125 Ų | 125 | 111.9 Ų | 111.9 | 67% | 0.668 | 64% | 0.641 | S | S | * | * | | | cis | -155.5 | 168.1 | 3 | -129.2 | -13.2 | 0 | 0 | 0 | 115.5 | | |
| 1173 | T | 28.8 | Very low | 28.5 | Very low | 103 Ų | 103 | 113.6 Ų | 113.6 | 63% | 0.632 | 65% | 0.645 | S | S | * | * | | | trans | 53.4 | 114.6 | 151 | 52.6 | 0 | 0 | 0 | 0 | 124.2 | | |
| 1174 | T | 29.2 | Very low | 28.3 | Very low | 116 Ų | 116 | 114.8 Ų | 114.8 | 71% | 0.712 | 64% | 0.644 | S | S | * | * | | | | 63 | 158.8 | 125.2 | 78.4 | 0 | 0 | 0 | 0 | 121.1 | | |
| 1175 | D | 28.6 | Very low | 28.1 | Very low | 130 Ų | 130 | 118.9 Ų | 118.9 | 70% | 0.695 | 65% | 0.653 | S | S | * | * | | | cis | -147 | 160.6 | 19.7 | -103.1 | -58.7 | 0 | 0 | 0 | 116.5 | | |
| 1176 | T | 26.9 | Very low | 28 | Very low | 113 Ų | 113 | 115.3 Ų | 115.3 | 69% | 0.693 | 64% | 0.639 | S | S | * | * | | | trans | 30.5 | 108.5 | 155.3 | 62.3 | 0 | 0 | 0 | 0 | 124.4 | | |
| 1177 | T | 28.9 | Very low | 27.9 | Very low | 93 Ų | 93 | 114.9 Ų | 114.9 | 57% | 0.571 | 63% | 0.633 | S | S | * | * | | | | 22.2 | 129.2 | 121.7 | 59.4 | 0 | 0 | 0 | 0 | 122.4 | | |
| 1178 | N | 25.9 | Very low | 28 | Very low | 124 Ų | 124 | 113.4 Ų | 113.4 | 66% | 0.663 | 62% | 0.621 | S | S | * | * | | | | 163.8 | 166.6 | 106.3 | -91.2 | -45.9 | 0 | 0 | 0 | 115.9 | | |
| 1179 | N | 27.4 | Very low | 28 | Very low | 147 Ų | 147 | 111.4 Ų | 111.4 | 79% | 0.786 | 61% | 0.61 | S | S | * | * | | | trans | 73.4 | 115.9 | 171.7 | -52.9 | -48.4 | 0 | 0 | 0 | 116.1 | | |
| 1180 | S | 24.9 | Very low | 28 | Very low | 117 Ų | 117 | 113.1 Ų | 113.1 | 82% | 0.818 | 63% | 0.627 | S | S | * | * | | | | 72.3 | 93.4 | 53.3 | -166 | 0 | 0 | 0 | 0 | 113.4 | | |
| 1181 | S | 28.9 | Very low | 28.1 | Very low | 103 Ų | 103 | 111.4 Ų | 111.4 | 72% | 0.72 | 62% | 0.623 | S | S | * | * | | | trans | -146.5 | 75.9 | 177.3 | 50.4 | 0 | 0 | 0 | 0 | 112.5 | I1183 | S1181-I1183 WeakPolarHBondContact O-CG1 3.44Å; S1181-I1183 PolarHBondContact O-N 3.46Å |
| 1182 | H | 26.2 | Very low | 28.3 | Very low | 169 Ų | 169 | 109.5 Ų | 109.5 | 78% | 0.782 | 62% | 0.62 | S | S | * | * | | | trans | 2.5 | 78.9 | 148.3 | -161.9 | -48.7 | 0 | 0 | 0 | 116.5 | H1184 | H1182-H1184 PolarHBondContact O-N 3.29Š|
| 1183 | I | 28.4 | Very low | 28.9 | Very low | 122 Ų | 122 | 106.3 Ų | 106.3 | 63% | 0.626 | 60% | 0.603 | S | S | * | * | | | trans | -68 | 109 | -176.6 | -59.7 | -178.9 | 0 | 0 | 0 | 110.2 | S1181 Y1185 I1188 | S1181-I1183 WeakPolarHBondContact O-CG1 3.44Å; S1181-I1183 PolarHBondContact O-N 3.46Å; I1183-Y1185 PolarHBondContact O-N 2.95Å; I1183-Y1185 VanDerWaalsContact O-N 3.14Å; I1183-I1188 HydrophobicContact CG2-CD1 4.19Å; I1183-I1188 HydrophobicContact CG2-CG1 4.5Å |
| 1184 | H | 24.9 | Very low | 29.4 | Very low | 116 Ų | 116 | 105 Ų | 105 | 54% | 0.537 | 59% | 0.59 | S | S | . | * | | | trans | -70.9 | 104.2 | 174.1 | -125.3 | -103 | 0 | 0 | 0 | 109.2 | H1182 S1186 D1187 | H1182-H1184 PolarHBondContact O-N 3.29Å; H1184-S1186 PolarHBondContact ND1-OG 3.47Å; H1184-S1186 PolarHBondContact O-N 2.89Å; H1184-D1187 PolarHBondContact O-N 3.11Å |
| 1185 | Y | 25.3 | Very low | 29.9 | Very low | 193 Ų | 193 | 106.9 Ų | 106.9 | 76% | 0.757 | 59% | 0.585 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -59.9 | -11.8 | -177.1 | -87.9 | -93.4 | 0 | 0 | 0 | 114.7 | I1183 I1188 | I1183-Y1185 PolarHBondContact O-N 2.95Å; I1183-Y1185 VanDerWaalsContact O-N 3.14Å; Y1185-I1188 HydrophobicContact CD1-CD1 4.04Å; Y1185-I1188 HydrophobicContact CE1-CD1 4.49Å |
| 1186 | S | 27 | Very low | 30.3 | Very low | 69 Ų | 69 | 107.8 Ų | 107.8 | 48% | 0.483 | 58% | 0.579 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -65.6 | -37.1 | 169 | 46.3 | 0 | 0 | 0 | 0 | 113.2 | H1184 I1188 | H1184-S1186 PolarHBondContact ND1-OG 3.47Å; H1184-S1186 PolarHBondContact O-N 2.89Å; S1186-I1188 PolarHBondContact O-N 2.84Å |
| 1187 | D | 27.9 | Very low | 31.4 | Very low | 102 Ų | 102 | 103 Ų | 103 | 55% | 0.545 | 55% | 0.549 | S | S | . | . | G | 310 helix | trans | -91.5 | -7.4 | -159.4 | -61.2 | 8.1 | 0 | 0 | 0 | 112.3 | H1184 F1189 S1190 | H1184-D1187 PolarHBondContact O-N 3.11Å; D1187-F1189 PolarHBondContact O-N 3.43Å; D1187-S1190 PolarHBondContact O-OG 3.05Å; D1187-S1190 VanDerWaalsContact O-OG 3.13Å |
| 1188 | I | 31.1 | Very low | 32.3 | Very low | 68 Ų | 68 | 104.1 Ų | 104.1 | 35% | 0.349 | 54% | 0.542 | S | S | . | . | G | 310 helix | trans | -65.4 | -20.5 | 172.6 | -59.7 | 172.3 | 0 | 0 | 0 | 111.2 | I1183 Y1185 S1186 | I1183-I1188 HydrophobicContact CG2-CD1 4.19Å; I1183-I1188 HydrophobicContact CG2-CG1 4.5Å; Y1185-I1188 HydrophobicContact CD1-CD1 4.04Å; Y1185-I1188 HydrophobicContact CE1-CD1 4.49Å; S1186-I1188 PolarHBondContact O-N 2.84Å |
| 1189 | F | 29 | Very low | 33.3 | Very low | 109 Ų | 109 | 102.6 Ų | 102.6 | 48% | 0.478 | 53% | 0.531 | S | S | . | . | G | 310 helix | trans | -106.7 | -5.5 | -170.2 | -69.3 | -85.2 | 0 | 0 | 0 | 115.4 | D1187 | D1187-F1189 PolarHBondContact O-N 3.43Š|
| 1190 | S | 30.4 | Very low | 34.1 | Very low | 106 Ų | 106 | 97 Ų | 97 | 74% | 0.741 | 51% | 0.506 | S | S | * | . | S | Bend | trans | -82.2 | -17 | -179.8 | 52.3 | 0 | 0 | 0 | 0 | 114 | D1187 | D1187-S1190 PolarHBondContact O-OG 3.05Å; D1187-S1190 VanDerWaalsContact O-OG 3.13Å |
| 1191 | G | 31.6 | Very low | 35.2 | Very low | 31 Ų | 31 | 92.4 Ų | 92.4 | 32% | 0.32 | 47% | 0.472 | S | S | . | . | S | Bend | trans | -110.1 | 104.7 | 164.2 | 0 | 0 | 0 | 0 | 0 | 109.8 | | |
| 1192 | G | 34.6 | Very low | 36.1 | Very low | 44 Ų | 44 | 93.6 Ų | 93.6 | 45% | 0.454 | 47% | 0.466 | S | S | . | . | | | trans | -56.6 | 150.4 | -166.3 | 0 | 0 | 0 | 0 | 0 | 115 | E1194 Y1195 R1196 | G1192-E1194 PolarHBondContact O-N 3.11Å; G1192-E1194 VanDerWaalsContact O-N 3.08Å; G1192-Y1195 WeakPolarHBondContact O-CA 3.23Å; G1192-Y1195 VanDerWaalsContact O-CB 3.29Å; G1192-Y1195 WeakPolarHBondContact O-CB 3.38Å; G1192-Y1195 PolarHBondContact O-N 3.05Å; G1192-R1196 PolarHBondContact O-N 3.45Å |
| 1193 | L | 42.3 | Very low | 36.9 | Very low | 57 Ų | 57 | 92.5 Ų | 92.5 | 30% | 0.298 | 47% | 0.465 | S | S | . | . | H | α-helix | trans | -52.1 | -35.8 | -176.5 | -169.7 | 70.3 | 0 | 0 | 0 | 113.4 | M1141 Y1195 R1196 L1197 L1316 | M1141-L1193 HydrophobicContact CE-CD1 3.78Å; M1141-L1193 HydrophobicContact CE-CD2 4.41Å; M1141-L1193 HydrophobicContact SD-CD1 4.19Å; L1193-Y1195 VanDerWaalsContact C-N 3.34Å; L1193-Y1195 PolarHBondContact O-N 2.88Å; L1193-R1196 PolarHBondContact O-N 3.28Å; L1193-L1197 HydrophobicContact CG-CD1 4.22Å; L1193-L1197 WeakPolarHBondContact O-CB 3.28Å; L1193-L1197 PolarHBondContact O-N 3.49Å; L1193-L1316 HydrophobicContact CD2-CB 4.33Å; L1193-L1316 HydrophobicContact CD2-CD2 4.13Å; L1193-L1316 HydrophobicContact CD2-CG 4.16Å |
| 1194 | E | 38.8 | Very low | 37.5 | Very low | 77 Ų | 77 | 90.3 Ų | 90.3 | 36% | 0.36 | 45% | 0.454 | S | S | . | . | H | α-helix | trans | -63.5 | -34.9 | 174.6 | -176.3 | 175.6 | 164.6 | 0 | 0 | 112.8 | G1192 R1198 | G1192-E1194 PolarHBondContact O-N 3.11Å; G1192-E1194 VanDerWaalsContact O-N 3.08Å; E1194-R1198 HydrophobicContact CG-CG 4.49Å; E1194-R1198 WeakPolarHBondContact O-CB 3.3Å; E1194-R1198 WeakPolarHBondContact O-CD 3.34Å; E1194-R1198 WeakPolarHBondContact O-CG 3.19Å; E1194-R1198 PolarHBondContact O-N 2.8Å; E1194-R1198 IonicContact OE1-CZ 3.4Å; E1194-R1198 VanDerWaalsContact OE1-CZ 3.24Å; E1194-R1198 IonicContact OE1-NE 3.45Å; E1194-R1198 PolarHBondContact OE1-NE 3.19Å; E1194-R1198 IonicContact OE1-NH2 2.71Å; E1194-R1198 PolarHBondContact OE1-NH2 2.89Å |
| 1195 | Y | 39.2 | Very low | 38 | Very low | 154 Ų | 154 | 89.9 Ų | 89.9 | 60% | 0.604 | 45% | 0.452 | S | S | * | . | H | α-helix | trans | -67.5 | -48.8 | 176.8 | -169.7 | -85.6 | 0 | 0 | 0 | 110.9 | G1192 L1193 L1197 R1198 E1199 | G1192-Y1195 WeakPolarHBondContact O-CA 3.23Å; G1192-Y1195 VanDerWaalsContact O-CB 3.29Å; G1192-Y1195 WeakPolarHBondContact O-CB 3.38Å; G1192-Y1195 PolarHBondContact O-N 3.05Å; L1193-Y1195 VanDerWaalsContact C-N 3.34Å; L1193-Y1195 PolarHBondContact O-N 2.88Å; Y1195-L1197 PolarHBondContact O-N 3.49Å; Y1195-R1198 WeakPolarHBondContact O-CB 3.41Å; Y1195-R1198 PolarHBondContact O-N 3.25Å; Y1195-E1199 WeakPolarHBondContact O-CB 3.47Å; Y1195-E1199 PolarHBondContact O-N 2.99Å |
| 1196 | R | 37.3 | Very low | 38.2 | Very low | 150 Ų | 150 | 85.3 Ų | 85.3 | 57% | 0.566 | 45% | 0.446 | S | S | * | . | H | α-helix | trans | -66.2 | -36.5 | 178.5 | -76.1 | 179.5 | 169.8 | -110.1 | -0.4 | 112.9 | G1192 L1193 E1199 A1200 | G1192-R1196 PolarHBondContact O-N 3.45Å; L1193-R1196 PolarHBondContact O-N 3.28Å; R1196-E1199 PolarHBondContact O-N 2.86Å; R1196-A1200 WeakPolarHBondContact O-CB 3.23Å; R1196-A1200 PolarHBondContact O-N 3.49Å |
| 1197 | L | 49.9 | Very low | 38.4 | Very low | 13 Ų | 13 | 91.7 Ų | 91.7 | 7% | 0.068 | 47% | 0.465 | C | S | . | . | H | α-helix | trans | -63.7 | -42.4 | 170.6 | -87.1 | 164.5 | 0 | 0 | 0 | 111.9 | I1137 L1193 Y1195 L1201 A1313 | I1137-L1197 HydrophobicContact CD1-CD2 4.32Å; I1137-L1197 HydrophobicContact CG2-CD2 3.95Å; L1193-L1197 HydrophobicContact CG-CD1 4.22Å; L1193-L1197 WeakPolarHBondContact O-CB 3.28Å; L1193-L1197 PolarHBondContact O-N 3.49Å; Y1195-L1197 PolarHBondContact O-N 3.49Å; L1197-L1201 WeakPolarHBondContact O-CB 3.31Å; L1197-L1201 WeakPolarHBondContact O-CD1 3.34Å; L1197-L1201 VanDerWaalsContact O-CG 3.27Å; L1197-L1201 WeakPolarHBondContact O-CG 3.37Å; L1197-L1201 PolarHBondContact O-N 3.3Å; L1197-L1201 VanDerWaalsContact O-N 3.11Å; L1197-A1313 HydrophobicContact CD1-CB 3.73Å |
| 1198 | R | 47.1 | Very low | 38.6 | Very low | 115 Ų | 115 | 93.7 Ų | 93.7 | 43% | 0.434 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -63.2 | -44.1 | 174.5 | -76.3 | 165.2 | 177.6 | -97.4 | 12.4 | 111.8 | E1194 Y1195 L1201 Q1202 | E1194-R1198 HydrophobicContact CG-CG 4.49Å; E1194-R1198 WeakPolarHBondContact O-CB 3.3Å; E1194-R1198 WeakPolarHBondContact O-CD 3.34Å; E1194-R1198 WeakPolarHBondContact O-CG 3.19Å; E1194-R1198 PolarHBondContact O-N 2.8Å; E1194-R1198 IonicContact OE1-CZ 3.4Å; E1194-R1198 VanDerWaalsContact OE1-CZ 3.24Å; E1194-R1198 IonicContact OE1-NE 3.45Å; E1194-R1198 PolarHBondContact OE1-NE 3.19Å; E1194-R1198 IonicContact OE1-NH2 2.71Å; E1194-R1198 PolarHBondContact OE1-NH2 2.89Å; Y1195-R1198 WeakPolarHBondContact O-CB 3.41Å; Y1195-R1198 PolarHBondContact O-N 3.25Å; R1198-L1201 CarbonylContact O-C 3.58Å; R1198-L1201 PolarHBondContact O-N 3.11Å; R1198-Q1202 WeakPolarHBondContact O-CB 3.46Å; R1198-Q1202 PolarHBondContact O-N 3.11Å |
| 1199 | E | 46.6 | Very low | 38.5 | Very low | 92 Ų | 92 | 99.7 Ų | 99.7 | 43% | 0.43 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -63.9 | -47.7 | -179.5 | -174.2 | 170.3 | -135.9 | 0 | 0 | 111.9 | Y1195 R1196 L1201 Q1202 L1203 | Y1195-E1199 WeakPolarHBondContact O-CB 3.47Å; Y1195-E1199 PolarHBondContact O-N 2.99Å; R1196-E1199 PolarHBondContact O-N 2.86Å; E1199-L1201 VanDerWaalsContact C-N 3.29Å; E1199-L1201 PolarHBondContact O-N 3.25Å; E1199-Q1202 WeakPolarHBondContact O-CA 3.47Å; E1199-Q1202 VanDerWaalsContact O-CB 3.25Å; E1199-Q1202 WeakPolarHBondContact O-CB 3.33Å; E1199-Q1202 PolarHBondContact O-N 3.35Å; E1199-L1203 WeakPolarHBondContact O-CG 3.43Å; E1199-L1203 PolarHBondContact O-N 2.95Å |
| 1200 | A | 44.9 | Very low | 38.5 | Very low | 30 Ų | 30 | 103.3 Ų | 103.3 | 25% | 0.248 | 52% | 0.52 | C | S | . | . | H | α-helix | trans | -56.8 | -42.6 | 171.9 | 0 | 0 | 0 | 0 | 0 | 111.8 | I1137 R1196 Q1202 L1203 I1204 | I1137-A1200 HydrophobicContact CD1-CB 4.08Å; R1196-A1200 WeakPolarHBondContact O-CB 3.23Å; R1196-A1200 PolarHBondContact O-N 3.49Å; A1200-Q1202 VanDerWaalsContact C-N 3.28Å; A1200-Q1202 PolarHBondContact O-N 2.93Å; A1200-L1203 PolarHBondContact O-N 2.97Å; A1200-I1204 WeakPolarHBondContact O-CD1 3.49Å; A1200-I1204 VanDerWaalsContact O-CG1 3.28Å; A1200-I1204 WeakPolarHBondContact O-CG1 3.47Å; A1200-I1204 PolarHBondContact O-N 3.18Å; A1200-I1204 VanDerWaalsContact O-N 3.1Å |
| 1201 | L | 47.3 | Very low | 38.4 | Very low | 20 Ų | 20 | 106.5 Ų | 106.5 | 11% | 0.105 | 53% | 0.525 | C | S | . | . | H | α-helix | trans | -78.8 | -8.1 | 177 | -66.5 | 167.3 | 0 | 0 | 0 | 114.2 | I1134 L1197 R1198 E1199 I1204 Q1205 L1309 | I1134-L1201 HydrophobicContact CD1-CD1 4.47Å; I1134-L1201 HydrophobicContact CD1-CD2 4.01Å; L1197-L1201 WeakPolarHBondContact O-CB 3.31Å; L1197-L1201 WeakPolarHBondContact O-CD1 3.34Å; L1197-L1201 VanDerWaalsContact O-CG 3.27Å; L1197-L1201 WeakPolarHBondContact O-CG 3.37Å; L1197-L1201 PolarHBondContact O-N 3.3Å; L1197-L1201 VanDerWaalsContact O-N 3.11Å; R1198-L1201 CarbonylContact O-C 3.58Å; R1198-L1201 PolarHBondContact O-N 3.11Å; E1199-L1201 VanDerWaalsContact C-N 3.29Å; E1199-L1201 PolarHBondContact O-N 3.25Å; L1201-I1204 HydrophobicContact CD2-CD1 4.49Å; L1201-Q1205 PolarHBondContact O-N 3.45Å; L1201-Q1205 PolarHBondContact O-NE2 2.82Å; L1201-L1309 HydrophobicContact CD1-CD1 3.44Å; L1201-L1309 VanDerWaalsContact CD1-CD1 3.44Å; L1201-L1309 HydrophobicContact CD1-CD2 3.54Å; L1201-L1309 HydrophobicContact CD1-CG 4.08Å |
| 1202 | Q | 48.8 | Very low | 38.4 | Very low | 129 Ų | 129 | 112.8 Ų | 112.8 | 60% | 0.603 | 55% | 0.551 | S | S | * | * | H | α-helix | trans | -83 | -32.7 | 168.1 | -140.6 | 101.2 | 58.7 | 0 | 0 | 110.2 | R1198 E1199 A1200 | R1198-Q1202 WeakPolarHBondContact O-CB 3.46Å; R1198-Q1202 PolarHBondContact O-N 3.11Å; E1199-Q1202 WeakPolarHBondContact O-CA 3.47Å; E1199-Q1202 VanDerWaalsContact O-CB 3.25Å; E1199-Q1202 WeakPolarHBondContact O-CB 3.33Å; E1199-Q1202 PolarHBondContact O-N 3.35Å; A1200-Q1202 VanDerWaalsContact C-N 3.28Å; A1200-Q1202 PolarHBondContact O-N 2.93Å |
| 1203 | L | 42.2 | Very low | 38.1 | Very low | 146 Ų | 146 | 117.3 Ų | 117.3 | 76% | 0.764 | 57% | 0.565 | S | S | * | * | H | α-helix | trans | -76.5 | -25.8 | 174 | -66.4 | 165.8 | 0 | 0 | 0 | 113 | E1199 A1200 | E1199-L1203 WeakPolarHBondContact O-CG 3.43Å; E1199-L1203 PolarHBondContact O-N 2.95Å; A1200-L1203 PolarHBondContact O-N 2.97Å |
| 1204 | I | 41.1 | Very low | 37.6 | Very low | 76 Ų | 76 | 122.2 Ų | 122.2 | 39% | 0.39 | 59% | 0.591 | S | S | . | * | S | Bend | trans | -91.5 | -8.2 | 178.8 | -64.5 | 161.9 | 0 | 0 | 0 | 112.3 | A1200 L1201 | A1200-I1204 WeakPolarHBondContact O-CD1 3.49Å; A1200-I1204 VanDerWaalsContact O-CG1 3.28Å; A1200-I1204 WeakPolarHBondContact O-CG1 3.47Å; A1200-I1204 PolarHBondContact O-N 3.18Å; A1200-I1204 VanDerWaalsContact O-N 3.1Å; L1201-I1204 HydrophobicContact CD2-CD1 4.49Å |
| 1205 | Q | 36 | Very low | 37.1 | Very low | 107 Ų | 107 | 125.6 Ų | 125.6 | 50% | 0.5 | 61% | 0.612 | S | S | . | * | S | Bend | trans | -72.9 | 132.5 | 165.4 | -86.6 | 165.4 | 79.9 | 0 | 0 | 109.6 | L1201 | L1201-Q1205 PolarHBondContact O-N 3.45Å; L1201-Q1205 PolarHBondContact O-NE2 2.82Å |
| 1206 | P | 28.7 | Very low | 36.9 | Very low | 97 Ų | 97 | 127.8 Ų | 127.8 | 63% | 0.63 | 63% | 0.627 | S | S | * | * | | | trans | -61.1 | 142.6 | 172.6 | 28.7 | -35.3 | 0 | 0 | 0 | 109.4 | N1208 | P1206-N1208 WeakPolarHBondContact CB-OD1 3.31Å; P1206-N1208 PolarHBondContact O-N 2.71Å |
| 1207 | K | 31.1 | Very low | 36.5 | Very low | 202 Ų | 202 | 128.3 Ų | 128.3 | 88% | 0.878 | 64% | 0.641 | S | S | * | * | | | trans | -75.1 | 61.4 | -179.8 | -73.7 | -178 | 177 | 174.1 | 0 | 111.5 | K1209 | K1207-K1209 PolarHBondContact O-N 2.89Š|
| 1208 | N | 31.9 | Very low | 35.6 | Very low | 144 Ų | 144 | 136.7 Ų | 136.7 | 77% | 0.77 | 68% | 0.68 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -71.7 | 70.1 | 173.3 | -67.6 | 21.2 | 0 | 0 | 0 | 109.5 | P1206 | P1206-N1208 WeakPolarHBondContact CB-OD1 3.31Å; P1206-N1208 PolarHBondContact O-N 2.71Å |
| 1209 | K | 30.1 | Very low | 34.9 | Very low | 194 Ų | 194 | 138.2 Ų | 138.2 | 84% | 0.843 | 70% | 0.696 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -152.4 | 9.5 | -178.9 | -139.6 | -176.6 | -179.6 | -175.4 | 0 | 115.3 | K1207 | K1207-K1209 PolarHBondContact O-N 2.89Š|
| 1210 | M | 28.8 | Very low | 34.1 | Very low | 185 Ų | 185 | 138.8 Ų | 138.8 | 91% | 0.911 | 71% | 0.708 | S | S | * | * | S | Bend | trans | -146.3 | 46.4 | 171.2 | -68.8 | -165.3 | 71.5 | 0 | 0 | 111 | | |
| 1211 | M | 28.5 | Very low | 33.4 | Very low | 173 Ų | 173 | 144.9 Ų | 144.9 | 85% | 0.852 | 74% | 0.736 | S | S | * | * | | | trans | -155.9 | 74 | 169 | -159.1 | 129.9 | 85 | 0 | 0 | 109.6 | | |
| 1212 | N | 30.5 | Very low | 32.7 | Very low | 163 Ų | 163 | 149.6 Ų | 149.6 | 87% | 0.872 | 77% | 0.771 | S | S | * | * | S | Bend | trans | -147.2 | 9.1 | 176.3 | -126.5 | 52.6 | 0 | 0 | 0 | 111.8 | | |
| 1213 | D | 30 | Very low | 31.7 | Very low | 139 Ų | 139 | 152.2 Ų | 152.2 | 74% | 0.743 | 78% | 0.783 | S | S | * | * | S | Bend | trans | -127.6 | 138.2 | 177.6 | -59 | -71.4 | 0 | 0 | 0 | 106.1 | | |
| 1214 | L | 30.3 | Very low | 31.2 | Very low | 160 Ų | 160 | 152.8 Ų | 152.8 | 84% | 0.838 | 79% | 0.786 | S | S | * | * | S | Bend | trans | 62.4 | 85.6 | -173 | -66.7 | 75.1 | 0 | 0 | 0 | 114.9 | | |
| 1215 | D | 29.7 | Very low | 30.9 | Very low | 149 Ų | 149 | 155 Ų | 155 | 80% | 0.797 | 80% | 0.799 | S | S | * | * | | | | 168.3 | 88.5 | 113.2 | -88.4 | -10.6 | 0 | 0 | 0 | 111 | | |
| 1216 | H | 33.3 | Very low | 30.7 | Very low | 199 Ų | 199 | 159.7 Ų | 159.7 | 92% | 0.921 | 82% | 0.817 | S | S | * | * | | | trans | -141.9 | 63.7 | 170.6 | -105.7 | 52.4 | 0 | 0 | 0 | 110.4 | H1218 | H1216-H1218 PolarHBondContact O-N 2.86Š|
| 1217 | N | 29.4 | Very low | 31 | Very low | 162 Ų | 162 | 158.1 Ų | 158.1 | 87% | 0.866 | 81% | 0.809 | S | S | * | * | | | trans | -91.5 | 85.6 | 170.4 | -115 | -15.7 | 0 | 0 | 0 | 109.7 | | |
| 1218 | H | 31.9 | Very low | 31.1 | Very low | 189 Ų | 189 | 158.3 Ų | 158.3 | 88% | 0.875 | 81% | 0.806 | S | S | * | * | | | trans | -173.2 | 147.6 | 135.9 | -101 | -37.6 | 0 | 0 | 0 | 115.2 | H1216 | H1216-H1218 PolarHBondContact O-N 2.86Š|
| 1219 | N | 31.7 | Very low | 31.2 | Very low | 147 Ų | 147 | 158.6 Ų | 158.6 | 79% | 0.786 | 81% | 0.806 | S | S | * | * | | | trans | 59.6 | 94.5 | 159 | -116.5 | 13.8 | 0 | 0 | 0 | 119.4 | | |
| 1220 | P | 29.6 | Very low | 31.4 | Very low | 104 Ų | 104 | 156.4 Ų | 156.4 | 68% | 0.675 | 80% | 0.804 | S | S | * | * | | | trans | -72.6 | 170 | 153.2 | 34.4 | -34.5 | 0 | 0 | 0 | 111.4 | | |
| 1221 | N | 29.6 | Very low | 31.8 | Very low | 158 Ų | 158 | 156.6 Ų | 156.6 | 85% | 0.845 | 80% | 0.8 | S | S | * | * | | | trans | 104.3 | 57.9 | 171.1 | -54.5 | -15.8 | 0 | 0 | 0 | 117.9 | | |
| 1222 | S | 33.1 | Very low | 32.1 | Very low | 118 Ų | 118 | 156.1 Ų | 156.1 | 83% | 0.825 | 80% | 0.799 | S | S | * | * | | | trans | -148.6 | 95.3 | 143.2 | 64.5 | 0 | 0 | 0 | 0 | 110.1 | | |
| 1223 | E | 29.1 | Very low | 32.2 | Very low | 185 Ų | 185 | 155.7 Ų | 155.7 | 86% | 0.864 | 80% | 0.795 | S | S | * | * | | | trans | -72 | 138.9 | 173.6 | -58.9 | -177.7 | 103.8 | 0 | 0 | 110.7 | | |
| 1224 | L | 31 | Very low | 32.2 | Very low | 157 Ų | 157 | 154.9 Ų | 154.9 | 82% | 0.822 | 79% | 0.791 | S | S | * | * | | | trans | -173.7 | 149.2 | 134.3 | -102.6 | 158.6 | 0 | 0 | 0 | 112.8 | | |
| 1225 | N | 34.4 | Very low | 32.3 | Very low | 123 Ų | 123 | 154.5 Ų | 154.5 | 66% | 0.658 | 80% | 0.795 | S | S | * | * | | | trans | 55.5 | 66 | 163.8 | -71.4 | -30.4 | 0 | 0 | 0 | 119.3 | S1227 | N1225-S1227 PolarHBondContact O-N 2.85Š|
| 1226 | K | 32.3 | Very low | 32.2 | Very low | 205 Ų | 205 | 155.8 Ų | 155.8 | 89% | 0.891 | 79% | 0.788 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -64.6 | 27.6 | 156 | -65.1 | 173.6 | 177.3 | 166.1 | 0 | 114 | | |
| 1227 | S | 34.4 | Very low | 32.2 | Very low | 65 Ų | 65 | 151.2 Ų | 151.2 | 46% | 0.455 | 78% | 0.778 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -96.7 | -21.4 | -166.5 | 54.8 | 0 | 0 | 0 | 0 | 115.6 | N1225 | N1225-S1227 PolarHBondContact O-N 2.85Š|
| 1228 | Y | 32.6 | Very low | 32.4 | Very low | 206 Ų | 206 | 154.1 Ų | 154.1 | 81% | 0.808 | 78% | 0.777 | S | S | * | * | S | Bend | trans | -96.7 | -12.8 | -171.5 | -87.7 | -87.9 | 0 | 0 | 0 | 116.2 | | |
| 1229 | L | 35.2 | Very low | 32.4 | Very low | 149 Ų | 149 | 153.6 Ų | 153.6 | 78% | 0.78 | 77% | 0.772 | S | S | * | * | G | 310 helix | trans | -83.3 | -15.1 | -177.5 | -85.4 | 161.7 | 0 | 0 | 0 | 114.9 | K1231 | L1229-K1231 PolarHBondContact O-N 3.34Š|
| 1230 | N | 34.9 | Very low | 32.2 | Very low | 149 Ų | 149 | 153.1 Ų | 153.1 | 80% | 0.797 | 77% | 0.77 | S | S | * | * | G | 310 helix | trans | -90.5 | 18.8 | -176 | -76.4 | -9.9 | 0 | 0 | 0 | 114.8 | | |
| 1231 | K | 36.5 | Very low | 32.3 | Very low | 189 Ų | 189 | 156.4 Ų | 156.4 | 82% | 0.822 | 78% | 0.781 | S | S | * | * | G | 310 helix | trans | -120.4 | 1.9 | -171.4 | -120.5 | 176.9 | -176.7 | 178 | 0 | 117.2 | L1229 | L1229-K1231 PolarHBondContact O-N 3.34Š|
| 1232 | I | 33.7 | Very low | 32.3 | Very low | 163 Ų | 163 | 155.2 Ų | 155.2 | 84% | 0.836 | 78% | 0.775 | S | S | * | * | S | Bend | trans | -125.2 | -3.4 | -178.4 | -58.4 | -177.5 | 0 | 0 | 0 | 112.6 | | |
| 1233 | I | 32.7 | Very low | 32.2 | Very low | 154 Ų | 154 | 158 Ų | 158 | 79% | 0.79 | 78% | 0.775 | S | S | * | * | S | Bend | trans | -124.3 | 47.2 | -174.4 | -41.9 | 174 | 0 | 0 | 0 | 112.7 | | |
| 1234 | D | 30.3 | Very low | 32.2 | Very low | 122 Ų | 122 | 153.9 Ų | 153.9 | 65% | 0.652 | 77% | 0.766 | S | S | * | * | | | trans | -152.7 | 85.4 | 156.4 | -168.9 | 13.7 | 0 | 0 | 0 | 113.7 | | |
| 1235 | V | 32.6 | Very low | 32.4 | Very low | 152 Ų | 152 | 155.5 Ų | 155.5 | 92% | 0.921 | 77% | 0.766 | S | S | * | * | | | trans | -140.9 | 56.4 | 160.4 | -164.8 | 0 | 0 | 0 | 0 | 109.8 | | |
| 1236 | R | 28.9 | Very low | 32.4 | Very low | 176 Ų | 176 | 159.1 Ų | 159.1 | 66% | 0.664 | 78% | 0.777 | S | S | * | * | S | Bend | trans | -148.7 | 42.5 | 176 | -148 | 179.7 | -178.6 | -173.1 | -3.4 | 116.7 | S3 | S3-R1236 PolarHBondContact O-NH2 2.85Š|
| 1237 | S | 31.5 | Very low | 32.4 | Very low | 102 Ų | 102 | 154.8 Ų | 154.8 | 71% | 0.713 | 77% | 0.769 | S | S | * | * | | | trans | -161.6 | 165.1 | 160.1 | -89.6 | 0 | 0 | 0 | 0 | 112.3 | | |
| 1238 | R | 34.4 | Very low | 32.6 | Very low | 224 Ų | 224 | 156.4 Ų | 156.4 | 85% | 0.845 | 78% | 0.778 | S | S | * | * | | | trans | 66.3 | 113.1 | -168.9 | -42.7 | 177.3 | -128.3 | -150.4 | 3.1 | 111.4 | | |
| 1239 | K | 31.4 | Very low | 32.6 | Very low | 177 Ų | 177 | 153 Ų | 153 | 77% | 0.77 | 78% | 0.779 | S | S | * | * | | | cis | 67.5 | 100 | 10.8 | -154.5 | -164.8 | 179.5 | -151.7 | 0 | 115.9 | | |
| 1240 | N | 27.3 | Very low | 32.5 | Very low | 137 Ų | 137 | 151.5 Ų | 151.5 | 73% | 0.733 | 77% | 0.772 | S | S | * | * | | | trans | 44.8 | 110.6 | 152.5 | -53.7 | 31.8 | 0 | 0 | 0 | 119 | | |
| 1241 | L | 33.3 | Very low | 32.4 | Very low | 173 Ų | 173 | 152.9 Ų | 152.9 | 91% | 0.906 | 77% | 0.771 | S | S | * | * | | | | -156.4 | 174.4 | 125.5 | -132 | 69.3 | 0 | 0 | 0 | 110.2 | | |
| 1242 | N | 29.3 | Very low | 32.1 | Very low | 134 Ų | 134 | 147.9 Ų | 147.9 | 72% | 0.717 | 77% | 0.765 | S | S | * | * | | | trans | -102.5 | -176.5 | -162.4 | -60.6 | -19.6 | 0 | 0 | 0 | 114.3 | | |
| 1243 | E | 29.7 | Very low | 32 | Very low | 176 Ų | 176 | 148.2 Ų | 148.2 | 82% | 0.822 | 76% | 0.76 | S | S | * | * | | | trans | 78.6 | 141.9 | 152.1 | -77.7 | 151.1 | -129.1 | 0 | 0 | 118.4 | | |
| 1244 | S | 29.4 | Very low | 31.9 | Very low | 98 Ų | 98 | 148.4 Ų | 148.4 | 69% | 0.685 | 76% | 0.758 | S | S | * | * | | | cis | -159.1 | 180 | -2.7 | 54.4 | 0 | 0 | 0 | 0 | 113 | | |
| 1245 | K | 36 | Very low | 32 | Very low | 191 Ų | 191 | 147.7 Ų | 147.7 | 83% | 0.83 | 76% | 0.762 | S | S | * | * | | | trans | 95.4 | 75.1 | 165.7 | -56.9 | -179 | -177.4 | 179.1 | 0 | 119.2 | | |
| 1246 | K | 34.4 | Very low | 32.1 | Very low | 200 Ų | 200 | 146.4 Ų | 146.4 | 87% | 0.87 | 76% | 0.757 | S | S | * | * | | | | 36.6 | 157.7 | 106.8 | -92.9 | -172 | 174.3 | -179.5 | 0 | 120 | | |
| 1247 | P | 32.4 | Very low | 32.2 | Very low | 113 Ų | 113 | 145.6 Ų | 145.6 | 73% | 0.734 | 76% | 0.759 | S | S | * | * | | | cis | -130.9 | -151.8 | 17.6 | 50.6 | -33.4 | 0 | 0 | 0 | 112.9 | | |
| 1248 | P | 37.9 | Very low | 32.1 | Very low | 99 Ų | 99 | 147.4 Ų | 147.4 | 64% | 0.643 | 76% | 0.756 | S | S | * | * | | | | -135.4 | 177.2 | -123.6 | 36.1 | -11.4 | 0 | 0 | 0 | 117.5 | | |
| 1249 | T | 33.5 | Very low | 31.8 | Very low | 134 Ų | 134 | 144.2 Ų | 144.2 | 82% | 0.822 | 76% | 0.755 | S | S | * | * | | | trans | 153.4 | 155.2 | 136.4 | 41.5 | 0 | 0 | 0 | 0 | 111.7 | | |
| 1250 | N | 31.8 | Very low | 31.7 | Very low | 118 Ų | 118 | 139.1 Ų | 139.1 | 63% | 0.631 | 75% | 0.753 | S | S | * | * | | | cis | -159.6 | 157.2 | -49.2 | -138.5 | 6.5 | 0 | 0 | 0 | 110.4 | | |
| 1251 | F | 33 | Very low | 31.9 | Very low | 179 Ų | 179 | 144.4 Ų | 144.4 | 79% | 0.785 | 76% | 0.763 | S | S | * | * | | | trans | 66.1 | 128.9 | 176.8 | -49.2 | -67.3 | 0 | 0 | 0 | 115.3 | | |
| 1252 | A | 30.6 | Very low | 31.8 | Very low | 84 Ų | 84 | 145.6 Ų | 145.6 | 69% | 0.694 | 76% | 0.764 | S | S | * | * | | | cis | 80.7 | 142.4 | 44.4 | 0 | 0 | 0 | 0 | 0 | 112.5 | | |
| 1253 | K | 31.1 | Very low | 31.9 | Very low | 170 Ų | 170 | 144.8 Ų | 144.8 | 74% | 0.739 | 77% | 0.769 | S | S | * | * | | | cis | -160.2 | 178.5 | 12.9 | -145.2 | 161.9 | 161.9 | -119.6 | 0 | 111.2 | | |
| 1254 | E | 31.5 | Very low | 31.8 | Very low | 157 Ų | 157 | 139.5 Ų | 139.5 | 73% | 0.734 | 76% | 0.762 | S | S | * | * | | | trans | 66.3 | 137.7 | 157.4 | -83.9 | 127.1 | -131.8 | 0 | 0 | 121.8 | | |
| 1255 | S | 31.7 | Very low | 31.9 | Very low | 107 Ų | 107 | 142.7 Ų | 142.7 | 75% | 0.748 | 77% | 0.769 | S | S | * | * | | | trans | -128.1 | 152.1 | 163 | 56.3 | 0 | 0 | 0 | 0 | 107.7 | | |
| 1256 | P | 34.6 | Very low | 31.6 | Very low | 126 Ų | 126 | 139.7 Ų | 139.7 | 82% | 0.818 | 76% | 0.762 | S | S | * | * | | | trans | -135.5 | -173.7 | 139.4 | 37.8 | -25.2 | 0 | 0 | 0 | 114.1 | | |
| 1257 | K | 30.8 | Very low | 31.2 | Very low | 159 Ų | 159 | 136 Ų | 136 | 69% | 0.691 | 76% | 0.759 | S | S | * | * | | | trans | -95 | 177.3 | -158.9 | -53.2 | 141.5 | 84.2 | -123.5 | 0 | 112.9 | | |
| 1258 | E | 29.4 | Very low | 31 | Very low | 139 Ų | 139 | 137.9 Ų | 137.9 | 65% | 0.65 | 76% | 0.763 | S | S | * | * | | | trans | 95.6 | 144.5 | 137.6 | -106.6 | 114.3 | -113.3 | 0 | 0 | 120.5 | | |
| 1259 | D | 28.8 | Very low | 30.6 | Very low | 157 Ų | 157 | 138.8 Ų | 138.8 | 84% | 0.84 | 77% | 0.766 | S | S | * | * | | | trans | 51.7 | 119 | 157.8 | -63.6 | -2.7 | 0 | 0 | 0 | 123 | | |
| 1260 | G | 29.3 | Very low | 30.4 | Very low | 71 Ų | 71 | 140.7 Ų | 140.7 | 73% | 0.732 | 77% | 0.771 | S | S | * | * | | | | 140.4 | 112.8 | 111.7 | 0 | 0 | 0 | 0 | 0 | 118.8 | | |
| 1261 | R | 31.4 | Very low | 30.2 | Very low | 248 Ų | 248 | 142.4 Ų | 142.4 | 94% | 0.936 | 78% | 0.78 | S | S | * | * | | | trans | 60.1 | 86 | 143.8 | -60.7 | 179.5 | -177.8 | 164.9 | 2.5 | 118.6 | | |
| 1262 | E | 30.8 | Very low | 30 | Very low | 198 Ų | 198 | 140.4 Ų | 140.4 | 93% | 0.925 | 77% | 0.773 | S | S | * | * | | | | 1.4 | 123.8 | 128.1 | -176.1 | 170.8 | -132.2 | 0 | 0 | 118.2 | | |
| 1263 | S | 31.4 | Very low | 29.9 | Very low | 116 Ų | 116 | 142.6 Ų | 142.6 | 81% | 0.811 | 78% | 0.778 | S | S | * | * | | | trans | -158.5 | 142.5 | 150.5 | -175 | 0 | 0 | 0 | 0 | 107.7 | | |
| 1264 | G | 28.4 | Very low | 29.7 | Very low | 66 Ų | 66 | 139.2 Ų | 139.2 | 68% | 0.68 | 78% | 0.776 | S | S | * | * | | | cis | 139.9 | 55.7 | 2.8 | 0 | 0 | 0 | 0 | 0 | 111.9 | | |
| 1265 | I | 30.5 | Very low | 29.4 | Very low | 164 Ų | 164 | 138 Ų | 138 | 84% | 0.841 | 78% | 0.779 | S | S | * | * | | | trans | -133.9 | 144.8 | -176 | -56.7 | -176.1 | 0 | 0 | 0 | 110.4 | | |
| 1266 | D | 29.3 | Very low | 29.1 | Very low | 128 Ų | 128 | 137.3 Ų | 137.3 | 68% | 0.684 | 77% | 0.774 | S | S | * | * | | | trans | -67.5 | 155.6 | -168.5 | -91.1 | -56.5 | 0 | 0 | 0 | 116.7 | | |
| 1267 | P | 26.2 | Very low | 28.9 | Very low | 122 Ų | 122 | 137.8 Ų | 137.8 | 79% | 0.792 | 77% | 0.768 | S | S | * | * | S | Bend | trans | -94.2 | 26.9 | 172.1 | 40.3 | -35.9 | 0 | 0 | 0 | 114 | | |
| 1268 | D | 29.4 | Very low | 28.9 | Very low | 154 Ų | 154 | 137.4 Ų | 137.4 | 82% | 0.824 | 77% | 0.771 | S | S | * | * | | | trans | -103.8 | 5.5 | -177.1 | -102.4 | -7.7 | 0 | 0 | 0 | 114.3 | | |
| 1269 | T | 29.2 | Very low | 28.8 | Very low | 117 Ų | 117 | 133.6 Ų | 133.6 | 72% | 0.718 | 77% | 0.77 | S | S | * | * | | | trans | -125.1 | 105 | 174.8 | 37.4 | 0 | 0 | 0 | 0 | 112.4 | | |
| 1270 | L | 29.7 | Very low | 28.8 | Very low | 174 Ų | 174 | 134.3 Ų | 134.3 | 91% | 0.911 | 77% | 0.774 | S | S | * | * | | | trans | -174.7 | 101.1 | 146.8 | -106 | 163.5 | 0 | 0 | 0 | 110.1 | | |
| 1271 | D | 27.4 | Very low | 28.6 | Very low | 154 Ų | 154 | 136.6 Ų | 136.6 | 82% | 0.824 | 78% | 0.778 | S | S | * | * | | | trans | -81.4 | 178.1 | 168.4 | -106.5 | -41.1 | 0 | 0 | 0 | 111.7 | T1273 | D1271-T1273 PolarHBondContact O-N 3.22Š|
| 1272 | E | 28.9 | Very low | 28.6 | Very low | 137 Ų | 137 | 132.3 Ų | 132.3 | 64% | 0.64 | 77% | 0.773 | S | S | * | * | | | trans | -43.1 | 115.9 | -170.9 | -52.9 | -175 | 145.4 | 0 | 0 | 116.8 | | |
| 1273 | T | 29 | Very low | 28.5 | Very low | 130 Ų | 130 | 125.8 Ų | 125.8 | 80% | 0.798 | 75% | 0.749 | S | S | * | * | | | trans | -163.3 | 132.2 | 135.4 | 5.2 | 0 | 0 | 0 | 0 | 115 | D1271 | D1271-T1273 PolarHBondContact O-N 3.22Š|
| 1274 | S | 25 | Very low | 28.7 | Very low | 99 Ų | 99 | 128.5 Ų | 128.5 | 69% | 0.692 | 75% | 0.754 | S | S | * | * | | | trans | 43.5 | 143.6 | 138.9 | -61.4 | 0 | 0 | 0 | 0 | 124.9 | | |
| 1275 | T | 26.2 | Very low | 29 | Very low | 131 Ų | 131 | 131.4 Ų | 131.4 | 80% | 0.804 | 75% | 0.754 | S | S | * | * | | | trans | 72.1 | 108.5 | 143.2 | 41.5 | 0 | 0 | 0 | 0 | 122.6 | | |
| 1276 | S | 25.3 | Very low | 29 | Very low | 93 Ų | 93 | 128.7 Ų | 128.7 | 65% | 0.65 | 74% | 0.741 | S | S | * | * | | | | 59.1 | 107 | 119 | -178.9 | 0 | 0 | 0 | 0 | 121.5 | | |
| 1277 | M | 30.5 | Very low | 29.3 | Very low | 137 Ų | 137 | 128.1 Ų | 128.1 | 68% | 0.675 | 74% | 0.736 | S | S | * | * | | | | -147.9 | 129.6 | 117.4 | -82 | -144.8 | -109.9 | 0 | 0 | 108.2 | P901 | P901-M1277 HydrophobicContact CG-CE 3.82Š|
| 1278 | I | 31.1 | Very low | 29.4 | Very low | 150 Ų | 150 | 131.4 Ų | 131.4 | 77% | 0.769 | 74% | 0.737 | S | S | * | * | | | | 70.9 | 123.2 | 65.7 | -62 | 168.1 | 0 | 0 | 0 | 111.7 | | |
| 1279 | G | 27.6 | Very low | 29.4 | Very low | 60 Ų | 60 | 128.9 Ų | 128.9 | 62% | 0.619 | 73% | 0.731 | S | S | * | * | | | cis | 171.8 | -175 | -9.2 | 0 | 0 | 0 | 0 | 0 | 115.9 | | |
| 1280 | N | 28.5 | Very low | 29.3 | Very low | 172 Ų | 172 | 128.7 Ų | 128.7 | 92% | 0.92 | 73% | 0.73 | S | S | * | * | | | trans | -157.1 | 113.3 | 136.4 | -106.5 | -59.4 | 0 | 0 | 0 | 107.2 | L1282 | N1280-L1282 PolarHBondContact O-N 2.86Š|
| 1281 | S | 24.5 | Very low | 29.3 | Very low | 119 Ų | 119 | 127.3 Ų | 127.3 | 83% | 0.832 | 73% | 0.728 | S | S | * | * | | | trans | -75.3 | 114.3 | -167.7 | 30.6 | 0 | 0 | 0 | 0 | 112.2 | | |
| 1282 | L | 30.8 | Very low | 29.4 | Very low | 158 Ų | 158 | 125.6 Ų | 125.6 | 83% | 0.827 | 72% | 0.719 | S | S | * | * | | | trans | -130.4 | 131 | 147.1 | -76.2 | 177.5 | 0 | 0 | 0 | 107.3 | N1280 | N1280-L1282 PolarHBondContact O-N 2.86Š|
| 1283 | S | 28.8 | Very low | 29.4 | Very low | 60 Ų | 60 | 126 Ų | 126 | 42% | 0.42 | 73% | 0.726 | S | S | . | * | | | trans | -57.3 | 140.2 | -170.1 | 144 | 0 | 0 | 0 | 0 | 112 | N1285 D1286 | S1283-N1285 PolarHBondContact O-N 3.07Å; S1283-N1285 WeakPolarHBondContact OG-CB 3.44Å; S1283-N1285 PolarHBondContact OG-N 2.93Å; S1283-D1286 WeakPolarHBondContact CB-OD1 3.23Å; S1283-D1286 PolarHBondContact OG-OD1 3.14Å |
| 1284 | L | 37.3 | Very low | 29.5 | Very low | 173 Ų | 173 | 128.2 Ų | 128.2 | 91% | 0.906 | 73% | 0.731 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -75.5 | -8.2 | 171.3 | -117.5 | 76.7 | 0 | 0 | 0 | 112.6 | | |
| 1285 | N | 33.8 | Very low | 29.6 | Very low | 127 Ų | 127 | 128.4 Ų | 128.4 | 68% | 0.679 | 73% | 0.732 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -92.9 | -6.3 | -173.5 | -59.6 | -21.6 | 0 | 0 | 0 | 113.3 | S1283 M1287 K1288 | S1283-N1285 PolarHBondContact O-N 3.07Å; S1283-N1285 WeakPolarHBondContact OG-CB 3.44Å; S1283-N1285 PolarHBondContact OG-N 2.93Å; N1285-M1287 PolarHBondContact O-N 3.08Å; N1285-K1288 PolarHBondContact O-N 3.35Å; N1285-K1288 VanDerWaalsContact O-N 3.12Å |
| 1286 | D | 30.5 | Very low | 29.7 | Very low | 108 Ų | 108 | 129.8 Ų | 129.8 | 58% | 0.578 | 74% | 0.735 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -74 | 33.6 | -175.3 | -54.6 | -4.7 | 0 | 0 | 0 | 112.8 | S1283 | S1283-D1286 WeakPolarHBondContact CB-OD1 3.23Å; S1283-D1286 PolarHBondContact OG-OD1 3.14Å |
| 1287 | M | 34.7 | Very low | 29.8 | Very low | 116 Ų | 116 | 131.5 Ų | 131.5 | 57% | 0.571 | 74% | 0.741 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -148.2 | 25.2 | 171.5 | -148 | 174.4 | -65.8 | 0 | 0 | 112.3 | N1285 C1289 | N1285-M1287 PolarHBondContact O-N 3.08Å; M1287-C1289 PolarHBondContact O-N 3.35Å |
| 1288 | K | 28.7 | Very low | 29.8 | Very low | 191 Ų | 191 | 130.7 Ų | 130.7 | 83% | 0.83 | 75% | 0.745 | S | S | * | * | | | trans | -68.5 | 69.4 | 148.3 | -90.2 | -167.3 | 172.7 | -172.7 | 0 | 109 | N1285 T1290 | N1285-K1288 PolarHBondContact O-N 3.35Å; N1285-K1288 VanDerWaalsContact O-N 3.12Å; K1288-T1290 VanDerWaalsContact C-N 3.27Å; K1288-T1290 PolarHBondContact O-N 3.02Å; K1288-T1290 VanDerWaalsContact O-N 3.13Å |
| 1289 | C | 29 | Very low | 29.9 | Very low | 101 Ų | 101 | 133 Ų | 133 | 68% | 0.682 | 75% | 0.752 | S | S | * | * | | | trans | -77.4 | 88.3 | 158.7 | -65.3 | 0 | 0 | 0 | 0 | 106.6 | M1287 T1291 | M1287-C1289 PolarHBondContact O-N 3.35Å; C1289-T1291 PolarHBondContact O-N 3.48Å; C1289-T1291 PolarHBondContact O-OG1 2.8Å |
| 1290 | T | 27 | Very low | 30.2 | Very low | 113 Ų | 113 | 133.5 Ų | 133.5 | 69% | 0.693 | 75% | 0.751 | S | S | * | * | | | trans | -50.9 | 121.4 | 165.6 | 38.2 | 0 | 0 | 0 | 0 | 108 | K1288 N1292 | K1288-T1290 VanDerWaalsContact C-N 3.27Å; K1288-T1290 PolarHBondContact O-N 3.02Å; K1288-T1290 VanDerWaalsContact O-N 3.13Å; T1290-N1292 PolarHBondContact O-N 2.71Å |
| 1291 | T | 30.9 | Very low | 31.1 | Very low | 144 Ų | 144 | 133 Ų | 133 | 88% | 0.883 | 75% | 0.748 | S | S | * | * | | | trans | -85.9 | 52.9 | -174.7 | -43.3 | 0 | 0 | 0 | 0 | 110.1 | C1289 | C1289-T1291 PolarHBondContact O-N 3.48Å; C1289-T1291 PolarHBondContact O-OG1 2.8Å |
| 1292 | N | 29.3 | Very low | 32.6 | Very low | 119 Ų | 119 | 136.3 Ų | 136.3 | 64% | 0.636 | 75% | 0.747 | S | S | * | * | | | trans | -120.6 | 140.3 | -179.8 | -81.7 | 62.5 | 0 | 0 | 0 | 108.9 | T1290 | T1290-N1292 PolarHBondContact O-N 2.71Š|
| 1293 | D | 29.4 | Very low | 34.1 | Very low | 146 Ų | 146 | 131.3 Ų | 131.3 | 78% | 0.781 | 72% | 0.724 | S | S | * | * | | | trans | 71 | 117.2 | 157 | -45.6 | -32.4 | 0 | 0 | 0 | 118.5 | | |
| 1294 | I | 30.2 | Very low | 36.3 | Very low | 175 Ų | 175 | 131.5 Ų | 131.5 | 90% | 0.897 | 73% | 0.725 | S | S | * | * | | | trans | -94.3 | 114.5 | 175.9 | -62.4 | 163.7 | 0 | 0 | 0 | 107.5 | | |
| 1295 | S | 27.8 | Very low | 37.7 | Very low | 104 Ų | 104 | 125.4 Ų | 125.4 | 73% | 0.727 | 70% | 0.695 | S | S | * | * | | | trans | -169.1 | 144.4 | 147.6 | 37.7 | 0 | 0 | 0 | 0 | 113.9 | T1297 | S1295-T1297 PolarHBondContact O-N 2.83Š|
| 1296 | N | 27.7 | Very low | 39.4 | Very low | 160 Ų | 160 | 124 Ų | 124 | 86% | 0.856 | 69% | 0.687 | S | S | * | * | | | trans | -28.2 | 111.5 | 172.7 | -53.9 | -30.9 | 0 | 0 | 0 | 117 | | |
| 1297 | T | 28 | Very low | 41.4 | Very low | 128 Ų | 128 | 121 Ų | 121 | 79% | 0.785 | 67% | 0.672 | S | S | * | * | | | trans | -165.4 | 133.5 | 139.9 | 8.3 | 0 | 0 | 0 | 0 | 113.8 | S1295 | S1295-T1297 PolarHBondContact O-N 2.83Š|
| 1298 | T | 30.1 | Very low | 43.1 | Very low | 121 Ų | 121 | 115.7 Ų | 115.7 | 74% | 0.742 | 65% | 0.646 | S | S | * | * | | | trans | 33.2 | 91.1 | 154.2 | 52.9 | 0 | 0 | 0 | 0 | 119.7 | A1300 | T1298-A1300 PolarHBondContact O-N 3.43Š|
| 1299 | E | 32.7 | Very low | 45.1 | Very low | 197 Ų | 197 | 108 Ų | 108 | 92% | 0.921 | 61% | 0.614 | S | S | * | * | | | trans | 18.6 | 15.1 | 132.6 | -139.9 | 171.3 | -157.6 | 0 | 0 | 124.1 | | |
| 1300 | A | 34.1 | Very low | 47.2 | Very low | 72 Ų | 72 | 107.6 Ų | 107.6 | 60% | 0.595 | 60% | 0.598 | S | S | * | * | | | trans | -96.4 | 154.9 | 177.4 | 0 | 0 | 0 | 0 | 0 | 112.3 | T1298 | T1298-A1300 PolarHBondContact O-N 3.43Š|
| 1301 | N | 48.5 | Very low | 49.4 | Very low | 161 Ų | 161 | 106.3 Ų | 106.3 | 86% | 0.861 | 58% | 0.581 | S | S | * | * | | | trans | 76.4 | 11.5 | 171.1 | -55 | -35.5 | 0 | 0 | 0 | 119.7 | P1303 | N1301-P1303 WeakPolarHBondContact O-CD 3.42Š|
| 1302 | K | 55 | Low | 51.4 | Low | 189 Ų | 189 | 99.6 Ų | 99.6 | 82% | 0.822 | 54% | 0.539 | S | S | * | . | P | Polyproline II helix | trans | -61.9 | 121.4 | 159.6 | -77.6 | 179.6 | -179.3 | 169.5 | 0 | 109.2 | S1304 | K1302-S1304 PolarHBondContact O-N 3.01Š|
| 1303 | P | 62.5 | Low | 53.4 | Low | 52 Ų | 52 | 94.4 Ų | 94.4 | 34% | 0.338 | 51% | 0.513 | S | S | . | . | P | Polyproline II helix | trans | -66.5 | 133.1 | -176.9 | 26.4 | -33.4 | 0 | 0 | 0 | 110.1 | N1301 T1307 I1308 | N1301-P1303 WeakPolarHBondContact O-CD 3.42Å; P1303-T1307 HydrophobicContact CB-CG2 4.39Å; P1303-I1308 HydrophobicContact CB-CG1 4.33Å; P1303-I1308 HydrophobicContact CG-CD1 4.26Å; P1303-I1308 HydrophobicContact CG-CG1 4.08Å; P1303-I1308 VanDerWaalsContact O-CD1 3.25Å; P1303-I1308 WeakPolarHBondContact O-CD1 3.49Å |
| 1304 | S | 74.8 | Confident | 55.4 | Low | 64 Ų | 64 | 95.3 Ų | 95.3 | 45% | 0.448 | 51% | 0.506 | S | S | . | . | P | Polyproline II helix | trans | -58.1 | 149 | -176.1 | 76.8 | 0 | 0 | 0 | 0 | 112.2 | K1302 I1306 T1307 I1308 | K1302-S1304 PolarHBondContact O-N 3.01Å; S1304-I1306 PolarHBondContact O-N 2.92Å; S1304-I1306 VanDerWaalsContact O-N 3.1Å; S1304-T1307 WeakPolarHBondContact O-CA 3.5Å; S1304-T1307 VanDerWaalsContact O-CB 3.31Å; S1304-T1307 WeakPolarHBondContact O-CB 3.33Å; S1304-T1307 PolarHBondContact O-N 3.1Å; S1304-T1307 PolarHBondContact OG-N 2.93Å; S1304-T1307 PolarHBondContact OG-OG1 2.87Å; S1304-I1308 PolarHBondContact O-N 3.25Å |
| 1305 | V | 68.2 | Low | 57.2 | Low | 46 Ų | 46 | 89.4 Ų | 89.4 | 28% | 0.279 | 47% | 0.472 | S | S | . | . | H | α-helix | trans | -52.9 | -36.6 | 178.7 | 178.8 | 0 | 0 | 0 | 0 | 111.3 | L1126 K1130 T1307 I1308 L1309 | L1126-V1305 HydrophobicContact CD2-CG1 4.03Å; K1130-V1305 HydrophobicContact CD-CG1 4.43Å; V1305-T1307 PolarHBondContact O-N 3.34Å; V1305-I1308 PolarHBondContact O-N 3.12Å; V1305-L1309 HydrophobicContact CG1-CD1 3.74Å; V1305-L1309 HydrophobicContact CG1-CG 4.24Å; V1305-L1309 WeakPolarHBondContact O-CB 3.3Å; V1305-L1309 WeakPolarHBondContact O-CD1 3.4Å; V1305-L1309 WeakPolarHBondContact O-CG 3.37Å; V1305-L1309 PolarHBondContact O-N 3.43Å |
| 1306 | I | 69.2 | Low | 59.2 | Low | 97 Ų | 97 | 84.5 Ų | 84.5 | 50% | 0.497 | 44% | 0.438 | S | S | . | . | H | α-helix | trans | -63.2 | -38.6 | 174.8 | -60.6 | 172.5 | 0 | 0 | 0 | 111.9 | S1304 R1310 | S1304-I1306 PolarHBondContact O-N 2.92Å; S1304-I1306 VanDerWaalsContact O-N 3.1Å; I1306-R1310 VanDerWaalsContact O-CB 3.29Å; I1306-R1310 WeakPolarHBondContact O-CB 3.42Å; I1306-R1310 PolarHBondContact O-N 3.41Å |
| 1307 | T | 72.2 | Confident | 61.2 | Low | 44 Ų | 44 | 79.2 Ų | 79.2 | 27% | 0.27 | 42% | 0.416 | S | S | . | . | H | α-helix | trans | -69.2 | -42.4 | 175.4 | -64.3 | 0 | 0 | 0 | 0 | 111.6 | P1303 S1304 V1305 R1310 R1311 | P1303-T1307 HydrophobicContact CB-CG2 4.39Å; S1304-T1307 WeakPolarHBondContact O-CA 3.5Å; S1304-T1307 VanDerWaalsContact O-CB 3.31Å; S1304-T1307 WeakPolarHBondContact O-CB 3.33Å; S1304-T1307 PolarHBondContact O-N 3.1Å; S1304-T1307 PolarHBondContact OG-N 2.93Å; S1304-T1307 PolarHBondContact OG-OG1 2.87Å; V1305-T1307 PolarHBondContact O-N 3.34Å; T1307-R1310 PolarHBondContact O-N 2.87Å; T1307-R1311 WeakPolarHBondContact O-CG 3.45Å; T1307-R1311 PolarHBondContact O-N 3.29Å |
| 1308 | I | 70.5 | Confident | 63.2 | Low | 5 Ų | 5 | 77 Ų | 77 | 3% | 0.026 | 40% | 0.399 | C | S | . | . | H | α-helix | trans | -61.5 | -48.5 | 175.9 | -62.7 | 160.4 | 0 | 0 | 0 | 110.1 | L1122 Q1125 L1126 P1303 S1304 V1305 R1310 R1311 L1312 | L1122-I1308 HydrophobicContact CD2-CG2 4.24Å; L1122-I1308 WeakPolarHBondContact O-CG2 3.33Å; Q1125-I1308 HydrophobicContact CB-CD1 3.9Å; Q1125-I1308 HydrophobicContact CB-CG1 4.3Å; Q1125-I1308 HydrophobicContact CB-CG2 4.22Å; Q1125-I1308 WeakPolarHBondContact O-CD1 3.3Å; L1126-I1308 HydrophobicContact CD2-CB 4.18Å; L1126-I1308 HydrophobicContact CD2-CG2 3.67Å; L1126-I1308 HydrophobicContact CG-CG2 4.01Å; P1303-I1308 HydrophobicContact CB-CG1 4.33Å; P1303-I1308 HydrophobicContact CG-CD1 4.26Å; P1303-I1308 HydrophobicContact CG-CG1 4.08Å; P1303-I1308 VanDerWaalsContact O-CD1 3.25Å; P1303-I1308 WeakPolarHBondContact O-CD1 3.49Å; S1304-I1308 PolarHBondContact O-N 3.25Å; V1305-I1308 PolarHBondContact O-N 3.12Å; I1308-R1310 PolarHBondContact O-N 3.05Å; I1308-R1311 CarbonylContact O-C 3.47Å; I1308-R1311 WeakPolarHBondContact O-CA 3.48Å; I1308-R1311 WeakPolarHBondContact O-CB 3.33Å; I1308-R1311 PolarHBondContact O-N 2.84Å; I1308-R1311 VanDerWaalsContact O-N 3.13Å; I1308-L1312 WeakPolarHBondContact O-CB 3.33Å; I1308-L1312 PolarHBondContact O-N 3.38Å |
| 1309 | L | 70.4 | Confident | 64.9 | Low | 30 Ų | 30 | 71.7 Ų | 71.7 | 16% | 0.157 | 37% | 0.366 | C | S | . | . | H | α-helix | trans | -62.8 | -38.7 | 177.3 | -68.9 | 164.9 | 0 | 0 | 0 | 113 | L1126 I1134 L1201 V1305 R1311 L1312 A1313 | L1126-L1309 HydrophobicContact CD1-CD2 4.48Å; L1126-L1309 HydrophobicContact CD2-CD2 4.27Å; L1126-L1309 HydrophobicContact CD2-CG 4.33Å; I1134-L1309 HydrophobicContact CD1-CD2 4.06Å; I1134-L1309 HydrophobicContact CG1-CD2 4.38Å; L1201-L1309 HydrophobicContact CD1-CD1 3.44Å; L1201-L1309 VanDerWaalsContact CD1-CD1 3.44Å; L1201-L1309 HydrophobicContact CD1-CD2 3.54Å; L1201-L1309 HydrophobicContact CD1-CG 4.08Å; V1305-L1309 HydrophobicContact CG1-CD1 3.74Å; V1305-L1309 HydrophobicContact CG1-CG 4.24Å; V1305-L1309 WeakPolarHBondContact O-CB 3.3Å; V1305-L1309 WeakPolarHBondContact O-CD1 3.4Å; V1305-L1309 WeakPolarHBondContact O-CG 3.37Å; V1305-L1309 PolarHBondContact O-N 3.43Å; L1309-R1311 VanDerWaalsContact C-N 3.33Å; L1309-L1312 PolarHBondContact O-N 2.99Å; L1309-A1313 WeakPolarHBondContact O-CB 3.27Å; L1309-A1313 PolarHBondContact O-N 3.1Å |
| 1310 | R | 72.4 | Confident | 66.5 | Low | 93 Ų | 93 | 64.7 Ų | 64.7 | 35% | 0.351 | 33% | 0.334 | S | S | . | . | H | α-helix | trans | -66.7 | -34.4 | 174.4 | -168.5 | -173.8 | -61.2 | 139.2 | 6.3 | 111.8 | I1306 T1307 I1308 R1314 | I1306-R1310 VanDerWaalsContact O-CB 3.29Å; I1306-R1310 WeakPolarHBondContact O-CB 3.42Å; I1306-R1310 PolarHBondContact O-N 3.41Å; T1307-R1310 PolarHBondContact O-N 2.87Å; I1308-R1310 PolarHBondContact O-N 3.05Å; R1310-R1314 WeakPolarHBondContact O-CD 3.36Å; R1310-R1314 VanDerWaalsContact O-CG 3.25Å; R1310-R1314 WeakPolarHBondContact O-CG 3.41Å; R1310-R1314 PolarHBondContact O-N 2.91Å |
| 1311 | R | 74.7 | Confident | 68.1 | Low | 85 Ų | 85 | 64 Ų | 64 | 32% | 0.321 | 33% | 0.328 | S | S | . | . | H | α-helix | trans | -66.2 | -49.3 | 170.6 | -72 | 169.5 | 172.6 | -178.8 | -3.5 | 110.2 | L1122 T1307 I1308 L1309 A1313 R1314 Y1315 | L1122-R1311 HydrophobicContact CD1-CB 3.85Å; L1122-R1311 HydrophobicContact CD2-CB 3.82Å; T1307-R1311 WeakPolarHBondContact O-CG 3.45Å; T1307-R1311 PolarHBondContact O-N 3.29Å; I1308-R1311 CarbonylContact O-C 3.47Å; I1308-R1311 WeakPolarHBondContact O-CA 3.48Å; I1308-R1311 WeakPolarHBondContact O-CB 3.33Å; I1308-R1311 PolarHBondContact O-N 2.84Å; I1308-R1311 VanDerWaalsContact O-N 3.13Å; L1309-R1311 VanDerWaalsContact C-N 3.33Å; R1311-A1313 PolarHBondContact O-N 3.09Å; R1311-R1314 PolarHBondContact O-N 2.93Å; R1311-Y1315 HydrophobicContact CB-CE2 4.47Å; R1311-Y1315 WeakPolarHBondContact O-CD2 3.3Å; R1311-Y1315 PolarHBondContact O-N 3.29Å; R1311-Y1315 VanDerWaalsContact O-N 3.09Å |
| 1312 | L | 72 | Confident | 69 | Low | 3 Ų | 3 | 57.8 Ų | 57.8 | 2% | 0.016 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -55 | -51.5 | 178.1 | -167.5 | 80.2 | 0 | 0 | 0 | 111.6 | L1119 L1122 I1123 I1134 I1308 L1309 R1314 Y1315 L1316 | L1119-L1312 HydrophobicContact CD2-CD1 3.77Å; L1119-L1312 HydrophobicContact CD2-CG 4.41Å; L1122-L1312 HydrophobicContact CB-CD1 3.99Å; I1123-L1312 HydrophobicContact CD1-CD1 4.49Å; I1123-L1312 HydrophobicContact CG1-CD1 3.91Å; I1134-L1312 HydrophobicContact CG1-CD2 3.95Å; I1134-L1312 HydrophobicContact CG2-CD2 4.02Å; I1308-L1312 WeakPolarHBondContact O-CB 3.33Å; I1308-L1312 PolarHBondContact O-N 3.38Å; L1309-L1312 PolarHBondContact O-N 2.99Å; L1312-R1314 VanDerWaalsContact C-N 3.3Å; L1312-R1314 PolarHBondContact O-N 3.11Å; L1312-Y1315 PolarHBondContact O-N 2.91Å; L1312-L1316 VanDerWaalsContact O-CB 3.3Å; L1312-L1316 WeakPolarHBondContact O-CB 3.31Å; L1312-L1316 PolarHBondContact O-N 2.67Å |
| 1313 | A | 71.2 | Confident | 69.5 | Low | 10 Ų | 10 | 53.6 Ų | 53.6 | 8% | 0.083 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -59 | -37.1 | 178.8 | 0 | 0 | 0 | 0 | 0 | 113.1 | L1197 L1309 R1311 A1317 | L1197-A1313 HydrophobicContact CD1-CB 3.73Å; L1309-A1313 WeakPolarHBondContact O-CB 3.27Å; L1309-A1313 PolarHBondContact O-N 3.1Å; R1311-A1313 PolarHBondContact O-N 3.09Å; A1313-A1317 WeakPolarHBondContact O-CB 3.4Å; A1313-A1317 PolarHBondContact O-N 2.97Å |
| 1314 | R | 71.2 | Confident | 69.6 | Low | 166 Ų | 166 | 57.5 Ų | 57.5 | 63% | 0.626 | 29% | 0.285 | S | S | * | . | H | α-helix | trans | -67.9 | -45.4 | 176.2 | -74.8 | 171.7 | 177.4 | -165.1 | -2.6 | 112.1 | R1310 R1311 L1312 L1316 A1317 L1318 | R1310-R1314 WeakPolarHBondContact O-CD 3.36Å; R1310-R1314 VanDerWaalsContact O-CG 3.25Å; R1310-R1314 WeakPolarHBondContact O-CG 3.41Å; R1310-R1314 PolarHBondContact O-N 2.91Å; R1311-R1314 PolarHBondContact O-N 2.93Å; L1312-R1314 VanDerWaalsContact C-N 3.3Å; L1312-R1314 PolarHBondContact O-N 3.11Å; R1314-L1316 VanDerWaalsContact C-N 3.35Å; R1314-A1317 PolarHBondContact O-N 3.17Å; R1314-L1318 WeakPolarHBondContact O-CG 3.45Å; R1314-L1318 PolarHBondContact O-N 2.86Å |
| 1315 | Y | 68.9 | Low | 69.4 | Low | 50 Ų | 50 | 60.4 Ų | 60.4 | 20% | 0.196 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -68.1 | -35.6 | 176.6 | -69.8 | -64.8 | 0 | 0 | 0 | 112.5 | Y1115 K1118 L1122 R1311 L1312 L1318 R1319 | Y1115-Y1315 AromaticContact CD1-CD1 3.79Å; Y1115-Y1315 HydrophobicContact CD1-CD1 3.79Å; Y1115-Y1315 HydrophobicContact CD1-CE1 4.34Å; Y1115-Y1315 HydrophobicContact CE1-CD1 4.05Å; Y1115-Y1315 HydrophobicContact CE1-CE1 4.32Å; K1118-Y1315 HydrophobicContact CD-CD1 4.45Å; K1118-Y1315 HydrophobicContact CD-CE1 3.77Å; K1118-Y1315 HydrophobicContact CD-CE2 4.23Å; K1118-Y1315 WeakPolarHBondContact CE-OH 3.45Å; K1118-Y1315 HydrophobicContact CG-CE2 4.35Å; K1118-Y1315 PolarHBondContact NZ-OH 3.08Å; L1122-Y1315 HydrophobicContact CD1-CD2 3.46Å; L1122-Y1315 VanDerWaalsContact CD1-CD2 3.46Å; L1122-Y1315 HydrophobicContact CD1-CE2 3.8Å; R1311-Y1315 HydrophobicContact CB-CE2 4.47Å; R1311-Y1315 WeakPolarHBondContact O-CD2 3.3Å; R1311-Y1315 PolarHBondContact O-N 3.29Å; R1311-Y1315 VanDerWaalsContact O-N 3.09Å; L1312-Y1315 PolarHBondContact O-N 2.91Å; Y1315-L1318 HydrophobicContact CD1-CD1 4.15Å; Y1315-L1318 HydrophobicContact CE1-CD1 4.45Å; Y1315-L1318 PolarHBondContact O-N 3.16Å; Y1315-R1319 WeakPolarHBondContact O-CB 3.33Å; Y1315-R1319 PolarHBondContact O-N 3.41Å |
| 1316 | L | 68.7 | Low | 69.1 | Low | 1 Ų | 1 | 59.5 Ų | 59.5 | 1% | 0.005 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -63.4 | -43.1 | 174.3 | -166.3 | 57.4 | 0 | 0 | 0 | 111.5 | L1138 M1141 V1143 L1193 L1312 R1314 R1319 I1320 | L1138-L1316 HydrophobicContact CD2-CD1 3.76Å; L1138-L1316 HydrophobicContact CD2-CD2 3.97Å; M1141-L1316 HydrophobicContact CE-CD1 4.27Å; M1141-L1316 HydrophobicContact CE-CD2 3.7Å; M1141-L1316 HydrophobicContact CE-CG 3.89Å; M1141-L1316 HydrophobicContact SD-CD2 3.92Å; V1143-L1316 HydrophobicContact CG2-CD1 3.9Å; L1193-L1316 HydrophobicContact CD2-CB 4.33Å; L1193-L1316 HydrophobicContact CD2-CD2 4.13Å; L1193-L1316 HydrophobicContact CD2-CG 4.16Å; L1312-L1316 VanDerWaalsContact O-CB 3.3Å; L1312-L1316 WeakPolarHBondContact O-CB 3.31Å; L1312-L1316 PolarHBondContact O-N 2.67Å; R1314-L1316 VanDerWaalsContact C-N 3.35Å; L1316-R1319 PolarHBondContact O-N 3.08Å; L1316-I1320 HydrophobicContact CG-CD1 4.42Å; L1316-I1320 WeakPolarHBondContact O-CD1 3.49Å; L1316-I1320 VanDerWaalsContact O-CG1 3.28Å; L1316-I1320 WeakPolarHBondContact O-CG1 3.41Å; L1316-I1320 PolarHBondContact O-N 3.45Å |
| 1317 | A | 69.9 | Low | 69 | Low | 49 Ų | 49 | 59.6 Ų | 59.6 | 41% | 0.405 | 29% | 0.288 | S | S | . | . | H | α-helix | trans | -64.1 | -41.7 | 173.7 | 0 | 0 | 0 | 0 | 0 | 113 | A1313 R1314 I1320 A1321 | A1313-A1317 WeakPolarHBondContact O-CB 3.4Å; A1313-A1317 PolarHBondContact O-N 2.97Å; R1314-A1317 PolarHBondContact O-N 3.17Å; A1317-I1320 PolarHBondContact O-N 2.8Å; A1317-A1321 WeakPolarHBondContact O-CB 3.46Å; A1317-A1321 PolarHBondContact O-N 3.1Å |
| 1318 | L | 70.7 | Confident | 68.7 | Low | 81 Ų | 81 | 59.9 Ų | 59.9 | 42% | 0.424 | 29% | 0.294 | S | S | . | . | H | α-helix | trans | -61.9 | -43.5 | 174.9 | -73.5 | 168.4 | 0 | 0 | 0 | 112 | Y1115 R1314 Y1315 I1320 A1321 N1322 | Y1115-L1318 HydrophobicContact CE1-CD1 4.29Å; R1314-L1318 WeakPolarHBondContact O-CG 3.45Å; R1314-L1318 PolarHBondContact O-N 2.86Å; Y1315-L1318 HydrophobicContact CD1-CD1 4.15Å; Y1315-L1318 HydrophobicContact CE1-CD1 4.45Å; Y1315-L1318 PolarHBondContact O-N 3.16Å; L1318-I1320 PolarHBondContact O-N 3.37Å; L1318-A1321 WeakPolarHBondContact O-CB 3.48Å; L1318-A1321 PolarHBondContact O-N 3.22Å; L1318-N1322 PolarHBondContact O-N 2.97Å |
| 1319 | R | 64.5 | Low | 68.5 | Low | 11 Ų | 11 | 61.9 Ų | 61.9 | 4% | 0.042 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -62.6 | -40.5 | 176.5 | -165.7 | 179.9 | -167.6 | -109.1 | 15.9 | 112 | D1116 Y1315 L1316 N1322 K1323 | D1116-R1319 VanDerWaalsContact CG-NH2 3.28Å; D1116-R1319 IonicContact OD1-CZ 3.4Å; D1116-R1319 IonicContact OD1-NE 3.44Å; D1116-R1319 PolarHBondContact OD1-NE 3.24Å; D1116-R1319 IonicContact OD1-NH2 3.08Å; D1116-R1319 PolarHBondContact OD1-NH2 3.33Å; D1116-R1319 IonicContact OD2-NH2 2.57Å; D1116-R1319 PolarHBondContact OD2-NH2 2.98Å; Y1315-R1319 WeakPolarHBondContact O-CB 3.33Å; Y1315-R1319 PolarHBondContact O-N 3.41Å; L1316-R1319 PolarHBondContact O-N 3.08Å; R1319-N1322 PolarHBondContact O-N 3.41Å; R1319-K1323 PolarHBondContact O-N 2.89Å |
| 1320 | I | 67.3 | Low | 67.9 | Low | 49 Ų | 49 | 61.7 Ų | 61.7 | 25% | 0.251 | 31% | 0.31 | S | S | . | . | H | α-helix | trans | -66.3 | -38.7 | 174.5 | -68.3 | 163.8 | 0 | 0 | 0 | 111.2 | M1141 L1316 A1317 L1318 R1324 | M1141-I1320 HydrophobicContact CE-CD1 3.71Å; L1316-I1320 HydrophobicContact CG-CD1 4.42Å; L1316-I1320 WeakPolarHBondContact O-CD1 3.49Å; L1316-I1320 VanDerWaalsContact O-CG1 3.28Å; L1316-I1320 WeakPolarHBondContact O-CG1 3.41Å; L1316-I1320 PolarHBondContact O-N 3.45Å; A1317-I1320 PolarHBondContact O-N 2.8Å; L1318-I1320 PolarHBondContact O-N 3.37Å; I1320-R1324 WeakPolarHBondContact O-CB 3.25Å; I1320-R1324 WeakPolarHBondContact O-CG 3.46Å; I1320-R1324 PolarHBondContact O-N 2.97Å |
| 1321 | A | 67.6 | Low | 67.5 | Low | 57 Ų | 57 | 61.9 Ų | 61.9 | 47% | 0.471 | 32% | 0.318 | S | S | . | . | H | α-helix | trans | -65 | -43.2 | 174.9 | 0 | 0 | 0 | 0 | 0 | 112.1 | A1317 L1318 R1324 H1325 | A1317-A1321 WeakPolarHBondContact O-CB 3.46Å; A1317-A1321 PolarHBondContact O-N 3.1Å; L1318-A1321 WeakPolarHBondContact O-CB 3.48Å; L1318-A1321 PolarHBondContact O-N 3.22Å; A1321-R1324 PolarHBondContact O-N 3.49Å; A1321-H1325 PolarHBondContact O-N 3.47Å |
| 1322 | N | 66.8 | Low | 67.2 | Low | 31 Ų | 31 | 63.6 Ų | 63.6 | 17% | 0.166 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -59.4 | -53 | 175.5 | -161.8 | 69.7 | 0 | 0 | 0 | 111 | E1112 L1318 R1319 R1324 H1325 S1326 | E1112-N1322 WeakPolarHBondContact CG-ND2 3.48Å; E1112-N1322 PolarHBondContact OE1-ND2 2.81Å; L1318-N1322 PolarHBondContact O-N 2.97Å; R1319-N1322 PolarHBondContact O-N 3.41Å; N1322-R1324 VanDerWaalsContact C-N 3.28Å; N1322-R1324 PolarHBondContact O-N 3.48Å; N1322-H1325 WeakPolarHBondContact O-CB 3.29Å; N1322-H1325 PolarHBondContact O-N 3.14Å; N1322-S1326 PolarHBondContact O-N 3.08Å; N1322-S1326 PolarHBondContact O-OG 2.8Å |
| 1323 | K | 65.1 | Low | 66.9 | Low | 101 Ų | 101 | 68 Ų | 68 | 44% | 0.439 | 35% | 0.35 | S | S | . | . | H | α-helix | trans | -57.4 | -37.4 | 176.4 | -75 | -163.7 | 170.8 | -160.7 | 0 | 113.4 | R1319 L1327 | R1319-K1323 PolarHBondContact O-N 2.89Å; K1323-L1327 VanDerWaalsContact O-CB 3.27Å; K1323-L1327 WeakPolarHBondContact O-CB 3.4Å; K1323-L1327 PolarHBondContact O-N 2.7Å |
| 1324 | R | 65.6 | Low | 66.4 | Low | 134 Ų | 134 | 72.4 Ų | 72.4 | 51% | 0.506 | 38% | 0.375 | S | S | . | . | H | α-helix | trans | -65.4 | -39.6 | 174.7 | -81.6 | 176.6 | 163.1 | -178.5 | -5.8 | 112.6 | I1320 A1321 N1322 A1328 | I1320-R1324 WeakPolarHBondContact O-CB 3.25Å; I1320-R1324 WeakPolarHBondContact O-CG 3.46Å; I1320-R1324 PolarHBondContact O-N 2.97Å; A1321-R1324 PolarHBondContact O-N 3.49Å; N1322-R1324 VanDerWaalsContact C-N 3.28Å; N1322-R1324 PolarHBondContact O-N 3.48Å; R1324-A1328 WeakPolarHBondContact O-CB 3.27Å; R1324-A1328 PolarHBondContact O-N 2.96Å |
| 1325 | H | 71 | Confident | 66 | Low | 125 Ų | 125 | 67 Ų | 67 | 58% | 0.579 | 37% | 0.366 | S | S | * | . | H | α-helix | trans | -65.4 | -52 | 174.1 | -176.7 | 56.2 | 0 | 0 | 0 | 110.8 | A1321 N1322 L1327 A1328 T1329 | A1321-H1325 PolarHBondContact O-N 3.47Å; N1322-H1325 WeakPolarHBondContact O-CB 3.29Å; N1322-H1325 PolarHBondContact O-N 3.14Å; H1325-L1327 PolarHBondContact O-N 2.94Å; H1325-A1328 WeakPolarHBondContact O-CA 3.41Å; H1325-A1328 WeakPolarHBondContact O-CB 3.49Å; H1325-A1328 PolarHBondContact O-N 3.46Å; H1325-T1329 PolarHBondContact O-N 3.13Å; H1325-T1329 PolarHBondContact O-OG1 3.45Å; H1325-T1329 VanDerWaalsContact O-OG1 3.11Å |
| 1326 | S | 62 | Low | 66 | Low | 28 Ų | 28 | 71.7 Ų | 71.7 | 20% | 0.196 | 38% | 0.384 | C | S | . | . | H | α-helix | trans | -65.3 | -20.4 | -179.2 | -49.1 | 0 | 0 | 0 | 0 | 114.4 | R1106 N1322 A1330 | R1106-S1326 PolarHBondContact NH1-O 3.48Å; N1322-S1326 PolarHBondContact O-N 3.08Å; N1322-S1326 PolarHBondContact O-OG 2.8Å; S1326-A1330 WeakPolarHBondContact O-CB 3.14Å; S1326-A1330 PolarHBondContact O-N 3.38Å |
| 1327 | L | 66 | Low | 65.9 | Low | 99 Ų | 99 | 75 Ų | 75 | 52% | 0.518 | 40% | 0.401 | S | S | . | . | H | α-helix | trans | -81.2 | -40.2 | 168.2 | 178 | 61.2 | 0 | 0 | 0 | 112.2 | K1323 H1325 A1330 N1331 | K1323-L1327 VanDerWaalsContact O-CB 3.27Å; K1323-L1327 WeakPolarHBondContact O-CB 3.4Å; K1323-L1327 PolarHBondContact O-N 2.7Å; H1325-L1327 PolarHBondContact O-N 2.94Å; L1327-A1330 PolarHBondContact O-N 3.01Å; L1327-N1331 PolarHBondContact O-N 3.26Å; L1327-N1331 PolarHBondContact O-ND2 2.94Å |
| 1328 | A | 66.4 | Low | 65.7 | Low | 49 Ų | 49 | 74.6 Ų | 74.6 | 41% | 0.405 | 40% | 0.398 | S | S | . | . | H | α-helix | trans | -62.8 | -43.3 | 175.9 | 0 | 0 | 0 | 0 | 0 | 111.6 | R1324 H1325 N1331 Q1332 | R1324-A1328 WeakPolarHBondContact O-CB 3.27Å; R1324-A1328 PolarHBondContact O-N 2.96Å; H1325-A1328 WeakPolarHBondContact O-CA 3.41Å; H1325-A1328 WeakPolarHBondContact O-CB 3.49Å; H1325-A1328 PolarHBondContact O-N 3.46Å; A1328-N1331 PolarHBondContact O-N 3.08Å; A1328-Q1332 WeakPolarHBondContact O-CG 3.33Å; A1328-Q1332 PolarHBondContact O-N 3.29Å; A1328-Q1332 VanDerWaalsContact O-N 3.09Å |
| 1329 | T | 67.1 | Low | 65.8 | Low | 48 Ų | 48 | 76.2 Ų | 76.2 | 29% | 0.294 | 41% | 0.405 | S | S | . | . | H | α-helix | trans | -60 | -50.7 | 174.2 | -50.2 | 0 | 0 | 0 | 0 | 110.8 | H1325 N1331 Q1332 H1333 | H1325-T1329 PolarHBondContact O-N 3.13Å; H1325-T1329 PolarHBondContact O-OG1 3.45Å; H1325-T1329 VanDerWaalsContact O-OG1 3.11Å; T1329-N1331 VanDerWaalsContact C-N 3.31Å; T1329-N1331 PolarHBondContact O-N 2.86Å; T1329-Q1332 WeakPolarHBondContact O-CA 3.41Å; T1329-Q1332 WeakPolarHBondContact O-CB 3.45Å; T1329-Q1332 PolarHBondContact O-N 2.91Å; T1329-H1333 PolarHBondContact O-CD2 3.49Å; T1329-H1333 PolarHBondContact O-N 2.83Å |
| 1330 | A | 57.9 | Low | 66 | Low | 26 Ų | 26 | 79.1 Ų | 79.1 | 22% | 0.215 | 42% | 0.419 | C | S | . | . | H | α-helix | trans | -58.9 | -39.5 | 178.7 | 0 | 0 | 0 | 0 | 0 | 113.1 | S1326 L1327 Q1332 H1333 V1334 | S1326-A1330 WeakPolarHBondContact O-CB 3.14Å; S1326-A1330 PolarHBondContact O-N 3.38Å; L1327-A1330 PolarHBondContact O-N 3.01Å; A1330-Q1332 VanDerWaalsContact C-N 3.27Å; A1330-Q1332 PolarHBondContact O-N 3.18Å; A1330-H1333 PolarHBondContact O-N 3.22Å; A1330-V1334 WeakPolarHBondContact O-CG2 3.35Å; A1330-V1334 PolarHBondContact O-N 3.49Å |
| 1331 | N | 62.7 | Low | 65.9 | Low | 96 Ų | 96 | 80.1 Ų | 80.1 | 51% | 0.513 | 42% | 0.423 | S | S | . | . | H | α-helix | trans | -65.9 | -27.4 | 173.6 | -72.5 | -31.7 | 0 | 0 | 0 | 113.1 | L1327 A1328 T1329 A1335 | L1327-N1331 PolarHBondContact O-N 3.26Å; L1327-N1331 PolarHBondContact O-ND2 2.94Å; A1328-N1331 PolarHBondContact O-N 3.08Å; T1329-N1331 VanDerWaalsContact C-N 3.31Å; T1329-N1331 PolarHBondContact O-N 2.86Å; N1331-A1335 VanDerWaalsContact O-CB 3.32Å; N1331-A1335 WeakPolarHBondContact O-CB 3.29Å; N1331-A1335 PolarHBondContact O-N 3.02Å; N1331-A1335 VanDerWaalsContact O-N 3.12Å |
| 1332 | Q | 69.2 | Low | 66.2 | Low | 121 Ų | 121 | 84.2 Ų | 84.2 | 57% | 0.565 | 43% | 0.43 | S | S | * | . | H | α-helix | trans | -73.5 | -38.2 | 172.3 | -72.1 | 174.6 | -39.2 | 0 | 0 | 111.9 | A1328 T1329 A1330 A1335 R1336 | A1328-Q1332 WeakPolarHBondContact O-CG 3.33Å; A1328-Q1332 PolarHBondContact O-N 3.29Å; A1328-Q1332 VanDerWaalsContact O-N 3.09Å; T1329-Q1332 WeakPolarHBondContact O-CA 3.41Å; T1329-Q1332 WeakPolarHBondContact O-CB 3.45Å; T1329-Q1332 PolarHBondContact O-N 2.91Å; A1330-Q1332 VanDerWaalsContact C-N 3.27Å; A1330-Q1332 PolarHBondContact O-N 3.18Å; Q1332-A1335 PolarHBondContact O-N 3.18Å; Q1332-R1336 WeakPolarHBondContact O-CB 3.25Å; Q1332-R1336 PolarHBondContact O-N 3.34Å |
| 1333 | H | 64.7 | Low | 66.5 | Low | 97 Ų | 97 | 87.4 Ų | 87.4 | 45% | 0.449 | 45% | 0.447 | S | S | . | . | H | α-helix | trans | -62.3 | -51.2 | 172.2 | -78 | -106.8 | 0 | 0 | 0 | 110.9 | T1329 A1330 A1335 R1336 N1337 | T1329-H1333 PolarHBondContact O-CD2 3.49Å; T1329-H1333 PolarHBondContact O-N 2.83Å; A1330-H1333 PolarHBondContact O-N 3.22Å; H1333-A1335 PolarHBondContact O-N 3.09Å; H1333-R1336 WeakPolarHBondContact O-CA 3.35Å; H1333-R1336 WeakPolarHBondContact O-CB 3.14Å; H1333-R1336 PolarHBondContact O-N 3.5Å; H1333-N1337 PolarHBondContact O-N 2.87Å; H1333-N1337 PolarHBondContact O-OD1 2.75Å |
| 1334 | V | 61.4 | Low | 66.7 | Low | 102 Ų | 102 | 88.2 Ų | 88.2 | 62% | 0.618 | 46% | 0.456 | S | S | * | . | H | α-helix | trans | -56.2 | -39.4 | 176.1 | 174.7 | 0 | 0 | 0 | 0 | 112.1 | A1330 A1338 | A1330-V1334 WeakPolarHBondContact O-CG2 3.35Å; A1330-V1334 PolarHBondContact O-N 3.49Å; V1334-A1338 WeakPolarHBondContact O-CB 3.41Å; V1334-A1338 PolarHBondContact O-N 2.74Å; V1334-A1338 VanDerWaalsContact O-N 3.16Å |
| 1335 | A | 62.7 | Low | 66.6 | Low | 52 Ų | 52 | 86 Ų | 86 | 43% | 0.43 | 45% | 0.447 | S | S | . | . | H | α-helix | trans | -69.2 | -34.1 | 175.8 | 0 | 0 | 0 | 0 | 0 | 113.5 | N1331 Q1332 H1333 I1339 | N1331-A1335 VanDerWaalsContact O-CB 3.32Å; N1331-A1335 WeakPolarHBondContact O-CB 3.29Å; N1331-A1335 PolarHBondContact O-N 3.02Å; N1331-A1335 VanDerWaalsContact O-N 3.12Å; Q1332-A1335 PolarHBondContact O-N 3.18Å; H1333-A1335 PolarHBondContact O-N 3.09Å; A1335-I1339 WeakPolarHBondContact O-CD1 3.45Å; A1335-I1339 WeakPolarHBondContact O-CG1 3.29Å; A1335-I1339 PolarHBondContact O-N 3.49Å |
| 1336 | R | 69.1 | Low | 66.5 | Low | 149 Ų | 149 | 82.4 Ų | 82.4 | 56% | 0.562 | 44% | 0.436 | S | S | * | . | H | α-helix | trans | -67.2 | -51.5 | 174.5 | 178.6 | -178.6 | 173.7 | -168.7 | -8.9 | 110.8 | Q1332 H1333 A1338 I1339 E1340 | Q1332-R1336 WeakPolarHBondContact O-CB 3.25Å; Q1332-R1336 PolarHBondContact O-N 3.34Å; H1333-R1336 WeakPolarHBondContact O-CA 3.35Å; H1333-R1336 WeakPolarHBondContact O-CB 3.14Å; H1333-R1336 PolarHBondContact O-N 3.5Å; R1336-A1338 PolarHBondContact O-N 2.95Å; R1336-I1339 WeakPolarHBondContact O-CA 3.31Å; R1336-I1339 WeakPolarHBondContact O-CB 3.36Å; R1336-I1339 PolarHBondContact O-N 3.14Å; R1336-E1340 HydrophobicContact CG-CG 4.5Å; R1336-E1340 IonicContact CZ-OE1 3.19Å; R1336-E1340 IonicContact NE-OE1 2.73Å; R1336-E1340 PolarHBondContact NE-OE1 3.38Å; R1336-E1340 IonicContact NE-OE2 3.97Å; R1336-E1340 IonicContact NH2-OE1 2.77Å; R1336-E1340 PolarHBondContact NH2-OE1 2.97Å; R1336-E1340 PolarHBondContact O-N 2.92Å |
| 1337 | N | 65.1 | Low | 66.8 | Low | 71 Ų | 71 | 88.7 Ų | 88.7 | 38% | 0.38 | 46% | 0.455 | S | S | . | . | H | α-helix | trans | -60.4 | -36.5 | -178.6 | -60.1 | 24.7 | 0 | 0 | 0 | 110.6 | H1333 I1339 E1340 E1341 | H1333-N1337 PolarHBondContact O-N 2.87Å; H1333-N1337 PolarHBondContact O-OD1 2.75Å; N1337-I1339 VanDerWaalsContact C-N 3.28Å; N1337-I1339 PolarHBondContact O-N 3.02Å; N1337-E1340 PolarHBondContact O-N 2.92Å; N1337-E1341 WeakPolarHBondContact O-CB 3.15Å; N1337-E1341 PolarHBondContact O-N 3.49Å |
| 1338 | A | 67.5 | Low | 66.7 | Low | 40 Ų | 40 | 87.6 Ų | 87.6 | 33% | 0.331 | 45% | 0.45 | S | S | . | . | H | α-helix | trans | -75.2 | -5.8 | 174.2 | 0 | 0 | 0 | 0 | 0 | 115.4 | V1334 R1336 K1342 | V1334-A1338 WeakPolarHBondContact O-CB 3.41Å; V1334-A1338 PolarHBondContact O-N 2.74Å; V1334-A1338 VanDerWaalsContact O-N 3.16Å; R1336-A1338 PolarHBondContact O-N 2.95Å; A1338-K1342 VanDerWaalsContact O-CD 3.31Å; A1338-K1342 WeakPolarHBondContact O-CD 3.43Å; A1338-K1342 WeakPolarHBondContact O-CE 3.45Å; A1338-K1342 WeakPolarHBondContact O-CG 3.31Å |
| 1339 | I | 72.3 | Confident | 66.6 | Low | 114 Ų | 114 | 88.3 Ų | 88.3 | 59% | 0.585 | 45% | 0.452 | S | S | * | . | H | α-helix | trans | -94.8 | -41.1 | 166.9 | -69.8 | 164.5 | 0 | 0 | 0 | 109.4 | A1335 R1336 N1337 K1342 L1343 | A1335-I1339 WeakPolarHBondContact O-CD1 3.45Å; A1335-I1339 WeakPolarHBondContact O-CG1 3.29Å; A1335-I1339 PolarHBondContact O-N 3.49Å; R1336-I1339 WeakPolarHBondContact O-CA 3.31Å; R1336-I1339 WeakPolarHBondContact O-CB 3.36Å; R1336-I1339 PolarHBondContact O-N 3.14Å; N1337-I1339 VanDerWaalsContact C-N 3.28Å; N1337-I1339 PolarHBondContact O-N 3.02Å; I1339-K1342 WeakPolarHBondContact O-CB 3.32Å; I1339-K1342 PolarHBondContact O-N 3.19Å; I1339-K1342 VanDerWaalsContact O-N 3.15Å; I1339-L1343 PolarHBondContact O-N 3.27Å |
| 1340 | E | 68.6 | Low | 66.1 | Low | 72 Ų | 72 | 90.6 Ų | 90.6 | 34% | 0.336 | 46% | 0.459 | S | S | . | . | H | α-helix | trans | -65.6 | -39.6 | 177.1 | -71.3 | 169.4 | 165.2 | 0 | 0 | 111.5 | R1336 N1337 K1342 L1343 L1344 | R1336-E1340 HydrophobicContact CG-CG 4.5Å; R1336-E1340 IonicContact CZ-OE1 3.19Å; R1336-E1340 IonicContact NE-OE1 2.73Å; R1336-E1340 PolarHBondContact NE-OE1 3.38Å; R1336-E1340 IonicContact NE-OE2 3.97Å; R1336-E1340 IonicContact NH2-OE1 2.77Å; R1336-E1340 PolarHBondContact NH2-OE1 2.97Å; R1336-E1340 PolarHBondContact O-N 2.92Å; N1337-E1340 PolarHBondContact O-N 2.92Å; E1340-K1342 VanDerWaalsContact C-N 3.28Å; E1340-K1342 PolarHBondContact O-N 3.4Å; E1340-L1343 PolarHBondContact O-N 2.92Å; E1340-L1344 WeakPolarHBondContact O-CB 3.35Å; E1340-L1344 WeakPolarHBondContact O-CG 3.39Å; E1340-L1344 PolarHBondContact O-N 3.11Å |
| 1341 | E | 65.3 | Low | 65.8 | Low | 71 Ų | 71 | 95.1 Ų | 95.1 | 33% | 0.332 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -56.1 | -42.2 | 169.7 | -166.6 | -149.2 | 157.3 | 0 | 0 | 111.7 | N1337 L1344 R1345 | N1337-E1341 WeakPolarHBondContact O-CB 3.15Å; N1337-E1341 PolarHBondContact O-N 3.49Å; E1341-L1344 PolarHBondContact O-N 2.87Å; E1341-R1345 WeakPolarHBondContact O-CB 3.45Å; E1341-R1345 WeakPolarHBondContact O-CG 3.41Å; E1341-R1345 PolarHBondContact O-N 3.13Å; E1341-R1345 IonicContact OE1-CZ 2.7Å; E1341-R1345 VanDerWaalsContact OE1-CZ 3.24Å; E1341-R1345 IonicContact OE1-NE 3.14Å; E1341-R1345 PolarHBondContact OE1-NE 3.02Å; E1341-R1345 IonicContact OE1-NH2 3.57Å; E1341-R1345 PolarHBondContact OE1-NH2 2.76Å |
| 1342 | K | 73.7 | Confident | 65.1 | Low | 142 Ų | 142 | 95.8 Ų | 95.8 | 62% | 0.617 | 48% | 0.483 | S | S | * | . | H | α-helix | trans | -70.7 | -36 | 178.4 | -70.9 | 173.3 | -174.2 | 163.2 | 0 | 112.4 | A1338 I1339 E1340 R1345 S1346 | A1338-K1342 VanDerWaalsContact O-CD 3.31Å; A1338-K1342 WeakPolarHBondContact O-CD 3.43Å; A1338-K1342 WeakPolarHBondContact O-CE 3.45Å; A1338-K1342 WeakPolarHBondContact O-CG 3.31Å; I1339-K1342 WeakPolarHBondContact O-CB 3.32Å; I1339-K1342 PolarHBondContact O-N 3.19Å; I1339-K1342 VanDerWaalsContact O-N 3.15Å; E1340-K1342 VanDerWaalsContact C-N 3.28Å; E1340-K1342 PolarHBondContact O-N 3.4Å; K1342-R1345 PolarHBondContact O-N 3.36Å; K1342-S1346 WeakPolarHBondContact O-CB 3.27Å; K1342-S1346 PolarHBondContact O-N 3.33Å |
| 1343 | L | 74.1 | Confident | 64 | Low | 98 Ų | 98 | 96 Ų | 96 | 51% | 0.513 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -66.9 | -41.8 | 175.1 | -178.5 | 62.3 | 0 | 0 | 0 | 111.1 | I1339 E1340 S1346 R1347 | I1339-L1343 PolarHBondContact O-N 3.27Å; E1340-L1343 PolarHBondContact O-N 2.92Å; L1343-S1346 WeakPolarHBondContact O-CB 3.43Å; L1343-S1346 PolarHBondContact O-N 3.11Å; L1343-R1347 PolarHBondContact O-N 2.95Å |
| 1344 | L | 67.8 | Low | 63 | Low | 119 Ų | 119 | 98.3 Ų | 98.3 | 62% | 0.623 | 50% | 0.502 | S | S | * | . | H | α-helix | trans | -62.8 | -46.9 | 173.3 | -70.7 | 170.9 | 0 | 0 | 0 | 111.2 | E1340 E1341 S1346 R1347 L1348 | E1340-L1344 WeakPolarHBondContact O-CB 3.35Å; E1340-L1344 WeakPolarHBondContact O-CG 3.39Å; E1340-L1344 PolarHBondContact O-N 3.11Å; E1341-L1344 PolarHBondContact O-N 2.87Å; L1344-S1346 VanDerWaalsContact C-N 3.31Å; L1344-S1346 PolarHBondContact O-N 3.21Å; L1344-R1347 PolarHBondContact O-N 3.28Å; L1344-L1348 WeakPolarHBondContact O-CB 3.47Å; L1344-L1348 PolarHBondContact O-N 3.26Å |
| 1345 | R | 63.7 | Low | 62 | Low | 88 Ų | 88 | 103.1 Ų | 103.1 | 33% | 0.332 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -60.5 | -37.4 | 173.5 | -72.8 | -178.1 | -172.3 | -82.6 | -0.4 | 112.6 | E1341 K1342 S1349 D1388 | E1341-R1345 WeakPolarHBondContact O-CB 3.45Å; E1341-R1345 WeakPolarHBondContact O-CG 3.41Å; E1341-R1345 PolarHBondContact O-N 3.13Å; E1341-R1345 IonicContact OE1-CZ 2.7Å; E1341-R1345 VanDerWaalsContact OE1-CZ 3.24Å; E1341-R1345 IonicContact OE1-NE 3.14Å; E1341-R1345 PolarHBondContact OE1-NE 3.02Å; E1341-R1345 IonicContact OE1-NH2 3.57Å; E1341-R1345 PolarHBondContact OE1-NH2 2.76Å; K1342-R1345 PolarHBondContact O-N 3.36Å; R1345-S1349 WeakPolarHBondContact O-CB 3.38Å; R1345-S1349 PolarHBondContact O-N 2.8Å; R1345-S1349 VanDerWaalsContact O-N 3.1Å; R1345-S1349 PolarHBondContact O-OG 3Å; R1345-D1388 IonicContact CZ-OD1 3.24Å; R1345-D1388 VanDerWaalsContact CZ-OD1 3.24Å; R1345-D1388 IonicContact NH1-OD1 2.87Å; R1345-D1388 PolarHBondContact NH1-OD1 3.42Å; R1345-D1388 IonicContact NH1-OD2 3.6Å; R1345-D1388 PolarHBondContact NH1-OD2 2.9Å; R1345-D1388 IonicContact NH2-OD1 2.75Å; R1345-D1388 PolarHBondContact NH2-OD1 3.2Å |
| 1346 | S | 69.9 | Low | 60.9 | Low | 49 Ų | 49 | 108.9 Ų | 108.9 | 34% | 0.343 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -61.9 | -54.8 | 174.7 | -156.6 | 0 | 0 | 0 | 0 | 110.4 | K1342 L1343 L1344 L1348 S1349 E1350 | K1342-S1346 WeakPolarHBondContact O-CB 3.27Å; K1342-S1346 PolarHBondContact O-N 3.33Å; L1343-S1346 WeakPolarHBondContact O-CB 3.43Å; L1343-S1346 PolarHBondContact O-N 3.11Å; L1344-S1346 VanDerWaalsContact C-N 3.31Å; L1344-S1346 PolarHBondContact O-N 3.21Å; S1346-L1348 VanDerWaalsContact C-N 3.34Å; S1346-L1348 PolarHBondContact O-N 3Å; S1346-S1349 CarbonylContact O-C 3.12Å; S1346-S1349 WeakPolarHBondContact O-CA 3.46Å; S1346-S1349 PolarHBondContact O-N 3.44Å; S1346-S1349 PolarHBondContact O-OG 2.89Å; S1346-E1350 VanDerWaalsContact C-OE1 3.28Å; S1346-E1350 VanDerWaalsContact CB-OE1 3.3Å; S1346-E1350 WeakPolarHBondContact CB-OE1 3.46Å; S1346-E1350 WeakPolarHBondContact O-CG 3.34Å; S1346-E1350 PolarHBondContact O-N 2.7Å; S1346-E1350 PolarHBondContact OG-OE1 3.31Å |
| 1347 | R | 67.5 | Low | 59.4 | Low | 159 Ų | 159 | 109.8 Ų | 109.8 | 60% | 0.6 | 54% | 0.538 | S | S | * | . | H | α-helix | trans | -61.6 | -38 | 179 | -75.7 | -171.4 | 168.2 | -169 | -3.5 | 113.5 | L1343 L1344 S1349 E1350 L1351 | L1343-R1347 PolarHBondContact O-N 2.95Å; L1344-R1347 PolarHBondContact O-N 3.28Å; R1347-S1349 PolarHBondContact O-N 3.39Å; R1347-E1350 PolarHBondContact O-N 3.45Å; R1347-L1351 WeakPolarHBondContact O-CG 3.21Å; R1347-L1351 PolarHBondContact O-N 3.31Å |
| 1348 | L | 64.3 | Low | 57.9 | Low | 76 Ų | 76 | 115.1 Ų | 115.1 | 40% | 0.398 | 56% | 0.561 | S | S | . | * | H | α-helix | trans | -66.5 | -23.7 | 174.5 | -147.7 | 75.6 | 0 | 0 | 0 | 112.5 | L1344 S1346 | L1344-L1348 WeakPolarHBondContact O-CB 3.47Å; L1344-L1348 PolarHBondContact O-N 3.26Å; S1346-L1348 VanDerWaalsContact C-N 3.34Å; S1346-L1348 PolarHBondContact O-N 3Å |
| 1349 | S | 63.4 | Low | 56.3 | Low | 65 Ų | 65 | 121.9 Ų | 121.9 | 46% | 0.455 | 59% | 0.585 | S | S | . | * | H | α-helix | trans | -89.5 | -25 | 171.7 | 72.4 | 0 | 0 | 0 | 0 | 114.1 | R1345 S1346 R1347 N1352 | R1345-S1349 WeakPolarHBondContact O-CB 3.38Å; R1345-S1349 PolarHBondContact O-N 2.8Å; R1345-S1349 VanDerWaalsContact O-N 3.1Å; R1345-S1349 PolarHBondContact O-OG 3Å; S1346-S1349 CarbonylContact O-C 3.12Å; S1346-S1349 WeakPolarHBondContact O-CA 3.46Å; S1346-S1349 PolarHBondContact O-N 3.44Å; S1346-S1349 PolarHBondContact O-OG 2.89Å; R1347-S1349 PolarHBondContact O-N 3.39Å; S1349-N1352 WeakPolarHBondContact O-CB 3.49Å; S1349-N1352 PolarHBondContact O-N 3.18Å |
| 1350 | E | 56.3 | Low | 54.6 | Low | 96 Ų | 96 | 121 Ų | 121 | 45% | 0.449 | 59% | 0.587 | S | S | . | * | H | α-helix | trans | -72.5 | -39.4 | 173.8 | -71.4 | 151.7 | -144.4 | 0 | 0 | 110.9 | S1346 R1347 N1352 I1353 | S1346-E1350 VanDerWaalsContact C-OE1 3.28Å; S1346-E1350 VanDerWaalsContact CB-OE1 3.3Å; S1346-E1350 WeakPolarHBondContact CB-OE1 3.46Å; S1346-E1350 WeakPolarHBondContact O-CG 3.34Å; S1346-E1350 PolarHBondContact O-N 2.7Å; S1346-E1350 PolarHBondContact OG-OE1 3.31Å; R1347-E1350 PolarHBondContact O-N 3.45Å; E1350-N1352 PolarHBondContact O-N 3.31Å; E1350-I1353 PolarHBondContact O-N 2.98Å; E1350-I1353 VanDerWaalsContact O-N 3.13Å |
| 1351 | L | 53.4 | Low | 53.1 | Low | 120 Ų | 120 | 124.6 Ų | 124.6 | 63% | 0.628 | 60% | 0.603 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -57.9 | -13.7 | 168.9 | -73.8 | 168.4 | 0 | 0 | 0 | 113.9 | R1347 | R1347-L1351 WeakPolarHBondContact O-CG 3.21Å; R1347-L1351 PolarHBondContact O-N 3.31Å |
| 1352 | N | 46.3 | Very low | 51.7 | Low | 110 Ų | 110 | 129.7 Ų | 129.7 | 59% | 0.588 | 63% | 0.627 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -99.3 | 16.7 | -179.4 | -167.3 | 81.5 | 0 | 0 | 0 | 112.7 | S1349 E1350 | S1349-N1352 WeakPolarHBondContact O-CB 3.49Å; S1349-N1352 PolarHBondContact O-N 3.18Å; E1350-N1352 PolarHBondContact O-N 3.31Å |
| 1353 | I | 47.7 | Very low | 49.8 | Very low | 126 Ų | 126 | 129.2 Ų | 129.2 | 65% | 0.646 | 63% | 0.631 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -124 | -40.9 | -177.8 | -60.3 | 178.3 | 0 | 0 | 0 | 113.3 | E1350 Y1355 | E1350-I1353 PolarHBondContact O-N 2.98Å; E1350-I1353 VanDerWaalsContact O-N 3.13Å; I1353-Y1355 PolarHBondContact O-N 3.45Å |
| 1354 | D | 42.8 | Very low | 48.1 | Very low | 145 Ų | 145 | 131.3 Ų | 131.3 | 78% | 0.775 | 64% | 0.643 | S | S | * | * | G | 310 helix | trans | -79.4 | -9.9 | -168.7 | -92.5 | -18.2 | 0 | 0 | 0 | 116.3 | H1356 | D1354-H1356 PolarHBondContact O-N 2.86Š|
| 1355 | Y | 40 | Very low | 46.4 | Very low | 204 Ų | 204 | 131.1 Ų | 131.1 | 80% | 0.8 | 64% | 0.639 | S | S | * | * | G | 310 helix | trans | -94 | 24.1 | -172.3 | -87.1 | -76.5 | 0 | 0 | 0 | 115.8 | I1353 | I1353-Y1355 PolarHBondContact O-N 3.45Š|
| 1356 | H | 39.7 | Very low | 45 | Very low | 172 Ų | 172 | 134.8 Ų | 134.8 | 80% | 0.796 | 66% | 0.664 | S | S | * | * | G | 310 helix | trans | -132.6 | 11.2 | -172.9 | -102.3 | 29.6 | 0 | 0 | 0 | 117 | D1354 | D1354-H1356 PolarHBondContact O-N 2.86Š|
| 1357 | H | 37.2 | Very low | 43.5 | Very low | 168 Ų | 168 | 137.5 Ų | 137.5 | 78% | 0.778 | 68% | 0.678 | S | S | * | * | S | Bend | trans | -133.6 | 145.8 | 165 | -78.7 | 57.4 | 0 | 0 | 0 | 109.6 | | |
| 1358 | H | 35.6 | Very low | 41.7 | Very low | 184 Ų | 184 | 135 Ų | 135 | 85% | 0.852 | 68% | 0.676 | S | S | * | * | | | trans | 78.4 | 71.6 | 180 | -51.7 | -69.2 | 0 | 0 | 0 | 118.4 | | |
| 1359 | H | 33.7 | Very low | 40.3 | Very low | 182 Ų | 182 | 136.8 Ų | 136.8 | 84% | 0.843 | 70% | 0.696 | S | S | * | * | | | trans | -117.7 | 148.9 | 136 | -127.2 | 31.9 | 0 | 0 | 0 | 106.8 | | |
| 1360 | P | 35.4 | Very low | 38.9 | Very low | 96 Ų | 96 | 141.4 Ų | 141.4 | 62% | 0.623 | 70% | 0.703 | S | S | * | * | | | | -143.4 | 179.6 | 59.2 | 41.8 | -24.9 | 0 | 0 | 0 | 116.1 | | |
| 1361 | H | 36.5 | Very low | 37.8 | Very low | 147 Ų | 147 | 141 Ų | 141 | 68% | 0.681 | 70% | 0.704 | S | S | * | * | | | trans | 53.8 | 112.7 | 166.7 | -56.9 | -67.3 | 0 | 0 | 0 | 116.4 | | |
| 1362 | H | 37.5 | Very low | 36.8 | Very low | 177 Ų | 177 | 140.3 Ų | 140.3 | 82% | 0.819 | 71% | 0.709 | S | S | * | * | | | | -155.5 | 164.6 | 58.7 | -94.9 | -84.6 | 0 | 0 | 0 | 113 | | |
| 1363 | D | 33.9 | Very low | 36.3 | Very low | 133 Ų | 133 | 142.7 Ų | 142.7 | 71% | 0.711 | 72% | 0.715 | S | S | * | * | | | trans | -82.1 | 150.3 | -175.4 | -47 | -92.5 | 0 | 0 | 0 | 113.5 | | |
| 1364 | D | 36.6 | Very low | 35.8 | Very low | 142 Ų | 142 | 142.7 Ų | 142.7 | 76% | 0.759 | 72% | 0.716 | S | S | * | * | | | trans | -171.1 | 99.8 | 130.9 | -103.7 | -26.4 | 0 | 0 | 0 | 115 | L1366 | D1364-L1366 PolarHBondContact O-N 3.23Š|
| 1365 | H | 32.8 | Very low | 35.3 | Very low | 115 Ų | 115 | 140.3 Ų | 140.3 | 53% | 0.532 | 71% | 0.711 | S | S | . | * | S | Bend | trans | 57.1 | -12.1 | 135.6 | -84.4 | -79.3 | 0 | 0 | 0 | 125.6 | | |
| 1366 | L | 34.8 | Very low | 35.1 | Very low | 165 Ų | 165 | 136.3 Ų | 136.3 | 86% | 0.864 | 70% | 0.701 | S | S | * | * | S | Bend | trans | -98.7 | -2.6 | -170.9 | -92.7 | 167.5 | 0 | 0 | 0 | 118.7 | D1364 | D1364-L1366 PolarHBondContact O-N 3.23Š|
| 1367 | V | 37.2 | Very low | 34.8 | Very low | 106 Ų | 106 | 136.3 Ų | 136.3 | 64% | 0.642 | 70% | 0.701 | S | S | * | * | | | trans | -115.7 | 22.5 | -172 | -159.2 | 0 | 0 | 0 | 0 | 114 | S1369 | V1367-S1369 VanDerWaalsContact C-N 3.29Å; V1367-S1369 PolarHBondContact O-N 3.09Å; V1367-S1369 VanDerWaalsContact O-N 3.17Å |
| 1368 | N | 31.6 | Very low | 35 | Very low | 105 Ų | 105 | 132.3 Ų | 132.3 | 56% | 0.561 | 68% | 0.684 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -74.3 | -5 | -171 | -79.8 | -27.8 | 0 | 0 | 0 | 116.6 | N1371 | N1368-N1371 PolarHBondContact OD1-ND2 3.32Š|
| 1369 | S | 33.4 | Very low | 35.1 | Very low | 115 Ų | 115 | 128.8 Ų | 128.8 | 80% | 0.804 | 67% | 0.672 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -82.2 | -9.8 | 176.5 | -168.9 | 0 | 0 | 0 | 0 | 114.9 | V1367 | V1367-S1369 VanDerWaalsContact C-N 3.29Å; V1367-S1369 PolarHBondContact O-N 3.09Å; V1367-S1369 VanDerWaalsContact O-N 3.17Å |
| 1370 | W | 35.6 | Very low | 35.4 | Very low | 162 Ų | 162 | 127.3 Ų | 127.3 | 61% | 0.614 | 66% | 0.66 | S | S | * | * | S | Bend | trans | -104.2 | -10.5 | -173.4 | -78.3 | 68.3 | 0 | 0 | 0 | 114.5 | S1372 F1373 | W1370-S1372 PolarHBondContact O-N 2.82Å; W1370-F1373 PolarHBondContact O-N 3.13Å |
| 1371 | N | 32.8 | Very low | 35.7 | Very low | 86 Ų | 86 | 124.7 Ų | 124.7 | 46% | 0.46 | 65% | 0.651 | S | S | . | * | G | 310 helix | trans | -67.7 | -8 | -169.5 | -76.2 | -36.6 | 0 | 0 | 0 | 115.6 | N1368 F1373 N1374 | N1368-N1371 PolarHBondContact OD1-ND2 3.32Å; N1371-F1373 PolarHBondContact O-N 2.95Å; N1371-N1374 PolarHBondContact O-N 3.43Å; N1371-N1374 PolarHBondContact OD1-ND2 3.38Å; N1371-N1374 VanDerWaalsContact OD1-ND2 3.14Å |
| 1372 | S | 32.9 | Very low | 36.6 | Very low | 106 Ų | 106 | 120.1 Ų | 120.1 | 74% | 0.741 | 63% | 0.633 | S | S | * | * | G | 310 helix | trans | -72.2 | -10.1 | 176.4 | -168.1 | 0 | 0 | 0 | 0 | 114.7 | W1370 | W1370-S1372 PolarHBondContact O-N 2.82Š|
| 1373 | F | 35.1 | Very low | 37 | Very low | 160 Ų | 160 | 115.3 Ų | 115.3 | 70% | 0.702 | 61% | 0.613 | S | S | * | * | G | 310 helix | trans | -95.4 | -16.8 | 174.9 | -88.4 | -82.7 | 0 | 0 | 0 | 114.2 | W1370 N1371 S1375 M1376 | W1370-F1373 PolarHBondContact O-N 3.13Å; N1371-F1373 PolarHBondContact O-N 2.95Å; F1373-S1375 PolarHBondContact O-N 3.28Å; F1373-S1375 VanDerWaalsContact O-N 3.13Å; F1373-M1376 PolarHBondContact O-N 2.94Å |
| 1374 | N | 36.6 | Very low | 37.8 | Very low | 127 Ų | 127 | 112 Ų | 112 | 68% | 0.679 | 60% | 0.597 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -76 | 1.4 | -172.6 | -70.3 | -24.2 | 0 | 0 | 0 | 114.6 | N1371 | N1371-N1374 PolarHBondContact O-N 3.43Å; N1371-N1374 PolarHBondContact OD1-ND2 3.38Å; N1371-N1374 VanDerWaalsContact OD1-ND2 3.14Å |
| 1375 | S | 32.2 | Very low | 38.6 | Very low | 95 Ų | 95 | 109.8 Ų | 109.8 | 66% | 0.664 | 59% | 0.586 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -91.9 | -15 | 176.9 | 58.3 | 0 | 0 | 0 | 0 | 114.1 | F1373 | F1373-S1375 PolarHBondContact O-N 3.28Å; F1373-S1375 VanDerWaalsContact O-N 3.13Å |
| 1376 | M | 36.5 | Very low | 39.4 | Very low | 120 Ų | 120 | 110 Ų | 110 | 59% | 0.591 | 58% | 0.582 | S | S | * | * | S | Bend | trans | -91.6 | 105.6 | 174.5 | -167.3 | 171.6 | -165.4 | 0 | 0 | 109.6 | F1373 I1378 | F1373-M1376 PolarHBondContact O-N 2.94Å; M1376-I1378 VanDerWaalsContact O-CG1 3.32Å; M1376-I1378 WeakPolarHBondContact O-CG1 3.37Å; M1376-I1378 PolarHBondContact O-N 3.46Å |
| 1377 | E | 33.9 | Very low | 40.4 | Very low | 172 Ų | 172 | 106.5 Ų | 106.5 | 80% | 0.804 | 56% | 0.56 | S | S | * | * | | | trans | -60.8 | 91.9 | 177.8 | -171 | 176 | -138.6 | 0 | 0 | 110.5 | N1379 | E1377-N1379 VanDerWaalsContact C-N 3.26Å; E1377-N1379 PolarHBondContact O-N 3.43Å |
| 1378 | I | 40.5 | Very low | 41.3 | Very low | 83 Ų | 83 | 103.3 Ų | 103.3 | 43% | 0.426 | 54% | 0.539 | S | S | . | . | | | trans | -73.1 | 84.3 | -179.4 | -49.7 | -175.7 | 0 | 0 | 0 | 108.2 | M1376 Y1380 I1383 | M1376-I1378 VanDerWaalsContact O-CG1 3.32Å; M1376-I1378 WeakPolarHBondContact O-CG1 3.37Å; M1376-I1378 PolarHBondContact O-N 3.46Å; I1378-Y1380 WeakPolarHBondContact O-CD2 3.48Å; I1378-Y1380 VanDerWaalsContact O-CE2 3.3Å; I1378-Y1380 WeakPolarHBondContact O-CE2 3.35Å; I1378-Y1380 PolarHBondContact O-N 3.02Å; I1378-I1383 HydrophobicContact CG2-CD1 4.03Å; I1378-I1383 HydrophobicContact CG2-CG1 4.07Å |
| 1379 | N | 38.7 | Very low | 42.8 | Very low | 111 Ų | 111 | 105.6 Ų | 105.6 | 59% | 0.594 | 54% | 0.54 | S | S | * | . | | | trans | -53.6 | 105.8 | 170.2 | -178.9 | -36.6 | 0 | 0 | 0 | 108.5 | E1377 G1381 T1382 | E1377-N1379 VanDerWaalsContact C-N 3.26Å; E1377-N1379 PolarHBondContact O-N 3.43Å; N1379-G1381 PolarHBondContact O-N 3.28Å; N1379-G1381 VanDerWaalsContact O-N 3.13Å; N1379-G1381 PolarHBondContact OD1-N 3.06Å; N1379-T1382 WeakPolarHBondContact O-CA 3.38Å; N1379-T1382 WeakPolarHBondContact O-CB 3.31Å; N1379-T1382 PolarHBondContact O-N 3.33Å; N1379-T1382 PolarHBondContact O-OG1 3Å |
| 1380 | Y | 38.4 | Very low | 44.1 | Very low | 150 Ų | 150 | 103 Ų | 103 | 59% | 0.588 | 52% | 0.516 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.2 | -23.8 | -163.2 | -65.2 | -83.5 | 0 | 0 | 0 | 113.5 | I1378 T1382 I1383 | I1378-Y1380 WeakPolarHBondContact O-CD2 3.48Å; I1378-Y1380 VanDerWaalsContact O-CE2 3.3Å; I1378-Y1380 WeakPolarHBondContact O-CE2 3.35Å; I1378-Y1380 PolarHBondContact O-N 3.02Å; Y1380-T1382 PolarHBondContact O-N 2.7Å; Y1380-T1382 VanDerWaalsContact O-N 3.1Å; Y1380-I1383 HydrophobicContact CD1-CD1 3.96Å; Y1380-I1383 PolarHBondContact O-N 3.4Å |
| 1381 | G | 42.9 | Very low | 45.4 | Very low | 42 Ų | 42 | 98.6 Ų | 98.6 | 43% | 0.433 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -58.9 | -20.4 | 168.3 | 0 | 0 | 0 | 0 | 0 | 113.6 | N1379 N1385 | N1379-G1381 PolarHBondContact O-N 3.28Å; N1379-G1381 VanDerWaalsContact O-N 3.13Å; N1379-G1381 PolarHBondContact OD1-N 3.06Å; G1381-N1385 PolarHBondContact O-N 3.24Å; G1381-N1385 PolarHBondContact O-ND2 2.9Å |
| 1382 | T | 54 | Low | 46.9 | Very low | 51 Ų | 51 | 98.1 Ų | 98.1 | 31% | 0.313 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -74.1 | -26.8 | 174.8 | -33 | 0 | 0 | 0 | 0 | 112.5 | N1379 Y1380 R1386 | N1379-T1382 WeakPolarHBondContact O-CA 3.38Å; N1379-T1382 WeakPolarHBondContact O-CB 3.31Å; N1379-T1382 PolarHBondContact O-N 3.33Å; N1379-T1382 PolarHBondContact O-OG1 3Å; Y1380-T1382 PolarHBondContact O-N 2.7Å; Y1380-T1382 VanDerWaalsContact O-N 3.1Å; T1382-R1386 HydrophobicContact CG2-CG 4.26Å; T1382-R1386 VanDerWaalsContact O-CB 3.28Å; T1382-R1386 WeakPolarHBondContact O-CB 3.43Å; T1382-R1386 WeakPolarHBondContact O-CG 3.28Å; T1382-R1386 PolarHBondContact O-N 3.24Å |
| 1383 | I | 45.9 | Very low | 48.2 | Very low | 75 Ų | 75 | 95.2 Ų | 95.2 | 39% | 0.385 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -68.9 | -50.6 | -177.5 | -58.4 | 178.8 | 0 | 0 | 0 | 110.2 | I1378 Y1380 N1385 R1386 F1387 | I1378-I1383 HydrophobicContact CG2-CD1 4.03Å; I1378-I1383 HydrophobicContact CG2-CG1 4.07Å; Y1380-I1383 HydrophobicContact CD1-CD1 3.96Å; Y1380-I1383 PolarHBondContact O-N 3.4Å; I1383-N1385 VanDerWaalsContact C-N 3.35Å; I1383-N1385 PolarHBondContact O-N 2.87Å; I1383-R1386 WeakPolarHBondContact O-CB 3.46Å; I1383-R1386 PolarHBondContact O-N 3.48Å; I1383-R1386 VanDerWaalsContact O-N 3.16Å; I1383-F1387 PolarHBondContact O-N 2.75Å |
| 1384 | V | 50.6 | Low | 49.3 | Very low | 63 Ų | 63 | 89.2 Ų | 89.2 | 38% | 0.382 | 45% | 0.453 | S | S | . | . | H | α-helix | trans | -62.4 | -42.5 | 177.2 | -175.2 | 0 | 0 | 0 | 0 | 110.9 | R1386 F1387 D1388 | V1384-R1386 VanDerWaalsContact C-N 3.34Å; V1384-R1386 PolarHBondContact O-N 3.26Å; V1384-F1387 PolarHBondContact O-N 2.9Å; V1384-D1388 PolarHBondContact O-N 3.3Å |
| 1385 | N | 54.3 | Low | 50.5 | Low | 97 Ų | 97 | 86.1 Ų | 86.1 | 52% | 0.519 | 44% | 0.435 | S | S | . | . | H | α-helix | trans | -65.4 | -32.1 | 175.4 | -80.6 | -70.8 | 0 | 0 | 0 | 113.4 | G1381 I1383 R1389 | G1381-N1385 PolarHBondContact O-N 3.24Å; G1381-N1385 PolarHBondContact O-ND2 2.9Å; I1383-N1385 VanDerWaalsContact C-N 3.35Å; I1383-N1385 PolarHBondContact O-N 2.87Å; N1385-R1389 WeakPolarHBondContact O-CB 3.36Å; N1385-R1389 PolarHBondContact O-N 3.29Å |
| 1386 | R | 49.8 | Very low | 51.6 | Low | 119 Ų | 119 | 84.1 Ų | 84.1 | 45% | 0.449 | 43% | 0.425 | S | S | . | . | H | α-helix | trans | -68.4 | -45.2 | 171.6 | -77.6 | 168.7 | -169 | -165.5 | 8.5 | 110.8 | T1382 I1383 V1384 R1389 L1390 | T1382-R1386 HydrophobicContact CG2-CG 4.26Å; T1382-R1386 VanDerWaalsContact O-CB 3.28Å; T1382-R1386 WeakPolarHBondContact O-CB 3.43Å; T1382-R1386 WeakPolarHBondContact O-CG 3.28Å; T1382-R1386 PolarHBondContact O-N 3.24Å; I1383-R1386 WeakPolarHBondContact O-CB 3.46Å; I1383-R1386 PolarHBondContact O-N 3.48Å; I1383-R1386 VanDerWaalsContact O-N 3.16Å; V1384-R1386 VanDerWaalsContact C-N 3.34Å; V1384-R1386 PolarHBondContact O-N 3.26Å; R1386-R1389 PolarHBondContact O-N 3.39Å; R1386-L1390 VanDerWaalsContact O-CB 3.3Å; R1386-L1390 WeakPolarHBondContact O-CB 3.5Å; R1386-L1390 PolarHBondContact O-N 3.41Å |
| 1387 | F | 54.9 | Low | 52.7 | Low | 91 Ų | 91 | 79.9 Ų | 79.9 | 40% | 0.399 | 41% | 0.406 | S | S | . | . | H | α-helix | trans | -61 | -49.1 | 176.5 | -177.9 | -91.9 | 0 | 0 | 0 | 111.7 | I1383 V1384 R1389 L1390 H1391 | I1383-F1387 PolarHBondContact O-N 2.75Å; V1384-F1387 PolarHBondContact O-N 2.9Å; F1387-R1389 VanDerWaalsContact C-N 3.34Å; F1387-R1389 PolarHBondContact O-N 3.17Å; F1387-L1390 PolarHBondContact O-N 3.02Å; F1387-H1391 VanDerWaalsContact O-CB 3.25Å; F1387-H1391 WeakPolarHBondContact O-CB 3.3Å; F1387-H1391 PolarHBondContact O-N 3.5Å |
| 1388 | D | 57.6 | Low | 53.9 | Low | 40 Ų | 40 | 75.6 Ų | 75.6 | 21% | 0.214 | 39% | 0.388 | C | S | . | . | H | α-helix | trans | -64.1 | -37.3 | 177.1 | -79.3 | -37.9 | 0 | 0 | 0 | 111.8 | R1345 V1384 N1392 | R1345-D1388 IonicContact CZ-OD1 3.24Å; R1345-D1388 VanDerWaalsContact CZ-OD1 3.24Å; R1345-D1388 IonicContact NH1-OD1 2.87Å; R1345-D1388 PolarHBondContact NH1-OD1 3.42Å; R1345-D1388 IonicContact NH1-OD2 3.6Å; R1345-D1388 PolarHBondContact NH1-OD2 2.9Å; R1345-D1388 IonicContact NH2-OD1 2.75Å; R1345-D1388 PolarHBondContact NH2-OD1 3.2Å; V1384-D1388 PolarHBondContact O-N 3.3Å; D1388-N1392 WeakPolarHBondContact O-CB 3.38Å; D1388-N1392 PolarHBondContact O-N 2.87Å; D1388-N1392 PolarHBondContact O-ND2 3.18Å |
| 1389 | R | 62.2 | Low | 54.7 | Low | 152 Ų | 152 | 77 Ų | 77 | 57% | 0.574 | 39% | 0.392 | S | S | * | . | H | α-helix | trans | -66.6 | -41.7 | 174.5 | -174.2 | 174.5 | 177.8 | -171.3 | -5.1 | 112.1 | N1385 R1386 F1387 N1393 | N1385-R1389 WeakPolarHBondContact O-CB 3.36Å; N1385-R1389 PolarHBondContact O-N 3.29Å; R1386-R1389 PolarHBondContact O-N 3.39Å; F1387-R1389 VanDerWaalsContact C-N 3.34Å; F1387-R1389 PolarHBondContact O-N 3.17Å; R1389-N1393 WeakPolarHBondContact O-CB 3.5Å; R1389-N1393 VanDerWaalsContact O-CG 3.26Å; R1389-N1393 PolarHBondContact O-N 3.45Å; R1389-N1393 PolarHBondContact O-OD1 3.28Å |
| 1390 | L | 60.7 | Low | 55.8 | Low | 60 Ų | 60 | 74 Ų | 74 | 31% | 0.314 | 38% | 0.376 | S | S | . | . | H | α-helix | trans | -63.5 | -50.5 | 175.9 | -179.2 | 67.2 | 0 | 0 | 0 | 110.9 | R1386 F1387 N1392 N1393 T1394 | R1386-L1390 VanDerWaalsContact O-CB 3.3Å; R1386-L1390 WeakPolarHBondContact O-CB 3.5Å; R1386-L1390 PolarHBondContact O-N 3.41Å; F1387-L1390 PolarHBondContact O-N 3.02Å; L1390-N1392 PolarHBondContact O-N 3Å; L1390-N1393 WeakPolarHBondContact O-CB 3.47Å; L1390-N1393 PolarHBondContact O-N 3.21Å; L1390-N1393 VanDerWaalsContact O-N 3.16Å; L1390-T1394 PolarHBondContact O-N 3.46Å; L1390-T1394 PolarHBondContact O-OG1 3.24Å |
| 1391 | H | 62.1 | Low | 56.8 | Low | 71 Ų | 71 | 69 Ų | 69 | 33% | 0.329 | 36% | 0.359 | S | S | . | . | H | α-helix | trans | -58.6 | -46.2 | 179.3 | -176 | 77.7 | 0 | 0 | 0 | 112 | F1387 T1394 I1395 | F1387-H1391 VanDerWaalsContact O-CB 3.25Å; F1387-H1391 WeakPolarHBondContact O-CB 3.3Å; F1387-H1391 PolarHBondContact O-N 3.5Å; H1391-T1394 PolarHBondContact O-N 2.99Å; H1391-I1395 WeakPolarHBondContact NE2-CD1 3.47Å; H1391-I1395 WeakPolarHBondContact O-CB 3.36Å; H1391-I1395 WeakPolarHBondContact O-CG1 3.33Å; H1391-I1395 PolarHBondContact O-N 2.95Å |
| 1392 | N | 64.7 | Low | 57.5 | Low | 75 Ų | 75 | 69.2 Ų | 69.2 | 40% | 0.401 | 35% | 0.354 | S | S | . | . | H | α-helix | trans | -65.9 | -37.9 | 175.5 | -76.5 | -63 | 0 | 0 | 0 | 112.7 | D1388 L1390 A1396 | D1388-N1392 WeakPolarHBondContact O-CB 3.38Å; D1388-N1392 PolarHBondContact O-N 2.87Å; D1388-N1392 PolarHBondContact O-ND2 3.18Å; L1390-N1392 PolarHBondContact O-N 3Å; N1392-A1396 WeakPolarHBondContact O-CB 3.37Å; N1392-A1396 PolarHBondContact O-N 3.34Å |
| 1393 | N | 60.5 | Low | 57.8 | Low | 45 Ų | 45 | 71.1 Ų | 71.1 | 24% | 0.241 | 36% | 0.359 | C | S | . | . | H | α-helix | trans | -62.3 | -47.9 | 173.6 | -81.9 | 3.1 | 0 | 0 | 0 | 111.5 | R1389 L1390 I1395 A1396 V1397 | R1389-N1393 WeakPolarHBondContact O-CB 3.5Å; R1389-N1393 VanDerWaalsContact O-CG 3.26Å; R1389-N1393 PolarHBondContact O-N 3.45Å; R1389-N1393 PolarHBondContact O-OD1 3.28Å; L1390-N1393 WeakPolarHBondContact O-CB 3.47Å; L1390-N1393 PolarHBondContact O-N 3.21Å; L1390-N1393 VanDerWaalsContact O-N 3.16Å; N1393-I1395 PolarHBondContact O-N 2.95Å; N1393-A1396 WeakPolarHBondContact O-CB 3.25Å; N1393-A1396 PolarHBondContact O-N 2.93Å; N1393-A1396 VanDerWaalsContact O-N 3.16Å; N1393-V1397 WeakPolarHBondContact O-CG2 3.43Å; N1393-V1397 PolarHBondContact O-N 3.43Å |
| 1394 | T | 58.2 | Low | 58.5 | Low | 34 Ų | 34 | 69.7 Ų | 69.7 | 21% | 0.209 | 35% | 0.352 | C | S | . | . | H | α-helix | trans | -62 | -43 | 178.6 | -59.5 | 0 | 0 | 0 | 0 | 111.5 | L1390 H1391 A1396 V1397 I1398 F1610 | L1390-T1394 PolarHBondContact O-N 3.46Å; L1390-T1394 PolarHBondContact O-OG1 3.24Å; H1391-T1394 PolarHBondContact O-N 2.99Å; T1394-A1396 VanDerWaalsContact C-N 3.33Å; T1394-A1396 PolarHBondContact O-N 3.16Å; T1394-V1397 PolarHBondContact O-N 3.13Å; T1394-I1398 HydrophobicContact CG2-CD1 3.97Å; T1394-I1398 WeakPolarHBondContact O-CG1 3.19Å; T1394-I1398 PolarHBondContact O-N 3.44Å; T1394-F1610 HydrophobicContact CG2-CE2 4.39Å; T1394-F1610 HydrophobicContact CG2-CZ 4.12Å |
| 1395 | I | 62.5 | Low | 58.8 | Low | 62 Ų | 62 | 69.3 Ų | 69.3 | 32% | 0.318 | 36% | 0.355 | S | S | . | . | H | α-helix | trans | -60 | -42.6 | 173.4 | -73.3 | 171.6 | 0 | 0 | 0 | 111.3 | H1391 N1393 I1398 Q1399 | H1391-I1395 WeakPolarHBondContact NE2-CD1 3.47Å; H1391-I1395 WeakPolarHBondContact O-CB 3.36Å; H1391-I1395 WeakPolarHBondContact O-CG1 3.33Å; H1391-I1395 PolarHBondContact O-N 2.95Å; N1393-I1395 PolarHBondContact O-N 2.95Å; I1395-I1398 PolarHBondContact O-N 2.98Å; I1395-Q1399 HydrophobicContact CG2-CG 4.41Å; I1395-Q1399 VanDerWaalsContact CG2-NE2 3.28Å; I1395-Q1399 WeakPolarHBondContact O-CB 3.3Å; I1395-Q1399 VanDerWaalsContact O-CG 3.26Å; I1395-Q1399 WeakPolarHBondContact O-CG 3.23Å; I1395-Q1399 PolarHBondContact O-N 3.06Å |
| 1396 | A | 55.5 | Low | 58.8 | Low | 54 Ų | 54 | 71.3 Ų | 71.3 | 45% | 0.446 | 36% | 0.356 | S | S | . | . | H | α-helix | trans | -65.3 | -38.7 | 178 | 0 | 0 | 0 | 0 | 0 | 112.5 | N1392 N1393 T1394 Q1399 L1400 | N1392-A1396 WeakPolarHBondContact O-CB 3.37Å; N1392-A1396 PolarHBondContact O-N 3.34Å; N1393-A1396 WeakPolarHBondContact O-CB 3.25Å; N1393-A1396 PolarHBondContact O-N 2.93Å; N1393-A1396 VanDerWaalsContact O-N 3.16Å; T1394-A1396 VanDerWaalsContact C-N 3.33Å; T1394-A1396 PolarHBondContact O-N 3.16Å; A1396-Q1399 PolarHBondContact O-N 3.23Å; A1396-L1400 WeakPolarHBondContact O-CB 3.15Å; A1396-L1400 PolarHBondContact O-N 2.91Å |
| 1397 | V | 58.5 | Low | 58.9 | Low | 31 Ų | 31 | 71.1 Ų | 71.1 | 19% | 0.188 | 36% | 0.355 | C | S | . | . | H | α-helix | trans | -64.1 | -48.1 | 174.6 | 169.7 | 0 | 0 | 0 | 0 | 110.9 | N1393 T1394 Q1399 L1400 L1401 F1606 | N1393-V1397 WeakPolarHBondContact O-CG2 3.43Å; N1393-V1397 PolarHBondContact O-N 3.43Å; T1394-V1397 PolarHBondContact O-N 3.13Å; V1397-Q1399 VanDerWaalsContact C-N 3.35Å; V1397-Q1399 PolarHBondContact O-N 2.94Å; V1397-L1400 PolarHBondContact O-N 3.01Å; V1397-L1400 VanDerWaalsContact O-N 3.16Å; V1397-L1401 HydrophobicContact CG1-CD1 3.74Å; V1397-L1401 HydrophobicContact CG1-CG 4.46Å; V1397-L1401 WeakPolarHBondContact O-CD1 3.47Å; V1397-L1401 VanDerWaalsContact O-CG 3.31Å; V1397-L1401 WeakPolarHBondContact O-CG 3.45Å; V1397-L1401 PolarHBondContact O-N 3.3Å; V1397-F1606 HydrophobicContact CG1-CE1 4.31Å |
| 1398 | I | 59 | Low | 59.3 | Low | 82 Ų | 82 | 69.7 Ų | 69.7 | 42% | 0.421 | 35% | 0.351 | S | S | . | . | H | α-helix | trans | -59.2 | -45.7 | 176.1 | -67 | 166.4 | 0 | 0 | 0 | 110.5 | T1394 I1395 L1400 L1401 C1402 | T1394-I1398 HydrophobicContact CG2-CD1 3.97Å; T1394-I1398 WeakPolarHBondContact O-CG1 3.19Å; T1394-I1398 PolarHBondContact O-N 3.44Å; I1395-I1398 PolarHBondContact O-N 2.98Å; I1398-L1400 VanDerWaalsContact C-N 3.31Å; I1398-L1400 PolarHBondContact O-N 2.72Å; I1398-L1401 PolarHBondContact O-N 2.94Å; I1398-C1402 PolarHBondContact O-N 2.91Å; I1398-C1402 PolarHBondContact O-SG 2.84Å |
| 1399 | Q | 57.8 | Low | 59 | Low | 113 Ų | 113 | 69.2 Ų | 69.2 | 53% | 0.528 | 35% | 0.352 | S | S | . | . | H | α-helix | trans | -60.9 | -36.6 | 176.8 | -74.6 | 178.1 | 18.8 | 0 | 0 | 113.2 | I1395 A1396 V1397 Q1403 | I1395-Q1399 HydrophobicContact CG2-CG 4.41Å; I1395-Q1399 VanDerWaalsContact CG2-NE2 3.28Å; I1395-Q1399 WeakPolarHBondContact O-CB 3.3Å; I1395-Q1399 VanDerWaalsContact O-CG 3.26Å; I1395-Q1399 WeakPolarHBondContact O-CG 3.23Å; I1395-Q1399 PolarHBondContact O-N 3.06Å; A1396-Q1399 PolarHBondContact O-N 3.23Å; V1397-Q1399 VanDerWaalsContact C-N 3.35Å; V1397-Q1399 PolarHBondContact O-N 2.94Å; Q1399-Q1403 WeakPolarHBondContact O-CG 3.47Å; Q1399-Q1403 PolarHBondContact O-N 3.24Å; Q1399-Q1403 VanDerWaalsContact O-N 3.11Å |
| 1400 | L | 60.8 | Low | 58.7 | Low | 47 Ų | 47 | 66.2 Ų | 66.2 | 25% | 0.246 | 35% | 0.347 | C | S | . | . | H | α-helix | trans | -68.7 | -44.1 | 176 | -173.3 | 68.2 | 0 | 0 | 0 | 111.3 | A1396 V1397 I1398 Q1403 L1404 L1504 C1507 | A1396-L1400 WeakPolarHBondContact O-CB 3.15Å; A1396-L1400 PolarHBondContact O-N 2.91Å; V1397-L1400 PolarHBondContact O-N 3.01Å; V1397-L1400 VanDerWaalsContact O-N 3.16Å; I1398-L1400 VanDerWaalsContact C-N 3.31Å; I1398-L1400 PolarHBondContact O-N 2.72Å; L1400-Q1403 WeakPolarHBondContact O-CB 3.49Å; L1400-Q1403 PolarHBondContact O-N 3.47Å; L1400-Q1403 VanDerWaalsContact O-N 3.13Å; L1400-L1404 PolarHBondContact O-N 2.85Å; L1400-L1504 HydrophobicContact CD2-CD1 4.25Å; L1400-C1507 HydrophobicContact CD2-CB 4.07Å |
| 1401 | L | 61.4 | Low | 58.4 | Low | 46 Ų | 46 | 67.3 Ų | 67.3 | 24% | 0.241 | 35% | 0.353 | C | S | . | . | H | α-helix | trans | -61.2 | -45.7 | 176.5 | -68.9 | 161.6 | 0 | 0 | 0 | 111.4 | V1397 I1398 Q1403 L1404 A1405 L1603 | V1397-L1401 HydrophobicContact CG1-CD1 3.74Å; V1397-L1401 HydrophobicContact CG1-CG 4.46Å; V1397-L1401 WeakPolarHBondContact O-CD1 3.47Å; V1397-L1401 VanDerWaalsContact O-CG 3.31Å; V1397-L1401 WeakPolarHBondContact O-CG 3.45Å; V1397-L1401 PolarHBondContact O-N 3.3Å; I1398-L1401 PolarHBondContact O-N 2.94Å; L1401-Q1403 VanDerWaalsContact C-N 3.27Å; L1401-Q1403 PolarHBondContact O-N 3.02Å; L1401-L1404 PolarHBondContact O-N 2.95Å; L1401-A1405 WeakPolarHBondContact O-CB 3.39Å; L1401-A1405 PolarHBondContact O-N 3.01Å; L1401-L1603 HydrophobicContact CD1-CD2 3.83Å; L1401-L1603 HydrophobicContact CD2-CD2 3.99Å; L1401-L1603 HydrophobicContact CD2-CG 4.34Å; L1401-L1603 HydrophobicContact CG-CD2 4.42Å |
| 1402 | C | 57.1 | Low | 57.8 | Low | 46 Ų | 46 | 66.3 Ų | 66.3 | 31% | 0.311 | 35% | 0.35 | S | S | . | . | H | α-helix | trans | -60.9 | -33.7 | 173.3 | -64 | 0 | 0 | 0 | 0 | 112.9 | I1398 R1406 | I1398-C1402 PolarHBondContact O-N 2.91Å; I1398-C1402 PolarHBondContact O-SG 2.84Å; C1402-R1406 WeakPolarHBondContact O-CB 3.33Å; C1402-R1406 WeakPolarHBondContact O-CD 3.31Å; C1402-R1406 WeakPolarHBondContact O-CG 3.45Å; C1402-R1406 PolarHBondContact O-N 3.48Å |
| 1403 | Q | 59.6 | Low | 57 | Low | 91 Ų | 91 | 64.4 Ų | 64.4 | 43% | 0.425 | 35% | 0.348 | S | S | . | . | H | α-helix | trans | -72.1 | -40.8 | 174.4 | -77.2 | -177.3 | 59.5 | 0 | 0 | 112.1 | Q1399 L1400 L1401 R1406 R1407 | Q1399-Q1403 WeakPolarHBondContact O-CG 3.47Å; Q1399-Q1403 PolarHBondContact O-N 3.24Å; Q1399-Q1403 VanDerWaalsContact O-N 3.11Å; L1400-Q1403 WeakPolarHBondContact O-CB 3.49Å; L1400-Q1403 PolarHBondContact O-N 3.47Å; L1400-Q1403 VanDerWaalsContact O-N 3.13Å; L1401-Q1403 VanDerWaalsContact C-N 3.27Å; L1401-Q1403 PolarHBondContact O-N 3.02Å; Q1403-R1406 PolarHBondContact O-N 2.92Å; Q1403-R1407 WeakPolarHBondContact O-CG 3.49Å; Q1403-R1407 PolarHBondContact O-N 3.37Å |
| 1404 | L | 61.8 | Low | 56.6 | Low | 44 Ų | 44 | 66.2 Ų | 66.2 | 23% | 0.23 | 36% | 0.355 | C | S | . | . | H | α-helix | trans | -62.1 | -49.1 | 176.7 | -173.2 | 66.7 | 0 | 0 | 0 | 110.8 | L1400 L1401 R1406 R1407 L1408 | L1400-L1404 PolarHBondContact O-N 2.85Å; L1401-L1404 PolarHBondContact O-N 2.95Å; L1404-R1406 VanDerWaalsContact C-N 3.34Å; L1404-R1406 PolarHBondContact O-N 3.21Å; L1404-R1407 PolarHBondContact O-N 2.93Å; L1404-R1407 VanDerWaalsContact O-N 3.11Å; L1404-L1408 HydrophobicContact CG-CD1 4.16Å; L1404-L1408 WeakPolarHBondContact O-CG 3.41Å; L1404-L1408 PolarHBondContact O-N 3.05Å |
| 1405 | A | 55.2 | Low | 56.5 | Low | 56 Ų | 56 | 67 Ų | 67 | 46% | 0.463 | 36% | 0.357 | S | S | . | . | H | α-helix | trans | -57.6 | -43.3 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112.4 | L1401 R1407 L1408 A1409 | L1401-A1405 WeakPolarHBondContact O-CB 3.39Å; L1401-A1405 PolarHBondContact O-N 3.01Å; A1405-R1407 PolarHBondContact O-N 3.48Å; A1405-L1408 PolarHBondContact O-N 3.03Å; A1405-A1409 WeakPolarHBondContact O-CB 3.26Å; A1405-A1409 PolarHBondContact O-N 3.44Å |
| 1406 | R | 54.3 | Low | 55.9 | Low | 139 Ų | 139 | 71.5 Ų | 71.5 | 53% | 0.525 | 37% | 0.371 | S | S | . | . | H | α-helix | trans | -62.6 | -40.3 | 174.4 | -74.4 | 171.3 | -170.3 | 169.8 | 8.1 | 112.8 | C1402 Q1403 L1404 I1410 | C1402-R1406 WeakPolarHBondContact O-CB 3.33Å; C1402-R1406 WeakPolarHBondContact O-CD 3.31Å; C1402-R1406 WeakPolarHBondContact O-CG 3.45Å; C1402-R1406 PolarHBondContact O-N 3.48Å; Q1403-R1406 PolarHBondContact O-N 2.92Å; L1404-R1406 VanDerWaalsContact C-N 3.34Å; L1404-R1406 PolarHBondContact O-N 3.21Å; R1406-I1410 WeakPolarHBondContact O-CD1 3.3Å; R1406-I1410 VanDerWaalsContact O-CG1 3.29Å; R1406-I1410 WeakPolarHBondContact O-CG1 3.42Å; R1406-I1410 PolarHBondContact O-N 3.42Å; R1406-I1410 VanDerWaalsContact O-N 3.12Å |
| 1407 | R | 53.4 | Low | 55.2 | Low | 115 Ų | 115 | 72.2 Ų | 72.2 | 43% | 0.434 | 37% | 0.373 | S | S | . | . | H | α-helix | trans | -69.6 | -41.2 | 177.6 | -71 | -175.2 | -166.8 | -150.2 | 12.5 | 111.7 | Q1403 L1404 A1405 I1410 L1411 | Q1403-R1407 WeakPolarHBondContact O-CG 3.49Å; Q1403-R1407 PolarHBondContact O-N 3.37Å; L1404-R1407 PolarHBondContact O-N 2.93Å; L1404-R1407 VanDerWaalsContact O-N 3.11Å; A1405-R1407 PolarHBondContact O-N 3.48Å; R1407-I1410 PolarHBondContact O-N 2.93Å; R1407-L1411 PolarHBondContact O-N 3.46Å |
| 1408 | L | 62.1 | Low | 54.5 | Low | 61 Ų | 61 | 75.5 Ų | 75.5 | 32% | 0.319 | 39% | 0.389 | S | S | . | . | H | α-helix | trans | -59.5 | -46.8 | 174 | -72.2 | 170.6 | 0 | 0 | 0 | 111.3 | L1404 A1405 I1410 L1411 D1412 | L1404-L1408 HydrophobicContact CG-CD1 4.16Å; L1404-L1408 WeakPolarHBondContact O-CG 3.41Å; L1404-L1408 PolarHBondContact O-N 3.05Å; A1405-L1408 PolarHBondContact O-N 3.03Å; L1408-I1410 VanDerWaalsContact C-N 3.3Å; L1408-I1410 PolarHBondContact O-N 3.35Å; L1408-L1411 CarbonylContact O-C 3.45Å; L1408-L1411 WeakPolarHBondContact O-CA 3.3Å; L1408-L1411 WeakPolarHBondContact O-CB 3.41Å; L1408-L1411 PolarHBondContact O-N 2.78Å; L1408-L1411 VanDerWaalsContact O-N 3.1Å; L1408-D1412 PolarHBondContact O-N 3.42Å |
| 1409 | A | 52.6 | Low | 53.9 | Low | 29 Ų | 29 | 74 Ų | 74 | 24% | 0.24 | 38% | 0.381 | C | S | . | . | H | α-helix | trans | -66.9 | -27.1 | 177.6 | 0 | 0 | 0 | 0 | 0 | 114.1 | W1105 A1405 G1413 | W1105-A1409 HydrophobicContact CH2-CB 4Å; W1105-A1409 HydrophobicContact CZ2-CB 3.57Å; A1405-A1409 WeakPolarHBondContact O-CB 3.26Å; A1405-A1409 PolarHBondContact O-N 3.44Å; A1409-G1413 PolarHBondContact O-N 3.1Å |
| 1410 | I | 54.1 | Low | 53.4 | Low | 89 Ų | 89 | 73.1 Ų | 73.1 | 46% | 0.456 | 38% | 0.376 | S | S | . | . | H | α-helix | trans | -71.5 | -42.6 | 170.1 | -70.8 | 165.1 | 0 | 0 | 0 | 110.3 | R1406 R1407 L1408 G1413 Q1414 | R1406-I1410 WeakPolarHBondContact O-CD1 3.3Å; R1406-I1410 VanDerWaalsContact O-CG1 3.29Å; R1406-I1410 WeakPolarHBondContact O-CG1 3.42Å; R1406-I1410 PolarHBondContact O-N 3.42Å; R1406-I1410 VanDerWaalsContact O-N 3.12Å; R1407-I1410 PolarHBondContact O-N 2.93Å; L1408-I1410 VanDerWaalsContact C-N 3.3Å; L1408-I1410 PolarHBondContact O-N 3.35Å; I1410-G1413 PolarHBondContact O-N 3Å; I1410-Q1414 WeakPolarHBondContact O-CB 3.42Å; I1410-Q1414 WeakPolarHBondContact O-CG 3.11Å; I1410-Q1414 PolarHBondContact O-N 3.39Å |
| 1411 | L | 54.9 | Low | 52.5 | Low | 84 Ų | 84 | 75.1 Ų | 75.1 | 44% | 0.44 | 39% | 0.387 | S | S | . | . | H | α-helix | trans | -59.6 | -45 | 173 | -95.4 | 159.8 | 0 | 0 | 0 | 111.5 | R1407 L1408 G1413 Q1414 L1415 | R1407-L1411 PolarHBondContact O-N 3.46Å; L1408-L1411 CarbonylContact O-C 3.45Å; L1408-L1411 WeakPolarHBondContact O-CA 3.3Å; L1408-L1411 WeakPolarHBondContact O-CB 3.41Å; L1408-L1411 PolarHBondContact O-N 2.78Å; L1408-L1411 VanDerWaalsContact O-N 3.1Å; L1411-G1413 PolarHBondContact O-N 3.24Å; L1411-Q1414 PolarHBondContact O-N 3.07Å; L1411-L1415 WeakPolarHBondContact O-CB 3.43Å; L1411-L1415 PolarHBondContact O-N 2.86Å |
| 1412 | D | 50 | Low | 51.7 | Low | 49 Ų | 49 | 76.3 Ų | 76.3 | 26% | 0.262 | 39% | 0.391 | S | S | . | . | H | α-helix | trans | -58.7 | -46.5 | 173.2 | -74.9 | -49.7 | 0 | 0 | 0 | 112.4 | L1408 Q1414 L1415 Y1416 R1596 | L1408-D1412 PolarHBondContact O-N 3.42Å; D1412-Q1414 VanDerWaalsContact C-N 3.3Å; D1412-Q1414 PolarHBondContact O-N 3.37Å; D1412-L1415 PolarHBondContact O-N 3Å; D1412-Y1416 VanDerWaalsContact O-CB 3.25Å; D1412-Y1416 WeakPolarHBondContact O-CB 3.13Å; D1412-Y1416 PolarHBondContact O-N 3.31Å; D1412-R1596 IonicContact OD1-CZ 3.24Å; D1412-R1596 IonicContact OD1-NH1 2.82Å; D1412-R1596 PolarHBondContact OD1-NH1 2.81Å; D1412-R1596 IonicContact OD1-NH2 3.59Å; D1412-R1596 PolarHBondContact OD1-NH2 2.89Å; D1412-R1596 IonicContact OD2-CZ 3.29Å; D1412-R1596 IonicContact OD2-NH1 2.74Å; D1412-R1596 PolarHBondContact OD2-NH1 2.93Å; D1412-R1596 IonicContact OD2-NH2 3Å |
| 1413 | G | 48 | Very low | 50.7 | Low | 35 Ų | 35 | 80.2 Ų | 80.2 | 36% | 0.361 | 40% | 0.4 | S | S | . | . | H | α-helix | trans | -61.8 | -38.6 | 176.8 | 0 | 0 | 0 | 0 | 0 | 112.3 | A1409 I1410 L1411 C1417 | A1409-G1413 PolarHBondContact O-N 3.1Å; I1410-G1413 PolarHBondContact O-N 3Å; L1411-G1413 PolarHBondContact O-N 3.24Å; G1413-C1417 WeakPolarHBondContact O-CB 3.19Å; G1413-C1417 PolarHBondContact O-N 2.93Å; G1413-C1417 VanDerWaalsContact O-N 3.08Å; G1413-C1417 PolarHBondContact O-SG 3.38Å |
| 1414 | Q | 52 | Low | 49.6 | Very low | 83 Ų | 83 | 80 Ų | 80 | 39% | 0.388 | 40% | 0.402 | S | S | . | . | H | α-helix | trans | -69.7 | -44.3 | 174.7 | -73.7 | 177 | -4.9 | 0 | 0 | 111.9 | I1410 L1411 D1412 C1417 L1418 | I1410-Q1414 WeakPolarHBondContact O-CB 3.42Å; I1410-Q1414 WeakPolarHBondContact O-CG 3.11Å; I1410-Q1414 PolarHBondContact O-N 3.39Å; L1411-Q1414 PolarHBondContact O-N 3.07Å; D1412-Q1414 VanDerWaalsContact C-N 3.3Å; D1412-Q1414 PolarHBondContact O-N 3.37Å; Q1414-C1417 PolarHBondContact O-N 2.78Å; Q1414-L1418 WeakPolarHBondContact O-CB 3.33Å; Q1414-L1418 VanDerWaalsContact O-CG 3.28Å; Q1414-L1418 WeakPolarHBondContact O-CG 3.48Å; Q1414-L1418 PolarHBondContact O-N 2.82Å |
| 1415 | L | 55.8 | Low | 48.5 | Very low | 50 Ų | 50 | 82 Ų | 82 | 26% | 0.262 | 41% | 0.413 | S | S | . | . | H | α-helix | trans | -65 | -40.9 | 178.9 | -153.4 | 78.8 | 0 | 0 | 0 | 111.4 | L1411 D1412 L1418 N1419 I1588 T1592 | L1411-L1415 WeakPolarHBondContact O-CB 3.43Å; L1411-L1415 PolarHBondContact O-N 2.86Å; D1412-L1415 PolarHBondContact O-N 3Å; L1415-L1418 PolarHBondContact O-N 3.45Å; L1415-N1419 WeakPolarHBondContact O-CB 3.37Å; L1415-N1419 PolarHBondContact O-N 3.48Å; L1415-I1588 HydrophobicContact CD1-CG2 4.4Å; L1415-I1588 HydrophobicContact CD2-CG2 4.31Å; L1415-T1592 HydrophobicContact CD2-CG2 4.3Å |
| 1416 | Y | 50.5 | Low | 47.5 | Very low | 157 Ų | 157 | 82.7 Ų | 82.7 | 62% | 0.616 | 41% | 0.409 | S | S | * | . | H | α-helix | trans | -63.7 | -41 | 173.4 | -178.5 | -95.8 | 0 | 0 | 0 | 112.1 | D1412 K1420 | D1412-Y1416 VanDerWaalsContact O-CB 3.25Å; D1412-Y1416 WeakPolarHBondContact O-CB 3.13Å; D1412-Y1416 PolarHBondContact O-N 3.31Å; Y1416-K1420 HydrophobicContact CE1-CD 4.33Å; Y1416-K1420 VanDerWaalsContact O-CB 3.23Å; Y1416-K1420 WeakPolarHBondContact O-CB 3.41Å; Y1416-K1420 PolarHBondContact O-N 2.87Å |
| 1417 | C | 39.4 | Very low | 46.7 | Very low | 70 Ų | 70 | 80.5 Ų | 80.5 | 47% | 0.473 | 41% | 0.411 | S | S | . | . | H | α-helix | trans | -69.1 | -38 | 174.5 | -68.2 | 0 | 0 | 0 | 0 | 112.5 | G1413 Q1414 K1420 N1421 | G1413-C1417 WeakPolarHBondContact O-CB 3.19Å; G1413-C1417 PolarHBondContact O-N 2.93Å; G1413-C1417 VanDerWaalsContact O-N 3.08Å; G1413-C1417 PolarHBondContact O-SG 3.38Å; Q1414-C1417 PolarHBondContact O-N 2.78Å; C1417-K1420 PolarHBondContact O-N 2.78Å; C1417-N1421 WeakPolarHBondContact O-CB 3.33Å; C1417-N1421 PolarHBondContact O-N 3.31Å; C1417-N1421 PolarHBondContact O-OD1 3.34Å |
| 1418 | L | 44.7 | Very low | 45.9 | Very low | 100 Ų | 100 | 80.6 Ų | 80.6 | 52% | 0.524 | 42% | 0.419 | S | S | . | . | H | α-helix | trans | -64.9 | -49 | 176.3 | -76.8 | 165 | 0 | 0 | 0 | 111.2 | Q1414 L1415 K1420 N1421 Q1422 | Q1414-L1418 WeakPolarHBondContact O-CB 3.33Å; Q1414-L1418 VanDerWaalsContact O-CG 3.28Å; Q1414-L1418 WeakPolarHBondContact O-CG 3.48Å; Q1414-L1418 PolarHBondContact O-N 2.82Å; L1415-L1418 PolarHBondContact O-N 3.45Å; L1418-K1420 VanDerWaalsContact C-N 3.35Å; L1418-K1420 PolarHBondContact O-N 3.04Å; L1418-N1421 PolarHBondContact O-N 2.95Å; L1418-Q1422 PolarHBondContact O-N 2.99Å |
| 1419 | N | 45.9 | Very low | 44.6 | Very low | 49 Ų | 49 | 82.9 Ų | 82.9 | 26% | 0.262 | 43% | 0.43 | S | S | . | . | H | α-helix | trans | -59.7 | -45.1 | 173.4 | -79.3 | 14.6 | 0 | 0 | 0 | 110.9 | L1415 N1421 Q1422 Y1423 | L1415-N1419 WeakPolarHBondContact O-CB 3.37Å; L1415-N1419 PolarHBondContact O-N 3.48Å; N1419-N1421 VanDerWaalsContact C-N 3.3Å; N1419-N1421 PolarHBondContact O-N 2.8Å; N1419-Q1422 PolarHBondContact O-N 3.17Å; N1419-Y1423 WeakPolarHBondContact O-CB 3.44Å; N1419-Y1423 WeakPolarHBondContact O-CD2 3.41Å; N1419-Y1423 PolarHBondContact O-N 3.16Å |
| 1420 | K | 47.4 | Very low | 43.6 | Very low | 95 Ų | 95 | 87.6 Ų | 87.6 | 41% | 0.413 | 45% | 0.451 | S | S | . | . | H | α-helix | trans | -66 | -31.9 | 180 | -169 | 170.7 | -175.7 | 176.4 | 0 | 113.2 | Y1416 C1417 L1418 N1424 | Y1416-K1420 HydrophobicContact CE1-CD 4.33Å; Y1416-K1420 VanDerWaalsContact O-CB 3.23Å; Y1416-K1420 WeakPolarHBondContact O-CB 3.41Å; Y1416-K1420 PolarHBondContact O-N 2.87Å; C1417-K1420 PolarHBondContact O-N 2.78Å; L1418-K1420 VanDerWaalsContact C-N 3.35Å; L1418-K1420 PolarHBondContact O-N 3.04Å; K1420-N1424 PolarHBondContact O-N 3Å |
| 1421 | N | 43.2 | Very low | 42.5 | Very low | 89 Ų | 89 | 88.2 Ų | 88.2 | 48% | 0.476 | 46% | 0.462 | S | S | . | . | H | α-helix | trans | -73 | -48.2 | 173.1 | -71.3 | 3.8 | 0 | 0 | 0 | 110.8 | C1417 L1418 N1419 Y1423 N1424 D1425 | C1417-N1421 WeakPolarHBondContact O-CB 3.33Å; C1417-N1421 PolarHBondContact O-N 3.31Å; C1417-N1421 PolarHBondContact O-OD1 3.34Å; L1418-N1421 PolarHBondContact O-N 2.95Å; N1419-N1421 VanDerWaalsContact C-N 3.3Å; N1419-N1421 PolarHBondContact O-N 2.8Å; N1421-Y1423 VanDerWaalsContact C-N 3.28Å; N1421-Y1423 PolarHBondContact O-N 3.34Å; N1421-N1424 CarbonylContact O-C 3.5Å; N1421-N1424 WeakPolarHBondContact O-CA 3.23Å; N1421-N1424 WeakPolarHBondContact O-CB 3.36Å; N1421-N1424 PolarHBondContact O-N 2.84Å; N1421-D1425 VanDerWaalsContact O-CG 3.25Å; N1421-D1425 PolarHBondContact O-N 3.19Å |
| 1422 | Q | 44.6 | Very low | 41.2 | Very low | 72 Ų | 72 | 90.6 Ų | 90.6 | 34% | 0.336 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -61 | -32.9 | 174.5 | -79.4 | -172.2 | -34.5 | 0 | 0 | 113.3 | L1418 N1419 N1424 N1426 | L1418-Q1422 PolarHBondContact O-N 2.99Å; N1419-Q1422 PolarHBondContact O-N 3.17Å; Q1422-N1424 VanDerWaalsContact C-N 3.27Å; Q1422-N1424 PolarHBondContact O-N 3.49Å; Q1422-N1426 WeakPolarHBondContact O-CA 3.41Å; Q1422-N1426 WeakPolarHBondContact O-CB 3.17Å; Q1422-N1426 PolarHBondContact O-N 3.01Å; Q1422-N1426 PolarHBondContact O-ND2 3.5Å |
| 1423 | Y | 35.5 | Very low | 40.2 | Very low | 127 Ų | 127 | 93 Ų | 93 | 50% | 0.498 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -71.6 | -16.6 | 171.7 | -94.1 | -91.2 | 0 | 0 | 0 | 113.9 | N1419 N1421 V1427 F1582 | N1419-Y1423 WeakPolarHBondContact O-CB 3.44Å; N1419-Y1423 WeakPolarHBondContact O-CD2 3.41Å; N1419-Y1423 PolarHBondContact O-N 3.16Å; N1421-Y1423 VanDerWaalsContact C-N 3.28Å; N1421-Y1423 PolarHBondContact O-N 3.34Å; Y1423-V1427 WeakPolarHBondContact O-CB 3.4Å; Y1423-V1427 WeakPolarHBondContact O-CG2 3.38Å; Y1423-F1582 WeakPolarHBondContact OH-CE1 3.28Å |
| 1424 | N | 37.3 | Very low | 39.3 | Very low | 88 Ų | 88 | 98.4 Ų | 98.4 | 47% | 0.471 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -87.1 | -52.5 | 166.7 | -73.5 | -14.6 | 0 | 0 | 0 | 110.1 | K1420 N1421 Q1422 N1426 V1427 I1428 | K1420-N1424 PolarHBondContact O-N 3Å; N1421-N1424 CarbonylContact O-C 3.5Å; N1421-N1424 WeakPolarHBondContact O-CA 3.23Å; N1421-N1424 WeakPolarHBondContact O-CB 3.36Å; N1421-N1424 PolarHBondContact O-N 2.84Å; Q1422-N1424 VanDerWaalsContact C-N 3.27Å; Q1422-N1424 PolarHBondContact O-N 3.49Å; N1424-N1426 PolarHBondContact O-N 2.67Å; N1424-V1427 PolarHBondContact O-N 3.23Å; N1424-I1428 WeakPolarHBondContact O-CB 3.28Å; N1424-I1428 VanDerWaalsContact O-CG1 3.26Å; N1424-I1428 WeakPolarHBondContact O-CG1 3.37Å; N1424-I1428 PolarHBondContact O-N 3.09Å |
| 1425 | D | 37.7 | Very low | 38.3 | Very low | 86 Ų | 86 | 101.7 Ų | 101.7 | 46% | 0.46 | 54% | 0.537 | S | S | . | . | H | α-helix | trans | -64.9 | -42.8 | -173 | -58.6 | -30.1 | 0 | 0 | 0 | 111.3 | N1421 V1427 I1428 L1429 | N1421-D1425 VanDerWaalsContact O-CG 3.25Å; N1421-D1425 PolarHBondContact O-N 3.19Å; D1425-V1427 PolarHBondContact O-N 3.38Å; D1425-I1428 PolarHBondContact O-N 3.29Å; D1425-L1429 WeakPolarHBondContact O-CB 3.08Å; D1425-L1429 WeakPolarHBondContact O-CG 3.31Å; D1425-L1429 PolarHBondContact O-N 3.13Å |
| 1426 | N | 33.7 | Very low | 37.1 | Very low | 70 Ų | 70 | 106.8 Ų | 106.8 | 37% | 0.374 | 57% | 0.565 | S | S | . | * | H | α-helix | trans | -70.5 | -30.7 | 175.9 | -62.2 | -9.1 | 0 | 0 | 0 | 112.4 | Q1422 N1424 L1429 L1430 | Q1422-N1426 WeakPolarHBondContact O-CA 3.41Å; Q1422-N1426 WeakPolarHBondContact O-CB 3.17Å; Q1422-N1426 PolarHBondContact O-N 3.01Å; Q1422-N1426 PolarHBondContact O-ND2 3.5Å; N1424-N1426 PolarHBondContact O-N 2.67Å; N1426-L1429 PolarHBondContact O-N 3.48Å; N1426-L1430 WeakPolarHBondContact O-CB 3.41Å; N1426-L1430 PolarHBondContact O-N 2.95Å |
| 1427 | V | 37.3 | Very low | 36.1 | Very low | 93 Ų | 93 | 105.1 Ų | 105.1 | 56% | 0.564 | 57% | 0.573 | S | S | * | * | H | α-helix | trans | -76.9 | -25.3 | 175.2 | 171.3 | 0 | 0 | 0 | 0 | 111.6 | Y1423 N1424 D1425 C1431 | Y1423-V1427 WeakPolarHBondContact O-CB 3.4Å; Y1423-V1427 WeakPolarHBondContact O-CG2 3.38Å; N1424-V1427 PolarHBondContact O-N 3.23Å; D1425-V1427 PolarHBondContact O-N 3.38Å; V1427-C1431 PolarHBondContact O-SG 2.91Å |
| 1428 | I | 36.9 | Very low | 35.6 | Very low | 117 Ų | 117 | 110.3 Ų | 110.3 | 60% | 0.6 | 60% | 0.595 | S | S | * | * | H | α-helix | trans | -76.5 | -35 | 169.8 | -70.4 | 164.8 | 0 | 0 | 0 | 110.7 | N1424 D1425 | N1424-I1428 WeakPolarHBondContact O-CB 3.28Å; N1424-I1428 VanDerWaalsContact O-CG1 3.26Å; N1424-I1428 WeakPolarHBondContact O-CG1 3.37Å; N1424-I1428 PolarHBondContact O-N 3.09Å; D1425-I1428 PolarHBondContact O-N 3.29Å |
| 1429 | L | 34.3 | Very low | 34.8 | Very low | 108 Ų | 108 | 113.2 Ų | 113.2 | 57% | 0.565 | 61% | 0.61 | S | S | * | * | H | α-helix | trans | -78.7 | -36.7 | 179.1 | -75.9 | 164.5 | 0 | 0 | 0 | 114.2 | D1425 N1426 C1431 N1432 | D1425-L1429 WeakPolarHBondContact O-CB 3.08Å; D1425-L1429 WeakPolarHBondContact O-CG 3.31Å; D1425-L1429 PolarHBondContact O-N 3.13Å; N1426-L1429 PolarHBondContact O-N 3.48Å; L1429-C1431 PolarHBondContact O-N 3.16Å; L1429-N1432 PolarHBondContact O-N 3.44Å |
| 1430 | L | 32.9 | Very low | 34.1 | Very low | 128 Ų | 128 | 116 Ų | 116 | 67% | 0.67 | 63% | 0.631 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -70.2 | -10.5 | -176.9 | -122.1 | 72.2 | 0 | 0 | 0 | 114.9 | N1426 L1578 | N1426-L1430 WeakPolarHBondContact O-CB 3.41Å; N1426-L1430 PolarHBondContact O-N 2.95Å; L1430-L1578 HydrophobicContact CD1-CD1 4.39Å |
| 1431 | C | 29.9 | Very low | 33 | Very low | 103 Ų | 103 | 119.9 Ų | 119.9 | 70% | 0.696 | 64% | 0.644 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -86.7 | -8.5 | 178.9 | -68.3 | 0 | 0 | 0 | 0 | 113.8 | V1427 L1429 S1433 | V1427-C1431 PolarHBondContact O-SG 2.91Å; L1429-C1431 PolarHBondContact O-N 3.16Å; C1431-S1433 PolarHBondContact O-N 3.48Å |
| 1432 | N | 28.8 | Very low | 32.2 | Very low | 134 Ų | 134 | 119.8 Ų | 119.8 | 72% | 0.717 | 64% | 0.644 | S | S | * | * | | | trans | -93.6 | 73.4 | -179.9 | -77.9 | -18 | 0 | 0 | 0 | 111.6 | L1429 | L1429-N1432 PolarHBondContact O-N 3.44Š|
| 1433 | S | 28.6 | Very low | 31.5 | Very low | 99 Ų | 99 | 119.1 Ų | 119.1 | 69% | 0.692 | 64% | 0.64 | S | S | * | * | S | Bend | trans | -154.1 | 108.3 | 168.6 | -78.1 | 0 | 0 | 0 | 0 | 111.8 | C1431 | C1431-S1433 PolarHBondContact O-N 3.48Š|
| 1434 | N | 28.9 | Very low | 31.2 | Very low | 148 Ų | 148 | 121.9 Ų | 121.9 | 79% | 0.791 | 65% | 0.651 | S | S | * | * | S | Bend | trans | 58.2 | 75.1 | 164.2 | -52.3 | -23.8 | 0 | 0 | 0 | 116.9 | | |
| 1435 | N | 30.8 | Very low | 30.7 | Very low | 152 Ų | 152 | 123 Ų | 123 | 81% | 0.813 | 66% | 0.661 | S | S | * | * | S | Bend | | 169.3 | 137.6 | 113.9 | -79.5 | -22.7 | 0 | 0 | 0 | 111.7 | | |
| 1436 | D | 31.2 | Very low | 30.4 | Very low | 158 Ų | 158 | 125.2 Ų | 125.2 | 85% | 0.845 | 68% | 0.678 | S | S | * | * | | | trans | 55.4 | 129.9 | 171.8 | -61 | -38.3 | 0 | 0 | 0 | 119.6 | | |
| 1437 | P | 29.4 | Very low | 30.3 | Very low | 122 Ų | 122 | 126.9 Ų | 126.9 | 79% | 0.792 | 70% | 0.695 | S | S | * | * | | | trans | -94.3 | 150.9 | -174.1 | 36.8 | -35.3 | 0 | 0 | 0 | 113.8 | | |
| 1438 | L | 29.2 | Very low | 29.9 | Very low | 179 Ų | 179 | 129.7 Ų | 129.7 | 94% | 0.937 | 71% | 0.706 | S | S | * | * | | | trans | -156.2 | 151.8 | 148.7 | -111.5 | 168.2 | 0 | 0 | 0 | 111.8 | | |
| 1439 | L | 28 | Very low | 29.7 | Very low | 161 Ų | 161 | 129.5 Ų | 129.5 | 84% | 0.843 | 71% | 0.711 | S | S | * | * | | | trans | -89.7 | 162.8 | -166.1 | -80.6 | 165.3 | 0 | 0 | 0 | 114.2 | | |
| 1440 | P | 30.6 | Very low | 29.5 | Very low | 106 Ų | 106 | 130.6 Ų | 130.6 | 69% | 0.688 | 72% | 0.717 | S | S | * | * | | | trans | -88 | -163.2 | -177.7 | 38.4 | -38.9 | 0 | 0 | 0 | 113.5 | | |
| 1441 | Y | 25.3 | Very low | 29.5 | Very low | 178 Ų | 178 | 130.7 Ų | 130.7 | 70% | 0.698 | 72% | 0.718 | S | S | * | * | | | trans | 88.2 | 110.6 | 160.9 | -106 | -118.1 | 0 | 0 | 0 | 120.3 | | |
| 1442 | N | 25.8 | Very low | 29.6 | Very low | 87 Ų | 87 | 131.6 Ų | 131.6 | 47% | 0.465 | 72% | 0.721 | S | S | . | * | | | trans | 63.4 | 167.1 | 139.7 | -70.6 | -7.2 | 0 | 0 | 0 | 123.2 | T1161 | T1161-N1442 WeakPolarHBondContact CA-O 3.48Å; T1161-N1442 PolarHBondContact N-O 3.48Å |
| 1443 | H | 28.7 | Very low | 29.5 | Very low | 57 Ų | 57 | 131 Ų | 131 | 26% | 0.264 | 72% | 0.724 | S | S | . | * | | | trans | 103.9 | 171.9 | 140.3 | -63.1 | -67.9 | 0 | 0 | 0 | 121.5 | T1161 T1162 | T1161-H1443 VanDerWaalsContact C-CB 3.48Å; T1162-H1443 VanDerWaalsContact N-CB 3.29Å |
| 1444 | Y | 29.1 | Very low | 29.7 | Very low | 186 Ų | 186 | 135.3 Ų | 135.3 | 73% | 0.729 | 73% | 0.73 | S | S | * | * | | | trans | -87.8 | 135.4 | -160.8 | -68.5 | -116.2 | 0 | 0 | 0 | 113.7 | T1161 | T1161-Y1444 CarbonylContact O-C 3.55Š|
| 1445 | T | 28 | Very low | 29.7 | Very low | 110 Ų | 110 | 134.4 Ų | 134.4 | 68% | 0.675 | 73% | 0.73 | S | S | * | * | | | trans | -70.5 | 148.5 | 146.2 | 57.9 | 0 | 0 | 0 | 0 | 109.3 | | |
| 1446 | T | 30.4 | Very low | 29.7 | Very low | 133 Ų | 133 | 134.5 Ų | 134.5 | 82% | 0.816 | 73% | 0.73 | S | S | * | * | | | cis | -149.2 | 169 | 39.9 | 44.8 | 0 | 0 | 0 | 0 | 114.8 | | |
| 1447 | S | 31.5 | Very low | 29.4 | Very low | 105 Ų | 105 | 131.3 Ų | 131.3 | 73% | 0.734 | 72% | 0.72 | S | S | * | * | | | trans | 89.6 | 95.3 | 167.7 | -159.1 | 0 | 0 | 0 | 0 | 116 | | |
| 1448 | L | 30.6 | Very low | 29.3 | Very low | 153 Ų | 153 | 132.2 Ų | 132.2 | 80% | 0.801 | 72% | 0.718 | S | S | * | * | | | | 58.3 | 126.9 | 87.4 | -97.4 | 70.7 | 0 | 0 | 0 | 112.9 | | |
| 1449 | T | 32.3 | Very low | 29.5 | Very low | 113 Ų | 113 | 132 Ų | 132 | 69% | 0.693 | 71% | 0.711 | S | S | * | * | | | cis | -151.3 | 156.4 | 40.1 | 35.1 | 0 | 0 | 0 | 0 | 116 | | |
| 1450 | N | 30.6 | Very low | 29.7 | Very low | 130 Ų | 130 | 130.2 Ų | 130.2 | 70% | 0.695 | 70% | 0.702 | S | S | * | * | | | trans | 77 | 132.3 | 141.4 | -78.6 | 43.3 | 0 | 0 | 0 | 124.8 | | |
| 1451 | D | 32 | Very low | 29.6 | Very low | 130 Ų | 130 | 133 Ų | 133 | 70% | 0.695 | 71% | 0.71 | S | S | * | * | | | trans | 82 | 94.3 | 137.5 | -53.4 | -20.4 | 0 | 0 | 0 | 123.7 | | |
| 1452 | T | 32.3 | Very low | 29.8 | Very low | 122 Ų | 122 | 131.1 Ų | 131.1 | 75% | 0.748 | 71% | 0.713 | S | S | * | * | | | trans | 73.3 | 114.4 | 135.1 | -35.6 | 0 | 0 | 0 | 0 | 121 | | |
| 1453 | P | 26.4 | Very low | 30.3 | Very low | 122 Ų | 122 | 133.9 Ų | 133.9 | 79% | 0.792 | 73% | 0.727 | S | S | * | * | | | trans | -95.3 | 139.9 | 170.3 | 35.8 | -31.8 | 0 | 0 | 0 | 113.9 | | |
| 1454 | K | 32.4 | Very low | 30.5 | Very low | 189 Ų | 189 | 140.3 Ų | 140.3 | 82% | 0.822 | 76% | 0.755 | S | S | * | * | | | trans | -147.1 | 113.5 | 163.2 | -87.5 | -172.3 | 177.2 | 175.3 | 0 | 112.9 | | |
| 1455 | T | 28.7 | Very low | 30.8 | Very low | 129 Ų | 129 | 138.9 Ų | 138.9 | 79% | 0.791 | 76% | 0.76 | S | S | * | * | | | | 37.2 | 148.9 | 129.4 | -23.3 | 0 | 0 | 0 | 0 | 122 | | |
| 1456 | I | 30.5 | Very low | 31.3 | Very low | 155 Ų | 155 | 140.1 Ų | 140.1 | 80% | 0.795 | 76% | 0.762 | S | S | * | * | | | trans | 85.2 | 112.5 | 168.5 | -51.5 | 166.9 | 0 | 0 | 0 | 112.3 | | |
| 1457 | S | 26.7 | Very low | 31.6 | Very low | 91 Ų | 91 | 141.8 Ų | 141.8 | 64% | 0.636 | 76% | 0.758 | S | S | * | * | | | cis | 88.2 | 124.9 | 31.3 | -168.8 | 0 | 0 | 0 | 0 | 115 | | |
| 1458 | N | 27.3 | Very low | 32.1 | Very low | 140 Ų | 140 | 143.5 Ų | 143.5 | 75% | 0.749 | 76% | 0.759 | S | S | * | * | | | trans | 62.5 | 75.3 | 159.2 | -58.6 | -4.4 | 0 | 0 | 0 | 118.8 | | |
| 1459 | H | 31.9 | Very low | 32.3 | Very low | 175 Ų | 175 | 143.2 Ų | 143.2 | 81% | 0.81 | 76% | 0.758 | S | S | * | * | | | trans | -114.8 | 115.6 | 133 | -88.9 | -110.8 | 0 | 0 | 0 | 106.7 | | |
| 1460 | L | 32 | Very low | 32.6 | Very low | 124 Ų | 124 | 145.2 Ų | 145.2 | 65% | 0.649 | 77% | 0.765 | S | S | * | * | | | | 58.5 | 96.2 | 84.6 | -64 | 167 | 0 | 0 | 0 | 109 | | |
| 1461 | L | 29.9 | Very low | 33.3 | Very low | 163 Ų | 163 | 145.7 Ų | 145.7 | 85% | 0.853 | 77% | 0.767 | S | S | * | * | | | cis | 57.2 | 55.2 | 34.1 | -156.1 | 127.3 | 0 | 0 | 0 | 112.6 | | |
| 1462 | N | 29.9 | Very low | 33.8 | Very low | 140 Ų | 140 | 146.5 Ų | 146.5 | 75% | 0.749 | 77% | 0.772 | S | S | * | * | | | trans | -161.4 | 111.3 | 150.3 | -89.8 | -40.6 | 0 | 0 | 0 | 105.9 | | |
| 1463 | D | 35.2 | Very low | 34.4 | Very low | 145 Ų | 145 | 146.3 Ų | 146.3 | 78% | 0.775 | 77% | 0.766 | S | S | * | * | | | trans | 146.2 | 119.2 | 168.4 | -85 | 7.3 | 0 | 0 | 0 | 108.2 | | |
| 1464 | F | 33.2 | Very low | 35.2 | Very low | 192 Ų | 192 | 149.3 Ų | 149.3 | 84% | 0.842 | 76% | 0.762 | S | S | * | * | | | cis | -147.2 | 157.3 | -23.3 | -111.1 | -73.2 | 0 | 0 | 0 | 107.5 | D1466 | F1464-D1466 PolarHBondContact O-N 2.98Š|
| 1465 | N | 34.4 | Very low | 35.8 | Very low | 156 Ų | 156 | 146.6 Ų | 146.6 | 83% | 0.834 | 76% | 0.756 | S | S | * | * | | | trans | -78.9 | 118.1 | 178.1 | -72.5 | -50.9 | 0 | 0 | 0 | 112.3 | | |
| 1466 | D | 38.7 | Very low | 36.5 | Very low | 135 Ų | 135 | 142.4 Ų | 142.4 | 72% | 0.722 | 73% | 0.732 | S | S | * | * | | | trans | -170 | 119 | 136.1 | -95.8 | -32.4 | 0 | 0 | 0 | 107 | F1464 | F1464-D1466 PolarHBondContact O-N 2.98Š|
| 1467 | K | 38.3 | Very low | 37.3 | Very low | 169 Ų | 169 | 140.7 Ų | 140.7 | 74% | 0.735 | 72% | 0.721 | S | S | * | * | | | | 65.1 | 123.6 | 86.8 | -71.3 | -168.4 | -177.9 | 172.9 | 0 | 114.1 | | |
| 1468 | D | 41.1 | Very low | 38.1 | Very low | 140 Ų | 140 | 139.3 Ų | 139.3 | 75% | 0.749 | 71% | 0.71 | S | S | * | * | | | cis | -142.1 | 168.9 | -0.4 | -88.4 | -50.1 | 0 | 0 | 0 | 110.7 | | |
| 1469 | N | 34.4 | Very low | 39.6 | Very low | 148 Ų | 148 | 138.4 Ų | 138.4 | 79% | 0.791 | 70% | 0.702 | S | S | * | * | | | trans | -70.4 | 141.6 | -171.4 | -55.2 | -57.6 | 0 | 0 | 0 | 114.1 | | |
| 1470 | D | 39.3 | Very low | 41.2 | Very low | 155 Ų | 155 | 134.8 Ų | 134.8 | 83% | 0.829 | 69% | 0.688 | S | S | * | * | | | trans | -163.1 | 18.2 | 161.4 | -121.9 | -6.9 | 0 | 0 | 0 | 116.1 | | |
| 1471 | N | 45 | Very low | 43.1 | Very low | 139 Ų | 139 | 132.2 Ų | 132.2 | 74% | 0.743 | 68% | 0.68 | S | S | * | * | S | Bend | trans | -119 | -13.1 | -167.8 | -89.4 | -50.2 | 0 | 0 | 0 | 118.4 | | |
| 1472 | D | 42.8 | Very low | 45 | Very low | 148 Ų | 148 | 129.5 Ų | 129.5 | 79% | 0.791 | 66% | 0.663 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -79.5 | -18.8 | -176.7 | -69.1 | -40.1 | 0 | 0 | 0 | 114.1 | W1474 | D1472-W1474 VanDerWaalsContact C-N 3.28Å; D1472-W1474 PolarHBondContact O-N 3.16Å |
| 1473 | D | 43.6 | Very low | 46.9 | Very low | 117 Ų | 117 | 126.6 Ų | 126.6 | 63% | 0.626 | 65% | 0.647 | S | S | * | * | H | α-helix | trans | -76.1 | -10.1 | -172.4 | -126.7 | 8.9 | 0 | 0 | 0 | 114.1 | S1476 Q1477 | D1473-S1476 WeakPolarHBondContact CA-OG 3.32Å; D1473-S1476 PolarHBondContact O-OG 3.43Å; D1473-S1476 PolarHBondContact OD1-OG 3Å; D1473-Q1477 WeakPolarHBondContact O-CB 3.39Å; D1473-Q1477 PolarHBondContact O-N 3.25Å |
| 1474 | W | 43.9 | Very low | 48.8 | Very low | 186 Ų | 186 | 122.8 Ų | 122.8 | 71% | 0.705 | 63% | 0.626 | S | S | * | * | H | α-helix | trans | -72.4 | -30.4 | 178.7 | -82.6 | 82.1 | 0 | 0 | 0 | 113.4 | D1472 C1478 | D1472-W1474 VanDerWaalsContact C-N 3.28Å; D1472-W1474 PolarHBondContact O-N 3.16Å; W1474-C1478 WeakPolarHBondContact O-CB 3.45Å; W1474-C1478 PolarHBondContact O-N 2.79Å |
| 1475 | N | 44.3 | Very low | 50.7 | Low | 131 Ų | 131 | 117.9 Ų | 117.9 | 70% | 0.701 | 61% | 0.606 | S | S | * | * | H | α-helix | trans | -75.5 | -45.9 | 174.2 | -95.3 | -13.3 | 0 | 0 | 0 | 111.3 | Q1477 C1478 E1479 | N1475-Q1477 VanDerWaalsContact C-N 3.27Å; N1475-Q1477 PolarHBondContact O-N 2.94Å; N1475-C1478 WeakPolarHBondContact O-CB 3.49Å; N1475-C1478 PolarHBondContact O-N 2.98Å; N1475-E1479 PolarHBondContact O-N 2.97Å |
| 1476 | S | 44.6 | Very low | 52.5 | Low | 42 Ų | 42 | 116 Ų | 116 | 29% | 0.294 | 59% | 0.592 | S | S | . | * | H | α-helix | trans | -59.2 | -39.4 | 177.3 | 70.4 | 0 | 0 | 0 | 0 | 111.3 | D1473 E1479 L1480 | D1473-S1476 WeakPolarHBondContact CA-OG 3.32Å; D1473-S1476 PolarHBondContact O-OG 3.43Å; D1473-S1476 PolarHBondContact OD1-OG 3Å; S1476-E1479 PolarHBondContact O-N 3.41Å; S1476-L1480 VanDerWaalsContact O-CB 3.23Å; S1476-L1480 WeakPolarHBondContact O-CB 3.46Å; S1476-L1480 PolarHBondContact O-N 2.87Å |
| 1477 | Q | 47.7 | Very low | 54.1 | Low | 118 Ų | 118 | 114.6 Ų | 114.6 | 55% | 0.551 | 58% | 0.581 | S | S | * | * | H | α-helix | trans | -71 | -28.6 | 176.8 | -167.6 | 169.7 | 63.3 | 0 | 0 | 113 | D1473 N1475 S1481 | D1473-Q1477 WeakPolarHBondContact O-CB 3.39Å; D1473-Q1477 PolarHBondContact O-N 3.25Å; N1475-Q1477 VanDerWaalsContact C-N 3.27Å; N1475-Q1477 PolarHBondContact O-N 2.94Å; Q1477-S1481 VanDerWaalsContact O-CB 3.26Å; Q1477-S1481 WeakPolarHBondContact O-CB 3.49Å; Q1477-S1481 PolarHBondContact O-N 2.88Å; Q1477-S1481 PolarHBondContact O-OG 2.75Å |
| 1478 | C | 43 | Very low | 56.1 | Low | 62 Ų | 62 | 112.6 Ų | 112.6 | 42% | 0.419 | 57% | 0.572 | S | S | . | * | H | α-helix | trans | -69.7 | -48.4 | 172.1 | -172 | 0 | 0 | 0 | 0 | 111.6 | W1474 N1475 S1481 Q1482 | W1474-C1478 WeakPolarHBondContact O-CB 3.45Å; W1474-C1478 PolarHBondContact O-N 2.79Å; N1475-C1478 WeakPolarHBondContact O-CB 3.49Å; N1475-C1478 PolarHBondContact O-N 2.98Å; C1478-S1481 WeakPolarHBondContact O-CB 3.48Å; C1478-S1481 PolarHBondContact O-N 3.12Å; C1478-Q1482 WeakPolarHBondContact O-CG 3.49Å; C1478-Q1482 PolarHBondContact O-N 2.97Å |
| 1479 | E | 57.5 | Low | 57.6 | Low | 122 Ų | 122 | 112.7 Ų | 112.7 | 57% | 0.57 | 56% | 0.562 | S | S | * | * | H | α-helix | trans | -62 | -46.7 | 176 | -68.9 | -175 | 159.8 | 0 | 0 | 111.6 | N1475 S1476 S1481 Q1482 I1483 | N1475-E1479 PolarHBondContact O-N 2.97Å; S1476-E1479 PolarHBondContact O-N 3.41Å; E1479-S1481 VanDerWaalsContact C-N 3.26Å; E1479-S1481 PolarHBondContact O-N 2.77Å; E1479-Q1482 WeakPolarHBondContact O-CB 3.41Å; E1479-Q1482 PolarHBondContact O-N 3.16Å; E1479-Q1482 VanDerWaalsContact O-N 3.09Å; E1479-I1483 WeakPolarHBondContact O-CG1 3.4Å; E1479-I1483 PolarHBondContact O-N 2.94Å |
| 1480 | L | 66.1 | Low | 59.6 | Low | 98 Ų | 98 | 110.5 Ų | 110.5 | 51% | 0.513 | 55% | 0.55 | S | S | . | . | H | α-helix | trans | -59.6 | -38 | 175.8 | -175.9 | 64.1 | 0 | 0 | 0 | 111.7 | S1476 I1483 I1484 | S1476-L1480 VanDerWaalsContact O-CB 3.23Å; S1476-L1480 WeakPolarHBondContact O-CB 3.46Å; S1476-L1480 PolarHBondContact O-N 2.87Å; L1480-I1483 PolarHBondContact O-N 3.36Å; L1480-I1484 HydrophobicContact CD1-CD1 4.21Å; L1480-I1484 HydrophobicContact CD1-CG1 4.5Å; L1480-I1484 HydrophobicContact CG-CD1 3.94Å; L1480-I1484 WeakPolarHBondContact O-CB 3.33Å; L1480-I1484 WeakPolarHBondContact O-CD1 3.45Å; L1480-I1484 WeakPolarHBondContact O-CG1 3.43Å; L1480-I1484 PolarHBondContact O-N 2.95Å |
| 1481 | S | 71.7 | Confident | 61.2 | Low | 70 Ų | 70 | 107.3 Ų | 107.3 | 49% | 0.49 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -65 | -41.4 | 174.8 | -65.2 | 0 | 0 | 0 | 0 | 112.1 | Q1477 C1478 E1479 I1484 E1485 | Q1477-S1481 VanDerWaalsContact O-CB 3.26Å; Q1477-S1481 WeakPolarHBondContact O-CB 3.49Å; Q1477-S1481 PolarHBondContact O-N 2.88Å; Q1477-S1481 PolarHBondContact O-OG 2.75Å; C1478-S1481 WeakPolarHBondContact O-CB 3.48Å; C1478-S1481 PolarHBondContact O-N 3.12Å; E1479-S1481 VanDerWaalsContact C-N 3.26Å; E1479-S1481 PolarHBondContact O-N 2.77Å; S1481-I1484 PolarHBondContact O-N 3.01Å; S1481-E1485 WeakPolarHBondContact O-CB 3.03Å; S1481-E1485 PolarHBondContact O-N 3.43Å |
| 1482 | Q | 69.4 | Low | 62.6 | Low | 106 Ų | 106 | 105.2 Ų | 105.2 | 50% | 0.495 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -65.7 | -43.9 | 175.1 | -70 | 179.5 | 65.8 | 0 | 0 | 112 | C1478 E1479 I1484 E1485 Q1486 | C1478-Q1482 WeakPolarHBondContact O-CG 3.49Å; C1478-Q1482 PolarHBondContact O-N 2.97Å; E1479-Q1482 WeakPolarHBondContact O-CB 3.41Å; E1479-Q1482 PolarHBondContact O-N 3.16Å; E1479-Q1482 VanDerWaalsContact O-N 3.09Å; Q1482-I1484 VanDerWaalsContact C-N 3.34Å; Q1482-I1484 PolarHBondContact O-N 2.97Å; Q1482-E1485 WeakPolarHBondContact O-CB 3.48Å; Q1482-E1485 PolarHBondContact O-N 3.21Å; Q1482-E1485 VanDerWaalsContact O-N 3.12Å; Q1482-Q1486 WeakPolarHBondContact O-CG 3.5Å; Q1482-Q1486 PolarHBondContact O-N 2.57Å |
| 1483 | I | 71.5 | Confident | 63.8 | Low | 80 Ų | 80 | 101.7 Ų | 101.7 | 41% | 0.41 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -61.4 | -43 | 176 | -68 | 164.7 | 0 | 0 | 0 | 110.6 | E1479 L1480 E1485 Q1486 Q1487 | E1479-I1483 WeakPolarHBondContact O-CG1 3.4Å; E1479-I1483 PolarHBondContact O-N 2.94Å; L1480-I1483 PolarHBondContact O-N 3.36Å; I1483-E1485 VanDerWaalsContact C-N 3.32Å; I1483-E1485 PolarHBondContact O-N 3.42Å; I1483-Q1486 PolarHBondContact O-N 3.29Å; I1483-Q1487 WeakPolarHBondContact O-CB 3.34Å; I1483-Q1487 WeakPolarHBondContact O-CG 3.11Å; I1483-Q1487 PolarHBondContact O-N 3.39Å |
| 1484 | I | 74.3 | Confident | 65.1 | Low | 64 Ų | 64 | 100.2 Ų | 100.2 | 33% | 0.328 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -64.4 | -35.1 | 174.7 | -72.4 | 168.3 | 0 | 0 | 0 | 111.5 | L1480 S1481 Q1482 K1488 | L1480-I1484 HydrophobicContact CD1-CD1 4.21Å; L1480-I1484 HydrophobicContact CD1-CG1 4.5Å; L1480-I1484 HydrophobicContact CG-CD1 3.94Å; L1480-I1484 WeakPolarHBondContact O-CB 3.33Å; L1480-I1484 WeakPolarHBondContact O-CD1 3.45Å; L1480-I1484 WeakPolarHBondContact O-CG1 3.43Å; L1480-I1484 PolarHBondContact O-N 2.95Å; S1481-I1484 PolarHBondContact O-N 3.01Å; Q1482-I1484 VanDerWaalsContact C-N 3.34Å; Q1482-I1484 PolarHBondContact O-N 2.97Å; I1484-K1488 HydrophobicContact CG2-CD 4.13Å; I1484-K1488 VanDerWaalsContact CG2-CE 3.5Å; I1484-K1488 WeakPolarHBondContact O-CB 3.2Å; I1484-K1488 WeakPolarHBondContact O-CD 3.35Å; I1484-K1488 WeakPolarHBondContact O-CG 3.49Å; I1484-K1488 PolarHBondContact O-N 3.03Å |
| 1485 | E | 74 | Confident | 66.5 | Low | 90 Ų | 90 | 97.8 Ų | 97.8 | 42% | 0.421 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -68.5 | -43.2 | 174.6 | -134 | -108.4 | 115.8 | 0 | 0 | 111.6 | S1481 Q1482 I1483 K1488 R1489 | S1481-E1485 WeakPolarHBondContact O-CB 3.03Å; S1481-E1485 PolarHBondContact O-N 3.43Å; Q1482-E1485 WeakPolarHBondContact O-CB 3.48Å; Q1482-E1485 PolarHBondContact O-N 3.21Å; Q1482-E1485 VanDerWaalsContact O-N 3.12Å; I1483-E1485 VanDerWaalsContact C-N 3.32Å; I1483-E1485 PolarHBondContact O-N 3.42Å; E1485-K1488 PolarHBondContact O-N 2.9Å; E1485-R1489 VanDerWaalsContact CD-NH2 3.25Å; E1485-R1489 WeakPolarHBondContact O-CG 3.34Å; E1485-R1489 PolarHBondContact O-N 3.43Å; E1485-R1489 IonicContact OE1-CZ 3.39Å; E1485-R1489 VanDerWaalsContact OE1-CZ 3.29Å; E1485-R1489 IonicContact OE1-NE 2.72Å; E1485-R1489 PolarHBondContact OE1-NE 3.44Å; E1485-R1489 IonicContact OE1-NH2 2.75Å; E1485-R1489 PolarHBondContact OE1-NH2 2.98Å; E1485-R1489 IonicContact OE2-CZ 2.7Å; E1485-R1489 IonicContact OE2-NE 3.65Å; E1485-R1489 PolarHBondContact OE2-NE 3.18Å; E1485-R1489 IonicContact OE2-NH2 3.48Å; E1485-R1489 PolarHBondContact OE2-NH2 2.91Å |
| 1486 | Q | 72.2 | Confident | 67.4 | Low | 117 Ų | 117 | 96.7 Ų | 96.7 | 55% | 0.547 | 47% | 0.474 | S | S | . | . | H | α-helix | trans | -61.7 | -46.3 | 173.9 | -69.6 | 177 | 15.3 | 0 | 0 | 111.7 | Q1482 I1483 K1488 R1489 L1490 | Q1482-Q1486 WeakPolarHBondContact O-CG 3.5Å; Q1482-Q1486 PolarHBondContact O-N 2.57Å; I1483-Q1486 PolarHBondContact O-N 3.29Å; Q1486-K1488 PolarHBondContact O-N 3.37Å; Q1486-R1489 PolarHBondContact O-N 3.49Å; Q1486-L1490 PolarHBondContact O-N 3.03Å |
| 1487 | Q | 72.4 | Confident | 68 | Low | 105 Ų | 105 | 97.4 Ų | 97.4 | 49% | 0.491 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -59.7 | -42.9 | 174.6 | -74.5 | 178.4 | 0.9 | 0 | 0 | 111.9 | I1483 R1489 L1490 I1491 | I1483-Q1487 WeakPolarHBondContact O-CB 3.34Å; I1483-Q1487 WeakPolarHBondContact O-CG 3.11Å; I1483-Q1487 PolarHBondContact O-N 3.39Å; Q1487-R1489 PolarHBondContact O-N 2.99Å; Q1487-L1490 PolarHBondContact O-N 3.25Å; Q1487-I1491 WeakPolarHBondContact O-CB 3.33Å; Q1487-I1491 WeakPolarHBondContact O-CD1 3.49Å; Q1487-I1491 VanDerWaalsContact O-CG1 3.25Å; Q1487-I1491 WeakPolarHBondContact O-CG1 3.4Å; Q1487-I1491 PolarHBondContact O-N 3.29Å |
| 1488 | K | 78.6 | Confident | 68.6 | Low | 127 Ų | 127 | 97.8 Ų | 97.8 | 55% | 0.552 | 49% | 0.485 | S | S | * | . | H | α-helix | trans | -60.1 | -44.6 | 174.5 | -76.4 | 164.8 | -177.2 | 169 | 0 | 111.7 | I1484 E1485 Q1486 I1491 I1492 | I1484-K1488 HydrophobicContact CG2-CD 4.13Å; I1484-K1488 VanDerWaalsContact CG2-CE 3.5Å; I1484-K1488 WeakPolarHBondContact O-CB 3.2Å; I1484-K1488 WeakPolarHBondContact O-CD 3.35Å; I1484-K1488 WeakPolarHBondContact O-CG 3.49Å; I1484-K1488 PolarHBondContact O-N 3.03Å; E1485-K1488 PolarHBondContact O-N 2.9Å; Q1486-K1488 PolarHBondContact O-N 3.37Å; K1488-I1491 PolarHBondContact O-N 3.08Å; K1488-I1492 VanDerWaalsContact O-CG1 3.32Å; K1488-I1492 WeakPolarHBondContact O-CG1 3.07Å; K1488-I1492 PolarHBondContact O-N 3.35Å |
| 1489 | R | 72.6 | Confident | 70 | Confident | 141 Ų | 141 | 100 Ų | 100 | 53% | 0.532 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -61.6 | -44.5 | 176 | -70.2 | 174.7 | -174.1 | -153 | 10.1 | 111.8 | E1485 Q1486 Q1487 I1491 I1492 Q1493 | E1485-R1489 VanDerWaalsContact CD-NH2 3.25Å; E1485-R1489 WeakPolarHBondContact O-CG 3.34Å; E1485-R1489 PolarHBondContact O-N 3.43Å; E1485-R1489 IonicContact OE1-CZ 3.39Å; E1485-R1489 VanDerWaalsContact OE1-CZ 3.29Å; E1485-R1489 IonicContact OE1-NE 2.72Å; E1485-R1489 PolarHBondContact OE1-NE 3.44Å; E1485-R1489 IonicContact OE1-NH2 2.75Å; E1485-R1489 PolarHBondContact OE1-NH2 2.98Å; E1485-R1489 IonicContact OE2-CZ 2.7Å; E1485-R1489 IonicContact OE2-NE 3.65Å; E1485-R1489 PolarHBondContact OE2-NE 3.18Å; E1485-R1489 IonicContact OE2-NH2 3.48Å; E1485-R1489 PolarHBondContact OE2-NH2 2.91Å; Q1486-R1489 PolarHBondContact O-N 3.49Å; Q1487-R1489 PolarHBondContact O-N 2.99Å; R1489-I1491 PolarHBondContact O-N 3.27Å; R1489-I1492 PolarHBondContact O-N 2.69Å; R1489-Q1493 WeakPolarHBondContact O-CG 3.48Å; R1489-Q1493 PolarHBondContact O-N 3.36Å |
| 1490 | L | 76.2 | Confident | 70.2 | Confident | 102 Ų | 102 | 96 Ų | 96 | 53% | 0.534 | 48% | 0.475 | S | S | . | . | H | α-helix | trans | -62 | -43.8 | 177.4 | -155.2 | 84.8 | 0 | 0 | 0 | 111.8 | Q1486 Q1487 I1492 Q1493 I1494 | Q1486-L1490 PolarHBondContact O-N 3.03Å; Q1487-L1490 PolarHBondContact O-N 3.25Å; L1490-I1492 VanDerWaalsContact C-N 3.3Å; L1490-I1492 PolarHBondContact O-N 3.27Å; L1490-Q1493 PolarHBondContact O-N 2.74Å; L1490-I1494 HydrophobicContact CD2-CD1 4.32Å; L1490-I1494 HydrophobicContact CG-CD1 4.29Å; L1490-I1494 VanDerWaalsContact O-CG1 3.3Å; L1490-I1494 WeakPolarHBondContact O-CG1 3.49Å; L1490-I1494 PolarHBondContact O-N 3.26Å |
| 1491 | I | 73.3 | Confident | 70 | Confident | 89 Ų | 89 | 99.2 Ų | 99.2 | 46% | 0.456 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -63.4 | -34.6 | 176.9 | -70.4 | 164.9 | 0 | 0 | 0 | 111.8 | Q1487 K1488 R1489 K1495 | Q1487-I1491 WeakPolarHBondContact O-CB 3.33Å; Q1487-I1491 WeakPolarHBondContact O-CD1 3.49Å; Q1487-I1491 VanDerWaalsContact O-CG1 3.25Å; Q1487-I1491 WeakPolarHBondContact O-CG1 3.4Å; Q1487-I1491 PolarHBondContact O-N 3.29Å; K1488-I1491 PolarHBondContact O-N 3.08Å; R1489-I1491 PolarHBondContact O-N 3.27Å; I1491-K1495 HydrophobicContact CG2-CD 4.42Å; I1491-K1495 WeakPolarHBondContact O-CG 3.27Å; I1491-K1495 PolarHBondContact O-N 3.4Å |
| 1492 | I | 75.8 | Confident | 69.7 | Low | 95 Ų | 95 | 98.3 Ų | 98.3 | 49% | 0.487 | 48% | 0.477 | S | S | . | . | H | α-helix | trans | -67.2 | -49.2 | 173.5 | -68.8 | 163.3 | 0 | 0 | 0 | 110.1 | K1488 R1489 L1490 I1494 K1495 E1496 | K1488-I1492 VanDerWaalsContact O-CG1 3.32Å; K1488-I1492 WeakPolarHBondContact O-CG1 3.07Å; K1488-I1492 PolarHBondContact O-N 3.35Å; R1489-I1492 PolarHBondContact O-N 2.69Å; L1490-I1492 VanDerWaalsContact C-N 3.3Å; L1490-I1492 PolarHBondContact O-N 3.27Å; I1492-I1494 VanDerWaalsContact C-N 3.33Å; I1492-I1494 PolarHBondContact O-N 2.91Å; I1492-K1495 PolarHBondContact O-N 3.38Å; I1492-K1495 VanDerWaalsContact O-N 3.09Å; I1492-E1496 PolarHBondContact O-N 3.2Å |
| 1493 | Q | 68.1 | Low | 69.6 | Low | 74 Ų | 74 | 97.7 Ų | 97.7 | 35% | 0.346 | 47% | 0.474 | S | S | . | . | H | α-helix | trans | -59.3 | -40.3 | 178.5 | -71.7 | 173.7 | -30.7 | 0 | 0 | 112.6 | R1489 L1490 K1495 E1496 A1497 | R1489-Q1493 WeakPolarHBondContact O-CG 3.48Å; R1489-Q1493 PolarHBondContact O-N 3.36Å; L1490-Q1493 PolarHBondContact O-N 2.74Å; Q1493-K1495 PolarHBondContact O-N 2.96Å; Q1493-E1496 PolarHBondContact O-N 3.41Å; Q1493-A1497 WeakPolarHBondContact O-CB 3.4Å; Q1493-A1497 PolarHBondContact O-N 3Å |
| 1494 | I | 70.9 | Confident | 69 | Low | 86 Ų | 86 | 97.9 Ų | 97.9 | 44% | 0.441 | 48% | 0.475 | S | S | . | . | H | α-helix | trans | -62.3 | -41.8 | 175.1 | -69.8 | 164.4 | 0 | 0 | 0 | 111.2 | L1490 I1492 A1497 Q1498 | L1490-I1494 HydrophobicContact CD2-CD1 4.32Å; L1490-I1494 HydrophobicContact CG-CD1 4.29Å; L1490-I1494 VanDerWaalsContact O-CG1 3.3Å; L1490-I1494 WeakPolarHBondContact O-CG1 3.49Å; L1490-I1494 PolarHBondContact O-N 3.26Å; I1492-I1494 VanDerWaalsContact C-N 3.33Å; I1492-I1494 PolarHBondContact O-N 2.91Å; I1494-A1497 PolarHBondContact O-N 2.93Å; I1494-Q1498 VanDerWaalsContact O-CG 3.31Å; I1494-Q1498 WeakPolarHBondContact O-CG 3.49Å; I1494-Q1498 PolarHBondContact O-N 3.11Å |
| 1495 | K | 72 | Confident | 68.3 | Low | 134 Ų | 134 | 97.9 Ų | 97.9 | 58% | 0.583 | 47% | 0.474 | S | S | * | . | H | α-helix | trans | -67.8 | -38.3 | 177 | -73.6 | 174 | -178.9 | 180 | 0 | 112.5 | I1491 I1492 Q1493 Q1498 L1499 | I1491-K1495 HydrophobicContact CG2-CD 4.42Å; I1491-K1495 WeakPolarHBondContact O-CG 3.27Å; I1491-K1495 PolarHBondContact O-N 3.4Å; I1492-K1495 PolarHBondContact O-N 3.38Å; I1492-K1495 VanDerWaalsContact O-N 3.09Å; Q1493-K1495 PolarHBondContact O-N 2.96Å; K1495-Q1498 PolarHBondContact O-N 2.85Å; K1495-L1499 PolarHBondContact O-N 3.48Å |
| 1496 | E | 63.9 | Low | 67.8 | Low | 108 Ų | 108 | 96.7 Ų | 96.7 | 51% | 0.505 | 47% | 0.473 | S | S | . | . | H | α-helix | trans | -64.8 | -41.2 | 173.9 | -71.2 | -175.1 | -179.6 | 0 | 0 | 111.8 | I1492 Q1493 L1499 L1500 | I1492-E1496 PolarHBondContact O-N 3.2Å; Q1493-E1496 PolarHBondContact O-N 3.41Å; E1496-L1499 PolarHBondContact O-N 3.36Å; E1496-L1500 WeakPolarHBondContact O-CG 3.44Å; E1496-L1500 PolarHBondContact O-N 2.85Å |
| 1497 | A | 56.3 | Low | 66.7 | Low | 58 Ų | 58 | 93.1 Ų | 93.1 | 48% | 0.479 | 46% | 0.46 | S | S | . | . | H | α-helix | trans | -64.3 | -39.1 | 174.6 | 0 | 0 | 0 | 0 | 0 | 112.5 | Q1493 I1494 L1500 R1501 | Q1493-A1497 WeakPolarHBondContact O-CB 3.4Å; Q1493-A1497 PolarHBondContact O-N 3Å; I1494-A1497 PolarHBondContact O-N 2.93Å; A1497-L1500 PolarHBondContact O-N 3.5Å; A1497-R1501 PolarHBondContact O-N 2.95Å |
| 1498 | Q | 61.8 | Low | 66.1 | Low | 126 Ų | 126 | 93.1 Ų | 93.1 | 59% | 0.589 | 46% | 0.456 | S | S | * | . | H | α-helix | trans | -64.7 | -41.1 | 173.9 | -74.6 | 172.8 | -9 | 0 | 0 | 112.2 | I1494 K1495 R1501 A1502 | I1494-Q1498 VanDerWaalsContact O-CG 3.31Å; I1494-Q1498 WeakPolarHBondContact O-CG 3.49Å; I1494-Q1498 PolarHBondContact O-N 3.11Å; K1495-Q1498 PolarHBondContact O-N 2.85Å; Q1498-R1501 PolarHBondContact O-N 2.82Å; Q1498-A1502 PolarHBondContact O-N 3.14Å; Q1498-A1502 VanDerWaalsContact O-N 3.14Å |
| 1499 | L | 72.5 | Confident | 64.9 | Low | 107 Ų | 107 | 91.9 Ų | 91.9 | 56% | 0.56 | 45% | 0.452 | S | S | * | . | H | α-helix | trans | -63.2 | -46.5 | 175.2 | -178.5 | 63.1 | 0 | 0 | 0 | 111.5 | K1495 E1496 R1501 A1502 E1503 | K1495-L1499 PolarHBondContact O-N 3.48Å; E1496-L1499 PolarHBondContact O-N 3.36Å; L1499-R1501 VanDerWaalsContact C-N 3.29Å; L1499-R1501 PolarHBondContact O-N 2.68Å; L1499-A1502 WeakPolarHBondContact O-CB 3.4Å; L1499-A1502 PolarHBondContact O-N 3.33Å; L1499-A1502 VanDerWaalsContact O-N 3.08Å; L1499-E1503 PolarHBondContact O-N 2.99Å |
| 1500 | L | 61.2 | Low | 64.4 | Low | 40 Ų | 40 | 92.5 Ų | 92.5 | 21% | 0.209 | 45% | 0.454 | C | S | . | . | H | α-helix | trans | -60.7 | -36.1 | 176.4 | -73.9 | 168.9 | 0 | 0 | 0 | 112.5 | E1496 A1497 E1503 L1504 | E1496-L1500 WeakPolarHBondContact O-CG 3.44Å; E1496-L1500 PolarHBondContact O-N 2.85Å; A1497-L1500 PolarHBondContact O-N 3.5Å; L1500-E1503 PolarHBondContact O-N 3.45Å; L1500-L1504 WeakPolarHBondContact O-CB 3.16Å; L1500-L1504 PolarHBondContact O-N 2.82Å |
| 1501 | R | 61.3 | Low | 63.4 | Low | 164 Ų | 164 | 89.3 Ų | 89.3 | 62% | 0.619 | 44% | 0.437 | S | S | * | . | H | α-helix | trans | -64.5 | -39 | 173.6 | -172 | 175 | 179.5 | 170.8 | 0.2 | 111.9 | A1497 Q1498 L1499 E1505 | A1497-R1501 PolarHBondContact O-N 2.95Å; Q1498-R1501 PolarHBondContact O-N 2.82Å; L1499-R1501 VanDerWaalsContact C-N 3.29Å; L1499-R1501 PolarHBondContact O-N 2.68Å; R1501-E1505 WeakPolarHBondContact O-CB 3.5Å; R1501-E1505 PolarHBondContact O-N 3.41Å |
| 1502 | A | 65.5 | Low | 62.4 | Low | 52 Ų | 52 | 88.6 Ų | 88.6 | 43% | 0.43 | 43% | 0.434 | S | S | . | . | H | α-helix | trans | -70.4 | -36.3 | 175.7 | 0 | 0 | 0 | 0 | 0 | 112.8 | Q1498 L1499 T1506 | Q1498-A1502 PolarHBondContact O-N 3.14Å; Q1498-A1502 VanDerWaalsContact O-N 3.14Å; L1499-A1502 WeakPolarHBondContact O-CB 3.4Å; L1499-A1502 PolarHBondContact O-N 3.33Å; L1499-A1502 VanDerWaalsContact O-N 3.08Å; A1502-T1506 WeakPolarHBondContact O-CB 3.25Å; A1502-T1506 PolarHBondContact O-N 3.27Å; A1502-T1506 PolarHBondContact O-OG1 3.33Å |
| 1503 | E | 66.2 | Low | 61.5 | Low | 93 Ų | 93 | 91.1 Ų | 91.1 | 44% | 0.435 | 44% | 0.444 | S | S | . | . | H | α-helix | trans | -65.6 | -43.2 | 172.6 | -70.6 | -173.9 | 153.6 | 0 | 0 | 111.7 | L1499 L1500 T1506 C1507 | L1499-E1503 PolarHBondContact O-N 2.99Å; L1500-E1503 PolarHBondContact O-N 3.45Å; E1503-T1506 WeakPolarHBondContact O-CB 3.22Å; E1503-T1506 PolarHBondContact O-N 2.84Å; E1503-C1507 PolarHBondContact O-N 3.4Å |
| 1504 | L | 59.5 | Low | 60.4 | Low | 83 Ų | 83 | 89.4 Ų | 89.4 | 44% | 0.435 | 44% | 0.44 | S | S | . | . | H | α-helix | trans | -61.7 | -44.8 | 175.8 | -177.5 | 63.7 | 0 | 0 | 0 | 111.9 | L1400 L1500 T1506 C1507 R1508 | L1400-L1504 HydrophobicContact CD2-CD1 4.25Å; L1500-L1504 WeakPolarHBondContact O-CB 3.16Å; L1500-L1504 PolarHBondContact O-N 2.82Å; L1504-T1506 VanDerWaalsContact C-N 3.34Å; L1504-T1506 PolarHBondContact O-N 3.43Å; L1504-C1507 WeakPolarHBondContact O-CB 3.45Å; L1504-C1507 PolarHBondContact O-N 2.79Å; L1504-R1508 PolarHBondContact O-N 3.16Å |
| 1505 | E | 60.6 | Low | 59.1 | Low | 65 Ų | 65 | 87.8 Ų | 87.8 | 30% | 0.304 | 43% | 0.432 | S | S | . | . | H | α-helix | trans | -64.3 | -38.9 | 176.1 | -169.4 | 57.6 | -126.7 | 0 | 0 | 111.7 | R1501 C1507 R1508 H1509 | R1501-E1505 WeakPolarHBondContact O-CB 3.5Å; R1501-E1505 PolarHBondContact O-N 3.41Å; E1505-C1507 VanDerWaalsContact C-N 3.31Å; E1505-C1507 PolarHBondContact O-N 2.86Å; E1505-R1508 WeakPolarHBondContact O-CB 3.47Å; E1505-R1508 PolarHBondContact O-N 3.02Å; E1505-R1508 VanDerWaalsContact O-N 3.17Å; E1505-R1508 IonicContact OE1-CZ 2.71Å; E1505-R1508 IonicContact OE1-NE 3.94Å; E1505-R1508 PolarHBondContact OE1-NE 2.83Å; E1505-R1508 IonicContact OE1-NH2 3.24Å; E1505-R1508 PolarHBondContact OE1-NH2 3.44Å; E1505-R1508 IonicContact OE2-CZ 3.19Å; E1505-R1508 IonicContact OE2-NE 3.66Å; E1505-R1508 PolarHBondContact OE2-NE 2.99Å; E1505-R1508 IonicContact OE2-NH2 2.83Å; E1505-R1508 PolarHBondContact OE2-NH2 3.46Å; E1505-H1509 PolarHBondContact O-CD2 2.81Å; E1505-H1509 VanDerWaalsContact O-CD2 3.26Å; E1505-H1509 PolarHBondContact O-N 2.82Å; E1505-H1509 IonicContact OE1-CD2 2.94Å; E1505-H1509 IonicContact OE1-NE2 2.7Å; E1505-H1509 PolarHBondContact OE1-NE2 3.28Å |
| 1506 | T | 63.9 | Low | 57.7 | Low | 64 Ų | 64 | 83.6 Ų | 83.6 | 39% | 0.393 | 42% | 0.418 | S | S | . | . | H | α-helix | trans | -61.9 | -38.6 | 172.8 | -57.7 | 0 | 0 | 0 | 0 | 111.6 | A1502 E1503 L1504 R1510 | A1502-T1506 WeakPolarHBondContact O-CB 3.25Å; A1502-T1506 PolarHBondContact O-N 3.27Å; A1502-T1506 PolarHBondContact O-OG1 3.33Å; E1503-T1506 WeakPolarHBondContact O-CB 3.22Å; E1503-T1506 PolarHBondContact O-N 2.84Å; L1504-T1506 VanDerWaalsContact C-N 3.34Å; L1504-T1506 PolarHBondContact O-N 3.43Å; T1506-R1510 WeakPolarHBondContact O-CG 3.22Å; T1506-R1510 PolarHBondContact O-N 2.87Å |
| 1507 | C | 48.8 | Very low | 56.5 | Low | 42 Ų | 42 | 83.9 Ų | 83.9 | 28% | 0.284 | 44% | 0.439 | S | S | . | . | H | α-helix | trans | -68.3 | -37.7 | 173.2 | -78.5 | 0 | 0 | 0 | 0 | 112.5 | L1400 E1503 L1504 E1505 R1510 L1511 | L1400-C1507 HydrophobicContact CD2-CB 4.07Å; E1503-C1507 PolarHBondContact O-N 3.4Å; L1504-C1507 WeakPolarHBondContact O-CB 3.45Å; L1504-C1507 PolarHBondContact O-N 2.79Å; E1505-C1507 VanDerWaalsContact C-N 3.31Å; E1505-C1507 PolarHBondContact O-N 2.86Å; C1507-R1510 PolarHBondContact O-N 2.75Å; C1507-L1511 WeakPolarHBondContact O-CB 3.33Å; C1507-L1511 PolarHBondContact O-N 3.42Å |
| 1508 | R | 58.4 | Low | 56 | Low | 105 Ų | 105 | 86.4 Ų | 86.4 | 40% | 0.396 | 44% | 0.44 | S | S | . | . | H | α-helix | trans | -60.4 | -48.6 | 172.8 | -168.8 | 174.8 | 75.1 | 146.6 | 0.8 | 111.1 | L1504 E1505 R1510 L1511 L1512 | L1504-R1508 PolarHBondContact O-N 3.16Å; E1505-R1508 WeakPolarHBondContact O-CB 3.47Å; E1505-R1508 PolarHBondContact O-N 3.02Å; E1505-R1508 VanDerWaalsContact O-N 3.17Å; E1505-R1508 IonicContact OE1-CZ 2.71Å; E1505-R1508 IonicContact OE1-NE 3.94Å; E1505-R1508 PolarHBondContact OE1-NE 2.83Å; E1505-R1508 IonicContact OE1-NH2 3.24Å; E1505-R1508 PolarHBondContact OE1-NH2 3.44Å; E1505-R1508 IonicContact OE2-CZ 3.19Å; E1505-R1508 IonicContact OE2-NE 3.66Å; E1505-R1508 PolarHBondContact OE2-NE 2.99Å; E1505-R1508 IonicContact OE2-NH2 2.83Å; E1505-R1508 PolarHBondContact OE2-NH2 3.46Å; R1508-R1510 PolarHBondContact O-N 3.16Å; R1508-L1511 PolarHBondContact O-N 3.25Å; R1508-L1512 HydrophobicContact CG-CD1 4.32Å; R1508-L1512 WeakPolarHBondContact O-CG 3.4Å; R1508-L1512 PolarHBondContact O-N 3.39Å |
| 1509 | H | 55.2 | Low | 54.9 | Low | 102 Ų | 102 | 83.3 Ų | 83.3 | 47% | 0.472 | 43% | 0.427 | S | S | . | . | H | α-helix | trans | -59.4 | -46.6 | 175.4 | -78 | -64.3 | 0 | 0 | 0 | 112.7 | E1505 L1511 L1512 E1513 | E1505-H1509 PolarHBondContact O-CD2 2.81Å; E1505-H1509 VanDerWaalsContact O-CD2 3.26Å; E1505-H1509 PolarHBondContact O-N 2.82Å; E1505-H1509 IonicContact OE1-CD2 2.94Å; E1505-H1509 IonicContact OE1-NE2 2.7Å; E1505-H1509 PolarHBondContact OE1-NE2 3.28Å; H1509-L1511 VanDerWaalsContact C-N 3.25Å; H1509-L1511 PolarHBondContact O-N 2.86Å; H1509-L1512 PolarHBondContact O-N 2.78Å; H1509-E1513 WeakPolarHBondContact O-CB 3.42Å; H1509-E1513 WeakPolarHBondContact O-CG 3.37Å; H1509-E1513 PolarHBondContact O-N 2.9Å |
| 1510 | R | 61.2 | Low | 53 | Low | 154 Ų | 154 | 86.4 Ų | 86.4 | 58% | 0.581 | 44% | 0.436 | S | S | * | . | H | α-helix | trans | -62.8 | -29.5 | 177.1 | -74.6 | 175.3 | -176.3 | 170.4 | 5.6 | 113.9 | T1506 C1507 R1508 S1514 | T1506-R1510 WeakPolarHBondContact O-CG 3.22Å; T1506-R1510 PolarHBondContact O-N 2.87Å; C1507-R1510 PolarHBondContact O-N 2.75Å; R1508-R1510 PolarHBondContact O-N 3.16Å; R1510-S1514 PolarHBondContact O-N 3.25Å |
| 1511 | L | 54.8 | Low | 51.6 | Low | 35 Ų | 35 | 85.5 Ų | 85.5 | 18% | 0.183 | 43% | 0.433 | C | S | . | . | H | α-helix | trans | -73 | -44.6 | 174.8 | -168.6 | 68.3 | 0 | 0 | 0 | 110.6 | C1507 R1508 H1509 E1513 S1514 I1515 F1606 | C1507-L1511 WeakPolarHBondContact O-CB 3.33Å; C1507-L1511 PolarHBondContact O-N 3.42Å; R1508-L1511 PolarHBondContact O-N 3.25Å; H1509-L1511 VanDerWaalsContact C-N 3.25Å; H1509-L1511 PolarHBondContact O-N 2.86Å; L1511-E1513 PolarHBondContact O-N 2.97Å; L1511-S1514 WeakPolarHBondContact O-CA 3.31Å; L1511-S1514 WeakPolarHBondContact O-CB 3.27Å; L1511-S1514 PolarHBondContact O-N 3.03Å; L1511-S1514 PolarHBondContact O-OG 3.12Å; L1511-I1515 PolarHBondContact O-N 3.2Å; L1511-F1606 HydrophobicContact CD2-CE2 3.48Å; L1511-F1606 VanDerWaalsContact CD2-CE2 3.48Å; L1511-F1606 HydrophobicContact CD2-CZ 3.67Å |
| 1512 | L | 53.3 | Low | 50.4 | Low | 74 Ų | 74 | 82.6 Ų | 82.6 | 39% | 0.387 | 43% | 0.43 | S | S | . | . | H | α-helix | trans | -61.1 | -41.6 | 173.8 | -66.5 | 169.4 | 0 | 0 | 0 | 111.9 | R1508 H1509 S1514 I1515 | R1508-L1512 HydrophobicContact CG-CD1 4.32Å; R1508-L1512 WeakPolarHBondContact O-CG 3.4Å; R1508-L1512 PolarHBondContact O-N 3.39Å; H1509-L1512 PolarHBondContact O-N 2.78Å; L1512-S1514 PolarHBondContact O-N 2.9Å; L1512-I1515 HydrophobicContact CD2-CD1 4.08Å; L1512-I1515 WeakPolarHBondContact O-CB 3.32Å; L1512-I1515 PolarHBondContact O-N 3.01Å; L1512-I1515 VanDerWaalsContact O-N 3.09Å |
| 1513 | E | 56.8 | Low | 49 | Very low | 148 Ų | 148 | 86.1 Ų | 86.1 | 69% | 0.692 | 44% | 0.44 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.2 | -16.2 | 171.7 | -74.8 | 177.4 | 174.3 | 0 | 0 | 114 | H1509 L1511 | H1509-E1513 WeakPolarHBondContact O-CB 3.42Å; H1509-E1513 WeakPolarHBondContact O-CG 3.37Å; H1509-E1513 PolarHBondContact O-N 2.9Å; L1511-E1513 PolarHBondContact O-N 2.97Å |
| 1514 | S | 44.5 | Very low | 47.6 | Very low | 38 Ų | 38 | 83 Ų | 83 | 27% | 0.266 | 43% | 0.428 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -91.8 | -7.3 | 175.7 | 73.2 | 0 | 0 | 0 | 0 | 114 | R1510 L1511 L1512 | R1510-S1514 PolarHBondContact O-N 3.25Å; L1511-S1514 WeakPolarHBondContact O-CA 3.31Å; L1511-S1514 WeakPolarHBondContact O-CB 3.27Å; L1511-S1514 PolarHBondContact O-N 3.03Å; L1511-S1514 PolarHBondContact O-OG 3.12Å; L1512-S1514 PolarHBondContact O-N 2.9Å |
| 1515 | I | 43.2 | Very low | 46.4 | Very low | 51 Ų | 51 | 85.8 Ų | 85.8 | 26% | 0.262 | 44% | 0.438 | S | S | . | . | S | Bend | trans | -77.9 | 124.5 | 170.1 | -55.4 | 176.5 | 0 | 0 | 0 | 108.4 | L1511 L1512 I1519 W1609 | L1511-I1515 PolarHBondContact O-N 3.2Å; L1512-I1515 HydrophobicContact CD2-CD1 4.08Å; L1512-I1515 WeakPolarHBondContact O-CB 3.32Å; L1512-I1515 PolarHBondContact O-N 3.01Å; L1512-I1515 VanDerWaalsContact O-N 3.09Å; I1515-I1519 HydrophobicContact CG2-CB 4.23Å; I1515-W1609 HydrophobicContact CD1-CH2 4Å; I1515-W1609 HydrophobicContact CD1-CZ2 4.03Å |
| 1516 | P | 42.2 | Very low | 45.3 | Very low | 47 Ų | 47 | 88.2 Ų | 88.2 | 31% | 0.305 | 45% | 0.453 | S | S | . | . | | | trans | -63.7 | 136.3 | 178.2 | -20.8 | 31.7 | 0 | 0 | 0 | 112.4 | H1518 I1519 | P1516-H1518 VanDerWaalsContact CB-CE1 3.49Å; P1516-H1518 WeakPolarHBondContact CB-CE1 3.3Å; P1516-H1518 WeakPolarHBondContact CB-NE2 3.3Å; P1516-H1518 PolarHBondContact O-N 3.39Å; P1516-I1519 HydrophobicContact CB-CG1 4.32Å; P1516-I1519 HydrophobicContact CG-CD1 4.19Å; P1516-I1519 HydrophobicContact CG-CG1 4.4Å; P1516-I1519 PolarHBondContact O-N 3.09Å |
| 1517 | A | 39.8 | Very low | 44 | Very low | 113 Ų | 113 | 89.3 Ų | 89.3 | 93% | 0.934 | 46% | 0.456 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.7 | -5.3 | -176.7 | 0 | 0 | 0 | 0 | 0 | 116 | | |
| 1518 | H | 45.2 | Very low | 43.5 | Very low | 111 Ų | 111 | 90.8 Ų | 90.8 | 51% | 0.514 | 46% | 0.46 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -94.6 | -11.6 | 172.2 | 45.8 | -102.3 | 0 | 0 | 0 | 113.9 | P1516 K1520 | P1516-H1518 VanDerWaalsContact CB-CE1 3.49Å; P1516-H1518 WeakPolarHBondContact CB-CE1 3.3Å; P1516-H1518 WeakPolarHBondContact CB-NE2 3.3Å; P1516-H1518 PolarHBondContact O-N 3.39Å; H1518-K1520 PolarHBondContact O-N 2.91Å |
| 1519 | I | 38.6 | Very low | 42.5 | Very low | 61 Ų | 61 | 89.3 Ų | 89.3 | 31% | 0.313 | 46% | 0.46 | S | S | . | . | | | trans | -77.4 | 95.1 | 170.4 | -53.6 | -170.4 | 0 | 0 | 0 | 107.9 | I1515 P1516 C1521 | I1515-I1519 HydrophobicContact CG2-CB 4.23Å; P1516-I1519 HydrophobicContact CB-CG1 4.32Å; P1516-I1519 HydrophobicContact CG-CD1 4.19Å; P1516-I1519 HydrophobicContact CG-CG1 4.4Å; P1516-I1519 PolarHBondContact O-N 3.09Å; I1519-C1521 VanDerWaalsContact C-N 3.25Å; I1519-C1521 PolarHBondContact O-N 3.34Å |
| 1520 | K | 32.8 | Very low | 42 | Very low | 172 Ų | 172 | 90.6 Ų | 90.6 | 75% | 0.748 | 46% | 0.464 | S | S | * | . | | | trans | -70.6 | 84.7 | 166.9 | -79.4 | -170.4 | 179.1 | 178.4 | 0 | 109.8 | H1518 D1522 | H1518-K1520 PolarHBondContact O-N 2.91Å; K1520-D1522 PolarHBondContact O-N 2.83Å |
| 1521 | C | 32.9 | Very low | 40.9 | Very low | 22 Ų | 22 | 85.4 Ų | 85.4 | 15% | 0.149 | 45% | 0.448 | C | S | . | . | | | trans | -69.4 | 73.5 | 161.9 | -63.6 | 0 | 0 | 0 | 0 | 109.7 | I1519 I1523 T1524 | I1519-C1521 VanDerWaalsContact C-N 3.25Å; I1519-C1521 PolarHBondContact O-N 3.34Å; C1521-I1523 PolarHBondContact O-N 2.91Å; C1521-T1524 HydrophobicContact CB-CG2 3.5Å; C1521-T1524 VanDerWaalsContact CB-OG1 3.22Å; C1521-T1524 WeakPolarHBondContact CB-OG1 3.19Å; C1521-T1524 PolarHBondContact O-N 3.11Å; C1521-T1524 PolarHBondContact O-OG1 3Å |
| 1522 | D | 35.4 | Very low | 40 | Very low | 103 Ų | 103 | 85.5 Ų | 85.5 | 55% | 0.551 | 46% | 0.457 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.2 | -16.6 | 176.3 | -84 | 11.9 | 0 | 0 | 0 | 111.7 | R336 K1520 | R336-D1522 IonicContact NH2-OD2 3.33Å; K1520-D1522 PolarHBondContact O-N 2.83Å |
| 1523 | I | 36.4 | Very low | 39.4 | Very low | 126 Ų | 126 | 87.7 Ų | 87.7 | 65% | 0.646 | 46% | 0.46 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -76.7 | -34.7 | 170.7 | -63.2 | 172.2 | 0 | 0 | 0 | 112.6 | C1521 H1525 N1526 I1527 | C1521-I1523 PolarHBondContact O-N 2.91Å; I1523-H1525 PolarHBondContact O-N 2.83Å; I1523-N1526 PolarHBondContact O-N 3.35Å; I1523-I1527 HydrophobicContact CG2-CD1 3.75Å |
| 1524 | T | 36.9 | Very low | 38.7 | Very low | 28 Ų | 28 | 84.5 Ų | 84.5 | 17% | 0.172 | 45% | 0.448 | C | S | . | . | H | α-helix | trans | -73.3 | -27 | -172 | 59 | 0 | 0 | 0 | 0 | 113.3 | C1521 N1526 I1527 I1528 | C1521-T1524 HydrophobicContact CB-CG2 3.5Å; C1521-T1524 VanDerWaalsContact CB-OG1 3.22Å; C1521-T1524 WeakPolarHBondContact CB-OG1 3.19Å; C1521-T1524 PolarHBondContact O-N 3.11Å; C1521-T1524 PolarHBondContact O-OG1 3Å; T1524-N1526 PolarHBondContact O-N 3.5Å; T1524-I1527 PolarHBondContact O-N 3.42Å; T1524-I1528 WeakPolarHBondContact O-CB 3.3Å; T1524-I1528 VanDerWaalsContact O-CG1 3.25Å; T1524-I1528 WeakPolarHBondContact O-CG1 3.25Å; T1524-I1528 PolarHBondContact O-N 2.83Å |
| 1525 | H | 34.1 | Very low | 38.5 | Very low | 141 Ų | 141 | 87.1 Ų | 87.1 | 65% | 0.653 | 46% | 0.455 | S | S | * | . | H | α-helix | trans | -62 | -42.2 | 177.3 | -86.1 | 40.7 | 0 | 0 | 0 | 111.9 | I1523 I1527 D1529 | I1523-H1525 PolarHBondContact O-N 2.83Å; H1525-I1527 VanDerWaalsContact C-N 3.32Å; H1525-I1527 PolarHBondContact O-N 3.12Å; H1525-D1529 WeakPolarHBondContact O-CB 3.36Å; H1525-D1529 PolarHBondContact O-N 3.44Å |
| 1526 | N | 36.5 | Very low | 38.4 | Very low | 116 Ų | 116 | 91.8 Ų | 91.8 | 62% | 0.62 | 48% | 0.477 | S | S | * | . | H | α-helix | trans | -67.4 | -27.9 | 176.2 | -87.9 | -51.3 | 0 | 0 | 0 | 114.1 | I1523 T1524 | I1523-N1526 PolarHBondContact O-N 3.35Å; T1524-N1526 PolarHBondContact O-N 3.5Å |
| 1527 | I | 37 | Very low | 38.3 | Very low | 86 Ų | 86 | 94.4 Ų | 94.4 | 44% | 0.441 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -86.7 | -41.2 | 179.9 | -61 | 178.3 | 0 | 0 | 0 | 111 | I1523 T1524 H1525 K1530 L1531 | I1523-I1527 HydrophobicContact CG2-CD1 3.75Å; T1524-I1527 PolarHBondContact O-N 3.42Å; H1525-I1527 VanDerWaalsContact C-N 3.32Å; H1525-I1527 PolarHBondContact O-N 3.12Å; I1527-K1530 WeakPolarHBondContact O-CB 3.41Å; I1527-K1530 PolarHBondContact O-N 3.06Å; I1527-L1531 HydrophobicContact CG2-CD1 4.15Å; I1527-L1531 PolarHBondContact O-N 3.27Å |
| 1528 | I | 38 | Very low | 38.2 | Very low | 74 Ų | 74 | 94 Ų | 94 | 38% | 0.379 | 47% | 0.471 | S | S | . | . | H | α-helix | trans | -68.1 | -36.4 | 175.8 | -66.9 | 173.4 | 0 | 0 | 0 | 110.6 | T1524 K1530 L1531 G1532 | T1524-I1528 WeakPolarHBondContact O-CB 3.3Å; T1524-I1528 VanDerWaalsContact O-CG1 3.25Å; T1524-I1528 WeakPolarHBondContact O-CG1 3.25Å; T1524-I1528 PolarHBondContact O-N 2.83Å; I1528-K1530 VanDerWaalsContact C-N 3.33Å; I1528-K1530 PolarHBondContact O-N 2.85Å; I1528-L1531 CarbonylContact O-C 3.03Å; I1528-L1531 PolarHBondContact O-N 3Å; I1528-G1532 PolarHBondContact O-N 3.43Å |
| 1529 | D | 38.3 | Very low | 37.9 | Very low | 73 Ų | 73 | 95.7 Ų | 95.7 | 39% | 0.39 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -64.3 | -35.7 | 172.6 | -102.5 | 23.2 | 0 | 0 | 0 | 112.8 | H1525 G1532 R1533 | H1525-D1529 WeakPolarHBondContact O-CB 3.36Å; H1525-D1529 PolarHBondContact O-N 3.44Å; D1529-G1532 PolarHBondContact O-N 3.21Å; D1529-R1533 VanDerWaalsContact CG-NH1 3.34Å; D1529-R1533 WeakPolarHBondContact O-CB 3.48Å; D1529-R1533 WeakPolarHBondContact O-CG 3.42Å; D1529-R1533 PolarHBondContact O-N 2.75Å; D1529-R1533 IonicContact OD2-CZ 2.78Å; D1529-R1533 IonicContact OD2-NH1 3.28Å; D1529-R1533 PolarHBondContact OD2-NH1 3.23Å; D1529-R1533 IonicContact OD2-NH2 2.81Å; D1529-R1533 PolarHBondContact OD2-NH2 2.93Å |
| 1530 | K | 43.7 | Very low | 37.6 | Very low | 130 Ų | 130 | 101.4 Ų | 101.4 | 57% | 0.565 | 51% | 0.509 | S | S | * | . | H | α-helix | trans | -65.3 | -52.8 | 170.2 | -78.8 | -175.3 | 174.4 | -171.3 | 0 | 110.2 | I1527 I1528 G1532 R1533 D1534 | I1527-K1530 WeakPolarHBondContact O-CB 3.41Å; I1527-K1530 PolarHBondContact O-N 3.06Å; I1528-K1530 VanDerWaalsContact C-N 3.33Å; I1528-K1530 PolarHBondContact O-N 2.85Å; K1530-G1532 PolarHBondContact O-N 2.92Å; K1530-R1533 PolarHBondContact O-N 2.91Å; K1530-R1533 VanDerWaalsContact O-N 3.1Å; K1530-D1534 VanDerWaalsContact O-CB 3.23Å; K1530-D1534 WeakPolarHBondContact O-CB 3.34Å; K1530-D1534 PolarHBondContact O-N 3.08Å |
| 1531 | L | 38 | Very low | 37.6 | Very low | 44 Ų | 44 | 100.6 Ų | 100.6 | 23% | 0.23 | 51% | 0.512 | C | S | . | . | H | α-helix | trans | -54.9 | -21.7 | 172.4 | -78.2 | 159.3 | 0 | 0 | 0 | 114.3 | I1527 I1528 F1535 | I1527-L1531 HydrophobicContact CG2-CD1 4.15Å; I1527-L1531 PolarHBondContact O-N 3.27Å; I1528-L1531 CarbonylContact O-C 3.03Å; I1528-L1531 PolarHBondContact O-N 3Å; L1531-F1535 HydrophobicContact CD2-CE2 4.17Å; L1531-F1535 WeakPolarHBondContact O-CD2 3.41Å |
| 1532 | G | 36.3 | Very low | 37.6 | Very low | 37 Ų | 37 | 105.2 Ų | 105.2 | 38% | 0.381 | 54% | 0.54 | S | S | . | . | H | α-helix | trans | -85.9 | -47.9 | 172.9 | 0 | 0 | 0 | 0 | 0 | 113.3 | I1528 D1529 K1530 M1536 | I1528-G1532 PolarHBondContact O-N 3.43Å; D1529-G1532 PolarHBondContact O-N 3.21Å; K1530-G1532 PolarHBondContact O-N 2.92Å; G1532-M1536 WeakPolarHBondContact O-CG 3.44Å; G1532-M1536 PolarHBondContact O-N 3.37Å |
| 1533 | R | 41.6 | Very low | 37.3 | Very low | 120 Ų | 120 | 106.3 Ų | 106.3 | 45% | 0.453 | 55% | 0.552 | S | S | . | * | H | α-helix | trans | -71.2 | -42.4 | -178.8 | -72.2 | -171.3 | -77.8 | -97 | 8.7 | 112.3 | D1529 K1530 F1535 M1536 N1537 | D1529-R1533 VanDerWaalsContact CG-NH1 3.34Å; D1529-R1533 WeakPolarHBondContact O-CB 3.48Å; D1529-R1533 WeakPolarHBondContact O-CG 3.42Å; D1529-R1533 PolarHBondContact O-N 2.75Å; D1529-R1533 IonicContact OD2-CZ 2.78Å; D1529-R1533 IonicContact OD2-NH1 3.28Å; D1529-R1533 PolarHBondContact OD2-NH1 3.23Å; D1529-R1533 IonicContact OD2-NH2 2.81Å; D1529-R1533 PolarHBondContact OD2-NH2 2.93Å; K1530-R1533 PolarHBondContact O-N 2.91Å; K1530-R1533 VanDerWaalsContact O-N 3.1Å; R1533-F1535 PolarHBondContact O-N 2.91Å; R1533-M1536 PolarHBondContact O-N 3.24Å; R1533-N1537 PolarHBondContact O-N 2.83Å; R1533-N1537 PolarHBondContact O-ND2 3.4Å |
| 1534 | D | 42.3 | Very low | 37.1 | Very low | 81 Ų | 81 | 105.2 Ų | 105.2 | 43% | 0.433 | 56% | 0.563 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -71.4 | -16.8 | -177.9 | -55 | -18.4 | 0 | 0 | 0 | 111.9 | K1530 | K1530-D1534 VanDerWaalsContact O-CB 3.23Å; K1530-D1534 WeakPolarHBondContact O-CB 3.34Å; K1530-D1534 PolarHBondContact O-N 3.08Å |
| 1535 | F | 40.6 | Very low | 36.8 | Very low | 94 Ų | 94 | 109.9 Ų | 109.9 | 41% | 0.412 | 59% | 0.591 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -94.3 | -8.8 | 171.2 | -86.3 | -100.8 | 0 | 0 | 0 | 114.2 | L1531 R1533 | L1531-F1535 HydrophobicContact CD2-CE2 4.17Å; L1531-F1535 WeakPolarHBondContact O-CD2 3.41Å; R1533-F1535 PolarHBondContact O-N 2.91Å |
| 1536 | M | 41.2 | Very low | 36.6 | Very low | 148 Ų | 148 | 109.1 Ų | 109.1 | 73% | 0.729 | 60% | 0.596 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -105.2 | -29.8 | 179.8 | -76.5 | -70.6 | 170.2 | 0 | 0 | 113.4 | G1532 R1533 | G1532-M1536 WeakPolarHBondContact O-CG 3.44Å; G1532-M1536 PolarHBondContact O-N 3.37Å; R1533-M1536 PolarHBondContact O-N 3.24Å |
| 1537 | N | 39.3 | Very low | 36.3 | Very low | 102 Ų | 102 | 109.9 Ų | 109.9 | 55% | 0.545 | 61% | 0.605 | S | S | . | * | G | 310 helix | trans | -83 | -21.2 | -172.2 | -72.2 | -21.2 | 0 | 0 | 0 | 115.3 | R1533 N1539 Q1540 | R1533-N1537 PolarHBondContact O-N 2.83Å; R1533-N1537 PolarHBondContact O-ND2 3.4Å; N1537-N1539 PolarHBondContact O-N 3.4Å; N1537-Q1540 PolarHBondContact O-N 3.48Å |
| 1538 | D | 37.8 | Very low | 36 | Very low | 105 Ų | 105 | 111.7 Ų | 111.7 | 56% | 0.561 | 62% | 0.621 | S | S | * | * | G | 310 helix | trans | -63.6 | -4.3 | -176 | -76.7 | -1.6 | 0 | 0 | 0 | 114.8 | | |
| 1539 | N | 37.5 | Very low | 35.6 | Very low | 146 Ų | 146 | 114.1 Ų | 114.1 | 78% | 0.781 | 64% | 0.639 | S | S | * | * | G | 310 helix | trans | -85.5 | 2.7 | 176.3 | -76.1 | -69.3 | 0 | 0 | 0 | 115 | N1537 | N1537-N1539 PolarHBondContact O-N 3.4Š|
| 1540 | Q | 33 | Very low | 35.2 | Very low | 181 Ų | 181 | 116.1 Ų | 116.1 | 85% | 0.846 | 66% | 0.659 | S | S | * | * | S | Bend | trans | -138.2 | 23.1 | -175.4 | -75.1 | -158.2 | 101.6 | 0 | 0 | 116.9 | N1537 | N1537-Q1540 PolarHBondContact O-N 3.48Š|
| 1541 | L | 32.9 | Very low | 34.7 | Very low | 155 Ų | 155 | 117 Ų | 117 | 81% | 0.812 | 67% | 0.67 | S | S | * | * | | | trans | -106 | 90.5 | 175 | -86.5 | 158.3 | 0 | 0 | 0 | 112.9 | | |
| 1542 | T | 32.3 | Very low | 34.4 | Very low | 120 Ų | 120 | 123 Ų | 123 | 74% | 0.736 | 70% | 0.702 | S | S | * | * | | | trans | -64.7 | 155 | 164.6 | 33.3 | 0 | 0 | 0 | 0 | 112.3 | | |
| 1543 | P | 29.7 | Very low | 34.1 | Very low | 125 Ų | 125 | 127.3 Ų | 127.3 | 81% | 0.812 | 72% | 0.721 | S | S | * | * | | | trans | -65 | 135.9 | -177.3 | 27.7 | -35.8 | 0 | 0 | 0 | 112 | | |
| 1544 | A | 31.4 | Very low | 33.7 | Very low | 104 Ų | 104 | 127.2 Ų | 127.2 | 86% | 0.86 | 73% | 0.734 | S | S | * | * | | | trans | -115.9 | 84.1 | -176.2 | 0 | 0 | 0 | 0 | 0 | 111.8 | | |
| 1545 | T | 31.8 | Very low | 33.1 | Very low | 126 Ų | 126 | 129.5 Ų | 129.5 | 77% | 0.773 | 75% | 0.746 | S | S | * | * | | | trans | -116.7 | 116.7 | 158.6 | 20.5 | 0 | 0 | 0 | 0 | 109.6 | | |
| 1546 | T | 29.1 | Very low | 32.8 | Very low | 124 Ų | 124 | 135.3 Ų | 135.3 | 76% | 0.761 | 77% | 0.772 | S | S | * | * | | | trans | 18.5 | 104.4 | 151.4 | 47.6 | 0 | 0 | 0 | 0 | 118.1 | | |
| 1547 | T | 30.1 | Very low | 32.4 | Very low | 132 Ų | 132 | 133.8 Ų | 133.8 | 81% | 0.81 | 77% | 0.771 | S | S | * | * | | | | -173.2 | 144.4 | 92.9 | 25.9 | 0 | 0 | 0 | 0 | 114.5 | | |
| 1548 | T | 30.8 | Very low | 32.1 | Very low | 124 Ų | 124 | 134.5 Ų | 134.5 | 76% | 0.761 | 78% | 0.779 | S | S | * | * | | | trans | 4.8 | 111.3 | 143.8 | -25.5 | 0 | 0 | 0 | 0 | 119.6 | | |
| 1549 | T | 29.3 | Very low | 31.8 | Very low | 126 Ų | 126 | 139.6 Ų | 139.6 | 77% | 0.773 | 80% | 0.796 | S | S | * | * | | | trans | 38.1 | 104.5 | 130.9 | -42.4 | 0 | 0 | 0 | 0 | 120 | | |
| 1550 | S | 31.4 | Very low | 31.8 | Very low | 115 Ų | 115 | 142.6 Ų | 142.6 | 80% | 0.804 | 80% | 0.802 | S | S | * | * | | | | -159 | 155.2 | 125.9 | 51.9 | 0 | 0 | 0 | 0 | 110.9 | | |
| 1551 | N | 31.8 | Very low | 31.9 | Very low | 148 Ų | 148 | 141.4 Ų | 141.4 | 79% | 0.791 | 80% | 0.797 | S | S | * | * | | | trans | -94.8 | 137.2 | -172.9 | -55.2 | -52.5 | 0 | 0 | 0 | 111.4 | | |
| 1552 | N | 31.5 | Very low | 31.9 | Very low | 169 Ų | 169 | 140.7 Ų | 140.7 | 90% | 0.904 | 79% | 0.794 | S | S | * | * | | | | -164.5 | 155.6 | 127.4 | -95.4 | -33.1 | 0 | 0 | 0 | 110.9 | | |
| 1553 | T | 30.9 | Very low | 32.1 | Very low | 128 Ų | 128 | 143.1 Ų | 143.1 | 79% | 0.785 | 80% | 0.801 | S | S | * | * | | | trans | -99.9 | 162.4 | -165.6 | 45.3 | 0 | 0 | 0 | 0 | 114.1 | | |
| 1554 | T | 32.3 | Very low | 32.2 | Very low | 118 Ų | 118 | 143.1 Ų | 143.1 | 72% | 0.724 | 80% | 0.798 | S | S | * | * | | | trans | 125.9 | 142 | 146 | -48.2 | 0 | 0 | 0 | 0 | 114.6 | | |
| 1555 | D | 30.5 | Very low | 32.3 | Very low | 130 Ų | 130 | 146.2 Ų | 146.2 | 70% | 0.695 | 80% | 0.795 | S | S | * | * | | | trans | 56.9 | 81.6 | 170.3 | -61.5 | -13.9 | 0 | 0 | 0 | 121.2 | T1557 | D1555-T1557 PolarHBondContact O-N 2.89Š|
| 1556 | K | 34.1 | Very low | 32.2 | Very low | 216 Ų | 216 | 148.5 Ų | 148.5 | 94% | 0.939 | 80% | 0.802 | S | S | * | * | | | trans | -85.5 | 79.1 | 161.6 | -71.3 | -176 | 173.9 | -177.6 | 0 | 112.1 | | |
| 1557 | T | 32.3 | Very low | 32.2 | Very low | 116 Ų | 116 | 150.8 Ų | 150.8 | 71% | 0.712 | 80% | 0.801 | S | S | * | * | | | trans | -136.7 | 32.9 | -176.3 | 56 | 0 | 0 | 0 | 0 | 116.7 | D1555 | D1555-T1557 PolarHBondContact O-N 2.89Š|
| 1558 | T | 33 | Very low | 32.2 | Very low | 116 Ų | 116 | 151.3 Ų | 151.3 | 71% | 0.712 | 80% | 0.798 | S | S | * | * | | | trans | -134.3 | 10.8 | -166.6 | -12 | 0 | 0 | 0 | 0 | 118 | | |
| 1559 | F | 32.7 | Very low | 32.3 | Very low | 213 Ų | 213 | 151.5 Ų | 151.5 | 93% | 0.934 | 80% | 0.799 | S | S | * | * | S | Bend | trans | -114.6 | 23.7 | -171.7 | -125.9 | -88.2 | 0 | 0 | 0 | 116.7 | | |
| 1560 | K | 36.7 | Very low | 32.2 | Very low | 209 Ų | 209 | 150.1 Ų | 150.1 | 91% | 0.909 | 80% | 0.795 | S | S | * | * | S | Bend | trans | -133.3 | 18.9 | -178 | -91.1 | -172.2 | 175.7 | 178.5 | 0 | 116.6 | | |
| 1561 | Q | 35.5 | Very low | 32.1 | Very low | 155 Ų | 155 | 148.8 Ų | 148.8 | 72% | 0.724 | 79% | 0.785 | S | S | * | * | | | trans | -118.8 | -13.6 | -176.9 | -77 | -176.6 | -30.8 | 0 | 0 | 116.8 | I1563 | Q1561-I1563 VanDerWaalsContact C-N 3.3Å; Q1561-I1563 PolarHBondContact O-N 2.92Å; Q1561-I1563 VanDerWaalsContact O-N 3.13Å |
| 1562 | N | 32.5 | Very low | 32.2 | Very low | 141 Ų | 141 | 152 Ų | 152 | 75% | 0.754 | 79% | 0.788 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -76.6 | -2.6 | -165.9 | -67.2 | 11.3 | 0 | 0 | 0 | 116.4 | | |
| 1563 | I | 36.9 | Very low | 32.1 | Very low | 171 Ų | 171 | 150.3 Ų | 150.3 | 88% | 0.877 | 78% | 0.784 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -89.8 | -4.9 | -175.6 | -66 | 174.9 | 0 | 0 | 0 | 113 | Q1561 | Q1561-I1563 VanDerWaalsContact C-N 3.3Å; Q1561-I1563 PolarHBondContact O-N 2.92Å; Q1561-I1563 VanDerWaalsContact O-N 3.13Å |
| 1564 | T | 32.1 | Very low | 32.5 | Very low | 125 Ų | 125 | 148.4 Ų | 148.4 | 77% | 0.767 | 77% | 0.772 | S | S | * | * | S | Bend | trans | -124 | 7.3 | -172.4 | 25.8 | 0 | 0 | 0 | 0 | 116.7 | | |
| 1565 | Q | 33 | Very low | 32.8 | Very low | 169 Ų | 169 | 147 Ų | 147 | 79% | 0.79 | 77% | 0.767 | S | S | * | * | | | trans | -134.5 | 24.6 | -177.2 | -63.1 | -163.2 | 23.2 | 0 | 0 | 116.2 | K1567 | Q1565-K1567 PolarHBondContact O-N 2.95Š|
| 1566 | L | 29.9 | Very low | 33.6 | Very low | 174 Ų | 174 | 148 Ų | 148 | 91% | 0.911 | 77% | 0.765 | S | S | * | * | | | trans | -73.6 | 83.8 | 164.9 | -87.2 | 166.1 | 0 | 0 | 0 | 110.4 | | |
| 1567 | K | 29 | Very low | 34 | Very low | 171 Ų | 171 | 144.2 Ų | 144.2 | 74% | 0.743 | 75% | 0.751 | S | S | * | * | | | trans | -138.4 | 147.1 | 171.9 | -179 | -170.2 | 176.3 | -174.2 | 0 | 106.3 | Q1565 | Q1565-K1567 PolarHBondContact O-N 2.95Š|
| 1568 | L | 30.4 | Very low | 34.6 | Very low | 143 Ų | 143 | 142.4 Ų | 142.4 | 75% | 0.749 | 74% | 0.736 | S | S | * | * | | | trans | 73.3 | 144.1 | -171.7 | -42 | 172.9 | 0 | 0 | 0 | 111.2 | | |
| 1569 | T | 32.6 | Very low | 35.1 | Very low | 129 Ų | 129 | 142.6 Ų | 142.6 | 79% | 0.791 | 73% | 0.729 | S | S | * | * | | | cis | -154.9 | 171.2 | -15 | 7 | 0 | 0 | 0 | 0 | 108.7 | | |
| 1570 | S | 27.7 | Very low | 35.8 | Very low | 97 Ų | 97 | 137.6 Ų | 137.6 | 68% | 0.678 | 71% | 0.709 | S | S | * | * | | | trans | -52.6 | 155 | 172.2 | -176.4 | 0 | 0 | 0 | 0 | 114.2 | | |
| 1571 | S | 29.2 | Very low | 36.1 | Very low | 86 Ų | 86 | 129.8 Ų | 129.8 | 60% | 0.601 | 68% | 0.681 | S | S | * | * | | | trans | 97.3 | 127.6 | 156.2 | 80.7 | 0 | 0 | 0 | 0 | 119.9 | | |
| 1572 | Y | 32.8 | Very low | 36.5 | Very low | 216 Ų | 216 | 127.3 Ų | 127.3 | 85% | 0.847 | 67% | 0.668 | S | S | * | * | | | trans | 68.3 | 117.1 | 166.5 | -49.2 | -65.8 | 0 | 0 | 0 | 119.1 | | |
| 1573 | T | 31.1 | Very low | 37.3 | Very low | 133 Ų | 133 | 125.5 Ų | 125.5 | 82% | 0.816 | 66% | 0.658 | S | S | * | * | | | trans | -72.5 | 147.5 | 176.3 | 44.2 | 0 | 0 | 0 | 0 | 112.6 | | |
| 1574 | T | 37.5 | Very low | 37.7 | Very low | 89 Ų | 89 | 121.1 Ų | 121.1 | 55% | 0.546 | 64% | 0.636 | S | S | . | * | | | trans | -128.6 | 145.9 | 155.7 | 63.4 | 0 | 0 | 0 | 0 | 109.9 | K1576 E1577 | T1574-K1576 PolarHBondContact O-N 3.31Å; T1574-E1577 PolarHBondContact O-N 2.88Å; T1574-E1577 VanDerWaalsContact O-N 3.16Å |
| 1575 | S | 40.1 | Very low | 38.1 | Very low | 87 Ų | 87 | 117.6 Ų | 117.6 | 61% | 0.608 | 61% | 0.611 | S | S | * | * | H | α-helix | trans | -55.5 | -26 | -173.8 | 49.6 | 0 | 0 | 0 | 0 | 114.4 | E1577 L1578 E1579 | S1575-E1577 VanDerWaalsContact C-N 3.33Å; S1575-E1577 PolarHBondContact O-N 3.29Å; S1575-L1578 WeakPolarHBondContact O-CB 3.49Å; S1575-L1578 PolarHBondContact O-N 3.37Å; S1575-E1579 PolarHBondContact O-N 2.9Å |
| 1576 | K | 45.7 | Very low | 38.8 | Very low | 153 Ų | 153 | 113.9 Ų | 113.9 | 67% | 0.665 | 59% | 0.594 | S | S | * | * | H | α-helix | trans | -64 | -32.1 | -179.3 | -62.9 | -175.4 | 178.6 | -177.6 | 0 | 113.7 | T1574 L1578 E1579 Q1580 | T1574-K1576 PolarHBondContact O-N 3.31Å; K1576-L1578 VanDerWaalsContact C-N 3.35Å; K1576-E1579 PolarHBondContact O-N 2.89Å; K1576-Q1580 WeakPolarHBondContact O-CB 3.42Å; K1576-Q1580 PolarHBondContact O-N 3.17Å |
| 1577 | E | 44 | Very low | 39.5 | Very low | 136 Ų | 136 | 108.7 Ų | 108.7 | 64% | 0.636 | 57% | 0.572 | S | S | * | * | H | α-helix | trans | -73.1 | -32.4 | 176.3 | -65.5 | -172.2 | 133.5 | 0 | 0 | 111.5 | T1574 S1575 Q1580 S1581 | T1574-E1577 PolarHBondContact O-N 2.88Å; T1574-E1577 VanDerWaalsContact O-N 3.16Å; S1575-E1577 VanDerWaalsContact C-N 3.33Å; S1575-E1577 PolarHBondContact O-N 3.29Å; E1577-Q1580 PolarHBondContact O-N 3.22Å; E1577-S1581 WeakPolarHBondContact O-CB 3.44Å; E1577-S1581 PolarHBondContact O-N 3.13Å |
| 1578 | L | 44 | Very low | 40.5 | Very low | 77 Ų | 77 | 104.9 Ų | 104.9 | 40% | 0.403 | 56% | 0.559 | S | S | . | * | H | α-helix | trans | -65.9 | -47.1 | 170.9 | -107.6 | 162.3 | 0 | 0 | 0 | 111 | L1430 S1575 K1576 Q1580 S1581 F1582 | L1430-L1578 HydrophobicContact CD1-CD1 4.39Å; S1575-L1578 WeakPolarHBondContact O-CB 3.49Å; S1575-L1578 PolarHBondContact O-N 3.37Å; K1576-L1578 VanDerWaalsContact C-N 3.35Å; L1578-Q1580 VanDerWaalsContact C-N 3.34Å; L1578-Q1580 PolarHBondContact O-N 3.47Å; L1578-S1581 PolarHBondContact O-N 3.01Å; L1578-S1581 PolarHBondContact O-OG 3.48Å; L1578-F1582 HydrophobicContact CD2-CD2 4.44Å; L1578-F1582 HydrophobicContact CD2-CE2 4.38Å; L1578-F1582 PolarHBondContact O-N 3.33Å |
| 1579 | E | 44.2 | Very low | 41.2 | Very low | 121 Ų | 121 | 101.3 Ų | 101.3 | 57% | 0.565 | 54% | 0.539 | S | S | * | . | H | α-helix | trans | -59.6 | -41.5 | 173 | -70.1 | -177.6 | 128.4 | 0 | 0 | 112.4 | S1575 K1576 F1582 N1583 | S1575-E1579 PolarHBondContact O-N 2.9Å; K1576-E1579 PolarHBondContact O-N 2.89Å; E1579-F1582 PolarHBondContact O-N 3.25Å; E1579-N1583 PolarHBondContact O-N 3.04Å; E1579-N1583 PolarHBondContact O-ND2 2.93Å |
| 1580 | Q | 47.9 | Very low | 41.9 | Very low | 107 Ų | 107 | 98.9 Ų | 98.9 | 50% | 0.5 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -62.3 | -44.3 | 175.5 | -171 | 63.3 | 55.1 | 0 | 0 | 111.2 | K1576 E1577 L1578 F1582 N1583 D1584 | K1576-Q1580 WeakPolarHBondContact O-CB 3.42Å; K1576-Q1580 PolarHBondContact O-N 3.17Å; E1577-Q1580 PolarHBondContact O-N 3.22Å; L1578-Q1580 VanDerWaalsContact C-N 3.34Å; L1578-Q1580 PolarHBondContact O-N 3.47Å; Q1580-F1582 VanDerWaalsContact C-N 3.32Å; Q1580-F1582 PolarHBondContact O-N 3.15Å; Q1580-N1583 PolarHBondContact O-N 2.67Å; Q1580-D1584 PolarHBondContact NE2-OD1 2.8Å; Q1580-D1584 WeakPolarHBondContact O-CB 3.32Å; Q1580-D1584 VanDerWaalsContact O-CG 3.26Å; Q1580-D1584 PolarHBondContact O-N 3.1Å |
| 1581 | S | 42.2 | Very low | 42.8 | Very low | 46 Ų | 46 | 97.5 Ų | 97.5 | 32% | 0.322 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -62.2 | -37.8 | 177 | 77.3 | 0 | 0 | 0 | 0 | 112.7 | E1577 L1578 D1584 Q1585 | E1577-S1581 WeakPolarHBondContact O-CB 3.44Å; E1577-S1581 PolarHBondContact O-N 3.13Å; L1578-S1581 PolarHBondContact O-N 3.01Å; L1578-S1581 PolarHBondContact O-OG 3.48Å; S1581-D1584 PolarHBondContact O-N 2.91Å; S1581-Q1585 WeakPolarHBondContact O-CB 3.32Å; S1581-Q1585 WeakPolarHBondContact O-CG 3.25Å; S1581-Q1585 PolarHBondContact O-N 2.9Å |
| 1582 | F | 43.3 | Very low | 43.6 | Very low | 103 Ų | 103 | 95.2 Ų | 95.2 | 45% | 0.452 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -66.4 | -43.5 | 173.9 | -100 | -90 | 0 | 0 | 0 | 112 | Y1423 L1578 E1579 Q1580 Q1585 Q1586 | Y1423-F1582 WeakPolarHBondContact OH-CE1 3.28Å; L1578-F1582 HydrophobicContact CD2-CD2 4.44Å; L1578-F1582 HydrophobicContact CD2-CE2 4.38Å; L1578-F1582 PolarHBondContact O-N 3.33Å; E1579-F1582 PolarHBondContact O-N 3.25Å; Q1580-F1582 VanDerWaalsContact C-N 3.32Å; Q1580-F1582 PolarHBondContact O-N 3.15Å; F1582-Q1585 PolarHBondContact O-N 2.86Å; F1582-Q1586 WeakPolarHBondContact O-CB 3.47Å; F1582-Q1586 PolarHBondContact O-N 3.18Å |
| 1583 | N | 50.2 | Low | 44.5 | Very low | 102 Ų | 102 | 89.8 Ų | 89.8 | 55% | 0.545 | 47% | 0.474 | S | S | . | . | H | α-helix | trans | -63.6 | -40 | 175.9 | -77.1 | -46.6 | 0 | 0 | 0 | 112 | E1579 Q1580 Q1586 S1587 | E1579-N1583 PolarHBondContact O-N 3.04Å; E1579-N1583 PolarHBondContact O-ND2 2.93Å; Q1580-N1583 PolarHBondContact O-N 2.67Å; N1583-Q1586 PolarHBondContact O-N 2.88Å; N1583-S1587 WeakPolarHBondContact O-CB 3.21Å; N1583-S1587 PolarHBondContact O-N 3.33Å |
| 1584 | D | 45.2 | Very low | 45.4 | Very low | 80 Ų | 80 | 88.4 Ų | 88.4 | 43% | 0.428 | 46% | 0.456 | S | S | . | . | H | α-helix | trans | -68.5 | -39.8 | 177.4 | -68.3 | -10 | 0 | 0 | 0 | 111.3 | Q1580 S1581 S1587 I1588 | Q1580-D1584 PolarHBondContact NE2-OD1 2.8Å; Q1580-D1584 WeakPolarHBondContact O-CB 3.32Å; Q1580-D1584 VanDerWaalsContact O-CG 3.26Å; Q1580-D1584 PolarHBondContact O-N 3.1Å; S1581-D1584 PolarHBondContact O-N 2.91Å; D1584-S1587 WeakPolarHBondContact O-CB 3.09Å; D1584-S1587 PolarHBondContact O-N 3.36Å; D1584-I1588 VanDerWaalsContact O-CG1 3.28Å; D1584-I1588 WeakPolarHBondContact O-CG1 3.36Å; D1584-I1588 PolarHBondContact O-N 2.87Å |
| 1585 | Q | 40.6 | Very low | 45.9 | Very low | 51 Ų | 51 | 88.5 Ų | 88.5 | 24% | 0.238 | 45% | 0.453 | C | S | . | . | H | α-helix | trans | -65.2 | -42.2 | 172.7 | -74.7 | -172.6 | 8.8 | 0 | 0 | 112.6 | S1581 F1582 S1587 I1588 M1589 | S1581-Q1585 WeakPolarHBondContact O-CB 3.32Å; S1581-Q1585 WeakPolarHBondContact O-CG 3.25Å; S1581-Q1585 PolarHBondContact O-N 2.9Å; F1582-Q1585 PolarHBondContact O-N 2.86Å; Q1585-S1587 VanDerWaalsContact C-N 3.33Å; Q1585-I1588 PolarHBondContact O-N 2.85Å; Q1585-M1589 PolarHBondContact O-N 2.9Å |
| 1586 | Q | 48.2 | Very low | 46.3 | Very low | 91 Ų | 91 | 89 Ų | 89 | 43% | 0.425 | 44% | 0.442 | S | S | . | . | H | α-helix | trans | -64.9 | -39.3 | 175.4 | -172.7 | 64.9 | 50.9 | 0 | 0 | 111 | F1582 N1583 M1589 N1590 | F1582-Q1586 WeakPolarHBondContact O-CB 3.47Å; F1582-Q1586 PolarHBondContact O-N 3.18Å; N1583-Q1586 PolarHBondContact O-N 2.88Å; Q1586-M1589 VanDerWaalsContact NE2-CE 3.32Å; Q1586-M1589 PolarHBondContact O-N 2.91Å; Q1586-N1590 PolarHBondContact NE2-OD1 3.29Å; Q1586-N1590 VanDerWaalsContact O-CB 3.31Å; Q1586-N1590 WeakPolarHBondContact O-CB 3.33Å; Q1586-N1590 PolarHBondContact O-N 3.18Å; Q1586-N1590 PolarHBondContact O-OD1 3.36Å |
| 1587 | S | 44.1 | Very low | 46.8 | Very low | 65 Ų | 65 | 87 Ų | 87 | 46% | 0.455 | 44% | 0.435 | S | S | . | . | H | α-helix | trans | -60.8 | -44.9 | 173.2 | -179.9 | 0 | 0 | 0 | 0 | 112.1 | N1583 D1584 Q1585 T1591 | N1583-S1587 WeakPolarHBondContact O-CB 3.21Å; N1583-S1587 PolarHBondContact O-N 3.33Å; D1584-S1587 WeakPolarHBondContact O-CB 3.09Å; D1584-S1587 PolarHBondContact O-N 3.36Å; Q1585-S1587 VanDerWaalsContact C-N 3.33Å; S1587-T1591 VanDerWaalsContact O-CB 3.3Å; S1587-T1591 WeakPolarHBondContact O-CB 3.49Å; S1587-T1591 PolarHBondContact O-N 3.06Å; S1587-T1591 PolarHBondContact O-OG1 3.18Å |
| 1588 | I | 49.9 | Very low | 47.3 | Very low | 91 Ų | 91 | 84.4 Ų | 84.4 | 47% | 0.467 | 42% | 0.419 | S | S | . | . | H | α-helix | trans | -62.6 | -46.5 | 173.9 | -69 | 162.8 | 0 | 0 | 0 | 110.8 | L1415 D1584 Q1585 T1591 T1592 | L1415-I1588 HydrophobicContact CD1-CG2 4.4Å; L1415-I1588 HydrophobicContact CD2-CG2 4.31Å; D1584-I1588 VanDerWaalsContact O-CG1 3.28Å; D1584-I1588 WeakPolarHBondContact O-CG1 3.36Å; D1584-I1588 PolarHBondContact O-N 2.87Å; Q1585-I1588 PolarHBondContact O-N 2.85Å; I1588-T1591 WeakPolarHBondContact O-CB 3.49Å; I1588-T1591 PolarHBondContact O-N 3.41Å; I1588-T1592 WeakPolarHBondContact O-CG2 3.14Å; I1588-T1592 PolarHBondContact O-N 3.11Å |
| 1589 | M | 44.3 | Very low | 47.7 | Very low | 67 Ų | 67 | 83.2 Ų | 83.2 | 33% | 0.33 | 42% | 0.415 | S | S | . | . | H | α-helix | trans | -60.3 | -49.7 | 178.3 | -175.8 | 164.7 | 63.3 | 0 | 0 | 111.4 | Q1585 Q1586 T1591 T1592 Q1593 | Q1585-M1589 PolarHBondContact O-N 2.9Å; Q1586-M1589 VanDerWaalsContact NE2-CE 3.32Å; Q1586-M1589 PolarHBondContact O-N 2.91Å; M1589-T1591 VanDerWaalsContact C-N 3.27Å; M1589-T1591 PolarHBondContact O-N 2.95Å; M1589-T1592 PolarHBondContact O-N 2.82Å; M1589-T1592 VanDerWaalsContact O-N 3.14Å; M1589-T1592 PolarHBondContact O-OG1 2.76Å; M1589-Q1593 WeakPolarHBondContact O-CG 3.28Å; M1589-Q1593 PolarHBondContact O-N 2.86Å |
| 1590 | N | 46.7 | Very low | 48.1 | Very low | 78 Ų | 78 | 80.5 Ų | 80.5 | 42% | 0.417 | 41% | 0.407 | S | S | . | . | H | α-helix | trans | -56.7 | -41.5 | 174.6 | -67.9 | -1.6 | 0 | 0 | 0 | 111.1 | Q1586 T1592 Q1593 F1594 | Q1586-N1590 PolarHBondContact NE2-OD1 3.29Å; Q1586-N1590 VanDerWaalsContact O-CB 3.31Å; Q1586-N1590 WeakPolarHBondContact O-CB 3.33Å; Q1586-N1590 PolarHBondContact O-N 3.18Å; Q1586-N1590 PolarHBondContact O-OD1 3.36Å; N1590-T1592 PolarHBondContact O-N 3.1Å; N1590-Q1593 PolarHBondContact O-N 3.43Å; N1590-F1594 VanDerWaalsContact O-CB 3.32Å; N1590-F1594 WeakPolarHBondContact O-CB 3.25Å; N1590-F1594 PolarHBondContact O-N 3.4Å |
| 1591 | T | 47.3 | Very low | 48.6 | Very low | 68 Ų | 68 | 79.2 Ų | 79.2 | 42% | 0.417 | 40% | 0.401 | S | S | . | . | H | α-helix | trans | -63.3 | -41.3 | 177 | -59.2 | 0 | 0 | 0 | 0 | 111.9 | S1587 I1588 M1589 Q1593 F1594 L1595 | S1587-T1591 VanDerWaalsContact O-CB 3.3Å; S1587-T1591 WeakPolarHBondContact O-CB 3.49Å; S1587-T1591 PolarHBondContact O-N 3.06Å; S1587-T1591 PolarHBondContact O-OG1 3.18Å; I1588-T1591 WeakPolarHBondContact O-CB 3.49Å; I1588-T1591 PolarHBondContact O-N 3.41Å; M1589-T1591 VanDerWaalsContact C-N 3.27Å; M1589-T1591 PolarHBondContact O-N 2.95Å; T1591-Q1593 VanDerWaalsContact C-N 3.34Å; T1591-Q1593 PolarHBondContact O-N 3.1Å; T1591-F1594 PolarHBondContact O-N 3.33Å; T1591-L1595 HydrophobicContact CG2-CD1 4.02Å; T1591-L1595 HydrophobicContact CG2-CG 4.43Å; T1591-L1595 VanDerWaalsContact O-CB 3.31Å; T1591-L1595 WeakPolarHBondContact O-CB 3.42Å; T1591-L1595 VanDerWaalsContact O-CG 3.27Å; T1591-L1595 WeakPolarHBondContact O-CG 3.48Å; T1591-L1595 PolarHBondContact O-N 3.34Å |
| 1592 | T | 46.1 | Very low | 49.1 | Very low | 38 Ų | 38 | 80.2 Ų | 80.2 | 23% | 0.233 | 40% | 0.4 | C | S | . | . | H | α-helix | trans | -70.9 | -26.7 | 175.2 | 70.2 | 0 | 0 | 0 | 0 | 113.5 | L1415 I1588 M1589 N1590 R1596 | L1415-T1592 HydrophobicContact CD2-CG2 4.3Å; I1588-T1592 WeakPolarHBondContact O-CG2 3.14Å; I1588-T1592 PolarHBondContact O-N 3.11Å; M1589-T1592 PolarHBondContact O-N 2.82Å; M1589-T1592 VanDerWaalsContact O-N 3.14Å; M1589-T1592 PolarHBondContact O-OG1 2.76Å; N1590-T1592 PolarHBondContact O-N 3.1Å; T1592-R1596 WeakPolarHBondContact O-CB 3.46Å; T1592-R1596 PolarHBondContact O-N 2.83Å; T1592-R1596 PolarHBondContact O-NE 3.03Å; T1592-R1596 VanDerWaalsContact O-NE 3.09Å; T1592-R1596 PolarHBondContact OG1-NH2 3.03Å; T1592-R1596 VanDerWaalsContact OG1-NH2 3.07Å |
| 1593 | Q | 51.4 | Low | 49.6 | Very low | 103 Ų | 103 | 77.1 Ų | 77.1 | 48% | 0.481 | 39% | 0.388 | S | S | . | . | H | α-helix | trans | -74.6 | -44.7 | 173.4 | -69.4 | 177.7 | 5.8 | 0 | 0 | 110.8 | M1589 N1590 T1591 R1596 Q1597 | M1589-Q1593 WeakPolarHBondContact O-CG 3.28Å; M1589-Q1593 PolarHBondContact O-N 2.86Å; N1590-Q1593 PolarHBondContact O-N 3.43Å; T1591-Q1593 VanDerWaalsContact C-N 3.34Å; T1591-Q1593 PolarHBondContact O-N 3.1Å; Q1593-R1596 VanDerWaalsContact O-CB 3.23Å; Q1593-R1596 WeakPolarHBondContact O-CB 3.49Å; Q1593-R1596 PolarHBondContact O-N 2.87Å; Q1593-Q1597 PolarHBondContact O-N 3.49Å |
| 1594 | F | 50 | Low | 50 | Low | 103 Ų | 103 | 76.2 Ų | 76.2 | 45% | 0.452 | 38% | 0.383 | S | S | . | . | H | α-helix | trans | -62.3 | -43.2 | 174.6 | 179.6 | -100.1 | 0 | 0 | 0 | 112.5 | N1590 T1591 Q1597 R1598 | N1590-F1594 VanDerWaalsContact O-CB 3.32Å; N1590-F1594 WeakPolarHBondContact O-CB 3.25Å; N1590-F1594 PolarHBondContact O-N 3.4Å; T1591-F1594 PolarHBondContact O-N 3.33Å; F1594-Q1597 PolarHBondContact O-N 2.93Å; F1594-R1598 HydrophobicContact CD1-CG 4.33Å; F1594-R1598 HydrophobicContact CE1-CG 4Å; F1594-R1598 HydrophobicContact CE2-CG 4.27Å; F1594-R1598 HydrophobicContact CZ-CG 3.99Å; F1594-R1598 WeakPolarHBondContact O-CB 3.35Å; F1594-R1598 PolarHBondContact O-N 2.73Å |
| 1595 | L | 48.4 | Very low | 50.8 | Low | 92 Ų | 92 | 77.7 Ų | 77.7 | 48% | 0.482 | 39% | 0.387 | S | S | . | . | H | α-helix | trans | -62.6 | -40.5 | 173.7 | -77.5 | 169.8 | 0 | 0 | 0 | 112 | T1591 V1599 | T1591-L1595 HydrophobicContact CG2-CD1 4.02Å; T1591-L1595 HydrophobicContact CG2-CG 4.43Å; T1591-L1595 VanDerWaalsContact O-CB 3.31Å; T1591-L1595 WeakPolarHBondContact O-CB 3.42Å; T1591-L1595 VanDerWaalsContact O-CG 3.27Å; T1591-L1595 WeakPolarHBondContact O-CG 3.48Å; T1591-L1595 PolarHBondContact O-N 3.34Å; L1595-V1599 VanDerWaalsContact O-CB 3.3Å; L1595-V1599 WeakPolarHBondContact O-CB 3.3Å; L1595-V1599 WeakPolarHBondContact O-CG2 3.17Å; L1595-V1599 PolarHBondContact O-N 2.82Å |
| 1596 | R | 49 | Very low | 51.4 | Low | 96 Ų | 96 | 78.2 Ų | 78.2 | 36% | 0.362 | 39% | 0.388 | S | S | . | . | H | α-helix | trans | -56.2 | -54.6 | 170.8 | -108.8 | 173.9 | -79.2 | -117 | -7.6 | 111 | D1412 T1592 Q1593 V1599 T1600 | D1412-R1596 IonicContact OD1-CZ 3.24Å; D1412-R1596 IonicContact OD1-NH1 2.82Å; D1412-R1596 PolarHBondContact OD1-NH1 2.81Å; D1412-R1596 IonicContact OD1-NH2 3.59Å; D1412-R1596 PolarHBondContact OD1-NH2 2.89Å; D1412-R1596 IonicContact OD2-CZ 3.29Å; D1412-R1596 IonicContact OD2-NH1 2.74Å; D1412-R1596 PolarHBondContact OD2-NH1 2.93Å; D1412-R1596 IonicContact OD2-NH2 3Å; T1592-R1596 WeakPolarHBondContact O-CB 3.46Å; T1592-R1596 PolarHBondContact O-N 2.83Å; T1592-R1596 PolarHBondContact O-NE 3.03Å; T1592-R1596 VanDerWaalsContact O-NE 3.09Å; T1592-R1596 PolarHBondContact OG1-NH2 3.03Å; T1592-R1596 VanDerWaalsContact OG1-NH2 3.07Å; Q1593-R1596 VanDerWaalsContact O-CB 3.23Å; Q1593-R1596 WeakPolarHBondContact O-CB 3.49Å; Q1593-R1596 PolarHBondContact O-N 2.87Å; R1596-V1599 PolarHBondContact O-N 2.57Å; R1596-T1600 PolarHBondContact O-N 3.32Å; R1596-T1600 PolarHBondContact O-OG1 3.34Å |
| 1597 | Q | 56.5 | Low | 51.7 | Low | 112 Ų | 112 | 75.7 Ų | 75.7 | 52% | 0.523 | 38% | 0.378 | S | S | . | . | H | α-helix | trans | -59.6 | -52.2 | -176.9 | 178.9 | 169.4 | -7.6 | 0 | 0 | 111.3 | Q1593 F1594 V1599 T1600 E1601 | Q1593-Q1597 PolarHBondContact O-N 3.49Å; F1594-Q1597 PolarHBondContact O-N 2.93Å; Q1597-V1599 VanDerWaalsContact C-N 3.3Å; Q1597-V1599 PolarHBondContact O-N 3.49Å; Q1597-T1600 PolarHBondContact O-N 3.4Å; Q1597-T1600 VanDerWaalsContact O-N 3.16Å; Q1597-E1601 VanDerWaalsContact CG-CD 3.48Å; Q1597-E1601 HydrophobicContact CG-CG 4.23Å; Q1597-E1601 WeakPolarHBondContact CG-OE1 3.31Å; Q1597-E1601 PolarHBondContact NE2-OE1 2.77Å; Q1597-E1601 WeakPolarHBondContact O-CB 3.44Å; Q1597-E1601 VanDerWaalsContact O-CG 3.28Å; Q1597-E1601 WeakPolarHBondContact O-CG 3.37Å; Q1597-E1601 PolarHBondContact O-N 3.3Å |
| 1598 | R | 54.4 | Low | 52.3 | Low | 82 Ų | 82 | 76 Ų | 76 | 31% | 0.309 | 38% | 0.375 | S | S | . | . | H | α-helix | trans | -58 | -37.5 | 176.3 | -76.9 | -78.5 | -173.6 | 107.4 | -0.4 | 113.1 | F1594 H1602 | F1594-R1598 HydrophobicContact CD1-CG 4.33Å; F1594-R1598 HydrophobicContact CE1-CG 4Å; F1594-R1598 HydrophobicContact CE2-CG 4.27Å; F1594-R1598 HydrophobicContact CZ-CG 3.99Å; F1594-R1598 WeakPolarHBondContact O-CB 3.35Å; F1594-R1598 PolarHBondContact O-N 2.73Å; R1598-H1602 WeakPolarHBondContact O-CB 3.47Å; R1598-H1602 PolarHBondContact O-CD2 2.84Å; R1598-H1602 PolarHBondContact O-N 2.7Å |
| 1599 | V | 51.4 | Low | 52.8 | Low | 51 Ų | 51 | 75.3 Ų | 75.3 | 31% | 0.309 | 37% | 0.366 | S | S | . | . | H | α-helix | trans | -70.3 | -41.8 | 176.7 | 167.2 | 0 | 0 | 0 | 0 | 111.5 | L1595 R1596 Q1597 L1603 | L1595-V1599 VanDerWaalsContact O-CB 3.3Å; L1595-V1599 WeakPolarHBondContact O-CB 3.3Å; L1595-V1599 WeakPolarHBondContact O-CG2 3.17Å; L1595-V1599 PolarHBondContact O-N 2.82Å; R1596-V1599 PolarHBondContact O-N 2.57Å; Q1597-V1599 VanDerWaalsContact C-N 3.3Å; Q1597-V1599 PolarHBondContact O-N 3.49Å; V1599-L1603 HydrophobicContact CG1-CD1 4.12Å; V1599-L1603 VanDerWaalsContact O-CB 3.32Å; V1599-L1603 WeakPolarHBondContact O-CB 3.44Å; V1599-L1603 WeakPolarHBondContact O-CG 3.5Å; V1599-L1603 PolarHBondContact O-N 3.43Å |
| 1600 | T | 53.6 | Low | 53.2 | Low | 64 Ų | 64 | 74.9 Ų | 74.9 | 39% | 0.393 | 36% | 0.362 | S | S | . | . | H | α-helix | trans | -67.8 | -41.7 | 176.1 | -62.7 | 0 | 0 | 0 | 0 | 111.9 | R1596 Q1597 L1603 I1604 | R1596-T1600 PolarHBondContact O-N 3.32Å; R1596-T1600 PolarHBondContact O-OG1 3.34Å; Q1597-T1600 PolarHBondContact O-N 3.4Å; Q1597-T1600 VanDerWaalsContact O-N 3.16Å; T1600-L1603 WeakPolarHBondContact O-CB 3.4Å; T1600-L1603 PolarHBondContact O-N 3.31Å; T1600-I1604 HydrophobicContact CG2-CD1 3.9Å; T1600-I1604 VanDerWaalsContact O-CG1 3.31Å; T1600-I1604 WeakPolarHBondContact O-CG1 3.42Å; T1600-I1604 PolarHBondContact O-N 2.93Å |
| 1601 | E | 58.3 | Low | 53.4 | Low | 81 Ų | 81 | 71.7 Ų | 71.7 | 38% | 0.379 | 35% | 0.346 | S | S | . | . | H | α-helix | trans | -60.1 | -52.7 | 175.2 | -74.4 | 167 | 169.3 | 0 | 0 | 110.8 | Q1597 L1603 I1604 E1605 | Q1597-E1601 VanDerWaalsContact CG-CD 3.48Å; Q1597-E1601 HydrophobicContact CG-CG 4.23Å; Q1597-E1601 WeakPolarHBondContact CG-OE1 3.31Å; Q1597-E1601 PolarHBondContact NE2-OE1 2.77Å; Q1597-E1601 WeakPolarHBondContact O-CB 3.44Å; Q1597-E1601 VanDerWaalsContact O-CG 3.28Å; Q1597-E1601 WeakPolarHBondContact O-CG 3.37Å; Q1597-E1601 PolarHBondContact O-N 3.3Å; E1601-L1603 VanDerWaalsContact C-N 3.3Å; E1601-L1603 PolarHBondContact O-N 3.37Å; E1601-I1604 PolarHBondContact O-N 2.85Å; E1601-I1604 VanDerWaalsContact O-N 3.11Å; E1601-E1605 WeakPolarHBondContact O-CG 3.47Å; E1601-E1605 PolarHBondContact O-N 2.78Å |
| 1602 | H | 51.6 | Low | 53.7 | Low | 67 Ų | 67 | 73.4 Ų | 73.4 | 31% | 0.31 | 35% | 0.352 | S | S | . | . | H | α-helix | trans | -65 | -29.3 | 176.4 | -75.1 | -32.8 | 0 | 0 | 0 | 113.7 | R1598 E1605 F1606 | R1598-H1602 WeakPolarHBondContact O-CB 3.47Å; R1598-H1602 PolarHBondContact O-CD2 2.84Å; R1598-H1602 PolarHBondContact O-N 2.7Å; H1602-E1605 IonicContact CE1-OE2 2.75Å; H1602-E1605 IonicContact CG-OE2 2.76Å; H1602-E1605 IonicContact ND1-OE2 3.02Å; H1602-E1605 PolarHBondContact ND1-OE2 3.13Å; H1602-F1606 WeakPolarHBondContact O-CB 3.47Å; H1602-F1606 PolarHBondContact O-N 3.18Å |
| 1603 | L | 53.5 | Low | 53.9 | Low | 38 Ų | 38 | 72.5 Ų | 72.5 | 20% | 0.199 | 35% | 0.347 | C | S | . | . | H | α-helix | trans | -63.1 | -44.6 | 170.6 | -96.7 | 162.7 | 0 | 0 | 0 | 111.6 | L1401 V1599 T1600 E1601 L1607 L1638 | L1401-L1603 HydrophobicContact CD1-CD2 3.83Å; L1401-L1603 HydrophobicContact CD2-CD2 3.99Å; L1401-L1603 HydrophobicContact CD2-CG 4.34Å; L1401-L1603 HydrophobicContact CG-CD2 4.42Å; V1599-L1603 HydrophobicContact CG1-CD1 4.12Å; V1599-L1603 VanDerWaalsContact O-CB 3.32Å; V1599-L1603 WeakPolarHBondContact O-CB 3.44Å; V1599-L1603 WeakPolarHBondContact O-CG 3.5Å; V1599-L1603 PolarHBondContact O-N 3.43Å; T1600-L1603 WeakPolarHBondContact O-CB 3.4Å; T1600-L1603 PolarHBondContact O-N 3.31Å; E1601-L1603 VanDerWaalsContact C-N 3.3Å; E1601-L1603 PolarHBondContact O-N 3.37Å; L1603-L1607 WeakPolarHBondContact O-CB 3.23Å; L1603-L1607 VanDerWaalsContact O-CG 3.32Å; L1603-L1607 WeakPolarHBondContact O-CG 3.5Å; L1603-L1607 PolarHBondContact O-N 3.01Å; L1603-L1638 HydrophobicContact CB-CD2 4.48Å; L1603-L1638 HydrophobicContact CD1-CD2 4.44Å |
| 1604 | I | 60 | Low | 53.6 | Low | 83 Ų | 83 | 71.2 Ų | 71.2 | 43% | 0.426 | 34% | 0.341 | S | S | . | . | H | α-helix | trans | -69.3 | -44 | 178.9 | -68.6 | 165.1 | 0 | 0 | 0 | 110.6 | T1600 E1601 L1607 N1608 | T1600-I1604 HydrophobicContact CG2-CD1 3.9Å; T1600-I1604 VanDerWaalsContact O-CG1 3.31Å; T1600-I1604 WeakPolarHBondContact O-CG1 3.42Å; T1600-I1604 PolarHBondContact O-N 2.93Å; E1601-I1604 PolarHBondContact O-N 2.85Å; E1601-I1604 VanDerWaalsContact O-N 3.11Å; I1604-L1607 PolarHBondContact O-N 2.86Å; I1604-N1608 WeakPolarHBondContact CG2-ND2 3.32Å; I1604-N1608 VanDerWaalsContact O-CB 3.31Å; I1604-N1608 WeakPolarHBondContact O-CB 3.43Å; I1604-N1608 VanDerWaalsContact O-CG 3.3Å; I1604-N1608 PolarHBondContact O-N 3.22Å; I1604-N1608 PolarHBondContact O-ND2 3.14Å |
| 1605 | E | 60.7 | Low | 53.2 | Low | 111 Ų | 111 | 68 Ų | 68 | 52% | 0.519 | 33% | 0.328 | S | S | . | . | H | α-helix | trans | -59.6 | -46.4 | 173.1 | -71.3 | -176.3 | 136.6 | 0 | 0 | 111.7 | E1601 H1602 N1608 W1609 | E1601-E1605 WeakPolarHBondContact O-CG 3.47Å; E1601-E1605 PolarHBondContact O-N 2.78Å; H1602-E1605 IonicContact CE1-OE2 2.75Å; H1602-E1605 IonicContact CG-OE2 2.76Å; H1602-E1605 IonicContact ND1-OE2 3.02Å; H1602-E1605 PolarHBondContact ND1-OE2 3.13Å; E1605-N1608 PolarHBondContact O-N 3.18Å; E1605-W1609 WeakPolarHBondContact O-CB 3.34Å; E1605-W1609 PolarHBondContact O-N 2.95Å |
| 1606 | F | 54.4 | Low | 52.5 | Low | 61 Ų | 61 | 70.2 Ų | 70.2 | 27% | 0.268 | 33% | 0.334 | S | S | . | . | H | α-helix | trans | -64.1 | -42.8 | -179.9 | 177.9 | -106.3 | 0 | 0 | 0 | 112.4 | V1397 L1511 H1602 W1609 F1610 | V1397-F1606 HydrophobicContact CG1-CE1 4.31Å; L1511-F1606 HydrophobicContact CD2-CE2 3.48Å; L1511-F1606 VanDerWaalsContact CD2-CE2 3.48Å; L1511-F1606 HydrophobicContact CD2-CZ 3.67Å; H1602-F1606 WeakPolarHBondContact O-CB 3.47Å; H1602-F1606 PolarHBondContact O-N 3.18Å; F1606-W1609 HydrophobicContact CD2-CE3 4.04Å; F1606-W1609 HydrophobicContact CD2-CZ3 4.46Å; F1606-W1609 AromaticContact CE2-CE3 3.84Å; F1606-W1609 HydrophobicContact CE2-CE3 3.84Å; F1606-W1609 AromaticContact CE2-CZ3 3.82Å; F1606-W1609 HydrophobicContact CE2-CZ3 3.82Å; F1606-W1609 PolarHBondContact O-N 2.99Å; F1606-F1610 VanDerWaalsContact O-CB 3.27Å; F1606-F1610 WeakPolarHBondContact O-CB 3.27Å; F1606-F1610 PolarHBondContact O-N 3.35Å |
| 1607 | L | 53.6 | Low | 51.9 | Low | 38 Ų | 38 | 71.6 Ų | 71.6 | 20% | 0.199 | 35% | 0.345 | C | S | . | . | H | α-helix | trans | -70.6 | -37.7 | 177.6 | -72.8 | 169.8 | 0 | 0 | 0 | 112.2 | L1603 I1604 F1610 V1611 L1634 L1638 | L1603-L1607 WeakPolarHBondContact O-CB 3.23Å; L1603-L1607 VanDerWaalsContact O-CG 3.32Å; L1603-L1607 WeakPolarHBondContact O-CG 3.5Å; L1603-L1607 PolarHBondContact O-N 3.01Å; I1604-L1607 PolarHBondContact O-N 2.86Å; L1607-F1610 PolarHBondContact O-N 3.34Å; L1607-V1611 WeakPolarHBondContact O-CB 3.49Å; L1607-V1611 WeakPolarHBondContact O-CG2 3.48Å; L1607-V1611 PolarHBondContact O-N 3.21Å; L1607-L1634 HydrophobicContact CD2-CD1 4.43Å; L1607-L1634 HydrophobicContact CD2-CD2 4.28Å; L1607-L1638 HydrophobicContact CD1-CD1 3.44Å; L1607-L1638 VanDerWaalsContact CD1-CD1 3.44Å |
| 1608 | N | 57 | Low | 50.8 | Low | 73 Ų | 73 | 69.4 Ų | 69.4 | 39% | 0.39 | 34% | 0.339 | S | S | . | . | H | α-helix | trans | -61.9 | -45.4 | 171.5 | -78.9 | -42.8 | 0 | 0 | 0 | 111.2 | I1604 E1605 V1611 L1612 | I1604-N1608 WeakPolarHBondContact CG2-ND2 3.32Å; I1604-N1608 VanDerWaalsContact O-CB 3.31Å; I1604-N1608 WeakPolarHBondContact O-CB 3.43Å; I1604-N1608 VanDerWaalsContact O-CG 3.3Å; I1604-N1608 PolarHBondContact O-N 3.22Å; I1604-N1608 PolarHBondContact O-ND2 3.14Å; E1605-N1608 PolarHBondContact O-N 3.18Å; N1608-V1611 PolarHBondContact O-N 3.44Å; N1608-L1612 WeakPolarHBondContact O-CB 3.41Å; N1608-L1612 WeakPolarHBondContact O-CD1 3.35Å; N1608-L1612 VanDerWaalsContact O-CG 3.23Å; N1608-L1612 WeakPolarHBondContact O-CG 3.18Å; N1608-L1612 PolarHBondContact O-N 3.28Å |
| 1609 | W | 60.5 | Low | 49.7 | Very low | 75 Ų | 75 | 73.6 Ų | 73.6 | 28% | 0.284 | 36% | 0.362 | S | S | . | . | H | α-helix | trans | -61.6 | -45.1 | 175 | 175.1 | 77.5 | 0 | 0 | 0 | 111.9 | I1515 E1605 F1606 L1612 S1613 | I1515-W1609 HydrophobicContact CD1-CH2 4Å; I1515-W1609 HydrophobicContact CD1-CZ2 4.03Å; E1605-W1609 WeakPolarHBondContact O-CB 3.34Å; E1605-W1609 PolarHBondContact O-N 2.95Å; F1606-W1609 HydrophobicContact CD2-CE3 4.04Å; F1606-W1609 HydrophobicContact CD2-CZ3 4.46Å; F1606-W1609 AromaticContact CE2-CE3 3.84Å; F1606-W1609 HydrophobicContact CE2-CE3 3.84Å; F1606-W1609 AromaticContact CE2-CZ3 3.82Å; F1606-W1609 HydrophobicContact CE2-CZ3 3.82Å; F1606-W1609 PolarHBondContact O-N 2.99Å; W1609-L1612 PolarHBondContact O-N 3.23Å; W1609-S1613 PolarHBondContact NE1-OG 3.13Å; W1609-S1613 VanDerWaalsContact O-CB 3.25Å; W1609-S1613 WeakPolarHBondContact O-CB 3.39Å; W1609-S1613 PolarHBondContact O-N 3.06Å; W1609-S1613 PolarHBondContact O-OG 3.13Å |
| 1610 | F | 52.4 | Low | 48.7 | Very low | 58 Ų | 58 | 76.7 Ų | 76.7 | 25% | 0.254 | 38% | 0.376 | S | S | . | . | H | α-helix | trans | -61.7 | -46 | 178 | -179.9 | -98.2 | 0 | 0 | 0 | 112 | T1394 F1606 L1607 Q1614 | T1394-F1610 HydrophobicContact CG2-CE2 4.39Å; T1394-F1610 HydrophobicContact CG2-CZ 4.12Å; F1606-F1610 VanDerWaalsContact O-CB 3.27Å; F1606-F1610 WeakPolarHBondContact O-CB 3.27Å; F1606-F1610 PolarHBondContact O-N 3.35Å; L1607-F1610 PolarHBondContact O-N 3.34Å; F1610-Q1614 HydrophobicContact CD2-CG 4.16Å; F1610-Q1614 HydrophobicContact CE2-CG 4.11Å; F1610-Q1614 VanDerWaalsContact O-CB 3.28Å; F1610-Q1614 WeakPolarHBondContact O-CB 3.36Å; F1610-Q1614 WeakPolarHBondContact O-CG 3.32Å; F1610-Q1614 PolarHBondContact O-N 3Å; F1610-Q1614 VanDerWaalsContact O-N 3.08Å |
| 1611 | V | 50.7 | Low | 47.7 | Very low | 11 Ų | 11 | 83.6 Ų | 83.6 | 7% | 0.067 | 40% | 0.4 | C | S | . | . | H | α-helix | trans | -62.1 | -48.4 | 176.4 | 165.6 | 0 | 0 | 0 | 0 | 110.8 | L1607 N1608 I1615 | L1607-V1611 WeakPolarHBondContact O-CB 3.49Å; L1607-V1611 WeakPolarHBondContact O-CG2 3.48Å; L1607-V1611 PolarHBondContact O-N 3.21Å; N1608-V1611 PolarHBondContact O-N 3.44Å; V1611-I1615 HydrophobicContact CG1-CD1 4.4Å; V1611-I1615 VanDerWaalsContact O-CB 3.27Å; V1611-I1615 WeakPolarHBondContact O-CB 3.44Å; V1611-I1615 PolarHBondContact O-N 2.85Å; V1611-I1615 VanDerWaalsContact O-N 3.1Å |
| 1612 | L | 52.9 | Low | 46.8 | Very low | 105 Ų | 105 | 82.4 Ų | 82.4 | 55% | 0.55 | 40% | 0.398 | S | S | . | . | H | α-helix | trans | -63.8 | -52.5 | 179.4 | -71.3 | 166.9 | 0 | 0 | 0 | 111.8 | N1608 W1609 Q1614 F1616 | N1608-L1612 WeakPolarHBondContact O-CB 3.41Å; N1608-L1612 WeakPolarHBondContact O-CD1 3.35Å; N1608-L1612 VanDerWaalsContact O-CG 3.23Å; N1608-L1612 WeakPolarHBondContact O-CG 3.18Å; N1608-L1612 PolarHBondContact O-N 3.28Å; W1609-L1612 PolarHBondContact O-N 3.23Å; L1612-Q1614 VanDerWaalsContact C-N 3.34Å; L1612-Q1614 PolarHBondContact O-N 3.14Å; L1612-F1616 HydrophobicContact CD2-CD2 4.45Å; L1612-F1616 WeakPolarHBondContact O-CB 3.3Å; L1612-F1616 PolarHBondContact O-N 3.41Å |
| 1613 | S | 51.6 | Low | 46.4 | Very low | 19 Ų | 19 | 84.7 Ų | 84.7 | 13% | 0.133 | 41% | 0.413 | C | S | . | . | H | α-helix | trans | -78.8 | -7.1 | -172.9 | -61.4 | 0 | 0 | 0 | 0 | 115.2 | W1609 | W1609-S1613 PolarHBondContact NE1-OG 3.13Å; W1609-S1613 VanDerWaalsContact O-CB 3.25Å; W1609-S1613 WeakPolarHBondContact O-CB 3.39Å; W1609-S1613 PolarHBondContact O-N 3.06Å; W1609-S1613 PolarHBondContact O-OG 3.13Å |
| 1614 | Q | 45.1 | Very low | 46 | Very low | 75 Ų | 75 | 87.6 Ų | 87.6 | 35% | 0.35 | 43% | 0.426 | S | S | . | . | H | α-helix | trans | -119.2 | -17.9 | 177.2 | -60.7 | -65.8 | -70.1 | 0 | 0 | 114.1 | F1610 L1612 | F1610-Q1614 HydrophobicContact CD2-CG 4.16Å; F1610-Q1614 HydrophobicContact CE2-CG 4.11Å; F1610-Q1614 VanDerWaalsContact O-CB 3.28Å; F1610-Q1614 WeakPolarHBondContact O-CB 3.36Å; F1610-Q1614 WeakPolarHBondContact O-CG 3.32Å; F1610-Q1614 PolarHBondContact O-N 3Å; F1610-Q1614 VanDerWaalsContact O-N 3.08Å; L1612-Q1614 VanDerWaalsContact C-N 3.34Å; L1612-Q1614 PolarHBondContact O-N 3.14Å |
| 1615 | I | 40.9 | Very low | 45.1 | Very low | 37 Ų | 37 | 89.1 Ų | 89.1 | 19% | 0.19 | 44% | 0.435 | C | S | . | . | H | α-helix | trans | -101.1 | -31.3 | 176.7 | -60.9 | 179.8 | 0 | 0 | 0 | 112.1 | V1611 V1622 | V1611-I1615 HydrophobicContact CG1-CD1 4.4Å; V1611-I1615 VanDerWaalsContact O-CB 3.27Å; V1611-I1615 WeakPolarHBondContact O-CB 3.44Å; V1611-I1615 PolarHBondContact O-N 2.85Å; V1611-I1615 VanDerWaalsContact O-N 3.1Å; I1615-V1622 HydrophobicContact CG2-CB 4.06Å; I1615-V1622 HydrophobicContact CG2-CG2 3.77Å |
| 1616 | F | 34.1 | Very low | 44.4 | Very low | 138 Ų | 138 | 88.2 Ų | 88.2 | 61% | 0.605 | 43% | 0.433 | S | S | * | . | S | Bend | trans | -105.7 | -13.2 | -173.4 | -67.5 | -89 | 0 | 0 | 0 | 115.6 | L1612 | L1612-F1616 HydrophobicContact CD2-CD2 4.45Å; L1612-F1616 WeakPolarHBondContact O-CB 3.3Å; L1612-F1616 PolarHBondContact O-N 3.41Å |
| 1617 | E | 37.1 | Very low | 43.8 | Very low | 124 Ų | 124 | 87.8 Ų | 87.8 | 58% | 0.579 | 43% | 0.429 | S | S | * | . | S | Bend | trans | -92.4 | 5.1 | 171.7 | -70 | -170.3 | 170.3 | 0 | 0 | 113.5 | | |
| 1618 | T | 32.3 | Very low | 43.8 | Very low | 67 Ų | 67 | 90.4 Ų | 90.4 | 41% | 0.411 | 44% | 0.441 | S | S | . | . | S | Bend | trans | -118.6 | 142.8 | 166.5 | 69.6 | 0 | 0 | 0 | 0 | 109.1 | I1620 | T1618-I1620 PolarHBondContact O-N 3.39Š|
| 1619 | E | 30.8 | Very low | 43.7 | Very low | 169 Ų | 169 | 92 Ų | 92 | 79% | 0.79 | 45% | 0.449 | S | S | * | . | | | trans | -72.2 | 19.2 | -176.3 | -60.7 | -174.3 | 118.3 | 0 | 0 | 114.2 | K1621 | E1619-K1621 PolarHBondContact O-N 3.17Š|
| 1620 | I | 32 | Very low | 43 | Very low | 116 Ų | 116 | 91.5 Ų | 91.5 | 60% | 0.595 | 45% | 0.451 | S | S | * | . | | | trans | -78.2 | 102.8 | 178.7 | -56.7 | 177.2 | 0 | 0 | 0 | 108.2 | T1618 V1622 | T1618-I1620 PolarHBondContact O-N 3.39Å; I1620-V1622 HydrophobicContact CG2-CG2 4.31Å; I1620-V1622 PolarHBondContact O-N 2.93Å |
| 1621 | K | 32.9 | Very low | 42.8 | Very low | 210 Ų | 210 | 91.4 Ų | 91.4 | 91% | 0.913 | 45% | 0.452 | S | S | * | . | | | trans | -61 | 95.3 | 168.5 | -68 | -176.7 | -179.9 | 179.4 | 0 | 110 | E1619 | E1619-K1621 PolarHBondContact O-N 3.17Š|
| 1622 | V | 38.3 | Very low | 42.9 | Very low | 55 Ų | 55 | 95.7 Ų | 95.7 | 33% | 0.333 | 47% | 0.474 | S | S | . | . | | | trans | -75.6 | 135 | 170.1 | 172.5 | 0 | 0 | 0 | 0 | 109 | I1615 I1620 L1626 | I1615-V1622 HydrophobicContact CG2-CB 4.06Å; I1615-V1622 HydrophobicContact CG2-CG2 3.77Å; I1620-V1622 HydrophobicContact CG2-CG2 4.31Å; I1620-V1622 PolarHBondContact O-N 2.93Å; V1622-L1626 HydrophobicContact CG1-CB 4.19Å; V1622-L1626 HydrophobicContact CG1-CD2 4.26Å; V1622-L1626 HydrophobicContact CG1-CG 4.31Å |
| 1623 | D | 42.7 | Very low | 43 | Very low | 116 Ų | 116 | 96 Ų | 96 | 62% | 0.62 | 47% | 0.473 | S | S | * | . | | | trans | -67.6 | 142.3 | -179.3 | -144.7 | -21.9 | 0 | 0 | 0 | 111.1 | D1625 L1626 W1627 | D1623-D1625 VanDerWaalsContact C-N 3.3Å; D1623-D1625 PolarHBondContact O-N 3.06Å; D1623-L1626 HydrophobicContact CB-CB 4.23Å; D1623-L1626 WeakPolarHBondContact O-CA 3.39Å; D1623-L1626 WeakPolarHBondContact O-CB 3.35Å; D1623-L1626 PolarHBondContact O-N 3.23Å; D1623-W1627 PolarHBondContact O-N 2.88Å |
| 1624 | Q | 45.6 | Very low | 42.7 | Very low | 99 Ų | 99 | 97.7 Ų | 97.7 | 46% | 0.463 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -59.9 | -43.8 | -176.1 | 179.6 | 65.4 | 21.9 | 0 | 0 | 110.6 | L1626 W1627 E1628 | Q1624-L1626 PolarHBondContact O-N 3.27Å; Q1624-W1627 PolarHBondContact O-N 3.08Å; Q1624-W1627 VanDerWaalsContact O-N 3.14Å; Q1624-E1628 PolarHBondContact NE2-OE1 3.21Å; Q1624-E1628 PolarHBondContact O-N 3.05Å |
| 1625 | D | 42.5 | Very low | 42.8 | Very low | 115 Ų | 115 | 102.3 Ų | 102.3 | 62% | 0.615 | 49% | 0.494 | S | S | * | . | H | α-helix | trans | -55.5 | -35.2 | 174.3 | -76 | 17.9 | 0 | 0 | 0 | 112.3 | D1623 N1629 | D1623-D1625 VanDerWaalsContact C-N 3.3Å; D1623-D1625 PolarHBondContact O-N 3.06Å; D1625-N1629 WeakPolarHBondContact O-CB 3.5Å; D1625-N1629 PolarHBondContact O-N 2.82Å; D1625-N1629 PolarHBondContact O-ND2 3.15Å |
| 1626 | L | 44.9 | Very low | 43.1 | Very low | 91 Ų | 91 | 106.6 Ų | 106.6 | 48% | 0.476 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -78 | -36.3 | 179.8 | -174.1 | 58.4 | 0 | 0 | 0 | 111.6 | V1622 D1623 Q1624 I1630 | V1622-L1626 HydrophobicContact CG1-CB 4.19Å; V1622-L1626 HydrophobicContact CG1-CD2 4.26Å; V1622-L1626 HydrophobicContact CG1-CG 4.31Å; D1623-L1626 HydrophobicContact CB-CB 4.23Å; D1623-L1626 WeakPolarHBondContact O-CA 3.39Å; D1623-L1626 WeakPolarHBondContact O-CB 3.35Å; D1623-L1626 PolarHBondContact O-N 3.23Å; Q1624-L1626 PolarHBondContact O-N 3.27Å; L1626-I1630 HydrophobicContact CD1-CD1 4.01Å; L1626-I1630 HydrophobicContact CD1-CG1 4.29Å; L1626-I1630 HydrophobicContact CG-CD1 3.96Å; L1626-I1630 WeakPolarHBondContact O-CB 3.44Å; L1626-I1630 WeakPolarHBondContact O-CD1 3.3Å; L1626-I1630 VanDerWaalsContact O-CG1 3.25Å; L1626-I1630 WeakPolarHBondContact O-CG1 3.37Å; L1626-I1630 PolarHBondContact O-N 3.32Å |
| 1627 | W | 41.5 | Very low | 43.5 | Very low | 53 Ų | 53 | 105.2 Ų | 105.2 | 20% | 0.201 | 51% | 0.507 | C | S | . | . | H | α-helix | trans | -62.5 | -45.6 | 171.5 | 178.7 | 81.4 | 0 | 0 | 0 | 111.5 | D1623 Q1624 I1630 Q1631 | D1623-W1627 PolarHBondContact O-N 2.88Å; Q1624-W1627 PolarHBondContact O-N 3.08Å; Q1624-W1627 VanDerWaalsContact O-N 3.14Å; W1627-I1630 PolarHBondContact O-N 3.38Å; W1627-Q1631 HydrophobicContact CD2-CG 4.22Å; W1627-Q1631 HydrophobicContact CH2-CG 4.43Å; W1627-Q1631 HydrophobicContact CZ2-CG 3.93Å; W1627-Q1631 WeakPolarHBondContact O-CB 3.36Å; W1627-Q1631 WeakPolarHBondContact O-CG 3.42Å; W1627-Q1631 PolarHBondContact O-N 3.35Å |
| 1628 | E | 54 | Low | 43.6 | Very low | 93 Ų | 93 | 102.2 Ų | 102.2 | 44% | 0.435 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -66.3 | -43.8 | 178.4 | -66.4 | -170.8 | -169.9 | 0 | 0 | 112.1 | Q1624 I1630 Q1631 D1632 | Q1624-E1628 PolarHBondContact NE2-OE1 3.21Å; Q1624-E1628 PolarHBondContact O-N 3.05Å; E1628-I1630 PolarHBondContact O-N 3.3Å; E1628-Q1631 PolarHBondContact O-N 3.33Å; E1628-D1632 WeakPolarHBondContact O-CB 3.46Å; E1628-D1632 PolarHBondContact O-N 3.08Å |
| 1629 | N | 54.3 | Low | 44 | Very low | 107 Ų | 107 | 102.9 Ų | 102.9 | 57% | 0.572 | 50% | 0.503 | S | S | * | . | H | α-helix | trans | -61.5 | -40.3 | 175.4 | -85.4 | -92.4 | 0 | 0 | 0 | 112.5 | D1625 E1633 | D1625-N1629 WeakPolarHBondContact O-CB 3.5Å; D1625-N1629 PolarHBondContact O-N 2.82Å; D1625-N1629 PolarHBondContact O-ND2 3.15Å; N1629-E1633 VanDerWaalsContact O-CB 3.3Å; N1629-E1633 WeakPolarHBondContact O-CB 3.26Å; N1629-E1633 PolarHBondContact O-N 3.29Å |
| 1630 | I | 46.2 | Very low | 44 | Very low | 63 Ų | 63 | 99.8 Ų | 99.8 | 32% | 0.323 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -69.1 | -40.3 | 178.1 | -70.6 | 168.6 | 0 | 0 | 0 | 111 | L1626 W1627 E1628 L1634 | L1626-I1630 HydrophobicContact CD1-CD1 4.01Å; L1626-I1630 HydrophobicContact CD1-CG1 4.29Å; L1626-I1630 HydrophobicContact CG-CD1 3.96Å; L1626-I1630 WeakPolarHBondContact O-CB 3.44Å; L1626-I1630 WeakPolarHBondContact O-CD1 3.3Å; L1626-I1630 VanDerWaalsContact O-CG1 3.25Å; L1626-I1630 WeakPolarHBondContact O-CG1 3.37Å; L1626-I1630 PolarHBondContact O-N 3.32Å; W1627-I1630 PolarHBondContact O-N 3.38Å; E1628-I1630 PolarHBondContact O-N 3.3Å; I1630-L1634 HydrophobicContact CG2-CD1 3.87Å; I1630-L1634 HydrophobicContact CG2-CG 4.48Å; I1630-L1634 VanDerWaalsContact O-CB 3.3Å; I1630-L1634 WeakPolarHBondContact O-CB 3.27Å; I1630-L1634 VanDerWaalsContact O-CG 3.3Å; I1630-L1634 WeakPolarHBondContact O-CG 3.04Å; I1630-L1634 PolarHBondContact O-N 3.2Å |
| 1631 | Q | 48.1 | Very low | 44.6 | Very low | 57 Ų | 57 | 99 Ų | 99 | 27% | 0.266 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -62.6 | -46.5 | 174.5 | -76.4 | -67.8 | -60.7 | 0 | 0 | 111.5 | W1627 E1628 R1635 | W1627-Q1631 HydrophobicContact CD2-CG 4.22Å; W1627-Q1631 HydrophobicContact CH2-CG 4.43Å; W1627-Q1631 HydrophobicContact CZ2-CG 3.93Å; W1627-Q1631 WeakPolarHBondContact O-CB 3.36Å; W1627-Q1631 WeakPolarHBondContact O-CG 3.42Å; W1627-Q1631 PolarHBondContact O-N 3.35Å; E1628-Q1631 PolarHBondContact O-N 3.33Å; Q1631-R1635 WeakPolarHBondContact O-CB 3.3Å; Q1631-R1635 PolarHBondContact O-N 3.35Å |
| 1632 | D | 53.6 | Low | 45.2 | Very low | 100 Ų | 100 | 93.1 Ų | 93.1 | 54% | 0.535 | 46% | 0.456 | S | S | . | . | H | α-helix | trans | -70.3 | -38.1 | 179.8 | -90.2 | -9.4 | 0 | 0 | 0 | 112.7 | E1628 R1635 F1636 | E1628-D1632 WeakPolarHBondContact O-CB 3.46Å; E1628-D1632 PolarHBondContact O-N 3.08Å; D1632-R1635 PolarHBondContact O-N 2.71Å; D1632-F1636 WeakPolarHBondContact O-CB 3.39Å; D1632-F1636 PolarHBondContact O-N 3.36Å |
| 1633 | E | 54.6 | Low | 45.6 | Very low | 111 Ų | 111 | 95.2 Ų | 95.2 | 52% | 0.519 | 46% | 0.463 | S | S | . | . | H | α-helix | trans | -67.3 | -41.9 | 176.3 | -169.9 | 163.4 | -145 | 0 | 0 | 111.4 | N1629 F1636 E1637 | N1629-E1633 VanDerWaalsContact O-CB 3.3Å; N1629-E1633 WeakPolarHBondContact O-CB 3.26Å; N1629-E1633 PolarHBondContact O-N 3.29Å; E1633-F1636 PolarHBondContact O-N 3.24Å; E1633-E1637 PolarHBondContact O-N 3.37Å |
| 1634 | L | 44.5 | Very low | 45.8 | Very low | 56 Ų | 56 | 94 Ų | 94 | 29% | 0.293 | 45% | 0.453 | S | S | . | . | H | α-helix | trans | -64.6 | -43.3 | 172.5 | -75.3 | 171.1 | 0 | 0 | 0 | 112.1 | L1607 I1630 F1636 E1637 L1638 | L1607-L1634 HydrophobicContact CD2-CD1 4.43Å; L1607-L1634 HydrophobicContact CD2-CD2 4.28Å; I1630-L1634 HydrophobicContact CG2-CD1 3.87Å; I1630-L1634 HydrophobicContact CG2-CG 4.48Å; I1630-L1634 VanDerWaalsContact O-CB 3.3Å; I1630-L1634 WeakPolarHBondContact O-CB 3.27Å; I1630-L1634 VanDerWaalsContact O-CG 3.3Å; I1630-L1634 WeakPolarHBondContact O-CG 3.04Å; I1630-L1634 PolarHBondContact O-N 3.2Å; L1634-F1636 VanDerWaalsContact C-N 3.29Å; L1634-F1636 PolarHBondContact O-N 3.03Å; L1634-E1637 PolarHBondContact O-N 2.87Å; L1634-L1638 WeakPolarHBondContact O-CB 3.4Å; L1634-L1638 PolarHBondContact O-N 3.48Å |
| 1635 | R | 47.7 | Very low | 45.8 | Very low | 171 Ų | 171 | 93.7 Ų | 93.7 | 65% | 0.645 | 45% | 0.453 | S | S | * | . | H | α-helix | trans | -65.9 | -33 | 177.8 | -173.8 | -179.1 | -173.6 | -168.6 | 4.4 | 111.9 | Q1631 D1632 S1639 | Q1631-R1635 WeakPolarHBondContact O-CB 3.3Å; Q1631-R1635 PolarHBondContact O-N 3.35Å; D1632-R1635 PolarHBondContact O-N 2.71Å; R1635-S1639 WeakPolarHBondContact O-CB 3.16Å; R1635-S1639 PolarHBondContact O-N 1.92Å; R1635-S1639 VanDerWaalsContact O-N 3.13Å; R1635-S1639 PolarHBondContact O-OG 3.44Å |
| 1636 | F | 46.9 | Very low | 46 | Very low | 127 Ų | 127 | 92.3 Ų | 92.3 | 56% | 0.557 | 44% | 0.442 | S | S | * | . | H | α-helix | trans | -70 | -43.6 | 174 | -165.7 | -86.4 | 0 | 0 | 0 | 111.5 | D1632 E1633 L1634 L1638 S1639 Y1640 | D1632-F1636 WeakPolarHBondContact O-CB 3.39Å; D1632-F1636 PolarHBondContact O-N 3.36Å; E1633-F1636 PolarHBondContact O-N 3.24Å; L1634-F1636 VanDerWaalsContact C-N 3.29Å; L1634-F1636 PolarHBondContact O-N 3.03Å; F1636-L1638 VanDerWaalsContact C-N 3.33Å; F1636-L1638 PolarHBondContact O-N 2.97Å; F1636-S1639 PolarHBondContact O-N 3.31Å; F1636-Y1640 WeakPolarHBondContact O-CB 3.3Å |
| 1637 | E | 42.6 | Very low | 46.1 | Very low | 109 Ų | 109 | 92.4 Ų | 92.4 | 51% | 0.509 | 44% | 0.439 | S | S | . | . | H | α-helix | trans | -64 | -31.4 | 171.8 | -80.5 | -96.1 | 131.4 | 0 | 0 | 113.1 | E1633 L1634 | E1633-E1637 PolarHBondContact O-N 3.37Å; L1634-E1637 PolarHBondContact O-N 2.87Å |
| 1638 | L | 38.8 | Very low | 46.4 | Very low | 61 Ų | 61 | 95.4 Ų | 95.4 | 32% | 0.319 | 46% | 0.458 | S | S | . | . | H | α-helix | trans | -81.5 | -16.7 | 177.9 | -115.8 | 157.3 | 0 | 0 | 0 | 114.3 | L1603 L1607 L1634 F1636 | L1603-L1638 HydrophobicContact CB-CD2 4.48Å; L1603-L1638 HydrophobicContact CD1-CD2 4.44Å; L1607-L1638 HydrophobicContact CD1-CD1 3.44Å; L1607-L1638 VanDerWaalsContact CD1-CD1 3.44Å; L1634-L1638 WeakPolarHBondContact O-CB 3.4Å; L1634-L1638 PolarHBondContact O-N 3.48Å; F1636-L1638 VanDerWaalsContact C-N 3.33Å; F1636-L1638 PolarHBondContact O-N 2.97Å |
| 1639 | S | 40.9 | Very low | 45.8 | Very low | 82 Ų | 82 | 95.6 Ų | 95.6 | 57% | 0.573 | 46% | 0.46 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -94 | 11.6 | 179.9 | -57 | 0 | 0 | 0 | 0 | 113.4 | I1107 R1635 F1636 | I1107-S1639 WeakPolarHBondContact CD1-O 3.27Å; R1635-S1639 WeakPolarHBondContact O-CB 3.16Å; R1635-S1639 PolarHBondContact O-N 1.92Å; R1635-S1639 VanDerWaalsContact O-N 3.13Å; R1635-S1639 PolarHBondContact O-OG 3.44Å; F1636-S1639 PolarHBondContact O-N 3.31Å |
| 1640 | Y | 31.3 | Very low | 45 | Very low | 103 Ų | 103 | 94.5 Ų | 94.5 | 40% | 0.404 | 45% | 0.449 | S | S | . | . | | | trans | -130.5 | 0 | -149.9 | 149.1 | -86 | 0 | 0 | 0 | 114.6 | W1105 R1106 F1636 | W1105-Y1640 HydrophobicContact CB-CD2 4.22Å; W1105-Y1640 HydrophobicContact CB-CE1 4.13Å; W1105-Y1640 HydrophobicContact CB-CE2 3.76Å; W1105-Y1640 WeakPolarHBondContact O-CE2 3.49Å; W1105-Y1640 PolarHBondContact O-OH 2.89Å; R1106-Y1640 HydrophobicContact CB-CE2 4.44Å; R1106-Y1640 HydrophobicContact CG-CE2 4.1Å; F1636-Y1640 WeakPolarHBondContact O-CB 3.3Å |