| 1 | M | 38.5 | Very low | 39.2 | Very low | 232 Ų | 232 | 149.8 Ų | 149.8 | 100% | 1.143 | 83% | 0.825 | S | S | * | * | | | | 0 | 132.7 | 0 | -63.1 | 178.1 | -154.4 | 0 | 0 | 106.6 | | |
| 2 | K | 38.7 | Very low | 38.3 | Very low | 209 Ų | 209 | 149.8 Ų | 149.8 | 91% | 0.909 | 81% | 0.814 | S | S | * | * | | | | 45.5 | 123 | 97 | -61.4 | -175.5 | 176.9 | -179.3 | 0 | 111.9 | | |
| 3 | A | 39.4 | Very low | 37.7 | Very low | 83 Ų | 83 | 146.4 Ų | 146.4 | 69% | 0.686 | 81% | 0.808 | S | S | * | * | | | cis | -159.5 | 151.6 | 13.2 | 0 | 0 | 0 | 0 | 0 | 113.9 | | |
| 4 | I | 50.5 | Low | 37.1 | Very low | 144 Ų | 144 | 146.8 Ų | 146.8 | 74% | 0.738 | 80% | 0.801 | S | S | * | * | | | trans | 15.4 | 157.9 | 141.8 | 44.8 | 159.9 | 0 | 0 | 0 | 122 | | |
| 5 | F | 44.2 | Very low | 36.9 | Very low | 165 Ų | 165 | 143.9 Ų | 143.9 | 72% | 0.724 | 80% | 0.796 | S | S | * | * | | | cis | -161.5 | 152.3 | 18.1 | -133.1 | -55.7 | 0 | 0 | 0 | 112.5 | | |
| 6 | T | 39.2 | Very low | 36.5 | Very low | 130 Ų | 130 | 142.6 Ų | 142.6 | 80% | 0.798 | 79% | 0.787 | S | S | * | * | | | trans | 61.4 | 155.8 | 158.5 | 27.4 | 0 | 0 | 0 | 0 | 118 | | |
| 7 | G | 35.1 | Very low | 36.3 | Very low | 72 Ų | 72 | 145.3 Ų | 145.3 | 74% | 0.742 | 78% | 0.783 | S | S | * | * | | | cis | 132.2 | 137.5 | 8.8 | 0 | 0 | 0 | 0 | 0 | 109 | | |
| 8 | A | 34.8 | Very low | 36 | Very low | 111 Ų | 111 | 144.7 Ų | 144.7 | 92% | 0.917 | 78% | 0.78 | S | S | * | * | | | cis | -142.2 | -175.5 | 35.9 | 0 | 0 | 0 | 0 | 0 | 114.8 | | |
| 9 | L | 35.3 | Very low | 35.8 | Very low | 165 Ų | 165 | 140.6 Ų | 140.6 | 86% | 0.864 | 78% | 0.775 | S | S | * | * | | | trans | -121.7 | 161.5 | -170.5 | -172.4 | 67.8 | 0 | 0 | 0 | 112.3 | | |
| 10 | C | 38.6 | Very low | 35.7 | Very low | 95 Ų | 95 | 142.3 Ų | 142.3 | 64% | 0.642 | 78% | 0.781 | S | S | * | * | | | trans | -23.8 | 144.5 | 177.6 | -54.1 | 0 | 0 | 0 | 0 | 121.6 | | |
| 11 | R | 36.8 | Very low | 35.7 | Very low | 242 Ų | 242 | 142.4 Ų | 142.4 | 91% | 0.913 | 78% | 0.781 | S | S | * | * | | | trans | -133 | 133.7 | 131.8 | -60.2 | -67.5 | -175.8 | 156.3 | 0.5 | 105.5 | | |
| 12 | H | 28.1 | Very low | 35.3 | Very low | 150 Ų | 150 | 136.2 Ų | 136.2 | 69% | 0.694 | 76% | 0.761 | S | S | * | * | | | cis | 76.4 | 82.8 | 11.8 | -130.9 | -68.3 | 0 | 0 | 0 | 117 | E14 | H12-E14 IonicContact CE1-OE1 3.08Å; H12-E14 PolarHBondContact CE1-OE1 3.48Å; H12-E14 IonicContact ND1-OE1 3.01Å; H12-E14 PolarHBondContact ND1-OE1 3.26Å |
| 13 | S | 31.1 | Very low | 35.6 | Very low | 105 Ų | 105 | 135.3 Ų | 135.3 | 73% | 0.734 | 76% | 0.757 | S | S | * | * | | | trans | -168.8 | 114.6 | 135.6 | 52.9 | 0 | 0 | 0 | 0 | 109.3 | | |
| 14 | E | 28.6 | Very low | 35.7 | Very low | 152 Ų | 152 | 142.4 Ų | 142.4 | 71% | 0.71 | 77% | 0.766 | S | S | * | * | | | | 41.8 | 133.8 | 77.2 | 33.9 | -178 | 156.5 | 0 | 0 | 114.7 | H12 | H12-E14 IonicContact CE1-OE1 3.08Å; H12-E14 PolarHBondContact CE1-OE1 3.48Å; H12-E14 IonicContact ND1-OE1 3.01Å; H12-E14 PolarHBondContact ND1-OE1 3.26Å |
| 15 | S | 34.6 | Very low | 35.1 | Very low | 104 Ų | 104 | 141.1 Ų | 141.1 | 73% | 0.727 | 77% | 0.765 | S | S | * | * | | | cis | -145.4 | -157.1 | -1.4 | -151.1 | 0 | 0 | 0 | 0 | 108.7 | | |
| 16 | D | 30.3 | Very low | 35.2 | Very low | 123 Ų | 123 | 139 Ų | 139 | 66% | 0.658 | 77% | 0.765 | S | S | * | * | | | cis | -159.3 | 165.5 | 11.5 | -153.9 | 32.1 | 0 | 0 | 0 | 116.6 | | |
| 17 | R | 33.8 | Very low | 35.1 | Very low | 188 Ų | 188 | 140.8 Ų | 140.8 | 71% | 0.709 | 76% | 0.764 | S | S | * | * | | | trans | 29.1 | 133.6 | 155.2 | -78.4 | 171.4 | 90.8 | -132.3 | 8.7 | 124.4 | | |
| 18 | N | 31 | Very low | 35.8 | Very low | 135 Ų | 135 | 148.5 Ų | 148.5 | 72% | 0.722 | 77% | 0.771 | S | S | * | * | | | trans | 77.9 | 126.3 | 146.1 | -58.3 | -13 | 0 | 0 | 0 | 119 | | |
| 19 | G | 30.9 | Very low | 35.9 | Very low | 67 Ų | 67 | 146.4 Ų | 146.4 | 69% | 0.691 | 76% | 0.76 | S | S | * | * | | | cis | 169.2 | 176.1 | -8 | 0 | 0 | 0 | 0 | 0 | 114.6 | | |
| 20 | L | 35.2 | Very low | 36.4 | Very low | 173 Ų | 173 | 145 Ų | 145 | 91% | 0.906 | 76% | 0.762 | S | S | * | * | | | trans | 67.6 | 140 | 172 | -58.8 | 164.6 | 0 | 0 | 0 | 115.9 | | |
| 21 | N | 35.6 | Very low | 36.6 | Very low | 146 Ų | 146 | 148.3 Ų | 148.3 | 78% | 0.781 | 77% | 0.768 | S | S | * | * | | | cis | -156.1 | -156.4 | -14.7 | 59 | 32.4 | 0 | 0 | 0 | 111.7 | | |
| 22 | S | 30.4 | Very low | 37.1 | Very low | 101 Ų | 101 | 142.1 Ų | 142.1 | 71% | 0.706 | 76% | 0.757 | S | S | * | * | | | trans | -48.6 | 141 | -162.2 | -174.2 | 0 | 0 | 0 | 0 | 119.1 | | |
| 23 | K | 43.4 | Very low | 38 | Very low | 191 Ų | 191 | 143.5 Ų | 143.5 | 83% | 0.83 | 76% | 0.764 | S | S | * | * | | | trans | -29.4 | 148.6 | 148.4 | -60.6 | 167.2 | 177.2 | 170.8 | 0 | 115.8 | | |
| 24 | R | 41.6 | Very low | 38.4 | Very low | 232 Ų | 232 | 145 Ų | 145 | 88% | 0.875 | 76% | 0.764 | S | S | * | * | | | trans | 81.8 | 142.3 | 143.4 | -157.6 | -149.9 | -88.8 | -170.1 | -5.9 | 118 | | |
| 25 | T | 39.3 | Very low | 39.1 | Very low | 116 Ų | 116 | 144.9 Ų | 144.9 | 71% | 0.712 | 77% | 0.774 | S | S | * | * | | | trans | 96.7 | 136 | 151.1 | -21.9 | 0 | 0 | 0 | 0 | 115.8 | | |
| 26 | V | 45.7 | Very low | 39.5 | Very low | 121 Ų | 121 | 144.7 Ų | 144.7 | 73% | 0.733 | 77% | 0.768 | S | S | * | * | | | trans | -54.4 | 147.5 | 172.8 | -76.7 | 0 | 0 | 0 | 0 | 113.2 | | |
| 27 | H | 37.4 | Very low | 39.8 | Very low | 168 Ų | 168 | 147.3 Ų | 147.3 | 78% | 0.778 | 78% | 0.78 | S | S | * | * | | | | -162.4 | -177.9 | 108 | -128.4 | -115 | 0 | 0 | 0 | 114.4 | | |
| 28 | R | 49.9 | Very low | 40 | Very low | 234 Ų | 234 | 142.6 Ų | 142.6 | 88% | 0.883 | 78% | 0.776 | S | S | * | * | | | trans | -77.2 | 140.5 | -175.9 | -60.8 | 173.2 | 175.6 | 160.1 | -3 | 113.2 | | |
| 29 | G | 36.6 | Very low | 40 | Very low | 67 Ų | 67 | 145.5 Ų | 145.5 | 69% | 0.691 | 79% | 0.785 | S | S | * | * | | | trans | -169.7 | 137.7 | 156.8 | 0 | 0 | 0 | 0 | 0 | 106.7 | | |
| 30 | C | 46.5 | Very low | 40.2 | Very low | 135 Ų | 135 | 146.8 Ų | 146.8 | 91% | 0.912 | 78% | 0.783 | S | S | * | * | | | cis | 66.5 | 65.4 | 33.1 | -55.8 | 0 | 0 | 0 | 0 | 114.1 | | |
| 31 | H | 40.8 | Very low | 40.2 | Very low | 164 Ų | 164 | 145.1 Ų | 145.1 | 76% | 0.759 | 78% | 0.781 | S | S | * | * | | | trans | -152.6 | 139.4 | 135.9 | -144.2 | -100.9 | 0 | 0 | 0 | 111.9 | | |
| 32 | T | 48.2 | Very low | 40.4 | Very low | 113 Ų | 113 | 143.5 Ų | 143.5 | 69% | 0.693 | 78% | 0.781 | S | S | * | * | | | trans | -105.7 | 114.9 | 155.4 | 41.9 | 0 | 0 | 0 | 0 | 105.7 | | |
| 33 | E | 46.1 | Very low | 40.4 | Very low | 178 Ų | 178 | 143.7 Ų | 143.7 | 83% | 0.832 | 78% | 0.782 | S | S | * | * | | | trans | -93.9 | 98.4 | 178.4 | 56.7 | -161.9 | 166.4 | 0 | 0 | 110.7 | | |
| 34 | D | 39.9 | Very low | 40.4 | Very low | 137 Ų | 137 | 143.3 Ų | 143.3 | 73% | 0.733 | 79% | 0.785 | S | S | * | * | | | trans | -68 | 128.7 | 175.7 | -64.4 | -73.5 | 0 | 0 | 0 | 111.2 | V36 | D34-V36 HydrophobicContact CB-CG1 4.24Š|
| 35 | T | 43.5 | Very low | 40 | Very low | 149 Ų | 149 | 137 Ų | 137 | 91% | 0.914 | 78% | 0.777 | S | S | * | * | | | trans | -100.7 | 100.6 | 151.4 | -59.3 | 0 | 0 | 0 | 0 | 107.7 | | |
| 36 | V | 43.1 | Very low | 40 | Very low | 101 Ų | 101 | 139.1 Ų | 139.1 | 61% | 0.612 | 78% | 0.784 | S | S | * | * | | | trans | -65.3 | 138.6 | -168 | -75 | 0 | 0 | 0 | 0 | 115 | D34 | D34-V36 HydrophobicContact CB-CG1 4.24Š|
| 37 | I | 36.9 | Very low | 39.5 | Very low | 178 Ų | 178 | 138.9 Ų | 138.9 | 91% | 0.913 | 79% | 0.788 | S | S | * | * | | | | -128.6 | 111.3 | 129 | -45 | 177.2 | 0 | 0 | 0 | 105.9 | | |
| 38 | S | 37.4 | Very low | 39.8 | Very low | 89 Ų | 89 | 137.8 Ų | 137.8 | 62% | 0.622 | 79% | 0.793 | S | S | * | * | | | trans | -99.8 | 130.8 | -168.3 | -55.2 | 0 | 0 | 0 | 0 | 112.4 | | |
| 39 | E | 31.6 | Very low | 39 | Very low | 196 Ų | 196 | 131.7 Ų | 131.7 | 92% | 0.916 | 79% | 0.786 | S | S | * | * | | | trans | -138.5 | 98 | 138.7 | -164.5 | 168.3 | 111.8 | 0 | 0 | 109.9 | | |
| 40 | S | 35.6 | Very low | 39 | Very low | 93 Ų | 93 | 136.4 Ų | 136.4 | 65% | 0.65 | 79% | 0.79 | S | S | * | * | | | trans | -70 | 146.4 | 163.9 | -60.7 | 0 | 0 | 0 | 0 | 108 | | |
| 41 | T | 34 | Very low | 38.6 | Very low | 138 Ų | 138 | 136.1 Ų | 136.1 | 85% | 0.847 | 78% | 0.779 | S | S | * | * | | | | -166.5 | 146.6 | 74.9 | 29 | 0 | 0 | 0 | 0 | 113.3 | | |
| 42 | S | 40.7 | Very low | 38.4 | Very low | 112 Ų | 112 | 134.9 Ų | 134.9 | 78% | 0.783 | 78% | 0.778 | S | S | * | * | | | trans | -69.1 | 153.7 | 163.1 | 54.2 | 0 | 0 | 0 | 0 | 111.9 | | |
| 43 | S | 30.6 | Very low | 38 | Very low | 105 Ų | 105 | 135.2 Ų | 135.2 | 73% | 0.734 | 78% | 0.78 | S | S | * | * | | | trans | -145.6 | 128.1 | 149.3 | -164.4 | 0 | 0 | 0 | 0 | 112.1 | | |
| 44 | M | 42.5 | Very low | 37.5 | Very low | 183 Ų | 183 | 135.4 Ų | 135.4 | 90% | 0.901 | 78% | 0.778 | S | S | * | * | | | trans | -116.4 | 125.7 | 158.7 | -80.1 | -164.3 | 70.8 | 0 | 0 | 107.1 | | |
| 45 | S | 32.9 | Very low | 37.5 | Very low | 101 Ų | 101 | 134.4 Ų | 134.4 | 71% | 0.706 | 77% | 0.773 | S | S | * | * | | | trans | -139.1 | 107.8 | 171.8 | -65.2 | 0 | 0 | 0 | 0 | 110.2 | | |
| 46 | D | 40 | Very low | 37.3 | Very low | 160 Ų | 160 | 133.5 Ų | 133.5 | 86% | 0.856 | 76% | 0.762 | S | S | * | * | | | trans | -72.9 | 135 | 148.2 | -86.3 | -49.7 | 0 | 0 | 0 | 108.2 | | |
| 47 | S | 36.3 | Very low | 37.2 | Very low | 115 Ų | 115 | 135.1 Ų | 135.1 | 80% | 0.804 | 77% | 0.772 | S | S | * | * | | | trans | -160.3 | 143.5 | 165.1 | -80.5 | 0 | 0 | 0 | 0 | 111.5 | | |
| 48 | T | 42 | Very low | 37 | Very low | 146 Ų | 146 | 133 Ų | 133 | 90% | 0.896 | 76% | 0.762 | S | S | * | * | | | trans | -129.9 | 109.4 | -173.5 | 54 | 0 | 0 | 0 | 0 | 112.6 | | |
| 49 | S | 33.5 | Very low | 36.7 | Very low | 106 Ų | 106 | 134.2 Ų | 134.2 | 74% | 0.741 | 77% | 0.77 | S | S | * | * | | | trans | -166.3 | 141.3 | 164.8 | 54.8 | 0 | 0 | 0 | 0 | 107.2 | | |
| 50 | H | 36.7 | Very low | 36.9 | Very low | 165 Ų | 165 | 130.4 Ų | 130.4 | 76% | 0.764 | 77% | 0.765 | S | S | * | * | | | | 49.6 | 127.4 | 75.1 | -70 | 54.6 | 0 | 0 | 0 | 111.8 | | |
| 51 | D | 37.7 | Very low | 37.2 | Very low | 129 Ų | 129 | 131.9 Ų | 131.9 | 69% | 0.69 | 77% | 0.773 | S | S | * | * | | | cis | -150.5 | 177.6 | 20.2 | -124.9 | -51.5 | 0 | 0 | 0 | 116.3 | | |
| 52 | N | 37.1 | Very low | 36.9 | Very low | 138 Ų | 138 | 130.3 Ų | 130.3 | 74% | 0.738 | 77% | 0.767 | S | S | * | * | | | trans | -54.1 | 159.9 | -174 | -78.8 | -86.1 | 0 | 0 | 0 | 121 | | |
| 53 | V | 40.8 | Very low | 36.6 | Very low | 120 Ų | 120 | 131.7 Ų | 131.7 | 73% | 0.727 | 77% | 0.771 | S | S | * | * | | | trans | 90.7 | 137.9 | 133.9 | 150 | 0 | 0 | 0 | 0 | 123.1 | | |
| 54 | F | 34.1 | Very low | 36.9 | Very low | 182 Ų | 182 | 131.7 Ų | 131.7 | 80% | 0.798 | 78% | 0.778 | S | S | * | * | | | trans | 65.6 | 148.6 | 162.2 | -94.9 | -143.9 | 0 | 0 | 0 | 119.3 | | |
| 55 | L | 41 | Very low | 36.5 | Very low | 117 Ų | 117 | 127.8 Ų | 127.8 | 61% | 0.613 | 77% | 0.774 | S | S | * | * | | | cis | -163.4 | 172.7 | -26.2 | -127 | -166.2 | 0 | 0 | 0 | 110.1 | | |
| 56 | L | 38.8 | Very low | 36.8 | Very low | 130 Ų | 130 | 129.7 Ų | 129.7 | 68% | 0.681 | 78% | 0.776 | S | S | * | * | | | trans | 55.9 | 118.3 | 154.4 | -73.1 | 165 | 0 | 0 | 0 | 120.6 | | |
| 57 | T | 41.4 | Very low | 36.7 | Very low | 134 Ų | 134 | 130.4 Ų | 130.4 | 82% | 0.822 | 77% | 0.774 | S | S | * | * | | | | 164 | 76.7 | 125 | -63 | 0 | 0 | 0 | 0 | 105.3 | | |
| 58 | D | 31.9 | Very low | 36.7 | Very low | 135 Ų | 135 | 135.6 Ų | 135.6 | 72% | 0.722 | 78% | 0.777 | S | S | * | * | | | | 49.8 | 91 | 73.5 | -164.1 | 7 | 0 | 0 | 0 | 113.7 | | |
| 59 | S | 32.2 | Very low | 36.1 | Very low | 113 Ų | 113 | 134.2 Ų | 134.2 | 79% | 0.79 | 77% | 0.773 | S | S | * | * | | | trans | -172.9 | 122 | 146.9 | -85.2 | 0 | 0 | 0 | 0 | 111.4 | | |
| 60 | S | 35 | Very low | 36.6 | Very low | 116 Ų | 116 | 137.8 Ų | 137.8 | 81% | 0.811 | 78% | 0.782 | S | S | * | * | | | trans | -150.3 | 137.4 | 158.4 | -73.7 | 0 | 0 | 0 | 0 | 106.3 | | |
| 61 | P | 42.8 | Very low | 36.2 | Very low | 125 Ų | 125 | 135.4 Ų | 135.4 | 81% | 0.812 | 78% | 0.784 | S | S | * | * | | | | -154.2 | 167.5 | 102.9 | 39.7 | -22.8 | 0 | 0 | 0 | 116.2 | | |
| 62 | S | 27.6 | Very low | 36.1 | Very low | 104 Ų | 104 | 137.8 Ų | 137.8 | 73% | 0.727 | 79% | 0.792 | S | S | * | * | | | trans | 50.2 | 120.9 | 140.7 | -161 | 0 | 0 | 0 | 0 | 120.6 | | |
| 63 | V | 35 | Very low | 36.1 | Very low | 142 Ų | 142 | 137 Ų | 137 | 86% | 0.861 | 79% | 0.794 | S | S | * | * | | | | -164.2 | 162.7 | 90.9 | -87.1 | 0 | 0 | 0 | 0 | 110.5 | | |
| 64 | A | 35.7 | Very low | 35.9 | Very low | 105 Ų | 105 | 142 Ų | 142 | 87% | 0.868 | 80% | 0.8 | S | S | * | * | | | trans | -94.1 | 145.3 | -180 | 0 | 0 | 0 | 0 | 0 | 112.9 | | |
| 65 | A | 35 | Very low | 36.1 | Very low | 100 Ų | 100 | 141.4 Ų | 141.4 | 83% | 0.826 | 80% | 0.804 | S | S | * | * | | | trans | -151.4 | 108.8 | 161.4 | 0 | 0 | 0 | 0 | 0 | 109.9 | | |
| 66 | D | 38.6 | Very low | 35.7 | Very low | 142 Ų | 142 | 141.6 Ų | 141.6 | 76% | 0.759 | 81% | 0.81 | S | S | * | * | | | trans | -83.2 | 117.4 | 167.5 | 176.9 | 22.1 | 0 | 0 | 0 | 108.9 | | |
| 67 | Q | 38 | Very low | 36.1 | Very low | 174 Ų | 174 | 142.9 Ų | 142.9 | 81% | 0.813 | 82% | 0.823 | S | S | * | * | | | trans | -143.8 | 130.6 | 161.7 | -81.8 | -56.5 | -14.7 | 0 | 0 | 112 | | |
| 68 | R | 36.2 | Very low | 35.7 | Very low | 225 Ų | 225 | 139.6 Ų | 139.6 | 85% | 0.849 | 82% | 0.816 | S | S | * | * | | | trans | -79.1 | 134.4 | 168 | -60 | 173.7 | -178.4 | 172.8 | -0.7 | 109.2 | | |
| 69 | S | 29.6 | Very low | 36 | Very low | 117 Ų | 117 | 136.1 Ų | 136.1 | 82% | 0.818 | 80% | 0.802 | S | S | * | * | | | trans | -155.7 | 137.9 | 156.7 | -86.7 | 0 | 0 | 0 | 0 | 111.2 | | |
| 70 | L | 42.9 | Very low | 36.7 | Very low | 180 Ų | 180 | 135.7 Ų | 135.7 | 94% | 0.942 | 80% | 0.797 | S | S | * | * | | | trans | -74.8 | 135 | 174.3 | -62.4 | 92.8 | 0 | 0 | 0 | 109.5 | | |
| 71 | S | 29.8 | Very low | 37.1 | Very low | 115 Ų | 115 | 135 Ų | 135 | 80% | 0.804 | 78% | 0.784 | S | S | * | * | | | trans | -136.4 | 127.2 | 160.3 | 55.5 | 0 | 0 | 0 | 0 | 109.8 | | |
| 72 | Q | 35.2 | Very low | 37.3 | Very low | 180 Ų | 180 | 135.4 Ų | 135.4 | 84% | 0.841 | 78% | 0.775 | S | S | * | * | | | trans | -76.6 | 142.5 | -179.7 | -62.2 | 162 | -32.9 | 0 | 0 | 109.6 | R74 | Q72-R74 PolarHBondContact O-N 3.46Š|
| 73 | P | 37.7 | Very low | 38.4 | Very low | 121 Ų | 121 | 140.6 Ų | 140.6 | 79% | 0.786 | 78% | 0.778 | S | S | * | * | | | trans | -65.6 | 106.6 | 159.9 | 28.2 | -31.4 | 0 | 0 | 0 | 108.3 | L75 | P73-L75 PolarHBondContact O-N 2.83Å; P73-L75 VanDerWaalsContact O-N 3.15Å |
| 74 | R | 35.3 | Very low | 39.1 | Very low | 225 Ų | 225 | 140.8 Ų | 140.8 | 85% | 0.849 | 77% | 0.773 | S | S | * | * | | | trans | -49.7 | 119.4 | 177.3 | -108.6 | -175.8 | 175.9 | -154.9 | 0.8 | 110.2 | Q72 T76 | Q72-R74 PolarHBondContact O-N 3.46Å; R74-T76 VanDerWaalsContact C-N 3.3Å; R74-T76 PolarHBondContact O-N 3.16Å |
| 75 | L | 39.4 | Very low | 39.7 | Very low | 170 Ų | 170 | 140.4 Ų | 140.4 | 89% | 0.89 | 76% | 0.764 | S | S | * | * | | | trans | -75.1 | 85.5 | 166.9 | -67.8 | 179.9 | 0 | 0 | 0 | 109.3 | P73 V77 | P73-L75 PolarHBondContact O-N 2.83Å; P73-L75 VanDerWaalsContact O-N 3.15Å; L75-V77 PolarHBondContact O-N 2.85Å |
| 76 | T | 32.8 | Very low | 40.7 | Very low | 121 Ų | 121 | 144.6 Ų | 144.6 | 74% | 0.742 | 76% | 0.758 | S | S | * | * | | | trans | -66.3 | 115.3 | 163 | 33.2 | 0 | 0 | 0 | 0 | 109.1 | R74 G78 | R74-T76 VanDerWaalsContact C-N 3.3Å; R74-T76 PolarHBondContact O-N 3.16Å; T76-G78 PolarHBondContact O-N 2.97Å |
| 77 | V | 46.5 | Very low | 41.8 | Very low | 157 Ų | 157 | 147.9 Ų | 147.9 | 95% | 0.952 | 77% | 0.766 | S | S | * | * | | | trans | -66.6 | 100.7 | 171.4 | 176.1 | 0 | 0 | 0 | 0 | 108 | L75 | L75-V77 PolarHBondContact O-N 2.85Š|
| 78 | G | 33.3 | Very low | 43.6 | Very low | 65 Ų | 65 | 143.5 Ų | 143.5 | 67% | 0.67 | 75% | 0.747 | S | S | * | * | | | trans | -139.6 | 145.6 | 179.9 | 0 | 0 | 0 | 0 | 0 | 110.8 | T76 | T76-G78 PolarHBondContact O-N 2.97Š|
| 79 | S | 37.3 | Very low | 45.6 | Very low | 61 Ų | 61 | 135.1 Ų | 135.1 | 43% | 0.427 | 72% | 0.723 | S | S | . | * | | | trans | -46.3 | 139 | -158.4 | -153.6 | 0 | 0 | 0 | 0 | 116.2 | D81 | S79-D81 VanDerWaalsContact C-N 3.26Å; S79-D81 PolarHBondContact O-N 3.41Å; S79-D81 PolarHBondContact OG-OD2 3.3Å |
| 80 | P | 47.5 | Very low | 47.9 | Very low | 105 Ų | 105 | 134.6 Ų | 134.6 | 68% | 0.682 | 72% | 0.717 | S | S | * | * | G | 310 helix | trans | -60.6 | -26.7 | 176.2 | -24.4 | 35.1 | 0 | 0 | 0 | 115.5 | H82 R83 | P80-H82 PolarHBondContact O-N 3.09Å; P80-R83 PolarHBondContact O-N 2.79Å |
| 81 | D | 42.9 | Very low | 49.8 | Very low | 101 Ų | 101 | 130.3 Ų | 130.3 | 54% | 0.54 | 70% | 0.698 | S | S | . | * | G | 310 helix | trans | -61.1 | -20.4 | -163.9 | -59.7 | -66.7 | 0 | 0 | 0 | 115.5 | S79 | S79-D81 VanDerWaalsContact C-N 3.26Å; S79-D81 PolarHBondContact O-N 3.41Å; S79-D81 PolarHBondContact OG-OD2 3.3Å |
| 82 | H | 46.9 | Very low | 52.3 | Low | 134 Ų | 134 | 130 Ų | 130 | 62% | 0.62 | 68% | 0.684 | S | S | * | * | G | 310 helix | trans | -94.8 | 1.6 | -169.8 | -48.7 | -38.6 | 0 | 0 | 0 | 114.6 | P80 | P80-H82 PolarHBondContact O-N 3.09Š|
| 83 | R | 50.8 | Low | 54.7 | Low | 212 Ų | 212 | 125.4 Ų | 125.4 | 80% | 0.8 | 67% | 0.665 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -104.9 | -32.3 | 179.8 | -63.2 | -168.7 | -176 | -139.8 | 2.6 | 114.2 | P80 S85 | P80-R83 PolarHBondContact O-N 2.79Å; R83-S85 VanDerWaalsContact C-N 3.35Å; R83-S85 PolarHBondContact O-N 3.1Å |
| 84 | I | 50 | Low | 57 | Low | 146 Ų | 146 | 126.3 Ų | 126.3 | 75% | 0.749 | 65% | 0.653 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -77.6 | -12.2 | -175.5 | 40 | 172.6 | 0 | 0 | 0 | 114.9 | | |
| 85 | S | 47.6 | Very low | 59.3 | Low | 97 Ų | 97 | 121.9 Ų | 121.9 | 68% | 0.678 | 64% | 0.638 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -90.6 | -8.2 | 179.7 | 52.1 | 0 | 0 | 0 | 0 | 114.5 | R83 | R83-S85 VanDerWaalsContact C-N 3.35Å; R83-S85 PolarHBondContact O-N 3.1Å |
| 86 | R | 56.9 | Low | 61.4 | Low | 189 Ų | 189 | 117 Ų | 117 | 71% | 0.713 | 61% | 0.61 | S | S | * | * | S | Bend | trans | -82.2 | 126.6 | 170 | -57.9 | -174.1 | -164 | -174.5 | 2.7 | 108.9 | L88 | R86-L88 PolarHBondContact O-N 3.13Š|
| 87 | K | 61.7 | Low | 63.6 | Low | 211 Ų | 211 | 115.9 Ų | 115.9 | 92% | 0.917 | 60% | 0.598 | S | S | * | * | | | trans | -66.5 | 101.7 | 170.6 | -67.4 | -179.1 | -179.9 | 178.6 | 0 | 108.6 | | |
| 88 | L | 75.2 | Confident | 65 | Low | 81 Ų | 81 | 115.2 Ų | 115.2 | 42% | 0.424 | 58% | 0.578 | S | S | . | * | | | trans | -56.7 | 138.3 | 174.7 | -63.8 | 175.6 | 0 | 0 | 0 | 110 | R86 E92 I93 | R86-L88 PolarHBondContact O-N 3.13Å; L88-E92 HydrophobicContact CB-CB 4.49Å; L88-I93 HydrophobicContact CB-CD1 4.13Å; L88-I93 HydrophobicContact CB-CG1 3.71Å; L88-I93 HydrophobicContact CD1-CG1 4.34Å |
| 89 | S | 77.4 | Confident | 66.8 | Low | 49 Ų | 49 | 116.6 Ų | 116.6 | 34% | 0.343 | 57% | 0.573 | S | S | . | * | | | trans | -61.3 | 144.1 | 172.7 | 176.9 | 0 | 0 | 0 | 0 | 110.1 | V91 E92 I93 | S89-V91 PolarHBondContact O-N 3Å; S89-V91 PolarHBondContact OG-N 3.14Å; S89-E92 VanDerWaalsContact CB-OE2 3.27Å; S89-E92 WeakPolarHBondContact CB-OE2 3.3Å; S89-E92 PolarHBondContact N-OE2 3.04Å; S89-E92 WeakPolarHBondContact O-CB 3.43Å; S89-E92 PolarHBondContact O-N 3.29Å; S89-I93 WeakPolarHBondContact O-CG1 3.15Å; S89-I93 PolarHBondContact O-N 3.12Å |
| 90 | P | 79.2 | Confident | 68 | Low | 107 Ų | 107 | 120.8 Ų | 120.8 | 70% | 0.695 | 58% | 0.58 | S | S | * | * | H | α-helix | trans | -52.3 | -29.2 | 173.1 | -27.6 | 35.7 | 0 | 0 | 0 | 113.4 | Y94 | P90-Y94 PolarHBondContact O-N 3.09Å |
| 91 | V | 83.1 | Confident | 68.6 | Low | 90 Ų | 90 | 124.2 Ų | 124.2 | 55% | 0.545 | 58% | 0.579 | S | S | . | * | H | α-helix | trans | -66.5 | -51.5 | 172.9 | -178.5 | 0 | 0 | 0 | 0 | 110.8 | S89 I93 Y94 Y95 | S89-V91 PolarHBondContact O-N 3Å; S89-V91 PolarHBondContact OG-N 3.14Å; V91-I93 VanDerWaalsContact C-N 3.3Å; V91-I93 PolarHBondContact O-N 3.16Å; V91-Y94 WeakPolarHBondContact O-CB 3.07Å; V91-Y94 PolarHBondContact O-N 3.23Å; V91-Y94 VanDerWaalsContact O-N 3.08Å; V91-Y95 HydrophobicContact CG1-CD2 3.83Å; V91-Y95 HydrophobicContact CG1-CE2 3.77Å; V91-Y95 VanDerWaalsContact O-CD2 3.31Å; V91-Y95 WeakPolarHBondContact O-CD2 3.47Å; V91-Y95 PolarHBondContact O-N 3.31Å |
| 92 | E | 81.2 | Confident | 69.1 | Low | 107 Ų | 107 | 126.5 Ų | 126.5 | 50% | 0.5 | 59% | 0.592 | S | S | . | * | H | α-helix | trans | -59.1 | -41.9 | 179.2 | -66.2 | 171.2 | 126.6 | 0 | 0 | 111.5 | L88 S89 Y94 Y95 E96 | L88-E92 HydrophobicContact CB-CB 4.49Å; S89-E92 VanDerWaalsContact CB-OE2 3.27Å; S89-E92 WeakPolarHBondContact CB-OE2 3.3Å; S89-E92 PolarHBondContact N-OE2 3.04Å; S89-E92 WeakPolarHBondContact O-CB 3.43Å; S89-E92 PolarHBondContact O-N 3.29Å; E92-Y94 VanDerWaalsContact C-N 3.32Å; E92-Y94 PolarHBondContact O-N 3.47Å; E92-Y95 PolarHBondContact O-N 2.96Å; E92-Y95 VanDerWaalsContact O-N 3.17Å; E92-E96 WeakPolarHBondContact O-CB 3.37Å; E92-E96 PolarHBondContact O-N 3.41Å |
| 93 | I | 85.8 | Confident | 68.9 | Low | 85 Ų | 85 | 123.5 Ų | 123.5 | 44% | 0.436 | 59% | 0.586 | S | S | . | * | H | α-helix | trans | -60.1 | -40.8 | 175.6 | -62.3 | 169.4 | 0 | 0 | 0 | 111.1 | L88 S89 V91 E96 M97 | L88-I93 HydrophobicContact CB-CD1 4.13Å; L88-I93 HydrophobicContact CB-CG1 3.71Å; L88-I93 HydrophobicContact CD1-CG1 4.34Å; S89-I93 WeakPolarHBondContact O-CG1 3.15Å; S89-I93 PolarHBondContact O-N 3.12Å; V91-I93 VanDerWaalsContact C-N 3.3Å; V91-I93 PolarHBondContact O-N 3.16Å; I93-E96 PolarHBondContact O-N 3.46Å; I93-M97 VanDerWaalsContact O-CB 3.25Å; I93-M97 WeakPolarHBondContact O-CB 3.28Å; I93-M97 PolarHBondContact O-N 3.29Å |
| 94 | Y | 86.7 | Confident | 68.7 | Low | 139 Ų | 139 | 120.6 Ų | 120.6 | 55% | 0.545 | 59% | 0.591 | S | S | . | * | H | α-helix | trans | -64.5 | -43.6 | 174.7 | 176.9 | -103.8 | 0 | 0 | 0 | 112.1 | P90 V91 E92 M97 R98 | P90-Y94 PolarHBondContact O-N 3.09Å; V91-Y94 WeakPolarHBondContact O-CB 3.07Å; V91-Y94 PolarHBondContact O-N 3.23Å; V91-Y94 VanDerWaalsContact O-N 3.08Å; E92-Y94 VanDerWaalsContact C-N 3.32Å; E92-Y94 PolarHBondContact O-N 3.47Å; Y94-M97 PolarHBondContact O-N 3.05Å; Y94-R98 WeakPolarHBondContact O-CG 3.37Å; Y94-R98 PolarHBondContact O-N 2.73Å |
| 95 | Y | 83.3 | Confident | 68.7 | Low | 133 Ų | 133 | 119.5 Ų | 119.5 | 52% | 0.522 | 59% | 0.591 | S | S | . | * | H | α-helix | trans | -66.8 | -36.4 | 177.2 | -81.8 | -87.1 | 0 | 0 | 0 | 112.9 | V91 E92 R98 T99 | V91-Y95 HydrophobicContact CG1-CD2 3.83Å; V91-Y95 HydrophobicContact CG1-CE2 3.77Å; V91-Y95 VanDerWaalsContact O-CD2 3.31Å; V91-Y95 WeakPolarHBondContact O-CD2 3.47Å; V91-Y95 PolarHBondContact O-N 3.31Å; E92-Y95 PolarHBondContact O-N 2.96Å; E92-Y95 VanDerWaalsContact O-N 3.17Å; Y95-R98 VanDerWaalsContact CE1-NH1 3.33Å; Y95-R98 WeakPolarHBondContact O-CG 3.5Å; Y95-T99 PolarHBondContact O-N 3.48Å |
| 96 | E | 83.1 | Confident | 68.2 | Low | 68 Ų | 68 | 119.4 Ų | 119.4 | 32% | 0.318 | 59% | 0.591 | S | S | . | * | H | α-helix | trans | -66.8 | -45.4 | 173 | -166.6 | -177.6 | 170.8 | 0 | 0 | 111.4 | E92 I93 R98 T99 R100 | E92-E96 WeakPolarHBondContact O-CB 3.37Å; E92-E96 PolarHBondContact O-N 3.41Å; I93-E96 PolarHBondContact O-N 3.46Å; E96-R98 VanDerWaalsContact C-N 3.34Å; E96-R98 PolarHBondContact O-N 3.45Å; E96-T99 WeakPolarHBondContact O-CG2 3.19Å; E96-T99 PolarHBondContact O-N 3.04Å; E96-R100 HydrophobicContact CG-CG 4.29Å; E96-R100 WeakPolarHBondContact O-CB 3.39Å; E96-R100 WeakPolarHBondContact O-CG 3.38Å; E96-R100 PolarHBondContact O-N 3.41Å; E96-R100 IonicContact OE1-CZ 3.15Å; E96-R100 IonicContact OE1-NE 2.75Å; E96-R100 PolarHBondContact OE1-NE 3.33Å; E96-R100 IonicContact OE1-NH2 2.69Å; E96-R100 PolarHBondContact OE1-NH2 3.04Å |
| 97 | M | 80.3 | Confident | 67.6 | Low | 96 Ų | 96 | 116 Ų | 116 | 47% | 0.473 | 60% | 0.596 | S | S | . | * | H | α-helix | trans | -68 | -28.7 | -178.9 | -174.5 | 175.9 | 53.4 | 0 | 0 | 113.3 | I93 Y94 R101 | I93-M97 VanDerWaalsContact O-CB 3.25Å; I93-M97 WeakPolarHBondContact O-CB 3.28Å; I93-M97 PolarHBondContact O-N 3.29Å; Y94-M97 PolarHBondContact O-N 3.05Å; M97-R101 PolarHBondContact O-NH1 3.36Å |
| 98 | R | 74.5 | Confident | 66.7 | Low | 143 Ų | 143 | 112.4 Ų | 112.4 | 54% | 0.54 | 59% | 0.591 | S | S | . | * | H | α-helix | trans | -74.1 | -35.7 | 171 | 63.2 | -179.2 | -86.8 | -169.5 | -2.2 | 112.9 | Y94 Y95 E96 | Y94-R98 WeakPolarHBondContact O-CG 3.37Å; Y94-R98 PolarHBondContact O-N 2.73Å; Y95-R98 VanDerWaalsContact CE1-NH1 3.33Å; Y95-R98 WeakPolarHBondContact O-CG 3.5Å; E96-R98 VanDerWaalsContact C-N 3.34Å; E96-R98 PolarHBondContact O-N 3.45Å |
| 99 | T | 70.9 | Confident | 64.7 | Low | 94 Ų | 94 | 113.1 Ų | 113.1 | 58% | 0.577 | 60% | 0.603 | S | S | * | * | H | α-helix | trans | -78.7 | -36.3 | -178.2 | -160.1 | 0 | 0 | 0 | 0 | 112.7 | Y95 E96 R101 N102 | Y95-T99 PolarHBondContact O-N 3.48Å; E96-T99 WeakPolarHBondContact O-CG2 3.19Å; E96-T99 PolarHBondContact O-N 3.04Å; T99-R101 PolarHBondContact O-N 3.38Å; T99-N102 PolarHBondContact O-N 2.97Å |
| 100 | R | 63.9 | Low | 62.9 | Low | 149 Ų | 149 | 117 Ų | 117 | 56% | 0.562 | 63% | 0.627 | S | S | * | * | G | 310 helix | trans | -59 | -15.4 | 179.4 | -80.8 | -178 | 175.4 | -95.8 | 4.2 | 115.5 | E96 N102 | E96-R100 HydrophobicContact CG-CG 4.29Å; E96-R100 WeakPolarHBondContact O-CB 3.39Å; E96-R100 WeakPolarHBondContact O-CG 3.38Å; E96-R100 PolarHBondContact O-N 3.41Å; E96-R100 IonicContact OE1-CZ 3.15Å; E96-R100 IonicContact OE1-NE 2.75Å; E96-R100 PolarHBondContact OE1-NE 3.33Å; E96-R100 IonicContact OE1-NH2 2.69Å; E96-R100 PolarHBondContact OE1-NH2 3.04Å; R100-N102 VanDerWaalsContact C-N 3.29Å; R100-N102 PolarHBondContact O-N 3.13Å |
| 101 | R | 58.8 | Low | 60.9 | Low | 178 Ų | 178 | 117.9 Ų | 117.9 | 67% | 0.672 | 63% | 0.631 | S | S | * | * | G | 310 helix | trans | -73.4 | -14.3 | -179.4 | -73 | -174.3 | 172.5 | 91.6 | -8.2 | 114.7 | M97 T99 | M97-R101 PolarHBondContact O-NH1 3.36Å; T99-R101 PolarHBondContact O-N 3.38Å |
| 102 | N | 53.5 | Low | 58.9 | Low | 149 Ų | 149 | 121.2 Ų | 121.2 | 80% | 0.797 | 64% | 0.64 | S | S | * | * | G | 310 helix | trans | -110.7 | 15.1 | -176.6 | -72 | 1.2 | 0 | 0 | 0 | 114.2 | T99 R100 | T99-N102 PolarHBondContact O-N 2.97Å; R100-N102 VanDerWaalsContact C-N 3.29Å; R100-N102 PolarHBondContact O-N 3.13Å |
| 103 | S | 42.5 | Very low | 56.8 | Low | 71 Ų | 71 | 121 Ų | 121 | 50% | 0.497 | 65% | 0.651 | S | S | . | * | | | trans | -134.8 | 97.9 | -175.7 | -56.8 | 0 | 0 | 0 | 0 | 112.3 | T105 | S103-T105 PolarHBondContact O-N 3.34Š|
| 104 | V | 48.3 | Very low | 54.8 | Low | 150 Ų | 150 | 123.5 Ų | 123.5 | 91% | 0.909 | 66% | 0.664 | S | S | * | * | | | trans | -81 | 32.6 | -175.5 | -155.2 | 0 | 0 | 0 | 0 | 112.6 | | |
| 105 | T | 49 | Very low | 52.9 | Low | 123 Ų | 123 | 122.3 Ų | 122.3 | 76% | 0.755 | 67% | 0.673 | S | S | * | * | | | trans | -148.3 | 67 | -170.8 | 38.7 | 0 | 0 | 0 | 0 | 112 | S103 | S103-T105 PolarHBondContact O-N 3.34Š|
| 106 | S | 38.1 | Very low | 50.9 | Low | 95 Ų | 95 | 127.9 Ų | 127.9 | 66% | 0.664 | 69% | 0.693 | S | S | * | * | | | trans | -157 | 65.8 | 169.6 | -79.3 | 0 | 0 | 0 | 0 | 112.1 | V108 | S106-V108 PolarHBondContact O-N 3.28Š|
| 107 | S | 43.8 | Very low | 49.1 | Very low | 118 Ų | 118 | 130.4 Ų | 130.4 | 83% | 0.825 | 72% | 0.718 | S | S | * | * | | | trans | -80.8 | 94.4 | 175.8 | 54 | 0 | 0 | 0 | 0 | 111.6 | | |
| 108 | V | 41.6 | Very low | 47.3 | Very low | 135 Ų | 135 | 130 Ų | 130 | 82% | 0.818 | 73% | 0.73 | S | S | * | * | | | trans | -125.8 | 86.2 | 165.7 | -175.8 | 0 | 0 | 0 | 0 | 108.6 | S106 | S106-V108 PolarHBondContact O-N 3.28Š|
| 109 | S | 34.2 | Very low | 45.4 | Very low | 97 Ų | 97 | 128.3 Ų | 128.3 | 68% | 0.678 | 74% | 0.74 | S | S | * | * | | | trans | -79 | 127.1 | 173.3 | -59.1 | 0 | 0 | 0 | 0 | 109.9 | T111 | S109-T111 PolarHBondContact O-N 3.3Å; S109-T111 PolarHBondContact O-OG1 3.07Å |
| 110 | P | 40 | Very low | 44 | Very low | 131 Ų | 131 | 131.1 Ų | 131.1 | 85% | 0.851 | 75% | 0.752 | S | S | * | * | | | trans | -72.2 | 88.7 | 174.8 | -19.3 | 33.8 | 0 | 0 | 0 | 111.7 | H112 | P110-H112 PolarHBondContact O-N 2.95Š|
| 111 | T | 35.8 | Very low | 43.4 | Very low | 124 Ų | 124 | 129.7 Ų | 129.7 | 76% | 0.761 | 76% | 0.759 | S | S | * | * | | | trans | -73 | 95.1 | 178 | -41 | 0 | 0 | 0 | 0 | 110.5 | S109 S113 | S109-T111 PolarHBondContact O-N 3.3Å; S109-T111 PolarHBondContact O-OG1 3.07Å; T111-S113 VanDerWaalsContact C-N 3.31Å; T111-S113 PolarHBondContact O-N 3.06Å |
| 112 | H | 42.2 | Very low | 42.9 | Very low | 161 Ų | 161 | 130 Ų | 130 | 75% | 0.745 | 77% | 0.768 | S | S | * | * | | | trans | -74.8 | 79.1 | 178.8 | -173.8 | -75.2 | 0 | 0 | 0 | 111.6 | P110 L114 | P110-H112 PolarHBondContact O-N 2.95Å; H112-L114 PolarHBondContact O-N 3.28Å |
| 113 | S | 37.4 | Very low | 42.5 | Very low | 103 Ų | 103 | 126.2 Ų | 126.2 | 72% | 0.72 | 77% | 0.765 | S | S | * | * | | | trans | -68.6 | 111.3 | 171.7 | 52.9 | 0 | 0 | 0 | 0 | 110.7 | T111 | T111-S113 VanDerWaalsContact C-N 3.31Å; T111-S113 PolarHBondContact O-N 3.06Å |
| 114 | L | 42.8 | Very low | 43.2 | Very low | 137 Ų | 137 | 135 Ų | 135 | 72% | 0.717 | 79% | 0.787 | S | S | * | * | | | trans | -63.5 | 136.8 | 170.6 | -72.2 | 165.6 | 0 | 0 | 0 | 110.8 | H112 R116 | H112-L114 PolarHBondContact O-N 3.28Å; L114-R116 PolarHBondContact O-N 3.48Å |
| 115 | P | 46.2 | Very low | 43.2 | Very low | 113 Ų | 113 | 133.1 Ų | 133.1 | 73% | 0.734 | 78% | 0.781 | S | S | * | * | | | trans | -68 | 131.8 | 173.3 | 28.6 | -33.4 | 0 | 0 | 0 | 110.2 | S117 | P115-S117 PolarHBondContact O-N 2.99Š|
| 116 | R | 41.6 | Very low | 43.2 | Very low | 250 Ų | 250 | 133.8 Ų | 133.8 | 94% | 0.943 | 79% | 0.785 | S | S | * | * | | | trans | -77.4 | 103.1 | 169.3 | -75.5 | -175.9 | 170.4 | 98 | -5.5 | 109.3 | L114 | L114-R116 PolarHBondContact O-N 3.48Š|
| 117 | S | 44.8 | Very low | 43.7 | Very low | 121 Ų | 121 | 135 Ų | 135 | 85% | 0.846 | 79% | 0.79 | S | S | * | * | | | trans | -70.8 | 127.1 | 164.1 | -62.9 | 0 | 0 | 0 | 0 | 110 | P115 | P115-S117 PolarHBondContact O-N 2.99Š|
| 118 | A | 42.3 | Very low | 43.8 | Very low | 87 Ų | 87 | 133.8 Ų | 133.8 | 72% | 0.719 | 79% | 0.787 | S | S | * | * | | | trans | -113.5 | 161.1 | 168.5 | 0 | 0 | 0 | 0 | 0 | 109.9 | | |
| 119 | S | 35.6 | Very low | 44 | Very low | 108 Ų | 108 | 133.2 Ų | 133.2 | 76% | 0.755 | 78% | 0.784 | S | S | * | * | | | trans | 68.4 | 148.9 | -172.9 | 94.1 | 0 | 0 | 0 | 0 | 114.1 | | |
| 120 | N | 41.3 | Very low | 44.8 | Very low | 154 Ų | 154 | 134.1 Ų | 134.1 | 82% | 0.824 | 79% | 0.788 | S | S | * | * | | | cis | -142.4 | 174.5 | 4.6 | -129.4 | -2.1 | 0 | 0 | 0 | 112.6 | | |
| 121 | V | 52.5 | Low | 44.9 | Very low | 118 Ų | 118 | 135.6 Ų | 135.6 | 72% | 0.715 | 79% | 0.787 | S | S | * | * | | | trans | -74.7 | 159.2 | 179.4 | 68.3 | 0 | 0 | 0 | 0 | 112.7 | | |
| 122 | E | 47.4 | Very low | 45.4 | Very low | 185 Ų | 185 | 137.4 Ų | 137.4 | 86% | 0.864 | 79% | 0.792 | S | S | * | * | | | trans | 68.2 | 119.5 | 168.2 | -144.5 | 64 | -135.3 | 0 | 0 | 116.5 | | |
| 123 | G | 45.1 | Very low | 45.3 | Very low | 70 Ų | 70 | 134 Ų | 134 | 72% | 0.722 | 79% | 0.792 | S | S | * | * | | | trans | 154.5 | 81.2 | 172 | 0 | 0 | 0 | 0 | 0 | 118.1 | S125 | G123-S125 PolarHBondContact O-N 2.67Š|
| 124 | R | 57.4 | Low | 45.6 | Very low | 254 Ų | 254 | 141 Ų | 141 | 96% | 0.958 | 80% | 0.802 | S | S | * | * | | | trans | -31.7 | 119.2 | 166.6 | -62 | 164.5 | 167.3 | -173.9 | -5.3 | 115.9 | | |
| 125 | S | 47.6 | Very low | 45.5 | Very low | 112 Ų | 112 | 140.8 Ų | 140.8 | 78% | 0.783 | 81% | 0.807 | S | S | * | * | | | trans | -161.7 | 140.5 | 137.5 | 54.8 | 0 | 0 | 0 | 0 | 111.5 | G123 | G123-S125 PolarHBondContact O-N 2.67Š|
| 126 | V | 49.2 | Very low | 45.1 | Very low | 137 Ų | 137 | 139.7 Ų | 139.7 | 83% | 0.83 | 81% | 0.807 | S | S | * | * | | | trans | -112.1 | 119.1 | 176.8 | 175 | 0 | 0 | 0 | 0 | 108.4 | | |
| 127 | P | 49.8 | Very low | 45.3 | Very low | 120 Ų | 120 | 133.8 Ų | 133.8 | 78% | 0.779 | 80% | 0.801 | S | S | * | * | P | Polyproline II helix | trans | -71.7 | 134.4 | 165.6 | 30 | -31.8 | 0 | 0 | 0 | 109.6 | | |
| 128 | A | 45.8 | Very low | 45 | Very low | 93 Ų | 93 | 135.8 Ų | 135.8 | 77% | 0.769 | 80% | 0.801 | S | S | * | * | P | Polyproline II helix | trans | -69.7 | 148.4 | -165 | 0 | 0 | 0 | 0 | 0 | 114.7 | P130 | A128-P130 WeakPolarHBondContact O-CD 3.37Š|
| 129 | T | 44.7 | Very low | 44.7 | Very low | 122 Ų | 122 | 136.7 Ų | 136.7 | 75% | 0.748 | 80% | 0.802 | S | S | * | * | P | Polyproline II helix | trans | -74 | 122.8 | 168.3 | 36.3 | 0 | 0 | 0 | 0 | 111.3 | L131 | T129-L131 PolarHBondContact O-N 3.06Å; T129-L131 VanDerWaalsContact O-N 3.14Å |
| 130 | P | 51.7 | Low | 44.7 | Very low | 116 Ų | 116 | 137.8 Ų | 137.8 | 75% | 0.753 | 80% | 0.804 | S | S | * | * | | | trans | -76.3 | 98.9 | 166.6 | 30.3 | -31.6 | 0 | 0 | 0 | 109.5 | A128 L132 | A128-P130 WeakPolarHBondContact O-CD 3.37Å; P130-L132 PolarHBondContact O-N 2.91Å |
| 131 | L | 41.9 | Very low | 44.4 | Very low | 162 Ų | 162 | 137.5 Ų | 137.5 | 85% | 0.848 | 80% | 0.797 | S | S | * | * | | | trans | -69.3 | 93.4 | 170.1 | -71 | 177 | 0 | 0 | 0 | 109.9 | T129 A133 | T129-L131 PolarHBondContact O-N 3.06Å; T129-L131 VanDerWaalsContact O-N 3.14Å; L131-A133 PolarHBondContact O-N 3.21Å |
| 132 | L | 45 | Very low | 43.7 | Very low | 162 Ų | 162 | 137.3 Ų | 137.3 | 85% | 0.848 | 80% | 0.796 | S | S | * | * | | | trans | -66.9 | 112.4 | 171.1 | -77.5 | 170 | 0 | 0 | 0 | 110 | P130 R134 | P130-L132 PolarHBondContact O-N 2.91Å; L132-R134 PolarHBondContact O-N 2.94Å |
| 133 | A | 40.8 | Very low | 42.9 | Very low | 90 Ų | 90 | 137.5 Ų | 137.5 | 74% | 0.744 | 79% | 0.789 | S | S | * | * | | | trans | -62.9 | 129.5 | 178.3 | 0 | 0 | 0 | 0 | 0 | 111.3 | L131 T135 | L131-A133 PolarHBondContact O-N 3.21Å; A133-T135 PolarHBondContact O-N 3.39Å |
| 134 | R | 44.9 | Very low | 42.3 | Very low | 249 Ų | 249 | 139 Ų | 139 | 94% | 0.94 | 79% | 0.788 | S | S | * | * | | | trans | -82.9 | 95 | 176.6 | -65.3 | 173.5 | 75.1 | 145.9 | 0.6 | 109.8 | L132 | L132-R134 PolarHBondContact O-N 2.94Š|
| 135 | T | 39 | Very low | 41.1 | Very low | 133 Ų | 133 | 133.6 Ų | 133.6 | 82% | 0.816 | 78% | 0.779 | S | S | * | * | | | trans | -116.3 | 88.6 | 164.4 | 53.7 | 0 | 0 | 0 | 0 | 110 | A133 | A133-T135 PolarHBondContact O-N 3.39Š|
| 136 | A | 38.2 | Very low | 40.6 | Very low | 90 Ų | 90 | 135.1 Ų | 135.1 | 74% | 0.744 | 78% | 0.783 | S | S | * | * | P | Polyproline II helix | trans | -76 | 148.7 | 166 | 0 | 0 | 0 | 0 | 0 | 109.9 | | |
| 137 | P | 47.3 | Very low | 39.9 | Very low | 127 Ų | 127 | 134.2 Ų | 134.2 | 83% | 0.825 | 78% | 0.783 | S | S | * | * | P | Polyproline II helix | trans | -68.4 | 142.8 | -179.2 | 28.3 | -34.8 | 0 | 0 | 0 | 112 | S139 | P137-S139 PolarHBondContact O-N 3.35Š|
| 138 | I | 37.3 | Very low | 39.2 | Very low | 162 Ų | 162 | 132.1 Ų | 132.1 | 83% | 0.831 | 78% | 0.783 | S | S | * | * | P | Polyproline II helix | trans | -66.9 | 129.1 | 172 | -66.4 | 170.4 | 0 | 0 | 0 | 109.1 | V140 | I138-V140 PolarHBondContact O-N 3.43Š|
| 139 | S | 35.7 | Very low | 38.4 | Very low | 107 Ų | 107 | 133.3 Ų | 133.3 | 75% | 0.748 | 79% | 0.786 | S | S | * | * | | | trans | -75.8 | 111.4 | 172.7 | 39.7 | 0 | 0 | 0 | 0 | 110.9 | P137 H141 | P137-S139 PolarHBondContact O-N 3.35Å; S139-H141 PolarHBondContact O-N 3.08Å |
| 140 | V | 37 | Very low | 38 | Very low | 131 Ų | 131 | 135.5 Ų | 135.5 | 79% | 0.794 | 79% | 0.793 | S | S | * | * | | | trans | -70.7 | 94.1 | 167.4 | -84.4 | 0 | 0 | 0 | 0 | 110.1 | I138 V142 | I138-V140 PolarHBondContact O-N 3.43Å; V140-V142 VanDerWaalsContact C-N 3.35Å; V140-V142 PolarHBondContact O-N 3.02Å |
| 141 | H | 34.1 | Very low | 37.2 | Very low | 147 Ų | 147 | 133.9 Ų | 133.9 | 68% | 0.681 | 80% | 0.797 | S | S | * | * | | | trans | -75.2 | 84.9 | 173.1 | -177 | 77.5 | 0 | 0 | 0 | 110.2 | S139 R143 | S139-H141 PolarHBondContact O-N 3.08Å; H141-R143 PolarHBondContact O-N 3.14Å |
| 142 | V | 37.2 | Very low | 37.1 | Very low | 115 Ų | 115 | 133.1 Ų | 133.1 | 70% | 0.697 | 79% | 0.793 | S | S | * | * | | | trans | -74.1 | 107.1 | 170.1 | 179.1 | 0 | 0 | 0 | 0 | 108.6 | V140 | V140-V142 VanDerWaalsContact C-N 3.35Å; V140-V142 PolarHBondContact O-N 3.02Å |
| 143 | R | 32 | Very low | 36.8 | Very low | 189 Ų | 189 | 133.4 Ų | 133.4 | 71% | 0.713 | 79% | 0.788 | S | S | * | * | | | trans | -73 | 131.3 | 157.8 | -82.4 | -174.1 | 160.4 | 130.9 | -4.3 | 108.7 | H141 | H141-R143 PolarHBondContact O-N 3.14Š|
| 144 | S | 31.7 | Very low | 36.4 | Very low | 100 Ų | 100 | 137 Ų | 137 | 70% | 0.699 | 79% | 0.789 | S | S | * | * | | | trans | -107.1 | 92.1 | 168.2 | -64.3 | 0 | 0 | 0 | 0 | 108.1 | T146 | S144-T146 PolarHBondContact O-N 2.87Å; S144-T146 VanDerWaalsContact O-N 3.13Å |
| 145 | D | 32.4 | Very low | 35.6 | Very low | 142 Ų | 142 | 136.1 Ų | 136.1 | 76% | 0.759 | 79% | 0.786 | S | S | * | * | | | trans | -75.2 | 100.4 | 178.7 | -66.5 | -47.5 | 0 | 0 | 0 | 110.2 | S147 | D145-S147 PolarHBondContact O-N 3.3Å; D145-S147 VanDerWaalsContact O-N 3.1Å |
| 146 | T | 38 | Very low | 35.4 | Very low | 144 Ų | 144 | 135.3 Ų | 135.3 | 88% | 0.883 | 79% | 0.785 | S | S | * | * | | | trans | -81.1 | 84.2 | 176.3 | 53.8 | 0 | 0 | 0 | 0 | 110.9 | S144 | S144-T146 PolarHBondContact O-N 2.87Å; S144-T146 VanDerWaalsContact O-N 3.13Å |
| 147 | S | 33.2 | Very low | 34.9 | Very low | 117 Ų | 117 | 134.9 Ų | 134.9 | 82% | 0.818 | 79% | 0.79 | S | S | * | * | | | trans | -103.5 | 115.7 | 166.2 | -169.6 | 0 | 0 | 0 | 0 | 110 | D145 | D145-S147 PolarHBondContact O-N 3.3Å; D145-S147 VanDerWaalsContact O-N 3.1Å |
| 148 | G | 34.4 | Very low | 33.9 | Very low | 76 Ų | 76 | 134.1 Ų | 134.1 | 78% | 0.784 | 79% | 0.787 | S | S | * | * | | | trans | -93 | 137.8 | 177.7 | 0 | 0 | 0 | 0 | 0 | 111.9 | | |
| 149 | S | 30.2 | Very low | 33.9 | Very low | 119 Ų | 119 | 134 Ų | 134 | 83% | 0.832 | 79% | 0.788 | S | S | * | * | | | trans | -143.3 | 143.3 | 164.4 | -171 | 0 | 0 | 0 | 0 | 110 | | |
| 150 | N | 36 | Very low | 33.6 | Very low | 168 Ų | 168 | 135.2 Ų | 135.2 | 90% | 0.898 | 79% | 0.786 | S | S | * | * | | | trans | -94 | 140.8 | -170.2 | -58 | -51.9 | 0 | 0 | 0 | 111.2 | | |
| 151 | G | 34.7 | Very low | 33.5 | Very low | 81 Ų | 81 | 134.8 Ų | 134.8 | 84% | 0.835 | 78% | 0.783 | S | S | * | * | | | trans | -151.6 | 144.7 | 175.1 | 0 | 0 | 0 | 0 | 0 | 111 | | |
| 152 | L | 39.6 | Very low | 34.1 | Very low | 147 Ų | 147 | 133.1 Ų | 133.1 | 77% | 0.77 | 79% | 0.786 | S | S | * | * | | | trans | -142.4 | 134.4 | -162.8 | -163.9 | 82 | 0 | 0 | 0 | 112 | | |
| 153 | K | 39.5 | Very low | 33.9 | Very low | 168 Ų | 168 | 135.6 Ų | 135.6 | 73% | 0.73 | 78% | 0.784 | S | S | * | * | | | trans | 66.8 | 173.4 | 178 | -33.8 | -171.5 | -169.8 | -65.6 | 0 | 112.7 | | |
| 154 | Q | 31.1 | Very low | 33.9 | Very low | 165 Ų | 165 | 134.5 Ų | 134.5 | 77% | 0.771 | 79% | 0.788 | S | S | * | * | | | cis | -148.4 | 169.9 | 0.1 | -153.7 | 155.4 | -76.8 | 0 | 0 | 112.4 | | |
| 155 | W | 28.9 | Very low | 34.1 | Very low | 231 Ų | 231 | 134 Ų | 134 | 88% | 0.875 | 78% | 0.777 | S | S | * | * | | | trans | -59.8 | 150.1 | -172.5 | -66.2 | 47.2 | 0 | 0 | 0 | 118.3 | | |
| 156 | S | 34.3 | Very low | 34.2 | Very low | 115 Ų | 115 | 133.4 Ų | 133.4 | 80% | 0.804 | 78% | 0.781 | S | S | * | * | | | trans | 49.6 | 140.5 | 133.7 | -52.4 | 0 | 0 | 0 | 0 | 123.5 | | |
| 157 | G | 27.4 | Very low | 34 | Very low | 81 Ų | 81 | 134 Ų | 134 | 84% | 0.835 | 78% | 0.778 | S | S | * | * | | | trans | 163.4 | 127.4 | 155.5 | 0 | 0 | 0 | 0 | 0 | 116.3 | | |
| 158 | S | 28.2 | Very low | 33.8 | Very low | 111 Ų | 111 | 132.9 Ų | 132.9 | 78% | 0.776 | 78% | 0.776 | S | S | * | * | | | trans | -96.1 | 152.1 | 177.5 | 176.8 | 0 | 0 | 0 | 0 | 112.6 | | |
| 159 | L | 35.6 | Very low | 33.5 | Very low | 161 Ų | 161 | 138.4 Ų | 138.4 | 84% | 0.843 | 78% | 0.781 | S | S | * | * | | | | 173.7 | 171 | 128.3 | -92.7 | 166 | 0 | 0 | 0 | 115.7 | | |
| 160 | D | 31 | Very low | 33.5 | Very low | 132 Ų | 132 | 142 Ų | 142 | 71% | 0.706 | 79% | 0.785 | S | S | * | * | | | trans | -51.9 | 142.4 | -170.2 | -87.6 | -122.8 | 0 | 0 | 0 | 122 | | |
| 161 | V | 33.6 | Very low | 33.2 | Very low | 122 Ų | 122 | 137.3 Ų | 137.3 | 74% | 0.739 | 78% | 0.776 | S | S | * | * | | | | 30.6 | 146.5 | 104.8 | -175.9 | 0 | 0 | 0 | 0 | 119 | | |
| 162 | P | 46.6 | Very low | 32.9 | Very low | 112 Ų | 112 | 138.7 Ų | 138.7 | 73% | 0.727 | 77% | 0.773 | S | S | * | * | | | cis | -132.2 | 169.2 | -1.7 | 32.4 | -11.3 | 0 | 0 | 0 | 118.3 | | |
| 163 | Y | 32.9 | Very low | 32.3 | Very low | 167 Ų | 167 | 136.6 Ų | 136.6 | 66% | 0.655 | 77% | 0.771 | S | S | * | * | | | trans | 26.5 | 131.7 | 137.3 | -167.7 | -92.5 | 0 | 0 | 0 | 123 | I165 | Y163-I165 HydrophobicContact CE1-CG1 4.39Å; Y163-I165 HydrophobicContact CE2-CD1 3.82Å; Y163-I165 HydrophobicContact CE2-CG1 3.98Å; Y163-I165 VanDerWaalsContact OH-CD1 3.3Å; Y163-I165 WeakPolarHBondContact OH-CD1 3.16Å |
| 164 | M | 31.6 | Very low | 32 | Very low | 165 Ų | 165 | 133.8 Ų | 133.8 | 81% | 0.813 | 77% | 0.772 | S | S | * | * | | | trans | -155.9 | 155.9 | 134 | -106.4 | -52.4 | 152.4 | 0 | 0 | 114.1 | | |
| 165 | I | 36.2 | Very low | 32 | Very low | 90 Ų | 90 | 131 Ų | 131 | 46% | 0.462 | 76% | 0.762 | S | S | . | * | | | trans | -127.1 | 145.7 | 179.2 | -66.6 | -176.1 | 0 | 0 | 0 | 109.5 | Y163 L167 | Y163-I165 HydrophobicContact CE1-CG1 4.39Å; Y163-I165 HydrophobicContact CE2-CD1 3.82Å; Y163-I165 HydrophobicContact CE2-CG1 3.98Å; Y163-I165 VanDerWaalsContact OH-CD1 3.3Å; Y163-I165 WeakPolarHBondContact OH-CD1 3.16Å; I165-L167 HydrophobicContact CG2-CD1 3.91Å; I165-L167 HydrophobicContact CG2-CG 4.41Å |
| 166 | P | 36.2 | Very low | 32.3 | Very low | 129 Ų | 129 | 128.7 Ų | 128.7 | 84% | 0.838 | 75% | 0.754 | S | S | * | * | | | trans | -109.5 | 144.9 | 140.8 | -12.4 | 31.2 | 0 | 0 | 0 | 113.2 | | |
| 167 | L | 32.8 | Very low | 32.3 | Very low | 157 Ų | 157 | 133 Ų | 133 | 82% | 0.822 | 75% | 0.752 | S | S | * | * | | | trans | -93.1 | 170.9 | -177.3 | -80.6 | 87.2 | 0 | 0 | 0 | 113.3 | I165 | I165-L167 HydrophobicContact CG2-CD1 3.91Å; I165-L167 HydrophobicContact CG2-CG 4.41Å |
| 168 | A | 29.5 | Very low | 32.4 | Very low | 94 Ų | 94 | 134.2 Ų | 134.2 | 78% | 0.777 | 75% | 0.748 | S | S | * | * | | | trans | 96.3 | 114.6 | 143.2 | 0 | 0 | 0 | 0 | 0 | 119.5 | | |
| 169 | Q | 28.2 | Very low | 32.6 | Very low | 191 Ų | 191 | 135 Ų | 135 | 89% | 0.893 | 75% | 0.752 | S | S | * | * | | | | -140.9 | 134.2 | 126.6 | -170.5 | 73.3 | 17.8 | 0 | 0 | 106.9 | | |
| 170 | E | 29.2 | Very low | 33.5 | Very low | 195 Ų | 195 | 132.7 Ų | 132.7 | 91% | 0.911 | 75% | 0.747 | S | S | * | * | | | trans | -91.2 | 159.7 | -173.9 | -117.6 | 178.9 | 141.9 | 0 | 0 | 113.2 | | |
| 171 | G | 29.7 | Very low | 33.6 | Very low | 70 Ų | 70 | 137.6 Ų | 137.6 | 72% | 0.722 | 76% | 0.757 | S | S | * | * | | | trans | 156.7 | 99.2 | 165.5 | 0 | 0 | 0 | 0 | 0 | 116.8 | | |
| 172 | S | 27.9 | Very low | 33.5 | Very low | 110 Ų | 110 | 135.7 Ų | 135.7 | 77% | 0.769 | 75% | 0.749 | S | S | * | * | | | trans | 28.7 | 116.9 | 150.3 | -78.3 | 0 | 0 | 0 | 0 | 120.3 | | |
| 173 | S | 28.5 | Very low | 33.1 | Very low | 103 Ų | 103 | 136.7 Ų | 136.7 | 72% | 0.72 | 76% | 0.759 | S | S | * | * | | | | 62.6 | 138 | 86.9 | 86.4 | 0 | 0 | 0 | 0 | 115.2 | | |
| 174 | S | 32 | Very low | 33.5 | Very low | 108 Ų | 108 | 139.3 Ų | 139.3 | 76% | 0.755 | 77% | 0.767 | S | S | * | * | | | cis | -163 | 157.7 | 18.4 | -145.4 | 0 | 0 | 0 | 0 | 113.4 | | |
| 175 | D | 31.8 | Very low | 34 | Very low | 106 Ų | 106 | 136.1 Ų | 136.1 | 57% | 0.567 | 77% | 0.768 | S | S | * | * | | | trans | 50.5 | 107.7 | 137.1 | -157.2 | 16.4 | 0 | 0 | 0 | 120.7 | | |
| 176 | R | 35.6 | Very low | 34.4 | Very low | 183 Ų | 183 | 142.2 Ų | 142.2 | 69% | 0.691 | 79% | 0.785 | S | S | * | * | | | | 169.8 | 124.5 | 105.4 | -86.4 | -68.3 | 158.8 | -177 | -19.6 | 114.9 | | |
| 177 | R | 33.4 | Very low | 34.8 | Very low | 206 Ų | 206 | 148 Ų | 148 | 78% | 0.777 | 79% | 0.79 | S | S | * | * | | | trans | 72.3 | 100.2 | 135 | -158.7 | -174 | -54.2 | -103.9 | 5 | 120.5 | | |
| 178 | S | 29.3 | Very low | 34.8 | Very low | 106 Ų | 106 | 144.6 Ų | 144.6 | 74% | 0.741 | 78% | 0.779 | S | S | * | * | | | trans | -62.6 | 155.6 | 156 | -39.4 | 0 | 0 | 0 | 0 | 113.5 | | |
| 179 | C | 33.6 | Very low | 35.7 | Very low | 129 Ų | 129 | 148.2 Ų | 148.2 | 87% | 0.872 | 79% | 0.786 | S | S | * | * | | | | 173.9 | 159 | 112 | -94 | 0 | 0 | 0 | 0 | 113.8 | | |
| 180 | P | 54.8 | Low | 36.2 | Very low | 112 Ų | 112 | 142.9 Ų | 142.9 | 73% | 0.727 | 77% | 0.769 | S | S | * | * | | | trans | -111.4 | 144.6 | -170.7 | 39.1 | -30.3 | 0 | 0 | 0 | 115.5 | | |
| 181 | Y | 32 | Very low | 37.3 | Very low | 235 Ų | 235 | 139.2 Ų | 139.2 | 92% | 0.922 | 77% | 0.765 | S | S | * | * | | | trans | -172.2 | 150.2 | 158.5 | -125.9 | -135.4 | 0 | 0 | 0 | 107.9 | | |
| 182 | S | 32.6 | Very low | 38.2 | Very low | 81 Ų | 81 | 143.3 Ų | 143.3 | 57% | 0.566 | 77% | 0.765 | S | S | * | * | | | cis | -154.6 | 153.4 | -6 | 54.8 | 0 | 0 | 0 | 0 | 110.9 | R184 | S182-R184 PolarHBondContact O-N 2.92Š|
| 183 | S | 37.2 | Very low | 39.3 | Very low | 134 Ų | 134 | 142.7 Ų | 142.7 | 94% | 0.937 | 77% | 0.767 | S | S | * | * | | | trans | -73.8 | 106.9 | 165.4 | -60 | 0 | 0 | 0 | 0 | 110.2 | | |
| 184 | R | 40.9 | Very low | 40.3 | Very low | 221 Ų | 221 | 146 Ų | 146 | 83% | 0.834 | 78% | 0.776 | S | S | * | * | | | trans | -126.9 | 111.1 | 165.5 | -166.3 | 169.5 | -171.1 | 166.6 | 4.3 | 111.5 | S182 R186 | S182-R184 PolarHBondContact O-N 2.92Å; R184-R186 PolarHBondContact O-N 3.4Å |
| 185 | A | 43.4 | Very low | 41.2 | Very low | 99 Ų | 99 | 148.5 Ų | 148.5 | 82% | 0.818 | 78% | 0.78 | S | S | * | * | | | trans | -59.6 | 122.4 | 178.5 | 0 | 0 | 0 | 0 | 0 | 111.7 | | |
| 186 | R | 43.7 | Very low | 41.9 | Very low | 217 Ų | 217 | 151.1 Ų | 151.1 | 82% | 0.819 | 79% | 0.794 | S | S | * | * | | | trans | -122.3 | 113.5 | 159.4 | -60.7 | -160.4 | 81.2 | -144.5 | 4.4 | 108.6 | R184 S188 | R184-R186 PolarHBondContact O-N 3.4Å; R186-S188 PolarHBondContact O-N 3.43Å |
| 187 | R | 43.5 | Very low | 42.3 | Very low | 250 Ų | 250 | 154.3 Ų | 154.3 | 94% | 0.943 | 81% | 0.806 | S | S | * | * | | | trans | -76.5 | 104 | 170.2 | -65.1 | 170.3 | 67.6 | -141.7 | 4.1 | 107.7 | | |
| 188 | S | 33.2 | Very low | 42.4 | Very low | 86 Ų | 86 | 150 Ų | 150 | 60% | 0.601 | 81% | 0.807 | S | S | * | * | | | trans | -128.2 | 126.1 | 167.7 | -72.9 | 0 | 0 | 0 | 0 | 109.5 | R186 | R186-S188 PolarHBondContact O-N 3.43Š|
| 189 | N | 48.9 | Very low | 42.8 | Very low | 171 Ų | 171 | 150.2 Ų | 150.2 | 91% | 0.914 | 81% | 0.809 | S | S | * | * | | | trans | -99.5 | 106.1 | 161.2 | 178.1 | 23.9 | 0 | 0 | 0 | 106.3 | | |
| 190 | S | 39.8 | Very low | 42.9 | Very low | 78 Ų | 78 | 152.4 Ų | 152.4 | 55% | 0.545 | 81% | 0.811 | S | S | . | * | | | trans | -151.7 | 123.6 | -177.1 | 48.5 | 0 | 0 | 0 | 0 | 108.7 | | |
| 191 | S | 50.8 | Low | 41.8 | Very low | 118 Ų | 118 | 152.9 Ų | 152.9 | 83% | 0.825 | 82% | 0.817 | S | S | * | * | | | trans | -106.4 | 66 | -164.3 | 55.3 | 0 | 0 | 0 | 0 | 111.9 | | |
| 192 | E | 48.8 | Very low | 41.8 | Very low | 156 Ų | 156 | 149.1 Ų | 149.1 | 73% | 0.729 | 81% | 0.813 | S | S | * | * | | | trans | -156.4 | 95.3 | -175 | 54.4 | -134.5 | 112.3 | 0 | 0 | 111.8 | | |
| 193 | A | 50.9 | Low | 41.8 | Very low | 98 Ų | 98 | 151.9 Ų | 151.9 | 81% | 0.81 | 82% | 0.817 | S | S | * | * | | | trans | -159.3 | 13.6 | -178.1 | 0 | 0 | 0 | 0 | 0 | 116.8 | | |
| 194 | L | 48.9 | Very low | 42.2 | Very low | 171 Ų | 171 | 151.2 Ų | 151.2 | 90% | 0.895 | 81% | 0.809 | S | S | * | * | S | Bend | trans | -132.8 | 26.8 | -168.7 | -71.6 | 178.2 | 0 | 0 | 0 | 115.8 | | |
| 195 | L | 51.8 | Low | 41.9 | Very low | 161 Ų | 161 | 143.2 Ų | 143.2 | 84% | 0.843 | 80% | 0.796 | S | S | * | * | S | Bend | trans | -125.8 | -11.4 | 177.6 | -67.5 | 175.3 | 0 | 0 | 0 | 115.8 | R197 | L195-R197 PolarHBondContact O-N 2.99Š|
| 196 | D | 46.1 | Very low | 42 | Very low | 161 Ų | 161 | 144.3 Ų | 144.3 | 86% | 0.861 | 79% | 0.794 | S | S | * | * | S | Bend | trans | -92.1 | 33.6 | -172.9 | -75.8 | -18.4 | 0 | 0 | 0 | 115.1 | | |
| 197 | R | 44.8 | Very low | 41.9 | Very low | 250 Ų | 250 | 145.1 Ų | 145.1 | 94% | 0.943 | 80% | 0.798 | S | S | * | * | S | Bend | trans | -143.2 | 52.1 | 175.5 | -79 | -160.5 | 165.7 | -170.8 | -5.8 | 114.9 | L195 | L195-R197 PolarHBondContact O-N 2.99Š|
| 198 | S | 35.8 | Very low | 41.4 | Very low | 115 Ų | 115 | 141.1 Ų | 141.1 | 80% | 0.804 | 80% | 0.795 | S | S | * | * | | | trans | -151.1 | 51.1 | 163 | 67.6 | 0 | 0 | 0 | 0 | 113.4 | | |
| 199 | S | 36.5 | Very low | 42.2 | Very low | 112 Ų | 112 | 140.4 Ų | 140.4 | 78% | 0.783 | 80% | 0.801 | S | S | * | * | | | trans | -130.4 | 87.7 | 170.3 | 46.9 | 0 | 0 | 0 | 0 | 111 | | |
| 200 | L | 37.2 | Very low | 42.1 | Very low | 175 Ų | 175 | 140.6 Ų | 140.6 | 92% | 0.916 | 80% | 0.799 | S | S | * | * | | | trans | -157.2 | 133.6 | 161.8 | -108.1 | 168 | 0 | 0 | 0 | 107.7 | | |
| 201 | S | 31.2 | Very low | 42.4 | Very low | 121 Ų | 121 | 142.2 Ų | 142.2 | 85% | 0.846 | 81% | 0.807 | S | S | * | * | | | trans | -82.4 | 147.9 | -178 | -52.3 | 0 | 0 | 0 | 0 | 111.9 | | |
| 202 | D | 32 | Very low | 42.3 | Very low | 156 Ų | 156 | 146.1 Ų | 146.1 | 83% | 0.834 | 81% | 0.812 | S | S | * | * | | | trans | -147.6 | 145.4 | 139.2 | -161.9 | 14.3 | 0 | 0 | 0 | 109.3 | | |
| 203 | E | 32.3 | Very low | 41.9 | Very low | 140 Ų | 140 | 150.6 Ų | 150.6 | 65% | 0.654 | 82% | 0.822 | S | S | * | * | | | trans | -152.5 | 123.6 | -179 | -162.3 | -81.3 | 143.6 | 0 | 0 | 109.3 | G205 | E203-G205 PolarHBondContact OE1-N 2.84Š|
| 204 | P | 44.6 | Very low | 41.2 | Very low | 119 Ų | 119 | 149.5 Ų | 149.5 | 77% | 0.773 | 82% | 0.821 | S | S | * | * | | | trans | -147.5 | 124.4 | 133.2 | 33 | -16 | 0 | 0 | 0 | 114.8 | | |
| 205 | G | 35.7 | Very low | 40.8 | Very low | 53 Ų | 53 | 145 Ų | 145 | 55% | 0.546 | 82% | 0.815 | S | S | . | * | | | trans | 121.8 | 99.2 | 145.3 | 0 | 0 | 0 | 0 | 0 | 116.1 | E203 | E203-G205 PolarHBondContact OE1-N 2.84Š|
| 206 | P | 46.1 | Very low | 40.6 | Very low | 122 Ų | 122 | 143.6 Ų | 143.6 | 79% | 0.792 | 82% | 0.816 | S | S | * | * | | | trans | -74 | 142.8 | 178.7 | 30.4 | -35.3 | 0 | 0 | 0 | 112.6 | | |
| 207 | R | 39.9 | Very low | 40 | Very low | 235 Ų | 235 | 146.6 Ų | 146.6 | 89% | 0.887 | 82% | 0.817 | S | S | * | * | | | trans | -133 | 100.8 | 166.9 | -66.9 | -168.9 | -178.5 | -155.7 | -0.2 | 111.6 | | |
| 208 | N | 34.4 | Very low | 40.1 | Very low | 166 Ų | 166 | 142.4 Ų | 142.4 | 89% | 0.888 | 81% | 0.806 | S | S | * | * | | | trans | 44.7 | 115.6 | 149.7 | -55.2 | -17.3 | 0 | 0 | 0 | 119 | | |
| 209 | G | 49.3 | Very low | 40.3 | Very low | 71 Ų | 71 | 142 Ų | 142 | 73% | 0.732 | 80% | 0.803 | S | S | * | * | | | | 143.1 | -13.5 | 118 | 0 | 0 | 0 | 0 | 0 | 120.9 | | |
| 210 | M | 46.8 | Very low | 40.6 | Very low | 175 Ų | 175 | 142.6 Ų | 142.6 | 86% | 0.862 | 81% | 0.807 | S | S | * | * | | | trans | -142.4 | 138.3 | 176.4 | -78 | -59.8 | -72.9 | 0 | 0 | 113.6 | | |
| 211 | P | 45.5 | Very low | 41.1 | Very low | 111 Ų | 111 | 143.2 Ų | 143.2 | 72% | 0.721 | 81% | 0.805 | S | S | * | * | | | trans | -83.9 | 143.9 | 178.9 | 33.5 | -34.7 | 0 | 0 | 0 | 112.7 | | |
| 212 | Q | 49.4 | Very low | 41.8 | Very low | 200 Ų | 200 | 143.1 Ų | 143.1 | 94% | 0.935 | 80% | 0.8 | S | S | * | * | | | trans | -91.2 | 102.1 | 167.4 | -71.3 | -156.4 | 13.2 | 0 | 0 | 112.1 | | |
| 213 | R | 40.8 | Very low | 42.3 | Very low | 250 Ų | 250 | 142.8 Ų | 142.8 | 94% | 0.943 | 80% | 0.797 | S | S | * | * | | | trans | -158.5 | 146.8 | 157.6 | -90.2 | -175.4 | -178.9 | -140.3 | 0.9 | 107.4 | | |
| 214 | G | 35.8 | Very low | 43.1 | Very low | 75 Ų | 75 | 143.4 Ų | 143.4 | 77% | 0.773 | 81% | 0.811 | S | S | * | * | | | cis | 150.7 | 115.4 | -5.6 | 0 | 0 | 0 | 0 | 0 | 111.4 | | |
| 215 | G | 40 | Very low | 42.9 | Very low | 76 Ų | 76 | 145.3 Ų | 145.3 | 78% | 0.784 | 81% | 0.814 | S | S | * | * | | | trans | 85.9 | 164.9 | 177.1 | 0 | 0 | 0 | 0 | 0 | 115.4 | | |
| 216 | P | 48 | Very low | 43 | Very low | 133 Ų | 133 | 145.5 Ų | 145.5 | 86% | 0.864 | 82% | 0.816 | S | S | * | * | | | trans | -94.3 | 142.3 | -171.5 | 35.5 | -33.4 | 0 | 0 | 0 | 113.1 | | |
| 217 | Y | 33.1 | Very low | 42.6 | Very low | 223 Ų | 223 | 150 Ų | 150 | 88% | 0.875 | 82% | 0.823 | S | S | * | * | | | trans | -137.9 | 156.6 | 169.6 | -142.6 | -101.6 | 0 | 0 | 0 | 114.6 | | |
| 218 | K | 48.2 | Very low | 42.8 | Very low | 162 Ų | 162 | 145.5 Ų | 145.5 | 70% | 0.704 | 82% | 0.816 | S | S | * | * | | | trans | -57.8 | 134.8 | -163.3 | -58.1 | -73 | -174.8 | 167.6 | 0 | 115.6 | | |
| 219 | S | 40.3 | Very low | 43.3 | Very low | 107 Ų | 107 | 146.7 Ų | 146.7 | 75% | 0.748 | 81% | 0.808 | S | S | * | * | | | trans | 27.7 | 129.2 | 138.2 | 59 | 0 | 0 | 0 | 0 | 120.9 | | |
| 220 | S | 42.2 | Very low | 42.6 | Very low | 125 Ų | 125 | 149.2 Ų | 149.2 | 87% | 0.874 | 80% | 0.801 | S | S | * | * | | | trans | -147.9 | 106.7 | 151.3 | -72.5 | 0 | 0 | 0 | 0 | 111 | | |
| 221 | E | 47.3 | Very low | 42.2 | Very low | 188 Ų | 188 | 147.5 Ų | 147.5 | 88% | 0.879 | 79% | 0.793 | S | S | * | * | | | trans | -93.6 | 131.7 | 159.5 | 168.5 | -166.6 | 114.5 | 0 | 0 | 106.6 | | |
| 222 | T | 46.2 | Very low | 41.6 | Very low | 119 Ų | 119 | 149.9 Ų | 149.9 | 73% | 0.73 | 80% | 0.795 | S | S | * | * | | | trans | -175.5 | 143.7 | 155.5 | 10.9 | 0 | 0 | 0 | 0 | 113.9 | | |
| 223 | L | 42.3 | Very low | 41.2 | Very low | 149 Ų | 149 | 147.9 Ų | 147.9 | 78% | 0.78 | 79% | 0.79 | S | S | * | * | | | trans | 58.4 | 95.6 | 145.7 | -61.4 | 168.9 | 0 | 0 | 0 | 120.9 | | |
| 224 | T | 50.4 | Low | 40.6 | Very low | 152 Ų | 152 | 139.8 Ų | 139.8 | 93% | 0.933 | 79% | 0.785 | S | S | * | * | | | | -135.2 | 96.5 | 126.1 | 56.3 | 0 | 0 | 0 | 0 | 109.6 | | |
| 225 | D | 39.7 | Very low | 40.6 | Very low | 160 Ų | 160 | 141 Ų | 141 | 86% | 0.856 | 78% | 0.781 | S | S | * | * | | | trans | -114.4 | 162.5 | 170 | 177.7 | 39 | 0 | 0 | 0 | 109.8 | | |
| 226 | G | 37.9 | Very low | 40.9 | Very low | 56 Ų | 56 | 143.6 Ų | 143.6 | 58% | 0.577 | 78% | 0.784 | S | S | * | * | | | trans | 97.7 | 61.5 | 148.4 | 0 | 0 | 0 | 0 | 0 | 118.1 | | |
| 227 | K | 37.6 | Very low | 40.2 | Very low | 217 Ų | 217 | 145.7 Ų | 145.7 | 94% | 0.943 | 78% | 0.783 | S | S | * | * | | | | -162.3 | 104.4 | 129.6 | -113.2 | 165.6 | -173.3 | 176.1 | 0 | 114.4 | | |
| 228 | L | 43.6 | Very low | 40.5 | Very low | 140 Ų | 140 | 140.9 Ų | 140.9 | 73% | 0.733 | 78% | 0.782 | S | S | * | * | | | trans | -114.6 | 110.4 | 167 | -176.9 | 164.3 | 0 | 0 | 0 | 109.4 | | |
| 229 | R | 46 | Very low | 39.7 | Very low | 191 Ų | 191 | 141.4 Ų | 141.4 | 72% | 0.721 | 79% | 0.786 | S | S | * | * | | | trans | -152.1 | 151.8 | 158.4 | -72.5 | -65.4 | 80.1 | -174.6 | 7.1 | 107.3 | | |
| 230 | Q | 33.2 | Very low | 39.1 | Very low | 125 Ų | 125 | 139.6 Ų | 139.6 | 58% | 0.584 | 79% | 0.785 | S | S | * | * | | | cis | -171.5 | 128.3 | -26.3 | 168.2 | 175.6 | -24.2 | 0 | 0 | 105.3 | | |
| 231 | I | 38.3 | Very low | 38.4 | Very low | 138 Ų | 138 | 139.9 Ų | 139.9 | 71% | 0.708 | 78% | 0.776 | S | S | * | * | | | trans | 21.7 | 112.3 | 153.5 | -43.6 | 163.3 | 0 | 0 | 0 | 117.3 | | |
| 232 | Q | 33.6 | Very low | 37.6 | Very low | 162 Ų | 162 | 137.2 Ų | 137.2 | 76% | 0.757 | 78% | 0.777 | S | S | * | * | | | | -164.1 | 159.2 | 120.5 | -155.3 | 54.5 | 22.7 | 0 | 0 | 111.3 | | |
| 233 | L | 40.2 | Very low | 36.8 | Very low | 157 Ų | 157 | 137 Ų | 137 | 82% | 0.822 | 78% | 0.781 | S | S | * | * | | | trans | -81.6 | 153.5 | 175.6 | -54.8 | 91.1 | 0 | 0 | 0 | 111.7 | | |
| 234 | G | 28.2 | Very low | 36.7 | Very low | 81 Ų | 81 | 136 Ų | 136 | 84% | 0.835 | 78% | 0.78 | S | S | * | * | | | trans | 175 | 107.5 | 167.7 | 0 | 0 | 0 | 0 | 0 | 114.4 | | |
| 235 | S | 36.2 | Very low | 35.9 | Very low | 100 Ų | 100 | 137.8 Ų | 137.8 | 70% | 0.699 | 78% | 0.778 | S | S | * | * | | | trans | -90.9 | 156.2 | 154.9 | -167.4 | 0 | 0 | 0 | 0 | 108.3 | | |
| 236 | P | 47.2 | Very low | 36.3 | Very low | 130 Ų | 130 | 138 Ų | 138 | 84% | 0.844 | 77% | 0.774 | S | S | * | * | | | | -143.9 | 179 | 105.7 | 38.7 | -24.5 | 0 | 0 | 0 | 114.6 | | |
| 237 | E | 31.6 | Very low | 36 | Very low | 178 Ų | 178 | 141.1 Ų | 141.1 | 83% | 0.832 | 79% | 0.787 | S | S | * | * | | | trans | -115 | 145.7 | -167.5 | -61.5 | 168 | 78 | 0 | 0 | 114.3 | | |
| 238 | S | 39.7 | Very low | 36.5 | Very low | 122 Ų | 122 | 140 Ų | 140 | 85% | 0.853 | 78% | 0.782 | S | S | * | * | | | trans | 71 | 172.3 | 139.6 | -148.5 | 0 | 0 | 0 | 0 | 122.7 | | |
| 239 | Q | 31.1 | Very low | 36.3 | Very low | 172 Ų | 172 | 142.6 Ų | 142.6 | 80% | 0.804 | 79% | 0.793 | S | S | * | * | | | trans | 73.7 | 136.5 | 168.7 | -155.4 | 159.7 | 31.7 | 0 | 0 | 117.5 | D241 | Q239-D241 PolarHBondContact NE2-OD2 3.49Š|
| 240 | G | 29.5 | Very low | 36.2 | Very low | 69 Ų | 69 | 143.8 Ų | 143.8 | 71% | 0.711 | 80% | 0.797 | S | S | * | * | | | cis | -167.5 | -158.1 | -4.7 | 0 | 0 | 0 | 0 | 0 | 108 | | |
| 241 | D | 27.6 | Very low | 36.6 | Very low | 131 Ų | 131 | 146.3 Ų | 146.3 | 70% | 0.701 | 81% | 0.814 | S | S | * | * | | | cis | -172 | 123.5 | -24.6 | -111.6 | -46.4 | 0 | 0 | 0 | 107.8 | Q239 | Q239-D241 PolarHBondContact NE2-OD2 3.49Š|
| 242 | C | 28.6 | Very low | 36.9 | Very low | 133 Ų | 133 | 144.4 Ų | 144.4 | 90% | 0.899 | 81% | 0.813 | S | S | * | * | | | trans | 173.3 | 148.8 | 168.8 | -101 | 0 | 0 | 0 | 0 | 111.3 | | |
| 243 | S | 29.5 | Very low | 37.6 | Very low | 115 Ų | 115 | 143.6 Ų | 143.6 | 80% | 0.804 | 82% | 0.819 | S | S | * | * | | | cis | -154.7 | 163.4 | -21.8 | -168.9 | 0 | 0 | 0 | 0 | 108.7 | | |
| 244 | V | 40.9 | Very low | 37.6 | Very low | 126 Ų | 126 | 140.2 Ų | 140.2 | 76% | 0.764 | 82% | 0.822 | S | S | * | * | | | trans | -102.2 | 134.1 | -169.4 | 172.2 | 0 | 0 | 0 | 0 | 112 | | |
| 245 | E | 34.3 | Very low | 38.1 | Very low | 190 Ų | 190 | 139.8 Ų | 139.8 | 89% | 0.888 | 82% | 0.817 | S | S | * | * | | | trans | -152.5 | 154 | 131.9 | -147.2 | 166.1 | -169.3 | 0 | 0 | 113.2 | | |
| 246 | Q | 46.8 | Very low | 38.6 | Very low | 164 Ų | 164 | 146.8 Ų | 146.8 | 77% | 0.766 | 83% | 0.828 | S | S | * | * | | | trans | -113 | 144.7 | 178.8 | -55.7 | 174.3 | 26.1 | 0 | 0 | 110 | | |
| 247 | S | 32.3 | Very low | 38.8 | Very low | 123 Ų | 123 | 144.5 Ų | 144.5 | 86% | 0.86 | 83% | 0.829 | S | S | * | * | | | trans | -139.1 | 116.2 | 158 | 52.9 | 0 | 0 | 0 | 0 | 112.3 | | |
| 248 | K | 47.8 | Very low | 40 | Very low | 194 Ų | 194 | 140.4 Ų | 140.4 | 84% | 0.843 | 83% | 0.825 | S | S | * | * | | | trans | -75 | 124.8 | 168 | -70.1 | 168.7 | 178 | 165.5 | 0 | 108.7 | | |
| 249 | M | 39.5 | Very low | 40.7 | Very low | 194 Ų | 194 | 140.3 Ų | 140.3 | 96% | 0.956 | 82% | 0.824 | S | S | * | * | | | trans | -133.3 | 154.7 | 147.8 | -72.9 | -154.9 | -179.2 | 0 | 0 | 111.2 | | |
| 250 | R | 43.8 | Very low | 42 | Very low | 216 Ų | 216 | 133.1 Ų | 133.1 | 82% | 0.815 | 80% | 0.796 | S | S | * | * | | | trans | -119.6 | 119 | -154.7 | 170.7 | -167.7 | -178.2 | -175 | 3 | 110.1 | | |
| 251 | L | 40.9 | Very low | 44.2 | Very low | 177 Ų | 177 | 132.2 Ų | 132.2 | 93% | 0.927 | 79% | 0.787 | S | S | * | * | | | trans | -122.6 | 111.2 | 161.2 | -71.8 | 178.5 | 0 | 0 | 0 | 109.6 | | |
| 252 | S | 45.6 | Very low | 46.6 | Very low | 98 Ų | 98 | 135 Ų | 135 | 69% | 0.685 | 79% | 0.789 | S | S | * | * | | | trans | -106 | 107.4 | 170.4 | -58.9 | 0 | 0 | 0 | 0 | 108.8 | | |
| 253 | V | 47.8 | Very low | 49.4 | Very low | 146 Ų | 146 | 134 Ų | 134 | 89% | 0.885 | 78% | 0.775 | S | S | * | * | | | trans | -123.6 | 128.6 | 156.3 | 178.5 | 0 | 0 | 0 | 0 | 106.3 | | |
| 254 | G | 41.1 | Very low | 52.3 | Low | 86 Ų | 86 | 133.9 Ų | 133.9 | 89% | 0.887 | 76% | 0.762 | S | S | * | * | | | trans | -78.7 | 132.4 | -165.5 | 0 | 0 | 0 | 0 | 0 | 114 | | |
| 255 | G | 38.3 | Very low | 54.7 | Low | 72 Ų | 72 | 133.7 Ų | 133.7 | 74% | 0.742 | 76% | 0.755 | S | S | * | * | | | trans | -168.9 | 77.9 | 173.9 | 0 | 0 | 0 | 0 | 0 | 110.1 | G257 | G255-G257 PolarHBondContact O-N 3.32Š|
| 256 | R | 46 | Very low | 57.4 | Low | 247 Ų | 247 | 127.8 Ų | 127.8 | 93% | 0.932 | 73% | 0.73 | S | S | * | * | | | trans | -17.5 | 111.2 | -170.8 | -68.6 | -179 | 179.9 | -88.4 | -1.1 | 114.6 | A258 | R256-A258 PolarHBondContact O-N 2.85Š|
| 257 | G | 53.2 | Low | 59.5 | Low | 82 Ų | 82 | 125.2 Ų | 125.2 | 85% | 0.845 | 72% | 0.719 | S | S | * | * | | | trans | -64.7 | 103 | 178.5 | 0 | 0 | 0 | 0 | 0 | 112.2 | G255 S259 | G255-G257 PolarHBondContact O-N 3.32Å; G257-S259 VanDerWaalsContact C-N 3.26Å; G257-S259 PolarHBondContact O-N 3.39Å; G257-S259 VanDerWaalsContact O-N 3.14Å |
| 258 | A | 54.9 | Low | 62.4 | Low | 92 Ų | 92 | 125.2 Ų | 125.2 | 76% | 0.76 | 71% | 0.709 | S | S | * | * | | | trans | -82.7 | 72.2 | 166 | 0 | 0 | 0 | 0 | 0 | 109.5 | R256 G260 | R256-A258 PolarHBondContact O-N 2.85Å; A258-G260 PolarHBondContact O-N 2.92Å; A258-G260 VanDerWaalsContact O-N 3.08Å |
| 259 | S | 55.5 | Low | 64.5 | Low | 120 Ų | 120 | 122.7 Ų | 122.7 | 84% | 0.839 | 70% | 0.696 | S | S | * | * | | | trans | -75.8 | 26.5 | 162.7 | -171.4 | 0 | 0 | 0 | 0 | 111.5 | G257 G261 | G257-S259 VanDerWaalsContact C-N 3.26Å; G257-S259 PolarHBondContact O-N 3.39Å; G257-S259 VanDerWaalsContact O-N 3.14Å; S259-G261 PolarHBondContact O-N 3.14Å |
| 260 | G | 59.3 | Low | 67 | Low | 20 Ų | 20 | 117.4 Ų | 117.4 | 21% | 0.206 | 67% | 0.67 | C | S | . | * | | | trans | -68.9 | 97 | 176 | 0 | 0 | 0 | 0 | 0 | 109.7 | A258 E264 | A258-G260 PolarHBondContact O-N 2.92Å; A258-G260 VanDerWaalsContact O-N 3.08Å; G260-E264 WeakPolarHBondContact CA-OE2 3.31Å |
| 261 | G | 73.9 | Confident | 69 | Low | 51 Ų | 51 | 115.7 Ų | 115.7 | 53% | 0.526 | 66% | 0.664 | S | S | . | * | | | trans | -55.3 | 161.6 | 167.5 | 0 | 0 | 0 | 0 | 0 | 110.4 | S259 N263 E264 | S259-G261 PolarHBondContact O-N 3.14Å; G261-N263 CarbonylContact O-C 3.56Å; G261-N263 PolarHBondContact O-N 2.93Å; G261-E264 PolarHBondContact O-N 3Å |
| 262 | Y | 79.6 | Confident | 71.2 | Confident | 189 Ų | 189 | 109 Ų | 109 | 74% | 0.741 | 64% | 0.638 | S | S | * | * | H | α-helix | trans | -40.9 | -26.4 | -173.9 | 177.5 | -97.7 | 0 | 0 | 0 | 116.5 | L266 | Y262-L266 HydrophobicContact CE1-CD2 4.3Å; Y262-L266 VanDerWaalsContact O-CB 3.31Å; Y262-L266 WeakPolarHBondContact O-CB 3.48Å; Y262-L266 PolarHBondContact O-N 3.49Å |
| 263 | N | 87.4 | Confident | 72.9 | Confident | 112 Ų | 112 | 109 Ų | 109 | 60% | 0.599 | 63% | 0.625 | S | S | * | * | H | α-helix | trans | -52.6 | -49.5 | 168.6 | -170.1 | -73.5 | 0 | 0 | 0 | 113.8 | G261 L266 M267 | G261-N263 CarbonylContact O-C 3.56Å; G261-N263 PolarHBondContact O-N 2.93Å; N263-L266 CarbonylContact O-C 3.59Å; N263-L266 WeakPolarHBondContact O-CB 3.39Å; N263-L266 PolarHBondContact O-N 3.37Å; N263-L266 VanDerWaalsContact O-N 3.11Å; N263-M267 WeakPolarHBondContact O-CG 3.45Å; N263-M267 PolarHBondContact O-N 2.86Å |
| 264 | E | 88.5 | Confident | 74.2 | Confident | 113 Ų | 113 | 107.9 Ų | 107.9 | 53% | 0.528 | 61% | 0.611 | S | S | . | * | H | α-helix | trans | -63.6 | -46.3 | -178.3 | -75 | -179.4 | -155.8 | 0 | 0 | 111.4 | G260 G261 L266 M267 D268 | G260-E264 WeakPolarHBondContact CA-OE2 3.31Å; G261-E264 PolarHBondContact O-N 3Å; E264-L266 PolarHBondContact O-N 3.07Å; E264-M267 PolarHBondContact O-N 3.26Å; E264-M267 VanDerWaalsContact O-N 3.14Å; E264-D268 PolarHBondContact O-N 2.92Å |
| 265 | L | 91.4 | Very high | 75.6 | Confident | 121 Ų | 121 | 109.6 Ų | 109.6 | 63% | 0.634 | 60% | 0.595 | S | S | * | * | H | α-helix | trans | -59.7 | -34.4 | 173.2 | -103.7 | 69.9 | 0 | 0 | 0 | 112.7 | Y269 | L265-Y269 WeakPolarHBondContact O-CB 3.19Å; L265-Y269 PolarHBondContact O-N 3.25Å |
| 266 | L | 92.7 | Very high | 76.9 | Confident | 67 Ų | 67 | 114.6 Ų | 114.6 | 35% | 0.351 | 59% | 0.592 | S | S | . | * | H | α-helix | trans | -70.9 | -39.8 | 175.9 | -179.6 | 61.9 | 0 | 0 | 0 | 111.5 | Y262 N263 E264 Y269 I270 | Y262-L266 HydrophobicContact CE1-CD2 4.3Å; Y262-L266 VanDerWaalsContact O-CB 3.31Å; Y262-L266 WeakPolarHBondContact O-CB 3.48Å; Y262-L266 PolarHBondContact O-N 3.49Å; N263-L266 CarbonylContact O-C 3.59Å; N263-L266 WeakPolarHBondContact O-CB 3.39Å; N263-L266 PolarHBondContact O-N 3.37Å; N263-L266 VanDerWaalsContact O-N 3.11Å; E264-L266 PolarHBondContact O-N 3.07Å; L266-Y269 PolarHBondContact O-N 3.26Å; L266-I270 HydrophobicContact CD1-CD1 4.15Å; L266-I270 HydrophobicContact CD1-CG1 4.44Å; L266-I270 HydrophobicContact CG-CD1 3.96Å; L266-I270 WeakPolarHBondContact O-CB 3.07Å; L266-I270 WeakPolarHBondContact O-CD1 3.31Å; L266-I270 WeakPolarHBondContact O-CG1 3.4Å; L266-I270 PolarHBondContact O-N 3.49Å |
| 267 | M | 90.7 | Very high | 77.7 | Confident | 110 Ų | 110 | 108.6 Ų | 108.6 | 54% | 0.542 | 58% | 0.576 | S | S | . | * | H | α-helix | trans | -67.8 | -44.7 | 176.4 | -67 | -60 | -72.7 | 0 | 0 | 111.5 | N263 E264 Y269 I270 W271 | N263-M267 WeakPolarHBondContact O-CG 3.45Å; N263-M267 PolarHBondContact O-N 2.86Å; E264-M267 PolarHBondContact O-N 3.26Å; E264-M267 VanDerWaalsContact O-N 3.14Å; M267-Y269 VanDerWaalsContact C-N 3.32Å; M267-Y269 PolarHBondContact O-N 3.24Å; M267-I270 PolarHBondContact O-N 2.77Å; M267-I270 HydrophobicContact SD-CD1 4.49Å; M267-W271 WeakPolarHBondContact O-CB 3.2Å; M267-W271 PolarHBondContact O-N 2.94Å |
| 268 | D | 91.6 | Very high | 78.1 | Confident | 122 Ų | 122 | 111.1 Ų | 111.1 | 65% | 0.652 | 57% | 0.566 | S | S | * | * | H | α-helix | trans | -59.2 | -41.8 | 171.8 | -90.6 | -0.6 | 0 | 0 | 0 | 111.7 | E264 W271 G272 | E264-D268 PolarHBondContact O-N 2.92Å; D268-W271 PolarHBondContact O-N 3.36Å; D268-G272 PolarHBondContact O-N 2.97Å |
| 269 | Y | 92.1 | Very high | 78.4 | Confident | 142 Ų | 142 | 111.1 Ų | 111.1 | 56% | 0.557 | 56% | 0.556 | S | S | * | * | H | α-helix | trans | -65.2 | -41.5 | 175.9 | 177.1 | -103.6 | 0 | 0 | 0 | 112.3 | L265 L266 M267 K273 | L265-Y269 WeakPolarHBondContact O-CB 3.19Å; L265-Y269 PolarHBondContact O-N 3.25Å; L266-Y269 PolarHBondContact O-N 3.26Å; M267-Y269 VanDerWaalsContact C-N 3.32Å; M267-Y269 PolarHBondContact O-N 3.24Å; Y269-K273 HydrophobicContact CD1-CG 4.43Å; Y269-K273 HydrophobicContact CD2-CG 4.41Å; Y269-K273 HydrophobicContact CE1-CG 4.23Å; Y269-K273 HydrophobicContact CE2-CD 4.5Å; Y269-K273 VanDerWaalsContact CE2-CE 3.43Å; Y269-K273 HydrophobicContact CE2-CG 4.2Å; Y269-K273 WeakPolarHBondContact O-CB 3.19Å; Y269-K273 WeakPolarHBondContact O-CG 3.33Å; Y269-K273 PolarHBondContact O-N 3.03Å; Y269-K273 WeakPolarHBondContact OH-CE 3.43Å; Y269-K273 PolarHBondContact OH-NZ 3.42Å |
| 270 | I | 91.9 | Very high | 78.6 | Confident | 82 Ų | 82 | 110.4 Ų | 110.4 | 42% | 0.421 | 54% | 0.54 | S | S | . | . | H | α-helix | trans | -64.5 | -47.3 | 175.9 | -71.9 | 163.3 | 0 | 0 | 0 | 110.4 | L266 M267 K273 Q274 | L266-I270 HydrophobicContact CD1-CD1 4.15Å; L266-I270 HydrophobicContact CD1-CG1 4.44Å; L266-I270 HydrophobicContact CG-CD1 3.96Å; L266-I270 WeakPolarHBondContact O-CB 3.07Å; L266-I270 WeakPolarHBondContact O-CD1 3.31Å; L266-I270 WeakPolarHBondContact O-CG1 3.4Å; L266-I270 PolarHBondContact O-N 3.49Å; M267-I270 PolarHBondContact O-N 2.77Å; M267-I270 HydrophobicContact SD-CD1 4.49Å; I270-K273 WeakPolarHBondContact O-CB 3.45Å; I270-K273 PolarHBondContact O-N 2.88Å; I270-Q274 WeakPolarHBondContact O-CB 3.46Å; I270-Q274 PolarHBondContact O-N 2.85Å |
| 271 | W | 86.9 | Confident | 78.6 | Confident | 181 Ų | 181 | 115.7 Ų | 115.7 | 69% | 0.686 | 56% | 0.558 | S | S | * | * | H | α-helix | trans | -65.7 | -47 | -179.1 | -160.8 | -104.2 | 0 | 0 | 0 | 111.8 | M267 D268 K273 Q274 Q275 | M267-W271 WeakPolarHBondContact O-CB 3.2Å; M267-W271 PolarHBondContact O-N 2.94Å; D268-W271 PolarHBondContact O-N 3.36Å; W271-K273 VanDerWaalsContact C-N 3.31Å; W271-K273 PolarHBondContact O-N 3.46Å; W271-Q274 PolarHBondContact O-N 2.86Å; W271-Q274 VanDerWaalsContact O-N 3.14Å; W271-Q275 PolarHBondContact O-N 3.28Å |
| 272 | G | 86.6 | Confident | 77.8 | Confident | 37 Ų | 37 | 119.8 Ų | 119.8 | 38% | 0.381 | 56% | 0.564 | S | S | . | * | H | α-helix | trans | -63.6 | -33.1 | 174.6 | 0 | 0 | 0 | 0 | 0 | 113.3 | D268 R276 | D268-G272 PolarHBondContact O-N 2.97Å; G272-R276 VanDerWaalsContact O-CB 3.28Å; G272-R276 WeakPolarHBondContact O-CB 3.47Å; G272-R276 PolarHBondContact O-N 2.83Å |
| 273 | K | 81.6 | Confident | 76.6 | Confident | 96 Ų | 96 | 116.4 Ų | 116.4 | 42% | 0.417 | 56% | 0.558 | S | S | . | * | H | α-helix | trans | -65.7 | -44.2 | 170.2 | -80.2 | -78.5 | -172 | 167.9 | 0 | 112 | Y269 I270 W271 R276 M277 | Y269-K273 HydrophobicContact CD1-CG 4.43Å; Y269-K273 HydrophobicContact CD2-CG 4.41Å; Y269-K273 HydrophobicContact CE1-CG 4.23Å; Y269-K273 HydrophobicContact CE2-CD 4.5Å; Y269-K273 VanDerWaalsContact CE2-CE 3.43Å; Y269-K273 HydrophobicContact CE2-CG 4.2Å; Y269-K273 WeakPolarHBondContact O-CB 3.19Å; Y269-K273 WeakPolarHBondContact O-CG 3.33Å; Y269-K273 PolarHBondContact O-N 3.03Å; Y269-K273 WeakPolarHBondContact OH-CE 3.43Å; Y269-K273 PolarHBondContact OH-NZ 3.42Å; I270-K273 WeakPolarHBondContact O-CB 3.45Å; I270-K273 PolarHBondContact O-N 2.88Å; W271-K273 VanDerWaalsContact C-N 3.31Å; W271-K273 PolarHBondContact O-N 3.46Å; K273-R276 PolarHBondContact O-N 2.79Å; K273-M277 WeakPolarHBondContact O-CG 3.46Å; K273-M277 PolarHBondContact O-N 2.95Å |
| 274 | Q | 74.4 | Confident | 74.9 | Confident | 123 Ų | 123 | 120 Ų | 120 | 58% | 0.575 | 57% | 0.565 | S | S | * | * | H | α-helix | trans | -64.2 | -44.9 | 179.5 | -172.1 | 167.4 | -0.9 | 0 | 0 | 111.2 | I270 W271 R276 M277 Q278 | I270-Q274 WeakPolarHBondContact O-CB 3.46Å; I270-Q274 PolarHBondContact O-N 2.85Å; W271-Q274 PolarHBondContact O-N 2.86Å; W271-Q274 VanDerWaalsContact O-N 3.14Å; Q274-R276 PolarHBondContact O-N 3.44Å; Q274-M277 PolarHBondContact O-N 3.29Å; Q274-Q278 PolarHBondContact O-N 2.96Å; Q274-Q278 VanDerWaalsContact O-N 3.07Å |
| 275 | Q | 70.6 | Confident | 73.2 | Confident | 122 Ų | 122 | 120.1 Ų | 120.1 | 57% | 0.57 | 57% | 0.565 | S | S | * | * | H | α-helix | trans | -62.8 | -42.1 | 175.2 | -163.7 | 176.9 | 18.2 | 0 | 0 | 111.9 | W271 M277 Q278 V279 | W271-Q275 PolarHBondContact O-N 3.28Å; Q275-M277 PolarHBondContact O-N 3.4Å; Q275-Q278 PolarHBondContact O-N 3.27Å; Q275-V279 PolarHBondContact O-N 3.4Å; Q275-V279 VanDerWaalsContact O-N 3.16Å |
| 276 | R | 66.3 | Low | 71.2 | Confident | 178 Ų | 178 | 117.6 Ų | 117.6 | 67% | 0.672 | 56% | 0.557 | S | S | * | * | H | α-helix | trans | -63.6 | -38 | 175 | -176.8 | 173.4 | 175.8 | 169.9 | 1 | 112.7 | G272 K273 Q274 Q278 V279 Q280 | G272-R276 VanDerWaalsContact O-CB 3.28Å; G272-R276 WeakPolarHBondContact O-CB 3.47Å; G272-R276 PolarHBondContact O-N 2.83Å; K273-R276 PolarHBondContact O-N 2.79Å; Q274-R276 PolarHBondContact O-N 3.44Å; R276-Q278 VanDerWaalsContact C-N 3.34Å; R276-V279 PolarHBondContact O-N 2.84Å; R276-Q280 WeakPolarHBondContact O-CB 3.39Å; R276-Q280 PolarHBondContact O-N 2.98Å |
| 277 | M | 63.4 | Low | 68.9 | Low | 121 Ų | 121 | 118.4 Ų | 118.4 | 60% | 0.596 | 57% | 0.565 | S | S | * | * | H | α-helix | trans | -63.5 | -39.7 | 174.2 | -76.1 | -64 | -171.7 | 0 | 0 | 111.7 | K273 Q274 Q275 Q280 H281 | K273-M277 WeakPolarHBondContact O-CG 3.46Å; K273-M277 PolarHBondContact O-N 2.95Å; Q274-M277 PolarHBondContact O-N 3.29Å; Q275-M277 PolarHBondContact O-N 3.4Å; M277-Q280 PolarHBondContact O-N 2.88Å; M277-H281 WeakPolarHBondContact O-CB 3.48Å; M277-H281 PolarHBondContact O-N 3.23Å |
| 278 | Q | 60.6 | Low | 66.7 | Low | 134 Ų | 134 | 115.2 Ų | 115.2 | 63% | 0.626 | 56% | 0.561 | S | S | * | * | H | α-helix | trans | -62.8 | -43.5 | 177.6 | -165.7 | 175.4 | 16.6 | 0 | 0 | 112.2 | Q274 Q275 R276 H281 Q282 | Q274-Q278 PolarHBondContact O-N 2.96Å; Q274-Q278 VanDerWaalsContact O-N 3.07Å; Q275-Q278 PolarHBondContact O-N 3.27Å; R276-Q278 VanDerWaalsContact C-N 3.34Å; Q278-H281 PolarHBondContact O-N 3.29Å; Q278-Q282 PolarHBondContact O-N 2.95Å |
| 279 | V | 61.5 | Low | 64.6 | Low | 92 Ų | 92 | 117.6 Ų | 117.6 | 56% | 0.558 | 56% | 0.56 | S | S | * | * | H | α-helix | trans | -64.5 | -43.3 | 174.3 | 176.2 | 0 | 0 | 0 | 0 | 111.4 | Q275 R276 H281 Q282 L283 | Q275-V279 PolarHBondContact O-N 3.4Å; Q275-V279 VanDerWaalsContact O-N 3.16Å; R276-V279 PolarHBondContact O-N 2.84Å; V279-H281 VanDerWaalsContact C-N 3.3Å; V279-H281 PolarHBondContact O-N 2.72Å; V279-Q282 PolarHBondContact O-N 2.85Å; V279-L283 PolarHBondContact O-N 3.11Å |
| 280 | Q | 59.3 | Low | 62.4 | Low | 106 Ų | 106 | 117.3 Ų | 117.3 | 50% | 0.495 | 57% | 0.567 | S | S | . | * | H | α-helix | trans | -64.4 | -34.9 | 177.2 | -174.1 | 169.6 | -18.8 | 0 | 0 | 112.1 | R276 M277 L283 Y284 | R276-Q280 WeakPolarHBondContact O-CB 3.39Å; R276-Q280 PolarHBondContact O-N 2.98Å; M277-Q280 PolarHBondContact O-N 2.88Å; Q280-L283 PolarHBondContact O-N 3.05Å; Q280-Y284 PolarHBondContact O-N 3.03Å |
| 281 | H | 59.1 | Low | 59.8 | Low | 130 Ų | 130 | 124.3 Ų | 124.3 | 60% | 0.602 | 59% | 0.589 | S | S | * | * | H | α-helix | trans | -70.4 | -36.9 | 176.3 | -151.5 | -100.1 | 0 | 0 | 0 | 112.1 | M277 Q278 V279 Y284 Q285 | M277-H281 WeakPolarHBondContact O-CB 3.48Å; M277-H281 PolarHBondContact O-N 3.23Å; Q278-H281 PolarHBondContact O-N 3.29Å; V279-H281 VanDerWaalsContact C-N 3.3Å; V279-H281 PolarHBondContact O-N 2.72Å; H281-Y284 PolarHBondContact O-N 2.77Å; H281-Q285 WeakPolarHBondContact O-CB 3.39Å; H281-Q285 WeakPolarHBondContact O-CG 3.49Å; H281-Q285 PolarHBondContact O-N 3.35Å |
| 282 | Q | 57.4 | Low | 57.7 | Low | 137 Ų | 137 | 122.9 Ų | 122.9 | 64% | 0.64 | 59% | 0.589 | S | S | * | * | H | α-helix | trans | -62.7 | -42.4 | 170.4 | -76.4 | -172.2 | -13.8 | 0 | 0 | 111.9 | Q278 V279 Y284 Q285 S286 | Q278-Q282 PolarHBondContact O-N 2.95Å; V279-Q282 PolarHBondContact O-N 2.85Å; Q282-Y284 PolarHBondContact O-N 3.25Å; Q282-Q285 PolarHBondContact O-N 3.01Å; Q282-S286 PolarHBondContact O-N 2.76Å |
| 283 | L | 54.3 | Low | 55.3 | Low | 118 Ų | 118 | 127.8 Ų | 127.8 | 62% | 0.618 | 61% | 0.607 | S | S | * | * | H | α-helix | trans | -60.9 | -46.1 | 177 | -157.2 | 78.5 | 0 | 0 | 0 | 111.1 | V279 Q280 Q285 S286 T287 | V279-L283 PolarHBondContact O-N 3.11Å; Q280-L283 PolarHBondContact O-N 3.05Å; L283-Q285 VanDerWaalsContact C-N 3.33Å; L283-Q285 PolarHBondContact O-N 3Å; L283-S286 PolarHBondContact O-N 3.37Å; L283-S286 VanDerWaalsContact O-N 3.13Å; L283-S286 PolarHBondContact O-OG 2.84Å; L283-T287 PolarHBondContact O-N 3.09Å; L283-T287 PolarHBondContact O-OG1 2.86Å |
| 284 | Y | 51.7 | Low | 53.2 | Low | 189 Ų | 189 | 132.3 Ų | 132.3 | 74% | 0.741 | 63% | 0.632 | S | S | * | * | H | α-helix | trans | -62.5 | -38 | 176.7 | -134.4 | -95.5 | 0 | 0 | 0 | 112.6 | Q280 H281 Q282 G288 | Q280-Y284 PolarHBondContact O-N 3.03Å; H281-Y284 PolarHBondContact O-N 2.77Å; Q282-Y284 PolarHBondContact O-N 3.25Å; Y284-G288 PolarHBondContact O-N 2.94Å |
| 285 | Q | 52.8 | Low | 51.3 | Low | 115 Ų | 115 | 131.7 Ų | 131.7 | 54% | 0.537 | 64% | 0.641 | S | S | . | * | H | α-helix | trans | -67.3 | -31.2 | 174.3 | -70.6 | -109.1 | 88.2 | 0 | 0 | 113 | H281 Q282 L283 | H281-Q285 WeakPolarHBondContact O-CB 3.39Å; H281-Q285 WeakPolarHBondContact O-CG 3.49Å; H281-Q285 PolarHBondContact O-N 3.35Å; Q282-Q285 PolarHBondContact O-N 3.01Å; L283-Q285 VanDerWaalsContact C-N 3.33Å; L283-Q285 PolarHBondContact O-N 3Å |
| 286 | S | 50.6 | Low | 49.4 | Very low | 67 Ų | 67 | 131.4 Ų | 131.4 | 47% | 0.469 | 65% | 0.652 | S | S | . | * | H | α-helix | trans | -73.6 | -46.1 | 174.5 | 67.2 | 0 | 0 | 0 | 0 | 112.4 | Q282 L283 G288 R289 | Q282-S286 PolarHBondContact O-N 2.76Å; L283-S286 PolarHBondContact O-N 3.37Å; L283-S286 VanDerWaalsContact O-N 3.13Å; L283-S286 PolarHBondContact O-OG 2.84Å; S286-G288 VanDerWaalsContact C-N 3.27Å; S286-G288 PolarHBondContact O-N 2.96Å; S286-R289 PolarHBondContact O-N 2.75Å |
| 287 | T | 44.7 | Very low | 48.5 | Very low | 84 Ų | 84 | 128.1 Ų | 128.1 | 52% | 0.515 | 65% | 0.654 | S | S | . | * | H | α-helix | trans | -64.2 | -32 | 176 | -54.8 | 0 | 0 | 0 | 0 | 112.2 | L283 R289 | L283-T287 PolarHBondContact O-N 3.09Å; L283-T287 PolarHBondContact O-OG1 2.86Å; T287-R289 VanDerWaalsContact C-N 3.28Å; T287-R289 PolarHBondContact O-N 3.14Å |
| 288 | G | 44.2 | Very low | 46.9 | Very low | 43 Ų | 43 | 133.9 Ų | 133.9 | 44% | 0.443 | 67% | 0.669 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -67.7 | -15.6 | 179 | 0 | 0 | 0 | 0 | 0 | 116.1 | Y284 S286 | Y284-G288 PolarHBondContact O-N 2.94Å; S286-G288 VanDerWaalsContact C-N 3.27Å; S286-G288 PolarHBondContact O-N 2.96Å |
| 289 | R | 47.3 | Very low | 45.5 | Very low | 172 Ų | 172 | 132.1 Ų | 132.1 | 65% | 0.649 | 67% | 0.672 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -90.4 | -19.5 | -179.5 | -67.4 | -167 | -170.7 | -75.2 | -0 | 114.8 | S286 T287 W291 | S286-R289 PolarHBondContact O-N 2.75Å; T287-R289 VanDerWaalsContact C-N 3.28Å; T287-R289 PolarHBondContact O-N 3.14Å; R289-W291 PolarHBondContact O-N 3.24Å |
| 290 | I | 45.2 | Very low | 44.1 | Very low | 136 Ų | 136 | 132.8 Ų | 132.8 | 70% | 0.697 | 68% | 0.68 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -73.5 | -16.7 | -172.6 | -64.5 | 171 | 0 | 0 | 0 | 112.6 | | |
| 291 | W | 38.2 | Very low | 42.9 | Very low | 230 Ų | 230 | 134 Ų | 134 | 87% | 0.871 | 70% | 0.696 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -103.3 | 9.2 | -174.1 | -77.9 | 99.2 | 0 | 0 | 0 | 115.7 | R289 | R289-W291 PolarHBondContact O-N 3.24Š|
| 292 | Q | 42 | Very low | 41.6 | Very low | 151 Ų | 151 | 132.7 Ų | 132.7 | 71% | 0.706 | 71% | 0.707 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -107.8 | -25.9 | -179.6 | -63.1 | -168.5 | 11.8 | 0 | 0 | 114.6 | M294 | Q292-M294 VanDerWaalsContact C-N 3.33Å; Q292-M294 PolarHBondContact O-N 3.26Å |
| 293 | D | 36.6 | Very low | 40.4 | Very low | 139 Ų | 139 | 130.3 Ų | 130.3 | 74% | 0.743 | 71% | 0.711 | S | S | * | * | | | trans | -88.8 | 49.8 | -170.8 | -66.7 | -31.6 | 0 | 0 | 0 | 114.4 | | |
| 294 | M | 36.7 | Very low | 39.5 | Very low | 191 Ų | 191 | 131.2 Ų | 131.2 | 94% | 0.941 | 72% | 0.721 | S | S | * | * | | | trans | -130.5 | 38.9 | 174.4 | -76.2 | -66.6 | 148.2 | 0 | 0 | 114 | Q292 | Q292-M294 VanDerWaalsContact C-N 3.33Å; Q292-M294 PolarHBondContact O-N 3.26Å |
| 295 | S | 34.2 | Very low | 39.5 | Very low | 110 Ų | 110 | 127.6 Ų | 127.6 | 77% | 0.769 | 72% | 0.72 | S | S | * | * | S | Bend | trans | -130.2 | 131.4 | 160.1 | 57.3 | 0 | 0 | 0 | 0 | 110.3 | | |
| 296 | S | 30.7 | Very low | 39.5 | Very low | 116 Ų | 116 | 126.3 Ų | 126.3 | 81% | 0.811 | 72% | 0.722 | S | S | * | * | | | trans | -97.8 | -172.4 | -161.6 | -154.1 | 0 | 0 | 0 | 0 | 112.6 | | |
| 297 | P | 47.2 | Very low | 38.6 | Very low | 109 Ų | 109 | 132 Ų | 132 | 71% | 0.708 | 74% | 0.741 | S | S | * | * | | | | -127.8 | 168.6 | -82.4 | 40 | -26.9 | 0 | 0 | 0 | 114.7 | | |
| 298 | R | 30.8 | Very low | 38 | Very low | 242 Ų | 242 | 132.8 Ų | 132.8 | 91% | 0.913 | 76% | 0.756 | S | S | * | * | | | trans | 66.4 | 152.7 | 162.8 | -119.3 | -175.5 | 170.1 | 144.6 | -3.7 | 114.5 | | |
| 299 | S | 30 | Very low | 37.4 | Very low | 98 Ų | 98 | 139 Ų | 139 | 69% | 0.685 | 78% | 0.779 | S | S | * | * | | | cis | -146.9 | 159.7 | 9.3 | -52.5 | 0 | 0 | 0 | 0 | 111.8 | | |
| 300 | S | 32.6 | Very low | 36.6 | Very low | 105 Ų | 105 | 134.5 Ų | 134.5 | 73% | 0.734 | 79% | 0.787 | S | S | * | * | | | trans | -66.6 | 159.2 | 151 | -46.9 | 0 | 0 | 0 | 0 | 109.5 | | |
| 301 | T | 33.7 | Very low | 36.1 | Very low | 133 Ų | 133 | 138.5 Ų | 138.5 | 82% | 0.816 | 80% | 0.799 | S | S | * | * | | | | 172.7 | 157 | 80.2 | -46.3 | 0 | 0 | 0 | 0 | 109.4 | | |
| 302 | A | 32.3 | Very low | 35.7 | Very low | 101 Ų | 101 | 133.5 Ų | 133.5 | 84% | 0.835 | 80% | 0.799 | S | S | * | * | | | trans | 66 | 176 | 157.9 | 0 | 0 | 0 | 0 | 0 | 118.7 | | |
| 303 | A | 32.2 | Very low | 35.3 | Very low | 88 Ų | 88 | 134.5 Ų | 134.5 | 73% | 0.727 | 80% | 0.804 | S | S | * | * | | | trans | -155.9 | 151.1 | -163.3 | 0 | 0 | 0 | 0 | 0 | 113.2 | | |
| 304 | V | 35.8 | Very low | 35.1 | Very low | 136 Ų | 136 | 132.6 Ų | 132.6 | 82% | 0.824 | 80% | 0.801 | S | S | * | * | | | trans | 70.5 | 139.5 | 145.7 | 166.5 | 0 | 0 | 0 | 0 | 118.3 | | |
| 305 | P | 51.1 | Low | 35.1 | Very low | 113 Ų | 113 | 132.7 Ų | 132.7 | 73% | 0.734 | 80% | 0.799 | S | S | * | * | | | cis | -128.5 | -124.7 | -27.7 | 33 | -8.1 | 0 | 0 | 0 | 113.7 | | |
| 306 | P | 52.9 | Low | 35 | Very low | 88 Ų | 88 | 132.9 Ų | 132.9 | 57% | 0.571 | 80% | 0.795 | S | S | * | * | | | | -132.1 | 178.9 | -100.5 | 39.9 | -19.8 | 0 | 0 | 0 | 118.2 | | |
| 307 | H | 32.1 | Very low | 35.1 | Very low | 186 Ų | 186 | 134.9 Ų | 134.9 | 86% | 0.861 | 80% | 0.797 | S | S | * | * | | | trans | 66 | 127 | 159.3 | -50 | -56.6 | 0 | 0 | 0 | 121.5 | | |
| 308 | A | 32.2 | Very low | 34.5 | Very low | 101 Ų | 101 | 136.5 Ų | 136.5 | 84% | 0.835 | 80% | 0.799 | S | S | * | * | | | | -177.1 | 156.2 | 128 | 0 | 0 | 0 | 0 | 0 | 111.9 | | |
| 309 | N | 32.1 | Very low | 34.7 | Very low | 174 Ų | 174 | 131 Ų | 131 | 93% | 0.93 | 80% | 0.795 | S | S | * | * | | | trans | -93.2 | 157.3 | 174 | -71 | -28.7 | 0 | 0 | 0 | 111.9 | | |
| 310 | G | 30.2 | Very low | 34.7 | Very low | 78 Ų | 78 | 132 Ų | 132 | 80% | 0.804 | 80% | 0.802 | S | S | * | * | | | trans | 177.5 | 120.9 | 164.3 | 0 | 0 | 0 | 0 | 0 | 115.2 | | |
| 311 | F | 35.3 | Very low | 34.7 | Very low | 220 Ų | 220 | 131.8 Ų | 131.8 | 97% | 0.965 | 81% | 0.806 | S | S | * | * | | | trans | -85.7 | 150.4 | 162 | -73.6 | -104.9 | 0 | 0 | 0 | 109.9 | | |
| 312 | S | 29.2 | Very low | 34.6 | Very low | 124 Ų | 124 | 130 Ų | 130 | 87% | 0.867 | 81% | 0.805 | S | S | * | * | | | | -167 | 169.1 | 125.9 | -154 | 0 | 0 | 0 | 0 | 113 | | |
| 313 | H | 34.4 | Very low | 35 | Very low | 173 Ų | 173 | 130 Ų | 130 | 80% | 0.801 | 80% | 0.799 | S | S | * | * | | | trans | -83.8 | 156.1 | 178.6 | -105.8 | -117.8 | 0 | 0 | 0 | 113.4 | | |
| 314 | S | 31.8 | Very low | 35.5 | Very low | 98 Ų | 98 | 131.7 Ų | 131.7 | 69% | 0.685 | 80% | 0.802 | S | S | * | * | | | trans | 45.2 | 128.3 | 147.1 | 64.6 | 0 | 0 | 0 | 0 | 120.8 | | |
| 315 | Q | 35.4 | Very low | 35.4 | Very low | 193 Ų | 193 | 135.8 Ų | 135.8 | 90% | 0.902 | 80% | 0.804 | S | S | * | * | | | | -142.7 | 158.4 | 111.8 | -78.5 | -145.3 | -3.3 | 0 | 0 | 110.5 | | |
| 316 | V | 33.8 | Very low | 34.7 | Very low | 114 Ų | 114 | 135.6 Ų | 135.6 | 69% | 0.691 | 81% | 0.806 | S | S | * | * | | | trans | -104.9 | 140.6 | -179.6 | 173.9 | 0 | 0 | 0 | 0 | 109.1 | L318 | V316-L318 HydrophobicContact CG1-CD1 3.93Š|
| 317 | N | 31.2 | Very low | 34.3 | Very low | 158 Ų | 158 | 137.1 Ų | 137.1 | 85% | 0.845 | 82% | 0.815 | S | S | * | * | | | trans | -151.1 | 115.7 | 152.9 | -106.8 | -27.6 | 0 | 0 | 0 | 110 | | |
| 318 | L | 34.7 | Very low | 34.4 | Very low | 144 Ų | 144 | 136.3 Ų | 136.3 | 75% | 0.754 | 81% | 0.814 | S | S | * | * | | | trans | -91.5 | 149.8 | 160.5 | -80.7 | 74 | 0 | 0 | 0 | 107.7 | V316 | V316-L318 HydrophobicContact CG1-CD1 3.93Š|
| 319 | P | 35.2 | Very low | 35 | Very low | 126 Ų | 126 | 137.9 Ų | 137.9 | 82% | 0.818 | 81% | 0.813 | S | S | * | * | | | | -131.6 | 136.9 | 113.2 | 35.5 | -28.7 | 0 | 0 | 0 | 114.1 | | |
| 320 | S | 30.4 | Very low | 35.5 | Very low | 120 Ų | 120 | 136.8 Ų | 136.8 | 84% | 0.839 | 81% | 0.807 | S | S | * | * | | | trans | -1.6 | 119.7 | 157.5 | -168.7 | 0 | 0 | 0 | 0 | 119.6 | | |
| 321 | A | 32.4 | Very low | 36 | Very low | 99 Ų | 99 | 144.7 Ų | 144.7 | 82% | 0.818 | 81% | 0.812 | S | S | * | * | | | | -165.2 | 158.3 | 126.8 | 0 | 0 | 0 | 0 | 0 | 111.6 | | |
| 322 | A | 33.1 | Very low | 35.8 | Very low | 96 Ų | 96 | 137.3 Ų | 137.3 | 79% | 0.793 | 80% | 0.798 | S | S | * | * | | | trans | -66.2 | 152.8 | -170 | 0 | 0 | 0 | 0 | 0 | 116.4 | | |
| 323 | S | 39.5 | Very low | 36.3 | Very low | 101 Ų | 101 | 136.9 Ų | 136.9 | 71% | 0.706 | 80% | 0.795 | S | S | * | * | | | trans | -77 | 146.3 | 155.8 | 176.8 | 0 | 0 | 0 | 0 | 110.1 | | |
| 324 | P | 42.3 | Very low | 36.6 | Very low | 123 Ų | 123 | 136.7 Ų | 136.7 | 80% | 0.799 | 80% | 0.795 | S | S | * | * | | | | -136.8 | 140.6 | 123.6 | 36 | -25.9 | 0 | 0 | 0 | 114.2 | | |
| 325 | Y | 35.2 | Very low | 36.8 | Very low | 223 Ų | 223 | 136 Ų | 136 | 88% | 0.875 | 80% | 0.795 | S | S | * | * | | | trans | -80.2 | 164.2 | 160.1 | -101.7 | -108 | 0 | 0 | 0 | 111.2 | | |
| 326 | S | 34.7 | Very low | 37.1 | Very low | 109 Ų | 109 | 132.1 Ų | 132.1 | 76% | 0.762 | 78% | 0.777 | S | S | * | * | | | trans | 89.9 | 129 | 162.6 | -152.1 | 0 | 0 | 0 | 0 | 117.7 | | |
| 327 | P | 45 | Very low | 37.6 | Very low | 119 Ų | 119 | 134.3 Ų | 134.3 | 77% | 0.773 | 78% | 0.784 | S | S | * | * | | | trans | -79.8 | 142.8 | 177.3 | 32.8 | -34.6 | 0 | 0 | 0 | 112.6 | | |
| 328 | M | 33.8 | Very low | 38.4 | Very low | 170 Ų | 170 | 136.1 Ų | 136.1 | 84% | 0.837 | 78% | 0.779 | S | S | * | * | | | trans | -70.5 | 135.5 | 180 | -73.6 | -179.5 | 64 | 0 | 0 | 113.4 | L330 | M328-L330 HydrophobicContact CB-CD1 4.36Å; M328-L330 PolarHBondContact O-N 3.41Å |
| 329 | V | 44.5 | Very low | 39.1 | Very low | 134 Ų | 134 | 140.7 Ų | 140.7 | 81% | 0.812 | 79% | 0.786 | S | S | * | * | | | trans | -80.2 | 107.8 | 164.3 | 178 | 0 | 0 | 0 | 0 | 109.1 | R331 | V329-R331 PolarHBondContact O-N 3.23Š|
| 330 | L | 42.6 | Very low | 40.1 | Very low | 151 Ų | 151 | 140.3 Ų | 140.3 | 79% | 0.791 | 78% | 0.781 | S | S | * | * | | | trans | -78.6 | 108.7 | 167.1 | -97.4 | 73.2 | 0 | 0 | 0 | 110.1 | M328 G332 | M328-L330 HydrophobicContact CB-CD1 4.36Å; M328-L330 PolarHBondContact O-N 3.41Å; L330-G332 PolarHBondContact O-N 3.48Å |
| 331 | R | 41 | Very low | 41.3 | Very low | 243 Ų | 243 | 144.1 Ų | 144.1 | 92% | 0.917 | 78% | 0.782 | S | S | * | * | | | trans | -89.6 | 91.3 | 176.6 | -165.6 | -171.4 | -159 | -132.8 | 10.5 | 110.4 | V329 | V329-R331 PolarHBondContact O-N 3.23Š|
| 332 | G | 32.7 | Very low | 42.2 | Very low | 65 Ų | 65 | 145 Ų | 145 | 67% | 0.67 | 78% | 0.777 | S | S | * | * | | | trans | -83.3 | 126 | 174.9 | 0 | 0 | 0 | 0 | 0 | 113 | L330 | L330-G332 PolarHBondContact O-N 3.48Š|
| 333 | S | 39.2 | Very low | 43.2 | Very low | 116 Ų | 116 | 146.2 Ų | 146.2 | 81% | 0.811 | 78% | 0.775 | S | S | * | * | | | trans | 17.5 | 119.9 | 163.5 | 46.9 | 0 | 0 | 0 | 0 | 120 | A335 | S333-A335 PolarHBondContact O-N 2.99Š|
| 334 | Q | 40.4 | Very low | 43.7 | Very low | 169 Ų | 169 | 152.5 Ų | 152.5 | 79% | 0.79 | 78% | 0.783 | S | S | * | * | | | trans | -57.4 | 102.8 | 161.6 | 175.2 | -170.2 | -6.3 | 0 | 0 | 111.1 | E336 | Q334-E336 PolarHBondContact NE2-OE2 3Š|
| 335 | A | 36.7 | Very low | 44.3 | Very low | 84 Ų | 84 | 151.8 Ų | 151.8 | 69% | 0.694 | 78% | 0.777 | S | S | * | * | | | trans | -88.3 | 114.3 | 154.4 | 0 | 0 | 0 | 0 | 0 | 108 | S333 L337 | S333-A335 PolarHBondContact O-N 2.99Å; A335-L337 PolarHBondContact O-N 2.89Å |
| 336 | E | 39.8 | Very low | 45.4 | Very low | 111 Ų | 111 | 151 Ų | 151 | 52% | 0.519 | 78% | 0.778 | S | S | . | * | | | trans | -62.3 | 96.4 | -176.4 | -173.8 | 66.4 | -162.9 | 0 | 0 | 111 | Q334 R338 | Q334-E336 PolarHBondContact NE2-OE2 3Å; E336-R338 HydrophobicContact CB-CG 4.49Å; E336-R338 HydrophobicContact CG-CG 3.71Å; E336-R338 PolarHBondContact O-N 2.88Å |
| 337 | L | 45 | Very low | 46.5 | Very low | 159 Ų | 159 | 150.1 Ų | 150.1 | 83% | 0.832 | 77% | 0.772 | S | S | * | * | | | trans | -71.4 | 71.3 | 171.5 | -73.1 | -179.8 | 0 | 0 | 0 | 110.1 | A335 R339 | A335-L337 PolarHBondContact O-N 2.89Å; L337-R339 PolarHBondContact O-N 3.48Å |
| 338 | R | 48.1 | Very low | 46.5 | Very low | 196 Ų | 196 | 151.2 Ų | 151.2 | 74% | 0.74 | 78% | 0.781 | S | S | * | * | | | trans | -52.3 | 107.7 | 172.4 | -64.6 | -173.7 | 178.6 | 98 | -1.7 | 108.1 | E336 V340 | E336-R338 HydrophobicContact CB-CG 4.49Å; E336-R338 HydrophobicContact CG-CG 3.71Å; E336-R338 PolarHBondContact O-N 2.88Å; R338-V340 PolarHBondContact O-N 3.16Å |
| 339 | R | 50.5 | Low | 47.8 | Very low | 241 Ų | 241 | 145.4 Ų | 145.4 | 91% | 0.909 | 77% | 0.765 | S | S | * | * | | | trans | -68.6 | 80.6 | -179.4 | -76.4 | 176.6 | -78.4 | 131.2 | -3.7 | 110.1 | L337 K341 | L337-R339 PolarHBondContact O-N 3.48Å; R339-K341 PolarHBondContact O-N 3.04Å |
| 340 | V | 55.7 | Low | 48.4 | Very low | 118 Ų | 118 | 145 Ų | 145 | 72% | 0.715 | 77% | 0.765 | S | S | * | * | | | trans | -59.5 | 110.8 | 173.4 | -177.8 | 0 | 0 | 0 | 0 | 107.7 | R338 V342 | R338-V340 PolarHBondContact O-N 3.16Å; V340-V342 HydrophobicContact CG1-CG2 4.17Å; V340-V342 WeakPolarHBondContact O-CG2 3.36Å; V340-V342 PolarHBondContact O-N 3.39Å |
| 341 | K | 55.8 | Low | 48.8 | Very low | 199 Ų | 199 | 147.7 Ų | 147.7 | 87% | 0.865 | 77% | 0.771 | S | S | * | * | | | trans | -74.6 | 79.3 | 177.9 | -175 | 173.5 | 178.4 | 174.8 | 0 | 109 | R339 T343 | R339-K341 PolarHBondContact O-N 3.04Å; K341-T343 PolarHBondContact O-N 3.47Å |
| 342 | V | 50.6 | Low | 49.2 | Very low | 117 Ų | 117 | 142.9 Ų | 142.9 | 71% | 0.709 | 76% | 0.762 | S | S | * | * | | | trans | -65.5 | 107.8 | -179 | -163 | 0 | 0 | 0 | 0 | 109.2 | V340 R344 | V340-V342 HydrophobicContact CG1-CG2 4.17Å; V340-V342 WeakPolarHBondContact O-CG2 3.36Å; V340-V342 PolarHBondContact O-N 3.39Å; V342-R344 PolarHBondContact O-N 3.44Å |
| 343 | T | 54.9 | Low | 49.9 | Very low | 122 Ų | 122 | 145.3 Ų | 145.3 | 75% | 0.748 | 77% | 0.765 | S | S | * | * | | | trans | -61.3 | 121.6 | 173.6 | -38 | 0 | 0 | 0 | 0 | 108.5 | K341 T345 | K341-T343 PolarHBondContact O-N 3.47Å; T343-T345 VanDerWaalsContact C-N 3.35Å; T343-T345 PolarHBondContact O-N 2.89Å |
| 344 | R | 49.8 | Very low | 50.1 | Low | 234 Ų | 234 | 147.8 Ų | 147.8 | 88% | 0.883 | 77% | 0.768 | S | S | * | * | | | trans | -61.4 | 86 | -171.6 | -179.5 | 176.8 | 141.2 | -130.5 | -0.4 | 112.6 | V342 K346 | V342-R344 PolarHBondContact O-N 3.44Å; R344-K346 PolarHBondContact O-N 3.24Å |
| 345 | T | 55.2 | Low | 50.1 | Low | 108 Ų | 108 | 147.9 Ų | 147.9 | 66% | 0.663 | 77% | 0.769 | S | S | * | * | | | trans | -70.4 | 120.2 | 170.9 | 42.5 | 0 | 0 | 0 | 0 | 109.2 | T343 S347 | T343-T345 VanDerWaalsContact C-N 3.35Å; T343-T345 PolarHBondContact O-N 2.89Å; T345-S347 PolarHBondContact O-N 2.87Å |
| 346 | K | 57 | Low | 50.3 | Low | 206 Ų | 206 | 153.1 Ų | 153.1 | 90% | 0.896 | 78% | 0.779 | S | S | * | * | | | trans | -83.7 | 55 | -173.5 | 54 | -141.1 | 174.7 | -176.6 | 0 | 112.3 | R344 | R344-K346 PolarHBondContact O-N 3.24Š|
| 347 | S | 58 | Low | 50.2 | Low | 91 Ų | 91 | 155.1 Ų | 155.1 | 64% | 0.636 | 79% | 0.788 | S | S | * | * | | | trans | -123.6 | 96.9 | 178.5 | 51.1 | 0 | 0 | 0 | 0 | 109.7 | T345 G349 | T345-S347 PolarHBondContact O-N 2.87Å; S347-G349 PolarHBondContact O-N 3.14Å; S347-G349 VanDerWaalsContact O-N 3.09Å |
| 348 | C | 45.8 | Very low | 49.9 | Very low | 141 Ų | 141 | 151.8 Ų | 151.8 | 95% | 0.953 | 78% | 0.778 | S | S | * | * | | | trans | -78.4 | 86.8 | 178.1 | 36.1 | 0 | 0 | 0 | 0 | 111.5 | | |
| 349 | G | 60.1 | Low | 49.2 | Very low | 49 Ų | 49 | 150.8 Ų | 150.8 | 51% | 0.505 | 78% | 0.782 | S | S | . | * | | | trans | -116.5 | 147.8 | 160.3 | 0 | 0 | 0 | 0 | 0 | 110.1 | S347 F351 | S347-G349 PolarHBondContact O-N 3.14Å; S347-G349 VanDerWaalsContact O-N 3.09Å; G349-F351 PolarHBondContact O-N 2.88Å |
| 350 | P | 58.2 | Low | 48.3 | Very low | 126 Ų | 126 | 147.7 Ų | 147.7 | 82% | 0.818 | 78% | 0.783 | S | S | * | * | P | Polyproline II helix | trans | -70.5 | 129.4 | 177.8 | 29.2 | -33.5 | 0 | 0 | 0 | 110.8 | I352 | P350-I352 PolarHBondContact O-N 3.42Š|
| 351 | F | 49.7 | Very low | 47.7 | Very low | 207 Ų | 207 | 144.8 Ų | 144.8 | 91% | 0.908 | 78% | 0.778 | S | S | * | * | P | Polyproline II helix | trans | -74.3 | 122.1 | 166.9 | -88.7 | -96 | 0 | 0 | 0 | 109.4 | G349 | G349-F351 PolarHBondContact O-N 2.88Š|
| 352 | I | 49.5 | Very low | 47.1 | Very low | 142 Ų | 142 | 143.4 Ų | 143.4 | 73% | 0.728 | 78% | 0.778 | S | S | * | * | P | Polyproline II helix | trans | -97.1 | 122 | 168.7 | -58.4 | 175.7 | 0 | 0 | 0 | 107.3 | P350 L354 | P350-I352 PolarHBondContact O-N 3.42Å; I352-L354 PolarHBondContact O-N 2.9Å |
| 353 | P | 47.7 | Very low | 46.6 | Very low | 115 Ų | 115 | 146.2 Ų | 146.2 | 75% | 0.747 | 79% | 0.788 | S | S | * | * | P | Polyproline II helix | trans | -65.6 | 119.6 | 170.3 | -18.6 | 32.1 | 0 | 0 | 0 | 110.1 | Q355 | P353-Q355 PolarHBondContact O-N 3.35Å; P353-Q355 VanDerWaalsContact O-N 3.12Å |
| 354 | L | 43.3 | Very low | 45.7 | Very low | 168 Ų | 168 | 148.8 Ų | 148.8 | 88% | 0.88 | 80% | 0.796 | S | S | * | * | | | trans | -74.7 | 99.2 | 167.6 | -87.2 | 168.3 | 0 | 0 | 0 | 108.9 | I352 Q356 | I352-L354 PolarHBondContact O-N 2.9Å; L354-Q356 PolarHBondContact O-N 3.31Å |
| 355 | Q | 41.2 | Very low | 44.9 | Very low | 171 Ų | 171 | 143.7 Ų | 143.7 | 80% | 0.799 | 80% | 0.796 | S | S | * | * | | | trans | -73 | 93.3 | 173.8 | -174.7 | 169.8 | -9.6 | 0 | 0 | 109.4 | P353 H357 | P353-Q355 PolarHBondContact O-N 3.35Å; P353-Q355 VanDerWaalsContact O-N 3.12Å; Q355-H357 PolarHBondContact O-N 2.78Å |
| 356 | Q | 39.5 | Very low | 43.7 | Very low | 195 Ų | 195 | 143.3 Ų | 143.3 | 91% | 0.911 | 80% | 0.804 | S | S | * | * | | | trans | -63.1 | 101.2 | 169.5 | -75.6 | -176.9 | -98.5 | 0 | 0 | 109.1 | L354 | L354-Q356 PolarHBondContact O-N 3.31Š|
| 357 | H | 37.4 | Very low | 42.5 | Very low | 153 Ų | 153 | 142.8 Ų | 142.8 | 71% | 0.708 | 80% | 0.798 | S | S | * | * | | | trans | -78 | 147 | 171.2 | -158.1 | -72.3 | 0 | 0 | 0 | 110.1 | Q355 | Q355-H357 PolarHBondContact O-N 2.78Š|
| 358 | S | 39.6 | Very low | 41.2 | Very low | 88 Ų | 88 | 144.9 Ų | 144.9 | 62% | 0.615 | 80% | 0.798 | S | S | * | * | | | trans | -63.2 | 134.3 | -175.3 | 43.3 | 0 | 0 | 0 | 0 | 114.2 | | |
| 359 | Q | 34 | Very low | 40.4 | Very low | 176 Ų | 176 | 142.8 Ų | 142.8 | 82% | 0.822 | 79% | 0.785 | S | S | * | * | | | trans | -148.4 | 52.4 | 159.2 | -75.8 | -57.5 | -18.6 | 0 | 0 | 110.6 | | |
| 360 | D | 32 | Very low | 40 | Very low | 175 Ų | 175 | 145.2 Ų | 145.2 | 94% | 0.936 | 79% | 0.791 | S | S | * | * | | | trans | -114.3 | 87 | 169.8 | -82.2 | -55.6 | 0 | 0 | 0 | 109.3 | | |
| 361 | G | 41.4 | Very low | 38.9 | Very low | 58 Ų | 58 | 147 Ų | 147 | 60% | 0.598 | 79% | 0.793 | S | S | * | * | S | Bend | trans | 175.5 | 134.8 | 178.6 | 0 | 0 | 0 | 0 | 0 | 112 | | |
| 362 | I | 44 | Very low | 39 | Very low | 169 Ų | 169 | 142.3 Ų | 142.3 | 87% | 0.867 | 78% | 0.784 | S | S | * | * | | | trans | 67.9 | 63.9 | 178.3 | -37.9 | 175.3 | 0 | 0 | 0 | 114.9 | | |
| 363 | L | 39.7 | Very low | 38.1 | Very low | 177 Ų | 177 | 139.9 Ų | 139.9 | 93% | 0.927 | 79% | 0.785 | S | S | * | * | | | trans | -141.9 | 77.1 | 147.4 | -83 | -172.8 | 0 | 0 | 0 | 110.5 | | |
| 364 | L | 35.9 | Very low | 37.3 | Very low | 176 Ų | 176 | 141.2 Ų | 141.2 | 92% | 0.921 | 79% | 0.791 | S | S | * | * | | | trans | -153.3 | 63.5 | 169.2 | -151.8 | 79.2 | 0 | 0 | 0 | 113 | | |
| 365 | S | 32.8 | Very low | 36.7 | Very low | 126 Ų | 126 | 136.4 Ų | 136.4 | 88% | 0.881 | 78% | 0.782 | S | S | * | * | | | trans | -156.4 | 100.7 | 164 | -165.8 | 0 | 0 | 0 | 0 | 110.7 | | |
| 366 | A | 29.9 | Very low | 36.2 | Very low | 100 Ų | 100 | 135.2 Ų | 135.2 | 83% | 0.826 | 79% | 0.786 | S | S | * | * | | | trans | -163.3 | 88.3 | 176.1 | 0 | 0 | 0 | 0 | 0 | 111 | | |
| 367 | Y | 33.2 | Very low | 35.8 | Very low | 196 Ų | 196 | 132 Ų | 132 | 77% | 0.769 | 78% | 0.781 | S | S | * | * | | | trans | -160.6 | 132.7 | 168 | -154.6 | -101.4 | 0 | 0 | 0 | 111.5 | | |
| 368 | E | 29.4 | Very low | 35.8 | Very low | 135 Ų | 135 | 131.3 Ų | 131.3 | 63% | 0.631 | 79% | 0.787 | S | S | * | * | | | trans | 52.2 | 152.1 | 169.4 | -97.4 | 45.2 | 155.9 | 0 | 0 | 120.3 | | |
| 369 | S | 30.7 | Very low | 35.3 | Very low | 97 Ų | 97 | 132.2 Ų | 132.2 | 68% | 0.678 | 79% | 0.793 | S | S | * | * | | | cis | -166.9 | -161.4 | -32.2 | -157.1 | 0 | 0 | 0 | 0 | 108.2 | | |
| 370 | P | 51.9 | Low | 35.2 | Very low | 99 Ų | 99 | 129.3 Ų | 129.3 | 64% | 0.643 | 79% | 0.792 | S | S | * | * | | | | -126.6 | 153.7 | -101.5 | 41 | -25.3 | 0 | 0 | 0 | 118.7 | | |
| 371 | L | 34.9 | Very low | 35.4 | Very low | 163 Ų | 163 | 128.8 Ų | 128.8 | 85% | 0.853 | 79% | 0.788 | S | S | * | * | | | trans | 68.3 | 168 | 149.3 | -64.6 | 165.4 | 0 | 0 | 0 | 119.3 | | |
| 372 | P | 50.4 | Low | 35.6 | Very low | 110 Ų | 110 | 130.8 Ų | 130.8 | 71% | 0.714 | 79% | 0.791 | S | S | * | * | | | cis | -140.3 | 179.1 | -49.1 | 40.8 | -25.3 | 0 | 0 | 0 | 116.2 | | |
| 373 | A | 32 | Very low | 34.9 | Very low | 91 Ų | 91 | 129.5 Ų | 129.5 | 75% | 0.752 | 79% | 0.785 | S | S | * | * | | | trans | 75.7 | 154.7 | 158.2 | 0 | 0 | 0 | 0 | 0 | 117.8 | | |
| 374 | T | 30.6 | Very low | 34.5 | Very low | 143 Ų | 143 | 128.1 Ų | 128.1 | 88% | 0.877 | 78% | 0.778 | S | S | * | * | | | cis | -146.2 | 150.5 | 8.1 | -43.8 | 0 | 0 | 0 | 0 | 111.7 | | |
| 375 | G | 30.1 | Very low | 34.5 | Very low | 67 Ų | 67 | 127.9 Ų | 127.9 | 69% | 0.691 | 78% | 0.777 | S | S | * | * | | | trans | 95.4 | 142.6 | 166.6 | 0 | 0 | 0 | 0 | 0 | 115 | | |
| 376 | T | 31.4 | Very low | 34.8 | Very low | 145 Ų | 145 | 127.3 Ų | 127.3 | 89% | 0.89 | 77% | 0.77 | S | S | * | * | | | cis | -144.2 | 151 | -0.9 | -58.3 | 0 | 0 | 0 | 0 | 109.9 | | |
| 377 | T | 31.4 | Very low | 34.9 | Very low | 129 Ų | 129 | 133.4 Ų | 133.4 | 79% | 0.791 | 77% | 0.773 | S | S | * | * | | | trans | -88.2 | 133.1 | -167.5 | 49.9 | 0 | 0 | 0 | 0 | 115.5 | | |
| 378 | T | 35.8 | Very low | 34.8 | Very low | 138 Ų | 138 | 132.1 Ų | 132.1 | 85% | 0.847 | 78% | 0.775 | S | S | * | * | | | trans | -153.9 | 139.4 | 136.7 | 38 | 0 | 0 | 0 | 0 | 111.7 | | |
| 379 | S | 29.6 | Very low | 35.2 | Very low | 107 Ų | 107 | 130.6 Ų | 130.6 | 75% | 0.748 | 77% | 0.774 | S | S | * | * | | | trans | -29.9 | 155.2 | 165.6 | 49.3 | 0 | 0 | 0 | 0 | 118.5 | | |
| 380 | S | 32.5 | Very low | 35.3 | Very low | 114 Ų | 114 | 134.5 Ų | 134.5 | 80% | 0.797 | 78% | 0.782 | S | S | * | * | | | cis | -173.6 | 155.2 | -9.1 | 46.9 | 0 | 0 | 0 | 0 | 110.6 | | |
| 381 | I | 34.7 | Very low | 35 | Very low | 164 Ų | 164 | 137.5 Ų | 137.5 | 84% | 0.841 | 79% | 0.792 | S | S | * | * | | | trans | -128.5 | 171.4 | 176.1 | 12.3 | 173.1 | 0 | 0 | 0 | 108.9 | | |
| 382 | P | 46.7 | Very low | 35 | Very low | 101 Ų | 101 | 136.4 Ų | 136.4 | 66% | 0.656 | 79% | 0.792 | S | S | * | * | | | cis | -137.7 | -167.9 | -6.7 | 28.4 | -3.5 | 0 | 0 | 0 | 115 | | |
| 383 | N | 30.2 | Very low | 34.3 | Very low | 142 Ų | 142 | 133.9 Ų | 133.9 | 76% | 0.759 | 79% | 0.786 | S | S | * | * | | | | 111.8 | 150.3 | 122.2 | -120.5 | -17.5 | 0 | 0 | 0 | 122 | | |
| 384 | L | 31.4 | Very low | 34.7 | Very low | 148 Ų | 148 | 134.9 Ų | 134.9 | 78% | 0.775 | 79% | 0.785 | S | S | * | * | | | trans | 69.3 | 106.1 | 165.6 | -57.6 | -177.4 | 0 | 0 | 0 | 121.2 | | |
| 385 | L | 34.8 | Very low | 34.9 | Very low | 170 Ų | 170 | 133.4 Ų | 133.4 | 89% | 0.89 | 78% | 0.78 | S | S | * | * | | | trans | -70 | 149.3 | 143.2 | -85.1 | 161.1 | 0 | 0 | 0 | 110.7 | | |
| 386 | P | 40.3 | Very low | 35.4 | Very low | 115 Ų | 115 | 140 Ų | 140 | 75% | 0.747 | 79% | 0.79 | S | S | * | * | | | trans | -124.7 | 160.8 | 131.8 | 36.3 | -30.8 | 0 | 0 | 0 | 112.6 | | |
| 387 | Y | 31.3 | Very low | 35.6 | Very low | 227 Ų | 227 | 138.3 Ų | 138.3 | 89% | 0.89 | 79% | 0.785 | S | S | * | * | | | trans | -65.8 | 142.8 | 177.3 | -80.4 | -112.1 | 0 | 0 | 0 | 112.5 | | |
| 388 | Q | 30.3 | Very low | 36.1 | Very low | 170 Ų | 170 | 143.6 Ų | 143.6 | 79% | 0.794 | 79% | 0.79 | S | S | * | * | | | trans | -146.8 | 151.9 | 140.8 | -114.1 | -67.6 | 54.9 | 0 | 0 | 110.8 | | |
| 389 | T | 38.2 | Very low | 36 | Very low | 102 Ų | 102 | 147 Ų | 147 | 63% | 0.626 | 79% | 0.787 | S | S | * | * | | | trans | -115.3 | 119.5 | -175.3 | -64.1 | 0 | 0 | 0 | 0 | 109.7 | L391 | T389-L391 HydrophobicContact CG2-CD1 4.28Š|
| 390 | E | 32.6 | Very low | 36.5 | Very low | 180 Ų | 180 | 146.9 Ų | 146.9 | 84% | 0.841 | 78% | 0.784 | S | S | * | * | | | trans | -131.2 | 139 | 161.9 | -71.3 | -143.4 | 141.4 | 0 | 0 | 112.3 | T392 | E390-T392 PolarHBondContact O-N 3.43Š|
| 391 | L | 45.3 | Very low | 37 | Very low | 162 Ų | 162 | 147.4 Ų | 147.4 | 85% | 0.848 | 79% | 0.785 | S | S | * | * | | | trans | -88.2 | 106.1 | -176.8 | -73.6 | 73.5 | 0 | 0 | 0 | 109.7 | T389 | T389-L391 HydrophobicContact CG2-CD1 4.28Š|
| 392 | T | 34.8 | Very low | 37.4 | Very low | 139 Ų | 139 | 147.6 Ų | 147.6 | 85% | 0.853 | 78% | 0.782 | S | S | * | * | | | trans | -91.4 | 109.7 | 165.3 | -55.1 | 0 | 0 | 0 | 0 | 109.6 | E390 | E390-T392 PolarHBondContact O-N 3.43Š|
| 393 | G | 36 | Very low | 37.3 | Very low | 57 Ų | 57 | 153.2 Ų | 153.2 | 59% | 0.588 | 80% | 0.796 | S | S | * | * | P | Polyproline II helix | trans | -69.1 | 149.1 | 177.4 | 0 | 0 | 0 | 0 | 0 | 112.8 | S395 | G393-S395 PolarHBondContact O-N 3.19Š|
| 394 | P | 40 | Very low | 38.4 | Very low | 112 Ų | 112 | 151.1 Ų | 151.1 | 73% | 0.727 | 79% | 0.793 | S | S | * | * | P | Polyproline II helix | trans | -69.5 | 118.9 | -177.8 | 28 | -34.2 | 0 | 0 | 0 | 111.5 | F396 | P394-F396 PolarHBondContact O-N 3.27Š|
| 395 | S | 35.7 | Very low | 39.7 | Very low | 112 Ų | 112 | 151.5 Ų | 151.5 | 78% | 0.783 | 80% | 0.795 | S | S | * | * | P | Polyproline II helix | trans | -72 | 123 | 174 | 48.9 | 0 | 0 | 0 | 0 | 111 | G393 S397 | G393-S395 PolarHBondContact O-N 3.19Å; S395-S397 VanDerWaalsContact C-N 3.25Å; S395-S397 PolarHBondContact O-N 3.42Å |
| 396 | F | 39.9 | Very low | 40.9 | Very low | 205 Ų | 205 | 148.5 Ų | 148.5 | 90% | 0.899 | 79% | 0.786 | S | S | * | * | | | trans | -75.3 | 67.3 | -176.4 | -74.1 | -82.2 | 0 | 0 | 0 | 113.2 | P394 R398 | P394-F396 PolarHBondContact O-N 3.27Å; F396-R398 PolarHBondContact O-N 3.17Å; F396-R398 VanDerWaalsContact O-N 3.16Å |
| 397 | S | 36.9 | Very low | 42.2 | Very low | 111 Ų | 111 | 145.7 Ų | 145.7 | 78% | 0.776 | 77% | 0.767 | S | S | * | * | | | trans | -73 | 103.7 | 168 | -169.9 | 0 | 0 | 0 | 0 | 110.1 | S395 R399 | S395-S397 VanDerWaalsContact C-N 3.25Å; S395-S397 PolarHBondContact O-N 3.42Å; S397-R399 VanDerWaalsContact C-N 3.28Å; S397-R399 PolarHBondContact O-N 3.21Å |
| 398 | R | 40.6 | Very low | 44 | Very low | 239 Ų | 239 | 139.1 Ų | 139.1 | 90% | 0.902 | 75% | 0.752 | S | S | * | * | | | trans | -73.4 | 76.3 | -177 | -172.2 | -169.1 | -72.3 | -107.4 | 1 | 111.5 | F396 | F396-R398 PolarHBondContact O-N 3.17Å; F396-R398 VanDerWaalsContact O-N 3.16Å |
| 399 | R | 33.9 | Very low | 46 | Very low | 211 Ų | 211 | 137 Ų | 137 | 80% | 0.796 | 74% | 0.742 | S | S | * | * | | | trans | -64.6 | 139.8 | 166.8 | -151.6 | 174.2 | -152.6 | 156.5 | 6.1 | 109.5 | S397 | S397-R399 VanDerWaalsContact C-N 3.28Å; S397-R399 PolarHBondContact O-N 3.21Å |
| 400 | P | 39.7 | Very low | 47.7 | Very low | 104 Ų | 104 | 135.4 Ų | 135.4 | 68% | 0.675 | 73% | 0.729 | S | S | * | * | | | trans | -57.5 | 138.7 | 167.5 | -22.4 | 33.3 | 0 | 0 | 0 | 109.7 | Q402 | P400-Q402 PolarHBondContact O-N 3.48Å; P400-Q402 VanDerWaalsContact O-N 3.09Å |
| 401 | P | 44.3 | Very low | 49.9 | Very low | 125 Ų | 125 | 130.4 Ų | 130.4 | 81% | 0.812 | 71% | 0.714 | S | S | * | * | | | trans | -64 | 115.7 | 174.8 | 27.1 | -32.8 | 0 | 0 | 0 | 108.4 | | |
| 402 | Q | 42.1 | Very low | 51.5 | Low | 168 Ų | 168 | 126.4 Ų | 126.4 | 79% | 0.785 | 70% | 0.697 | S | S | * | * | | | trans | -64.4 | 148 | 168.5 | -69.4 | -168.1 | -39.2 | 0 | 0 | 109 | P400 S404 | P400-Q402 PolarHBondContact O-N 3.48Å; P400-Q402 VanDerWaalsContact O-N 3.09Å; Q402-S404 VanDerWaalsContact C-N 3.28Å; Q402-S404 PolarHBondContact O-N 2.81Å |
| 403 | F | 45.8 | Very low | 53.9 | Low | 218 Ų | 218 | 128.6 Ų | 128.6 | 96% | 0.956 | 69% | 0.689 | S | S | * | * | | | trans | -68.3 | 84.6 | -179.4 | -71 | -88.9 | 0 | 0 | 0 | 110.8 | L405 | F403-L405 PolarHBondContact O-N 2.78Š|
| 404 | S | 52.3 | Low | 56.4 | Low | 98 Ų | 98 | 129.5 Ų | 129.5 | 69% | 0.685 | 69% | 0.687 | S | S | * | * | P | Polyproline II helix | trans | -57.4 | 129.9 | 161.5 | 51.3 | 0 | 0 | 0 | 0 | 108.7 | Q402 | Q402-S404 VanDerWaalsContact C-N 3.28Å; Q402-S404 PolarHBondContact O-N 2.81Å |
| 405 | L | 57.9 | Low | 59 | Low | 157 Ų | 157 | 129 Ų | 129 | 82% | 0.822 | 68% | 0.677 | S | S | * | * | P | Polyproline II helix | trans | -50.9 | 135.3 | 169.9 | -80.4 | 158.1 | 0 | 0 | 0 | 109.2 | F403 T407 | F403-L405 PolarHBondContact O-N 2.78Å; L405-T407 PolarHBondContact O-N 3.17Å; L405-T407 VanDerWaalsContact O-N 3.09Å |
| 406 | P | 60.8 | Low | 61.8 | Low | 107 Ų | 107 | 129.9 Ų | 129.9 | 70% | 0.695 | 67% | 0.669 | S | S | * | * | P | Polyproline II helix | trans | -57 | 119.7 | -179.2 | -24.4 | 33.8 | 0 | 0 | 0 | 110.3 | | |
| 407 | T | 67.6 | Low | 64.5 | Low | 56 Ų | 56 | 126.9 Ų | 126.9 | 34% | 0.344 | 66% | 0.655 | S | S | . | * | P | Polyproline II helix | trans | -63.8 | 151.2 | 171.2 | 64.5 | 0 | 0 | 0 | 0 | 109.1 | L405 E409 D410 S411 | L405-T407 PolarHBondContact O-N 3.17Å; L405-T407 VanDerWaalsContact O-N 3.09Å; T407-E409 WeakPolarHBondContact CB-OE2 3.31Å; T407-E409 PolarHBondContact O-N 3.09Å; T407-D410 PolarHBondContact O-N 3.47Å; T407-D410 WeakPolarHBondContact OG1-CB 3.3Å; T407-D410 PolarHBondContact OG1-N 3.03Å; T407-D410 PolarHBondContact OG1-OD2 3.45Å; T407-S411 PolarHBondContact O-N 3.14Å |
| 408 | P | 69 | Low | 67.2 | Low | 89 Ų | 89 | 124.1 Ų | 124.1 | 58% | 0.578 | 64% | 0.639 | S | S | * | * | H | α-helix | trans | -57.5 | -30.6 | 172.7 | 19.6 | -26.6 | 0 | 0 | 0 | 111.2 | S411 T412 | P408-S411 WeakPolarHBondContact O-CB 3.34Å; P408-S411 PolarHBondContact O-N 3.17Å; P408-T412 WeakPolarHBondContact O-CG2 3.48Å; P408-T412 PolarHBondContact O-N 2.92Å |
| 409 | E | 73.4 | Confident | 69.9 | Low | 125 Ų | 125 | 117.2 Ų | 117.2 | 58% | 0.584 | 62% | 0.62 | S | S | * | * | H | α-helix | trans | -61.8 | -48.5 | 171.6 | -64.9 | 64.6 | -139.7 | 0 | 0 | 111.6 | T407 S411 T412 R413 | T407-E409 WeakPolarHBondContact CB-OE2 3.31Å; T407-E409 PolarHBondContact O-N 3.09Å; E409-S411 VanDerWaalsContact C-N 3.29Å; E409-S411 PolarHBondContact O-N 3.47Å; E409-T412 PolarHBondContact O-N 2.82Å; E409-T412 PolarHBondContact O-OG1 2.77Å; E409-R413 VanDerWaalsContact O-CB 3.31Å; E409-R413 WeakPolarHBondContact O-CB 3.41Å; E409-R413 PolarHBondContact O-N 2.91Å |
| 410 | D | 74 | Confident | 72.9 | Confident | 68 Ų | 68 | 110.2 Ų | 110.2 | 36% | 0.364 | 61% | 0.607 | S | S | . | * | H | α-helix | trans | -63.3 | -34.1 | 174.4 | -74.1 | -55.1 | 0 | 0 | 0 | 112.3 | T407 R413 S414 | T407-D410 PolarHBondContact O-N 3.47Å; T407-D410 WeakPolarHBondContact OG1-CB 3.3Å; T407-D410 PolarHBondContact OG1-N 3.03Å; T407-D410 PolarHBondContact OG1-OD2 3.45Å; D410-R413 PolarHBondContact O-N 3.39Å; D410-S414 WeakPolarHBondContact O-CB 3.46Å; D410-S414 PolarHBondContact O-N 2.83Å |
| 411 | S | 77.9 | Confident | 75.7 | Confident | 75 Ų | 75 | 110 Ų | 110 | 52% | 0.524 | 60% | 0.6 | S | S | . | * | H | α-helix | trans | -63 | -49 | 173.8 | -170.7 | 0 | 0 | 0 | 0 | 111.2 | T407 P408 E409 R413 S414 L415 | T407-S411 PolarHBondContact O-N 3.14Å; P408-S411 WeakPolarHBondContact O-CB 3.34Å; P408-S411 PolarHBondContact O-N 3.17Å; E409-S411 VanDerWaalsContact C-N 3.29Å; E409-S411 PolarHBondContact O-N 3.47Å; S411-R413 PolarHBondContact O-N 3.49Å; S411-S414 WeakPolarHBondContact O-CB 3.41Å; S411-S414 PolarHBondContact O-N 3.17Å; S411-L415 PolarHBondContact O-N 3.01Å |
| 412 | T | 79.8 | Confident | 78.1 | Confident | 78 Ų | 78 | 109.1 Ų | 109.1 | 48% | 0.479 | 59% | 0.585 | S | S | . | * | H | α-helix | trans | -63.9 | -40.1 | 174.8 | 65.7 | 0 | 0 | 0 | 0 | 112 | P408 E409 S414 L415 H416 | P408-T412 WeakPolarHBondContact O-CG2 3.48Å; P408-T412 PolarHBondContact O-N 2.92Å; E409-T412 PolarHBondContact O-N 2.82Å; E409-T412 PolarHBondContact O-OG1 2.77Å; T412-S414 VanDerWaalsContact C-N 3.31Å; T412-S414 PolarHBondContact O-N 3.01Å; T412-L415 WeakPolarHBondContact O-CB 3.32Å; T412-L415 PolarHBondContact O-N 3.4Å; T412-H416 PolarHBondContact O-N 3.36Å; T412-H416 PolarHBondContact O-ND1 2.88Å |
| 413 | R | 83.3 | Confident | 80.7 | Confident | 185 Ų | 185 | 103.1 Ų | 103.1 | 70% | 0.698 | 57% | 0.568 | S | S | * | * | H | α-helix | trans | -64 | -36.6 | 176.6 | -170.8 | -179.2 | -178.7 | -158.5 | 3.3 | 112 | E409 D410 S411 K417 | E409-R413 VanDerWaalsContact O-CB 3.31Å; E409-R413 WeakPolarHBondContact O-CB 3.41Å; E409-R413 PolarHBondContact O-N 2.91Å; D410-R413 PolarHBondContact O-N 3.39Å; S411-R413 PolarHBondContact O-N 3.49Å; R413-K417 WeakPolarHBondContact O-CB 3.5Å; R413-K417 PolarHBondContact O-N 3.21Å |
| 414 | S | 89.9 | Confident | 83.2 | Confident | 77 Ų | 77 | 97.7 Ų | 97.7 | 54% | 0.538 | 55% | 0.548 | S | S | . | . | H | α-helix | trans | -66.2 | -42.8 | 173.3 | -169.3 | 0 | 0 | 0 | 0 | 111.5 | D410 S411 T412 K417 A418 | D410-S414 WeakPolarHBondContact O-CB 3.46Å; D410-S414 PolarHBondContact O-N 2.83Å; S411-S414 WeakPolarHBondContact O-CB 3.41Å; S411-S414 PolarHBondContact O-N 3.17Å; T412-S414 VanDerWaalsContact C-N 3.31Å; T412-S414 PolarHBondContact O-N 3.01Å; S414-K417 WeakPolarHBondContact O-CB 3.38Å; S414-K417 PolarHBondContact O-N 3.28Å; S414-A418 WeakPolarHBondContact O-CB 3.47Å; S414-A418 PolarHBondContact O-N 3.03Å |
| 415 | L | 93.8 | Very high | 85.3 | Confident | 101 Ų | 101 | 100.9 Ų | 100.9 | 53% | 0.529 | 55% | 0.545 | S | S | . | . | H | α-helix | trans | -61 | -48.3 | 173.9 | 178.3 | 61.9 | 0 | 0 | 0 | 112 | S411 T412 K417 A418 L419 | S411-L415 PolarHBondContact O-N 3.01Å; T412-L415 WeakPolarHBondContact O-CB 3.32Å; T412-L415 PolarHBondContact O-N 3.4Å; L415-K417 VanDerWaalsContact C-N 3.28Å; L415-K417 PolarHBondContact O-N 3.39Å; L415-A418 PolarHBondContact O-N 3.26Å; L415-A418 VanDerWaalsContact O-N 3.14Å; L415-L419 HydrophobicContact CD1-CD1 4.15Å; L415-L419 HydrophobicContact CD1-CG 4.2Å; L415-L419 HydrophobicContact CG-CD1 4.13Å; L415-L419 WeakPolarHBondContact O-CG 3.19Å; L415-L419 PolarHBondContact O-N 3.08Å |
| 416 | H | 95.1 | Very high | 87.1 | Confident | 130 Ų | 130 | 96.5 Ų | 96.5 | 60% | 0.602 | 52% | 0.523 | S | S | * | . | H | α-helix | trans | -59.1 | -39.4 | 175.3 | -71.9 | 92.5 | 0 | 0 | 0 | 111.8 | T412 A420 | T412-H416 PolarHBondContact O-N 3.36Å; T412-H416 PolarHBondContact O-ND1 2.88Å; H416-A420 VanDerWaalsContact O-CB 3.3Å; H416-A420 WeakPolarHBondContact O-CB 3.47Å; H416-A420 PolarHBondContact O-N 3.46Å |
| 417 | K | 95.5 | Very high | 88.8 | Confident | 142 Ų | 142 | 98.3 Ų | 98.3 | 62% | 0.617 | 52% | 0.516 | S | S | * | . | H | α-helix | trans | -65.3 | -40.8 | 174.6 | -176.6 | -175.5 | 176.1 | -174.1 | 0 | 112.2 | R413 S414 L415 A420 L421 | R413-K417 WeakPolarHBondContact O-CB 3.5Å; R413-K417 PolarHBondContact O-N 3.21Å; S414-K417 WeakPolarHBondContact O-CB 3.38Å; S414-K417 PolarHBondContact O-N 3.28Å; L415-K417 VanDerWaalsContact C-N 3.28Å; L415-K417 PolarHBondContact O-N 3.39Å; K417-A420 PolarHBondContact O-N 3.33Å; K417-L421 HydrophobicContact CG-CD1 4.14Å; K417-L421 VanDerWaalsContact O-CG 3.31Å; K417-L421 WeakPolarHBondContact O-CG 3.25Å; K417-L421 PolarHBondContact O-N 2.79Å |
| 418 | A | 95.5 | Very high | 90.1 | Very high | 53 Ų | 53 | 102.7 Ų | 102.7 | 44% | 0.438 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -63.7 | -49.7 | 177.9 | 0 | 0 | 0 | 0 | 0 | 111.2 | S414 L415 A420 L421 E422 | S414-A418 WeakPolarHBondContact O-CB 3.47Å; S414-A418 PolarHBondContact O-N 3.03Å; L415-A418 PolarHBondContact O-N 3.26Å; L415-A418 VanDerWaalsContact O-N 3.14Å; A418-A420 VanDerWaalsContact C-N 3.32Å; A418-A420 PolarHBondContact O-N 2.97Å; A418-L421 PolarHBondContact O-N 2.96Å; A418-L421 VanDerWaalsContact O-N 3.16Å; A418-E422 WeakPolarHBondContact O-CB 3.33Å; A418-E422 PolarHBondContact O-N 3.15Å |
| 419 | L | 97.1 | Very high | 91.2 | Very high | 94 Ų | 94 | 102 Ų | 102 | 49% | 0.492 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -62.4 | -36.3 | 177.3 | -65.1 | 172.2 | 0 | 0 | 0 | 112.4 | L415 E422 G423 | L415-L419 HydrophobicContact CD1-CD1 4.15Å; L415-L419 HydrophobicContact CD1-CG 4.2Å; L415-L419 HydrophobicContact CG-CD1 4.13Å; L415-L419 WeakPolarHBondContact O-CG 3.19Å; L415-L419 PolarHBondContact O-N 3.08Å; L419-E422 PolarHBondContact O-N 3.41Å; L419-G423 PolarHBondContact O-N 3.04Å |
| 420 | A | 97 | Very high | 92 | Very high | 64 Ų | 64 | 104 Ų | 104 | 53% | 0.529 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -66.8 | -38.5 | 174.4 | 0 | 0 | 0 | 0 | 0 | 112.7 | H416 K417 A418 L424 | H416-A420 VanDerWaalsContact O-CB 3.3Å; H416-A420 WeakPolarHBondContact O-CB 3.47Å; H416-A420 PolarHBondContact O-N 3.46Å; K417-A420 PolarHBondContact O-N 3.33Å; A418-A420 VanDerWaalsContact C-N 3.32Å; A418-A420 PolarHBondContact O-N 2.97Å; A420-L424 WeakPolarHBondContact O-CB 3.48Å; A420-L424 PolarHBondContact O-N 3.14Å |
| 421 | L | 97.1 | Very high | 92.7 | Very high | 100 Ų | 100 | 104.9 Ų | 104.9 | 52% | 0.524 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -72.7 | -33.9 | 176 | -71 | 170.5 | 0 | 0 | 0 | 112.3 | K417 A418 R425 | K417-L421 HydrophobicContact CG-CD1 4.14Å; K417-L421 VanDerWaalsContact O-CG 3.31Å; K417-L421 WeakPolarHBondContact O-CG 3.25Å; K417-L421 PolarHBondContact O-N 2.79Å; A418-L421 PolarHBondContact O-N 2.96Å; A418-L421 VanDerWaalsContact O-N 3.16Å; L421-R425 WeakPolarHBondContact O-CB 3.27Å; L421-R425 PolarHBondContact O-N 2.99Å |
| 422 | E | 95.4 | Very high | 93 | Very high | 107 Ų | 107 | 103.7 Ų | 103.7 | 50% | 0.5 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -65.1 | -48.2 | 171 | -176.6 | 167.7 | -139.7 | 0 | 0 | 111.2 | A418 L419 L424 R425 D426 | A418-E422 WeakPolarHBondContact O-CB 3.33Å; A418-E422 PolarHBondContact O-N 3.15Å; L419-E422 PolarHBondContact O-N 3.41Å; E422-L424 VanDerWaalsContact C-N 3.3Å; E422-L424 PolarHBondContact O-N 2.86Å; E422-R425 WeakPolarHBondContact O-CB 3.31Å; E422-R425 PolarHBondContact O-N 3.3Å; E422-R425 VanDerWaalsContact O-N 3.14Å; E422-D426 PolarHBondContact O-N 2.98Å |
| 423 | G | 97.1 | Very high | 92.6 | Very high | 41 Ų | 41 | 107.6 Ų | 107.6 | 42% | 0.423 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -59.5 | -38.1 | 174.2 | 0 | 0 | 0 | 0 | 0 | 113.4 | L419 W427 | L419-G423 PolarHBondContact O-N 3.04Å; G423-W427 WeakPolarHBondContact O-CB 3.49Å; G423-W427 PolarHBondContact O-N 2.97Å |
| 424 | L | 97 | Very high | 91.4 | Very high | 104 Ų | 104 | 100.8 Ų | 100.8 | 55% | 0.545 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -69 | -39.6 | 174.3 | -177.8 | 62.3 | 0 | 0 | 0 | 112.3 | A420 E422 W427 Y428 | A420-L424 WeakPolarHBondContact O-CB 3.48Å; A420-L424 PolarHBondContact O-N 3.14Å; E422-L424 VanDerWaalsContact C-N 3.3Å; E422-L424 PolarHBondContact O-N 2.86Å; L424-W427 HydrophobicContact CD1-CE3 4.43Å; L424-W427 PolarHBondContact O-N 2.87Å; L424-Y428 WeakPolarHBondContact O-CB 3.47Å; L424-Y428 PolarHBondContact O-N 3.47Å |
| 425 | R | 97.1 | Very high | 89.9 | Confident | 165 Ų | 165 | 107.8 Ų | 107.8 | 62% | 0.623 | 53% | 0.534 | S | S | * | . | H | α-helix | trans | -61.2 | -48.9 | 173.5 | 178.6 | -170.4 | 179.9 | -153.3 | 0.5 | 110.8 | L421 E422 W427 Y428 L429 | L421-R425 WeakPolarHBondContact O-CB 3.27Å; L421-R425 PolarHBondContact O-N 2.99Å; E422-R425 WeakPolarHBondContact O-CB 3.31Å; E422-R425 PolarHBondContact O-N 3.3Å; E422-R425 VanDerWaalsContact O-N 3.14Å; R425-W427 VanDerWaalsContact C-N 3.32Å; R425-W427 PolarHBondContact O-N 2.83Å; R425-Y428 WeakPolarHBondContact O-CB 3.48Å; R425-Y428 PolarHBondContact O-N 3.02Å; R425-Y428 VanDerWaalsContact O-N 3.14Å; R425-L429 HydrophobicContact CG-CD1 4.11Å; R425-L429 HydrophobicContact CG-CG 4.45Å; R425-L429 WeakPolarHBondContact O-CG 3.49Å; R425-L429 PolarHBondContact O-N 2.69Å |
| 426 | D | 95.2 | Very high | 88.2 | Confident | 66 Ų | 66 | 108.3 Ų | 108.3 | 35% | 0.353 | 54% | 0.543 | S | S | . | . | H | α-helix | trans | -68.1 | -32.5 | 179.1 | -85.1 | 18.8 | 0 | 0 | 0 | 112.3 | E422 R430 | E422-D426 PolarHBondContact O-N 2.98Å; D426-R430 WeakPolarHBondContact O-CB 3.14Å; D426-R430 WeakPolarHBondContact O-CG 3.43Å; D426-R430 PolarHBondContact O-N 2.93Å; D426-R430 VanDerWaalsContact O-N 3.17Å; D426-R430 PolarHBondContact O-NE 3.08Å; D426-R430 PolarHBondContact O-NH2 3.32Å |
| 427 | W | 96.1 | Very high | 85.9 | Confident | 144 Ų | 144 | 107.9 Ų | 107.9 | 55% | 0.545 | 55% | 0.552 | S | S | . | * | H | α-helix | trans | -62.4 | -48 | 168.1 | -177.7 | 89.8 | 0 | 0 | 0 | 110.9 | G423 L424 R425 L429 R430 N431 | G423-W427 WeakPolarHBondContact O-CB 3.49Å; G423-W427 PolarHBondContact O-N 2.97Å; L424-W427 HydrophobicContact CD1-CE3 4.43Å; L424-W427 PolarHBondContact O-N 2.87Å; R425-W427 VanDerWaalsContact C-N 3.32Å; R425-W427 PolarHBondContact O-N 2.83Å; W427-L429 PolarHBondContact O-N 2.75Å; W427-R430 PolarHBondContact O-N 2.99Å; W427-N431 HydrophobicContact CH2-CB 4.44Å; W427-N431 HydrophobicContact CZ2-CB 4.31Å; W427-N431 PolarHBondContact NE1-ND2 3.45Å; W427-N431 WeakPolarHBondContact O-CB 3.47Å; W427-N431 PolarHBondContact O-N 3.47Å; W427-N431 VanDerWaalsContact O-N 3.09Å; W427-N431 PolarHBondContact O-ND2 2.94Å |
| 428 | Y | 95.6 | Very high | 83.6 | Confident | 149 Ų | 149 | 106.8 Ų | 106.8 | 58% | 0.584 | 56% | 0.562 | S | S | * | * | H | α-helix | trans | -61.9 | -44.5 | 177.8 | -171.9 | -94.2 | 0 | 0 | 0 | 112 | L424 R425 R430 N431 A432 | L424-Y428 WeakPolarHBondContact O-CB 3.47Å; L424-Y428 PolarHBondContact O-N 3.47Å; R425-Y428 WeakPolarHBondContact O-CB 3.48Å; R425-Y428 PolarHBondContact O-N 3.02Å; R425-Y428 VanDerWaalsContact O-N 3.14Å; Y428-R430 VanDerWaalsContact C-N 3.25Å; Y428-R430 PolarHBondContact O-N 3.49Å; Y428-N431 PolarHBondContact O-N 2.83Å; Y428-N431 VanDerWaalsContact O-N 3.17Å; Y428-A432 HydrophobicContact CD1-CB 3.79Å; Y428-A432 HydrophobicContact CD2-CB 3.96Å; Y428-A432 HydrophobicContact CE1-CB 3.46Å; Y428-A432 VanDerWaalsContact CE1-CB 3.46Å; Y428-A432 HydrophobicContact CE2-CB 3.66Å; Y428-A432 HydrophobicContact CG-CB 4.03Å; Y428-A432 WeakPolarHBondContact O-CB 3.4Å; Y428-A432 PolarHBondContact O-N 2.9Å |
| 429 | L | 92.7 | Very high | 81.1 | Confident | 74 Ų | 74 | 108.9 Ų | 108.9 | 39% | 0.387 | 58% | 0.579 | S | S | . | * | H | α-helix | trans | -60 | -33.1 | 176.6 | -70.2 | 173.6 | 0 | 0 | 0 | 112.8 | R425 W427 F433 | R425-L429 HydrophobicContact CG-CD1 4.11Å; R425-L429 HydrophobicContact CG-CG 4.45Å; R425-L429 WeakPolarHBondContact O-CG 3.49Å; R425-L429 PolarHBondContact O-N 2.69Å; W427-L429 PolarHBondContact O-N 2.75Å; L429-F433 HydrophobicContact CD2-CD2 4.28Å; L429-F433 HydrophobicContact CD2-CE2 3.84Å; L429-F433 WeakPolarHBondContact O-CD2 3.41Å |
| 430 | R | 88.9 | Confident | 78.7 | Confident | 167 Ų | 167 | 110.3 Ų | 110.3 | 63% | 0.63 | 60% | 0.597 | S | S | * | * | H | α-helix | trans | -84.3 | -16.2 | 177.8 | -72.6 | 174.2 | -68.3 | -155.7 | 2 | 114.8 | D426 W427 Y428 | D426-R430 WeakPolarHBondContact O-CB 3.14Å; D426-R430 WeakPolarHBondContact O-CG 3.43Å; D426-R430 PolarHBondContact O-N 2.93Å; D426-R430 VanDerWaalsContact O-N 3.17Å; D426-R430 PolarHBondContact O-NE 3.08Å; D426-R430 PolarHBondContact O-NH2 3.32Å; W427-R430 PolarHBondContact O-N 2.99Å; Y428-R430 VanDerWaalsContact C-N 3.25Å; Y428-R430 PolarHBondContact O-N 3.49Å |
| 431 | N | 90.6 | Very high | 76.4 | Confident | 86 Ų | 86 | 117.3 Ų | 117.3 | 46% | 0.46 | 62% | 0.616 | S | S | . | * | H | α-helix | trans | -116.4 | -30.9 | -174.4 | -70.1 | -91.3 | 0 | 0 | 0 | 113.9 | W427 Y428 | W427-N431 HydrophobicContact CH2-CB 4.44Å; W427-N431 HydrophobicContact CZ2-CB 4.31Å; W427-N431 PolarHBondContact NE1-ND2 3.45Å; W427-N431 WeakPolarHBondContact O-CB 3.47Å; W427-N431 PolarHBondContact O-N 3.47Å; W427-N431 VanDerWaalsContact O-N 3.09Å; W427-N431 PolarHBondContact O-ND2 2.94Å; Y428-N431 PolarHBondContact O-N 2.83Å; Y428-N431 VanDerWaalsContact O-N 3.17Å |
| 432 | A | 83.1 | Confident | 74 | Confident | 50 Ų | 50 | 116 Ų | 116 | 41% | 0.413 | 63% | 0.626 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -81.8 | -33.9 | 178.6 | 0 | 0 | 0 | 0 | 0 | 112.4 | Y428 G434 | Y428-A432 HydrophobicContact CD1-CB 3.79Å; Y428-A432 HydrophobicContact CD2-CB 3.96Å; Y428-A432 HydrophobicContact CE1-CB 3.46Å; Y428-A432 VanDerWaalsContact CE1-CB 3.46Å; Y428-A432 HydrophobicContact CE2-CB 3.66Å; Y428-A432 HydrophobicContact CG-CB 4.03Å; Y428-A432 WeakPolarHBondContact O-CB 3.4Å; Y428-A432 PolarHBondContact O-N 2.9Å; A432-G434 PolarHBondContact O-N 3.2Å |
| 433 | F | 71.6 | Confident | 71.2 | Confident | 161 Ų | 161 | 119.8 Ų | 119.8 | 71% | 0.706 | 64% | 0.643 | S | S | * | * | S | Bend | trans | -78.1 | 62.9 | 157.9 | -64.4 | -67 | 0 | 0 | 0 | 108.7 | L429 | L429-F433 HydrophobicContact CD2-CD2 4.28Å; L429-F433 HydrophobicContact CD2-CE2 3.84Å; L429-F433 WeakPolarHBondContact O-CD2 3.41Å |
| 434 | G | 59.1 | Low | 68.6 | Low | 42 Ų | 42 | 126.5 Ų | 126.5 | 43% | 0.433 | 66% | 0.664 | S | S | . | * | | | trans | -56.8 | 154.4 | -175.8 | 0 | 0 | 0 | 0 | 0 | 112 | A432 | A432-G434 PolarHBondContact O-N 3.2Š|
| 435 | Y | 56.7 | Low | 65.9 | Low | 224 Ų | 224 | 125.7 Ų | 125.7 | 88% | 0.878 | 67% | 0.672 | S | S | * | * | | | trans | -36.8 | 127.9 | 179.1 | -69.6 | -94.9 | 0 | 0 | 0 | 111.6 | | |
| 436 | P | 58.7 | Low | 63.6 | Low | 111 Ų | 111 | 121.9 Ų | 121.9 | 72% | 0.721 | 68% | 0.684 | S | S | * | * | | | trans | -55.3 | 132.3 | -179.4 | 23.7 | -33.4 | 0 | 0 | 0 | 108.7 | S438 | P436-S438 PolarHBondContact O-N 3.46Š|
| 437 | P | 46.4 | Very low | 61.1 | Low | 122 Ų | 122 | 124.9 Ų | 124.9 | 79% | 0.792 | 70% | 0.699 | S | S | * | * | | | trans | -55.1 | 129.9 | -178.4 | 23.4 | -33.4 | 0 | 0 | 0 | 108.3 | A439 | P437-A439 PolarHBondContact O-N 3.03Š|
| 438 | S | 47.5 | Very low | 58.6 | Low | 118 Ų | 118 | 124 Ų | 124 | 83% | 0.825 | 71% | 0.714 | S | S | * | * | | | trans | -47.8 | 110.3 | -170.4 | 52.8 | 0 | 0 | 0 | 0 | 110.4 | P436 S440 | P436-S438 PolarHBondContact O-N 3.46Å; S438-S440 PolarHBondContact O-N 3.01Å |
| 439 | A | 42.9 | Very low | 55.9 | Low | 97 Ų | 97 | 127.5 Ų | 127.5 | 80% | 0.802 | 73% | 0.727 | S | S | * | * | | | trans | -54 | 128.2 | -168.8 | 0 | 0 | 0 | 0 | 0 | 110.5 | P437 K441 | P437-A439 PolarHBondContact O-N 3.03Å; A439-K441 VanDerWaalsContact C-N 3.31Å; A439-K441 PolarHBondContact O-N 2.93Å |
| 440 | S | 46.7 | Very low | 53.3 | Low | 124 Ų | 124 | 130.7 Ų | 130.7 | 87% | 0.867 | 74% | 0.743 | S | S | * | * | | | trans | -67.3 | 87.5 | -176.3 | 53.4 | 0 | 0 | 0 | 0 | 111 | S438 | S438-S440 PolarHBondContact O-N 3.01Š|
| 441 | K | 48 | Very low | 50.7 | Low | 211 Ų | 211 | 128.1 Ų | 128.1 | 92% | 0.917 | 75% | 0.751 | S | S | * | * | S | Bend | trans | 41.9 | 78.9 | 162.6 | -165.2 | -177.9 | 178.8 | -179 | 0 | 115.5 | A439 | A439-K441 VanDerWaalsContact C-N 3.31Å; A439-K441 PolarHBondContact O-N 2.93Å |
| 442 | G | 46.8 | Very low | 48.1 | Very low | 72 Ų | 72 | 131.2 Ų | 131.2 | 74% | 0.742 | 76% | 0.762 | S | S | * | * | | | trans | 119.1 | 88.8 | 148.6 | 0 | 0 | 0 | 0 | 0 | 117.2 | | |
| 443 | H | 36.9 | Very low | 46.3 | Very low | 187 Ų | 187 | 134.7 Ų | 134.7 | 87% | 0.866 | 78% | 0.781 | S | S | * | * | | | | -153.3 | 147 | 127.8 | -147.1 | -80.7 | 0 | 0 | 0 | 109.9 | | |
| 444 | E | 43.6 | Very low | 44.7 | Very low | 183 Ų | 183 | 135.5 Ų | 135.5 | 86% | 0.855 | 79% | 0.786 | S | S | * | * | | | trans | -75.4 | 134.2 | 163 | -77.1 | -154.9 | 132.9 | 0 | 0 | 110.5 | | |
| 445 | A | 39.2 | Very low | 43.8 | Very low | 87 Ų | 87 | 138.7 Ų | 138.7 | 72% | 0.719 | 80% | 0.799 | S | S | * | * | | | trans | 176.3 | 116.3 | 138 | 0 | 0 | 0 | 0 | 0 | 109.3 | | |
| 446 | G | 48.5 | Very low | 43.1 | Very low | 84 Ų | 84 | 135.3 Ų | 135.3 | 87% | 0.866 | 80% | 0.796 | S | S | * | * | | | trans | -79.8 | 120.9 | 175 | 0 | 0 | 0 | 0 | 0 | 111.9 | | |
| 447 | I | 44.5 | Very low | 42.1 | Very low | 129 Ų | 129 | 136 Ų | 136 | 66% | 0.662 | 80% | 0.797 | S | S | * | * | | | trans | -137.6 | 72.6 | 170.1 | -22.8 | 175.4 | 0 | 0 | 0 | 112.1 | R449 | I447-R449 HydrophobicContact CG2-CG 3.81Å; I447-R449 PolarHBondContact O-N 3.42Å |
| 448 | S | 42.1 | Very low | 41.7 | Very low | 125 Ų | 125 | 139 Ų | 139 | 87% | 0.874 | 80% | 0.8 | S | S | * | * | | | trans | -69.7 | 76.7 | 171.2 | -61.3 | 0 | 0 | 0 | 0 | 111.5 | L450 | S448-L450 PolarHBondContact O-N 3.15Š|
| 449 | R | 40.2 | Very low | 40.9 | Very low | 224 Ų | 224 | 140.4 Ų | 140.4 | 85% | 0.845 | 79% | 0.794 | S | S | * | * | | | trans | -76 | 72.6 | 175.6 | -70.5 | -159.2 | 170.6 | -153.2 | -2.3 | 111.9 | I447 S451 | I447-R449 HydrophobicContact CG2-CG 3.81Å; I447-R449 PolarHBondContact O-N 3.42Å; R449-S451 PolarHBondContact O-N 3.26Å |
| 450 | L | 37.8 | Very low | 40.6 | Very low | 141 Ų | 141 | 140.7 Ų | 140.7 | 74% | 0.738 | 80% | 0.796 | S | S | * | * | | | trans | -69 | 91.5 | 164.7 | -172.7 | 72.1 | 0 | 0 | 0 | 109 | S448 H452 | S448-L450 PolarHBondContact O-N 3.15Å; L450-H452 PolarHBondContact O-N 3.02Å; L450-H452 VanDerWaalsContact O-N 3.15Å |
| 451 | S | 33.4 | Very low | 39.9 | Very low | 112 Ų | 112 | 142.5 Ų | 142.5 | 78% | 0.783 | 79% | 0.791 | S | S | * | * | | | trans | -73.8 | 102.6 | -176 | 55.7 | 0 | 0 | 0 | 0 | 112 | R449 | R449-S451 PolarHBondContact O-N 3.26Š|
| 452 | H | 35.6 | Very low | 39.2 | Very low | 152 Ų | 152 | 138 Ų | 138 | 70% | 0.704 | 79% | 0.786 | S | S | * | * | P | Polyproline II helix | trans | -78.2 | 148.2 | 166.7 | -69.3 | -17.6 | 0 | 0 | 0 | 111.6 | L450 | L450-H452 PolarHBondContact O-N 3.02Å; L450-H452 VanDerWaalsContact O-N 3.15Å |
| 453 | P | 46 | Very low | 38.6 | Very low | 123 Ų | 123 | 143.2 Ų | 143.2 | 80% | 0.799 | 80% | 0.796 | S | S | * | * | P | Polyproline II helix | trans | -74.3 | 134.5 | 177 | 30.5 | -34.2 | 0 | 0 | 0 | 111.5 | P455 | P453-P455 WeakPolarHBondContact O-CD 3.44Š|
| 454 | H | 38 | Very low | 38.5 | Very low | 178 Ų | 178 | 143.8 Ų | 143.8 | 82% | 0.824 | 80% | 0.799 | S | S | * | * | P | Polyproline II helix | trans | -85.3 | 123.4 | 176 | -123.5 | -61.8 | 0 | 0 | 0 | 110.7 | L456 | H454-L456 PolarHBondContact O-N 3.42Š|
| 455 | P | 40.6 | Very low | 37.9 | Very low | 109 Ų | 109 | 138.6 Ų | 138.6 | 71% | 0.708 | 80% | 0.795 | S | S | * | * | P | Polyproline II helix | trans | -77.2 | 116.6 | 161.9 | 30.5 | -30.1 | 0 | 0 | 0 | 108.6 | P453 | P453-P455 WeakPolarHBondContact O-CD 3.44Š|
| 456 | L | 42.1 | Very low | 37.5 | Very low | 153 Ų | 153 | 142.8 Ų | 142.8 | 80% | 0.801 | 80% | 0.8 | S | S | * | * | | | trans | -95.4 | 101.9 | -179.7 | -148 | 171.2 | 0 | 0 | 0 | 109.1 | H454 | H454-L456 PolarHBondContact O-N 3.42Š|
| 457 | V | 36.5 | Very low | 36.7 | Very low | 124 Ų | 124 | 144.8 Ų | 144.8 | 75% | 0.752 | 80% | 0.796 | S | S | * | * | | | trans | -78.3 | 128.2 | 175.3 | 178 | 0 | 0 | 0 | 0 | 109.1 | Q459 | V457-Q459 PolarHBondContact O-N 3.24Š|
| 458 | H | 39.3 | Very low | 36.3 | Very low | 186 Ų | 186 | 142.8 Ų | 142.8 | 86% | 0.861 | 80% | 0.798 | S | S | * | * | | | trans | -68.5 | 117.9 | 173.8 | -68.8 | -99.5 | 0 | 0 | 0 | 110.5 | | |
| 459 | Q | 29.6 | Very low | 36.1 | Very low | 148 Ų | 148 | 144.3 Ų | 144.3 | 69% | 0.692 | 80% | 0.797 | S | S | * | * | | | trans | -120.7 | 101.4 | 164.4 | -178.4 | 168 | -17.9 | 0 | 0 | 108.9 | V457 Q461 | V457-Q459 PolarHBondContact O-N 3.24Å; Q459-Q461 HydrophobicContact CG-CG 4.3Å; Q459-Q461 VanDerWaalsContact NE2-OE1 3.13Å |
| 460 | A | 37.1 | Very low | 35.8 | Very low | 103 Ų | 103 | 141.2 Ų | 141.2 | 85% | 0.851 | 80% | 0.796 | S | S | * | * | | | trans | -86.3 | 115.7 | 171.4 | 0 | 0 | 0 | 0 | 0 | 109.2 | | |
| 461 | Q | 32.7 | Very low | 35.8 | Very low | 162 Ų | 162 | 142.8 Ų | 142.8 | 76% | 0.757 | 80% | 0.799 | S | S | * | * | | | trans | -135 | 112.4 | 166.9 | -75.6 | -178 | -27.5 | 0 | 0 | 108.2 | Q459 | Q459-Q461 HydrophobicContact CG-CG 4.3Å; Q459-Q461 VanDerWaalsContact NE2-OE1 3.13Å |
| 462 | S | 33.9 | Very low | 35.8 | Very low | 117 Ų | 117 | 148.5 Ų | 148.5 | 82% | 0.818 | 80% | 0.804 | S | S | * | * | | | trans | -88.7 | 134.6 | 168.1 | 67.1 | 0 | 0 | 0 | 0 | 109.3 | | |
| 463 | L | 32.8 | Very low | 36 | Very low | 181 Ų | 181 | 146.9 Ų | 146.9 | 95% | 0.948 | 81% | 0.806 | S | S | * | * | | | trans | -144.4 | 136.6 | 160 | -91.5 | 178.4 | 0 | 0 | 0 | 109.6 | | |
| 464 | Q | 34.7 | Very low | 35.7 | Very low | 198 Ų | 198 | 149.7 Ų | 149.7 | 93% | 0.925 | 81% | 0.809 | S | S | * | * | | | trans | -94.3 | 128.7 | 172.2 | -173.7 | 98.3 | 1.7 | 0 | 0 | 107.1 | | |
| 465 | G | 31.2 | Very low | 36 | Very low | 75 Ų | 75 | 147.5 Ų | 147.5 | 77% | 0.773 | 80% | 0.802 | S | S | * | * | | | trans | 171.8 | 71.9 | -177 | 0 | 0 | 0 | 0 | 0 | 117.6 | | |
| 466 | E | 30.5 | Very low | 35.9 | Very low | 174 Ų | 174 | 148.4 Ų | 148.4 | 81% | 0.813 | 81% | 0.808 | S | S | * | * | | | trans | 35.3 | 117.3 | 135.6 | -151.9 | 159.1 | -178.6 | 0 | 0 | 123.1 | | |
| 467 | T | 33 | Very low | 36.1 | Very low | 127 Ų | 127 | 149 Ų | 149 | 78% | 0.779 | 81% | 0.807 | S | S | * | * | | | trans | 74.3 | 150.9 | 146.9 | 58.8 | 0 | 0 | 0 | 0 | 124.3 | | |
| 468 | A | 35.2 | Very low | 36.3 | Very low | 86 Ų | 86 | 148 Ų | 148 | 71% | 0.711 | 81% | 0.805 | S | S | * | * | | | trans | 73.3 | 102 | 153.6 | 0 | 0 | 0 | 0 | 0 | 120.7 | | |
| 469 | N | 37.7 | Very low | 36.6 | Very low | 158 Ų | 158 | 144.6 Ų | 144.6 | 85% | 0.845 | 81% | 0.809 | S | S | * | * | | | trans | 34.6 | 114.4 | 142.2 | -65.4 | -58.1 | 0 | 0 | 0 | 120.2 | | |
| 470 | L | 34.1 | Very low | 37.2 | Very low | 158 Ų | 158 | 141.4 Ų | 141.4 | 83% | 0.827 | 80% | 0.803 | S | S | * | * | | | | -164.8 | 163.3 | 117.7 | -104.7 | 163.5 | 0 | 0 | 0 | 112.5 | | |
| 471 | Q | 37.5 | Very low | 37.8 | Very low | 174 Ų | 174 | 146.3 Ų | 146.3 | 81% | 0.813 | 81% | 0.806 | S | S | * | * | P | Polyproline II helix | trans | -48.9 | 132.6 | -165.7 | -64.7 | 147.4 | -50.7 | 0 | 0 | 116.1 | | |
| 472 | R | 33.4 | Very low | 38.6 | Very low | 233 Ų | 233 | 146.1 Ų | 146.1 | 88% | 0.879 | 80% | 0.804 | S | S | * | * | P | Polyproline II helix | trans | -93.9 | 118.3 | 166.6 | 170.4 | -179.4 | -76.5 | 161.6 | -3.5 | 110.4 | Q474 | R472-Q474 PolarHBondContact O-N 2.78Š|
| 473 | P | 39.3 | Very low | 39.2 | Very low | 117 Ų | 117 | 143.1 Ų | 143.1 | 76% | 0.76 | 79% | 0.791 | S | S | * | * | P | Polyproline II helix | trans | -62.8 | 128 | 162.9 | -20.6 | 33.7 | 0 | 0 | 0 | 110.2 | I475 | P473-I475 PolarHBondContact O-N 3.24Š|
| 474 | Q | 39.6 | Very low | 39.8 | Very low | 182 Ų | 182 | 143 Ų | 143 | 85% | 0.85 | 79% | 0.786 | S | S | * | * | P | Polyproline II helix | trans | -82.9 | 119.5 | -171.4 | -167.5 | 171.2 | -2.6 | 0 | 0 | 111.3 | R472 | R472-Q474 PolarHBondContact O-N 2.78Š|
| 475 | I | 44.5 | Very low | 40.5 | Very low | 133 Ų | 133 | 139.4 Ų | 139.4 | 68% | 0.682 | 78% | 0.779 | S | S | * | * | P | Polyproline II helix | trans | -72.1 | 127.4 | 172.9 | -61.8 | 172 | 0 | 0 | 0 | 108.4 | P473 Q477 | P473-I475 PolarHBondContact O-N 3.24Å; I475-Q477 VanDerWaalsContact C-N 3.34Å; I475-Q477 HydrophobicContact CG2-CG 4.22Å; I475-Q477 PolarHBondContact O-N 2.89Å |
| 476 | P | 39.2 | Very low | 41.4 | Very low | 127 Ų | 127 | 143.6 Ų | 143.6 | 83% | 0.825 | 78% | 0.783 | S | S | * | * | | | trans | -74.7 | 87.2 | 174.6 | 30.5 | -33.9 | 0 | 0 | 0 | 110 | S478 | P476-S478 PolarHBondContact O-N 2.78Š|
| 477 | Q | 45.7 | Very low | 42.1 | Very low | 167 Ų | 167 | 144.5 Ų | 144.5 | 78% | 0.78 | 79% | 0.787 | S | S | * | * | | | trans | -76.2 | 121.1 | 171.4 | -73.1 | -169 | -34.8 | 0 | 0 | 110.5 | I475 | I475-Q477 VanDerWaalsContact C-N 3.34Å; I475-Q477 HydrophobicContact CG2-CG 4.22Å; I475-Q477 PolarHBondContact O-N 2.89Å |
| 478 | S | 42 | Very low | 42.6 | Very low | 102 Ų | 102 | 141.7 Ų | 141.7 | 71% | 0.713 | 78% | 0.783 | S | S | * | * | | | trans | 16.7 | 116.2 | 152.9 | 54 | 0 | 0 | 0 | 0 | 117.7 | P476 S480 | P476-S478 PolarHBondContact O-N 2.78Å; S478-S480 PolarHBondContact O-N 3.26Å |
| 479 | A | 44.9 | Very low | 43.1 | Very low | 114 Ų | 114 | 148.8 Ų | 148.8 | 94% | 0.942 | 79% | 0.791 | S | S | * | * | | | trans | -59.7 | 97.5 | 164.8 | 0 | 0 | 0 | 0 | 0 | 110.7 | | |
| 480 | S | 43.2 | Very low | 43.3 | Very low | 82 Ų | 82 | 146.9 Ų | 146.9 | 57% | 0.573 | 79% | 0.791 | S | S | * | * | | | trans | -81.6 | 124.5 | 168 | -176.6 | 0 | 0 | 0 | 0 | 108.6 | S478 H482 | S478-S480 PolarHBondContact O-N 3.26Å; S480-H482 VanDerWaalsContact C-N 3.26Å; S480-H482 PolarHBondContact O-N 3.27Å; S480-H482 PolarHBondContact OG-CE1 3.35Å; S480-H482 VanDerWaalsContact OG-CE1 3.26Å; S480-H482 PolarHBondContact OG-ND1 2.98Å |
| 481 | F | 48.7 | Very low | 43.7 | Very low | 206 Ų | 206 | 147.3 Ų | 147.3 | 90% | 0.904 | 79% | 0.79 | S | S | * | * | | | trans | -72.9 | 81.3 | 175.7 | -172.8 | -95.5 | 0 | 0 | 0 | 109.9 | | |
| 482 | H | 49.3 | Very low | 43.8 | Very low | 158 Ų | 158 | 147.9 Ų | 147.9 | 73% | 0.731 | 79% | 0.793 | S | S | * | * | P | Polyproline II helix | trans | -80.6 | 118.3 | 168.6 | -81.5 | 48.7 | 0 | 0 | 0 | 109.1 | S480 | S480-H482 VanDerWaalsContact C-N 3.26Å; S480-H482 PolarHBondContact O-N 3.27Å; S480-H482 PolarHBondContact OG-CE1 3.35Å; S480-H482 VanDerWaalsContact OG-CE1 3.26Å; S480-H482 PolarHBondContact OG-ND1 2.98Å |
| 483 | G | 47.5 | Very low | 43.9 | Very low | 53 Ų | 53 | 146.3 Ų | 146.3 | 55% | 0.546 | 79% | 0.793 | S | S | . | * | P | Polyproline II helix | trans | -62.2 | 152.8 | 167.1 | 0 | 0 | 0 | 0 | 0 | 111 | P485 | G483-P485 WeakPolarHBondContact O-CD 3.45Š|
| 484 | H | 44.2 | Very low | 43.9 | Very low | 180 Ų | 180 | 145.9 Ų | 145.9 | 83% | 0.833 | 79% | 0.793 | S | S | * | * | P | Polyproline II helix | trans | -57.8 | 124.5 | -177.3 | -64.4 | -85.6 | 0 | 0 | 0 | 111.8 | L486 | H484-L486 PolarHBondContact O-N 3.48Å; H484-L486 VanDerWaalsContact O-N 3.08Å |
| 485 | P | 50.3 | Low | 43.9 | Very low | 121 Ų | 121 | 145 Ų | 145 | 79% | 0.786 | 79% | 0.793 | S | S | * | * | | | trans | -69.4 | 105.1 | 163 | 29 | -31.2 | 0 | 0 | 0 | 108.1 | G483 H487 | G483-P485 WeakPolarHBondContact O-CD 3.45Å; P485-H487 PolarHBondContact O-N 3.26Å |
| 486 | L | 50.1 | Low | 43.6 | Very low | 163 Ų | 163 | 150 Ų | 150 | 85% | 0.853 | 81% | 0.805 | S | S | * | * | | | trans | -58.8 | 128.8 | 170.6 | -69.6 | 175.7 | 0 | 0 | 0 | 108.7 | H484 G488 | H484-L486 PolarHBondContact O-N 3.48Å; H484-L486 VanDerWaalsContact O-N 3.08Å; L486-G488 VanDerWaalsContact C-N 3.33Å; L486-G488 PolarHBondContact O-N 3.08Å |
| 487 | H | 44.7 | Very low | 43.2 | Very low | 194 Ų | 194 | 153.8 Ų | 153.8 | 90% | 0.898 | 81% | 0.812 | S | S | * | * | | | trans | -75.2 | 84.9 | -169.2 | -153.5 | 70.7 | 0 | 0 | 0 | 110.6 | P485 R489 | P485-H487 PolarHBondContact O-N 3.26Å; H487-R489 PolarHBondContact O-N 3.01Å |
| 488 | G | 42.8 | Very low | 42.4 | Very low | 67 Ų | 67 | 155.2 Ų | 155.2 | 69% | 0.691 | 82% | 0.816 | S | S | * | * | P | Polyproline II helix | trans | -58.4 | 130.9 | 178 | 0 | 0 | 0 | 0 | 0 | 111.5 | L486 | L486-G488 VanDerWaalsContact C-N 3.33Å; L486-G488 PolarHBondContact O-N 3.08Å |
| 489 | R | 46.8 | Very low | 42 | Very low | 235 Ų | 235 | 156.4 Ų | 156.4 | 89% | 0.887 | 82% | 0.818 | S | S | * | * | P | Polyproline II helix | trans | -52.3 | 141.1 | -172.1 | -66.6 | 175.7 | 172.8 | -177.1 | -4.3 | 112.9 | H487 | H487-R489 PolarHBondContact O-N 3.01Š|
| 490 | S | 42.5 | Very low | 42.1 | Very low | 119 Ų | 119 | 157 Ų | 157 | 83% | 0.832 | 81% | 0.813 | S | S | * | * | P | Polyproline II helix | trans | -55.1 | 136.3 | 167.1 | -176 | 0 | 0 | 0 | 0 | 111.3 | | |
| 491 | M | 41.3 | Very low | 41.7 | Very low | 166 Ų | 166 | 160.3 Ų | 160.3 | 82% | 0.818 | 82% | 0.824 | S | S | * | * | | | trans | -125.2 | 93.7 | 165.8 | -77.9 | -173.5 | 172 | 0 | 0 | 109.5 | F493 | M491-F493 PolarHBondContact O-N 3.01Š|
| 492 | E | 40.6 | Very low | 41.7 | Very low | 187 Ų | 187 | 155.5 Ų | 155.5 | 87% | 0.874 | 81% | 0.814 | S | S | * | * | | | | 34.1 | 79.9 | 126.7 | -162.8 | 161.8 | -151 | 0 | 0 | 117.6 | | |
| 493 | F | 35.5 | Very low | 40.8 | Very low | 199 Ų | 199 | 155.8 Ų | 155.8 | 87% | 0.873 | 82% | 0.815 | S | S | * | * | | | trans | -87.3 | 103.8 | 155.1 | -83.1 | -95 | 0 | 0 | 0 | 109.6 | M491 | M491-F493 PolarHBondContact O-N 3.01Š|
| 494 | S | 38.8 | Very low | 40.1 | Very low | 108 Ų | 108 | 161.1 Ų | 161.1 | 76% | 0.755 | 82% | 0.823 | S | S | * | * | | | trans | 169.9 | 96.9 | 141.6 | -80.8 | 0 | 0 | 0 | 0 | 113.6 | | |
| 495 | L | 39.2 | Very low | 39.5 | Very low | 165 Ų | 165 | 160 Ų | 160 | 86% | 0.864 | 82% | 0.818 | S | S | * | * | | | trans | -145.4 | 92.1 | 155.9 | -78.3 | -177.7 | 0 | 0 | 0 | 109.9 | | |
| 496 | Y | 38.2 | Very low | 38.4 | Very low | 237 Ų | 237 | 162.1 Ų | 162.1 | 93% | 0.929 | 82% | 0.818 | S | S | * | * | | | trans | 169.3 | 81.3 | 145.8 | -98.8 | -64 | 0 | 0 | 0 | 111.8 | | |
| 497 | Q | 31.6 | Very low | 37.5 | Very low | 206 Ų | 206 | 158 Ų | 158 | 96% | 0.963 | 81% | 0.808 | S | S | * | * | | | trans | -156.3 | 157.5 | 139.9 | -118.8 | 175.4 | 15.2 | 0 | 0 | 113.9 | | |
| 498 | K | 28.5 | Very low | 36.9 | Very low | 198 Ų | 198 | 155.4 Ų | 155.4 | 86% | 0.861 | 81% | 0.805 | S | S | * | * | | | trans | -90.9 | 149.1 | -154.9 | -173 | 176.7 | 179.5 | 179 | 0 | 112.8 | | |
| 499 | T | 34.3 | Very low | 36.9 | Very low | 126 Ų | 126 | 157.7 Ų | 157.7 | 77% | 0.773 | 81% | 0.808 | S | S | * | * | | | trans | -57.8 | 161.2 | 173.3 | 12.2 | 0 | 0 | 0 | 0 | 113.9 | | |
| 500 | P | 45.8 | Very low | 36.1 | Very low | 127 Ų | 127 | 156 Ų | 156 | 83% | 0.825 | 81% | 0.808 | S | S | * | * | | | | -141.6 | 178.4 | 50.5 | 40.4 | -20.1 | 0 | 0 | 0 | 119.7 | | |
| 501 | D | 34.3 | Very low | 35.4 | Very low | 151 Ų | 151 | 158.3 Ų | 158.3 | 81% | 0.807 | 81% | 0.805 | S | S | * | * | | | trans | -51.5 | 178.6 | 171.1 | -110.7 | -38.4 | 0 | 0 | 0 | 117.1 | | |
| 502 | P | 48.5 | Very low | 35.7 | Very low | 106 Ų | 106 | 155.3 Ų | 155.3 | 69% | 0.688 | 80% | 0.798 | S | S | * | * | | | cis | -136.9 | -174.5 | -12.2 | 38.5 | -20.1 | 0 | 0 | 0 | 115.3 | | |
| 503 | Q | 31.1 | Very low | 35.1 | Very low | 163 Ų | 163 | 151.6 Ų | 151.6 | 76% | 0.762 | 79% | 0.792 | S | S | * | * | | | | 159.2 | 105.8 | 121.9 | -178.1 | 164.6 | -36.2 | 0 | 0 | 117.2 | | |
| 504 | K | 33.4 | Very low | 34.9 | Very low | 165 Ų | 165 | 146.5 Ų | 146.5 | 72% | 0.717 | 79% | 0.787 | S | S | * | * | | | trans | 56.9 | 147.4 | 140.8 | -65.2 | 177.6 | -177.6 | 179.9 | 0 | 124.4 | | |
| 505 | Q | 31.6 | Very low | 34.6 | Very low | 156 Ų | 156 | 148.7 Ų | 148.7 | 73% | 0.729 | 79% | 0.791 | S | S | * | * | | | trans | 69.9 | 144.4 | 151.4 | -79.8 | 169.4 | -86.9 | 0 | 0 | 117.7 | | |
| 506 | E | 26.1 | Very low | 35.1 | Very low | 166 Ų | 166 | 145.2 Ų | 145.2 | 78% | 0.776 | 78% | 0.778 | S | S | * | * | | | cis | -144.5 | 164.7 | -5 | -160.7 | 152 | 109.3 | 0 | 0 | 109.9 | | |
| 507 | A | 31.9 | Very low | 34.6 | Very low | 77 Ų | 77 | 140.8 Ų | 140.8 | 64% | 0.636 | 77% | 0.77 | S | S | * | * | | | trans | -142.3 | 171.1 | -174.8 | 0 | 0 | 0 | 0 | 0 | 112.7 | | |
| 508 | T | 32.9 | Very low | 34.5 | Very low | 139 Ų | 139 | 136.1 Ų | 136.1 | 85% | 0.853 | 76% | 0.76 | S | S | * | * | | | trans | 77.6 | 156.4 | 176.9 | 80.6 | 0 | 0 | 0 | 0 | 114.4 | | |
| 509 | P | 41.5 | Very low | 34.7 | Very low | 116 Ų | 116 | 133.3 Ų | 133.3 | 75% | 0.753 | 76% | 0.755 | S | S | * | * | | | cis | -133.2 | 162.2 | 14.6 | 42.4 | -26.3 | 0 | 0 | 0 | 119.1 | | |
| 510 | K | 29.9 | Very low | 34.7 | Very low | 200 Ų | 200 | 137.2 Ų | 137.2 | 87% | 0.87 | 76% | 0.761 | S | S | * | * | | | trans | 119.9 | 80.6 | 130.6 | -148.2 | 155.3 | -172.2 | 176.7 | 0 | 117.7 | | |
| 511 | E | 27.8 | Very low | 34 | Very low | 166 Ų | 166 | 136.2 Ų | 136.2 | 78% | 0.776 | 76% | 0.756 | S | S | * | * | | | trans | -46.5 | 174.6 | 138.6 | -110.3 | -146.4 | 107.9 | 0 | 0 | 113.8 | | |
| 512 | P | 48.2 | Very low | 33.9 | Very low | 104 Ų | 104 | 140.4 Ų | 140.4 | 68% | 0.675 | 76% | 0.761 | S | S | * | * | | | cis | -131.1 | 178.6 | 5.1 | 41.6 | -26.5 | 0 | 0 | 0 | 115 | | |
| 513 | S | 27.4 | Very low | 33.2 | Very low | 108 Ų | 108 | 141.1 Ų | 141.1 | 76% | 0.755 | 76% | 0.763 | S | S | * | * | | | | 160.6 | 105.3 | 118.7 | -176.2 | 0 | 0 | 0 | 0 | 114.4 | | |
| 514 | A | 32.5 | Very low | 33.2 | Very low | 93 Ų | 93 | 140.4 Ų | 140.4 | 77% | 0.769 | 76% | 0.763 | S | S | * | * | | | trans | 44 | 111 | 141.5 | 0 | 0 | 0 | 0 | 0 | 121.8 | | |
| 515 | D | 31.3 | Very low | 33.1 | Very low | 154 Ų | 154 | 139.2 Ų | 139.2 | 82% | 0.824 | 76% | 0.764 | S | S | * | * | | | trans | -31.8 | 172.2 | 131.3 | -100.3 | -25.1 | 0 | 0 | 0 | 116.8 | | |
| 516 | P | 50.8 | Low | 33.2 | Very low | 91 Ų | 91 | 140.4 Ų | 140.4 | 59% | 0.591 | 77% | 0.77 | S | S | * | * | | | cis | -136.1 | -161.5 | -12.9 | 35.7 | -14.4 | 0 | 0 | 0 | 113.2 | | |
| 517 | D | 27.7 | Very low | 33.6 | Very low | 145 Ų | 145 | 136.7 Ų | 136.7 | 78% | 0.775 | 77% | 0.768 | S | S | * | * | | | trans | 55.4 | 115.2 | 150.7 | -62.7 | -27.1 | 0 | 0 | 0 | 120.9 | | |
| 518 | S | 29.8 | Very low | 33.6 | Very low | 108 Ų | 108 | 142.6 Ų | 142.6 | 76% | 0.755 | 78% | 0.779 | S | S | * | * | | | | 170.3 | 148.9 | 97.2 | 45.3 | 0 | 0 | 0 | 0 | 114.7 | | |
| 519 | D | 32 | Very low | 33.6 | Very low | 138 Ų | 138 | 140.3 Ų | 140.3 | 74% | 0.738 | 77% | 0.769 | S | S | * | * | | | trans | 37.3 | 106.9 | 147.5 | -58.5 | -13.9 | 0 | 0 | 0 | 121.2 | | |
| 520 | K | 33.7 | Very low | 33.2 | Very low | 208 Ų | 208 | 141.9 Ų | 141.9 | 90% | 0.904 | 78% | 0.776 | S | S | * | * | | | | -132.5 | 115 | 125.9 | -69.5 | -164.7 | 177.4 | 178 | 0 | 110.9 | | |
| 521 | C | 31.3 | Very low | 33.6 | Very low | 107 Ų | 107 | 140.8 Ų | 140.8 | 72% | 0.723 | 77% | 0.771 | S | S | * | * | | | trans | -68.4 | 143.5 | -174.8 | -54.5 | 0 | 0 | 0 | 0 | 113.1 | V523 | C521-V523 HydrophobicContact CB-CG2 4.2Š|
| 522 | W | 32.5 | Very low | 34 | Very low | 238 Ų | 238 | 138.5 Ų | 138.5 | 90% | 0.902 | 77% | 0.769 | S | S | * | * | | | trans | -85.6 | 105.2 | 167.3 | -92.1 | 81 | 0 | 0 | 0 | 111 | | |
| 523 | V | 33.2 | Very low | 33.3 | Very low | 122 Ų | 122 | 138.7 Ų | 138.7 | 74% | 0.739 | 77% | 0.773 | S | S | * | * | | | trans | -150.7 | 119.9 | 177.1 | -174.4 | 0 | 0 | 0 | 0 | 105.2 | C521 | C521-V523 HydrophobicContact CB-CG2 4.2Š|
| 524 | I | 32 | Very low | 33.8 | Very low | 148 Ų | 148 | 140.6 Ų | 140.6 | 76% | 0.759 | 78% | 0.78 | S | S | * | * | | | cis | -130.5 | 150.4 | 16 | -56.5 | 175.7 | 0 | 0 | 0 | 110.2 | | |
| 525 | N | 32.4 | Very low | 34 | Very low | 140 Ų | 140 | 144 Ų | 144 | 75% | 0.749 | 79% | 0.785 | S | S | * | * | | | trans | -98.6 | 116.9 | 161.5 | -89.6 | -31.7 | 0 | 0 | 0 | 110.9 | | |
| 526 | E | 31.7 | Very low | 34.2 | Very low | 181 Ų | 181 | 144.2 Ų | 144.2 | 85% | 0.846 | 78% | 0.781 | S | S | * | * | | | trans | -144.8 | 114.6 | 139.9 | -73.5 | -155.6 | 127.4 | 0 | 0 | 106.3 | | |
| 527 | A | 36.5 | Very low | 33.5 | Very low | 88 Ų | 88 | 147.9 Ų | 147.9 | 73% | 0.727 | 80% | 0.795 | S | S | * | * | | | | 70.1 | 113.7 | 58.4 | 0 | 0 | 0 | 0 | 0 | 112.9 | | |
| 528 | F | 30.4 | Very low | 34.1 | Very low | 201 Ų | 201 | 149.5 Ų | 149.5 | 88% | 0.882 | 80% | 0.795 | S | S | * | * | | | trans | -138.2 | 123.3 | 158.2 | -133.7 | -87.3 | 0 | 0 | 0 | 111.3 | | |
| 529 | S | 33 | Very low | 34.9 | Very low | 90 Ų | 90 | 150.2 Ų | 150.2 | 63% | 0.629 | 80% | 0.797 | S | S | * | * | | | trans | 47.7 | 79.5 | 168.7 | -61.5 | 0 | 0 | 0 | 0 | 118.5 | | |
| 530 | V | 34 | Very low | 35 | Very low | 149 Ų | 149 | 148.3 Ų | 148.3 | 90% | 0.903 | 80% | 0.801 | S | S | * | * | | | | -59.5 | 137.3 | 123.2 | 172.2 | 0 | 0 | 0 | 0 | 107.3 | | |
| 531 | K | 38.7 | Very low | 35.3 | Very low | 177 Ų | 177 | 143.8 Ų | 143.8 | 77% | 0.77 | 80% | 0.802 | S | S | * | * | | | trans | -127.8 | 108.3 | 173.4 | -164.8 | 165.4 | -174.4 | 174.5 | 0 | 111.1 | | |
| 532 | T | 35.7 | Very low | 35.6 | Very low | 118 Ų | 118 | 142.1 Ų | 142.1 | 72% | 0.724 | 80% | 0.803 | S | S | * | * | | | trans | 46.9 | 93.3 | 162.2 | 54.7 | 0 | 0 | 0 | 0 | 115.7 | | |
| 533 | S | 33.8 | Very low | 36.1 | Very low | 109 Ų | 109 | 140.2 Ų | 140.2 | 76% | 0.762 | 80% | 0.801 | S | S | * | * | | | | 64.1 | 104.7 | 67.6 | -168.5 | 0 | 0 | 0 | 0 | 114.2 | | |
| 534 | T | 36.6 | Very low | 36.2 | Very low | 148 Ų | 148 | 139.8 Ų | 139.8 | 91% | 0.908 | 80% | 0.802 | S | S | * | * | | | trans | -146 | 121.5 | 138.3 | 43.6 | 0 | 0 | 0 | 0 | 106.8 | | |
| 535 | D | 37.9 | Very low | 36.7 | Very low | 164 Ų | 164 | 139.5 Ų | 139.5 | 88% | 0.877 | 81% | 0.807 | S | S | * | * | | | trans | -135.3 | 141.8 | 173.2 | -155.6 | -4.5 | 0 | 0 | 0 | 106.8 | | |
| 536 | E | 34.2 | Very low | 36.9 | Very low | 159 Ų | 159 | 136.1 Ų | 136.1 | 74% | 0.743 | 81% | 0.805 | S | S | * | * | | | trans | -116.7 | 121.8 | -179.2 | -160.7 | -139.4 | 149.9 | 0 | 0 | 110.5 | | |
| 537 | L | 36.6 | Very low | 37.9 | Very low | 168 Ų | 168 | 133.2 Ų | 133.2 | 88% | 0.88 | 80% | 0.802 | S | S | * | * | | | trans | -166 | 141.3 | 142.9 | -106.1 | 157.4 | 0 | 0 | 0 | 112.4 | | |
| 538 | K | 39.9 | Very low | 38.1 | Very low | 178 Ų | 178 | 141.9 Ų | 141.9 | 77% | 0.774 | 83% | 0.828 | S | S | * | * | | | trans | -59.5 | 161.1 | 168.6 | -94.4 | 171.7 | -179.2 | 163.8 | 0 | 112 | | |
| 539 | P | 46.1 | Very low | 38.4 | Very low | 123 Ų | 123 | 139 Ų | 139 | 80% | 0.799 | 83% | 0.825 | S | S | * | * | | | cis | -150.5 | -163.4 | 43.9 | 42.8 | -21.2 | 0 | 0 | 0 | 117.6 | | |
| 540 | A | 34.1 | Very low | 38.7 | Very low | 99 Ų | 99 | 141.5 Ų | 141.5 | 82% | 0.818 | 84% | 0.835 | S | S | * | * | | | trans | 86.4 | 96.4 | 159.1 | 0 | 0 | 0 | 0 | 0 | 120.2 | | |
| 541 | A | 41.8 | Very low | 39 | Very low | 112 Ų | 112 | 141.1 Ų | 141.1 | 93% | 0.926 | 83% | 0.832 | S | S | * | * | | | trans | -24.5 | 142 | 161.8 | 0 | 0 | 0 | 0 | 0 | 121 | | |
| 542 | G | 37.4 | Very low | 39 | Very low | 73 Ų | 73 | 139 Ų | 139 | 75% | 0.753 | 84% | 0.835 | S | S | * | * | | | trans | 165.4 | 73.1 | 166.4 | 0 | 0 | 0 | 0 | 0 | 112.1 | | |
| 543 | K | 41.9 | Very low | 39.2 | Very low | 198 Ų | 198 | 140.3 Ų | 140.3 | 86% | 0.861 | 84% | 0.842 | S | S | * | * | | | | 80.9 | 123.3 | 78.6 | -160.7 | -174 | -169.9 | -175.9 | 0 | 113.2 | | |
| 544 | C | 34.9 | Very low | 39.6 | Very low | 113 Ų | 113 | 142.4 Ų | 142.4 | 76% | 0.764 | 85% | 0.848 | S | S | * | * | | | trans | 68.4 | 151 | 177.6 | -61.9 | 0 | 0 | 0 | 0 | 116.1 | | |
| 545 | V | 42.1 | Very low | 39.8 | Very low | 141 Ų | 141 | 142 Ų | 142 | 86% | 0.855 | 84% | 0.843 | S | S | * | * | | | cis | 164.9 | 140.8 | -27.9 | 135.8 | 0 | 0 | 0 | 0 | 105.5 | | |
| 546 | G | 37 | Very low | 39.9 | Very low | 69 Ų | 69 | 140.3 Ų | 140.3 | 71% | 0.711 | 84% | 0.841 | S | S | * | * | | | trans | 100.2 | 147.5 | 154.9 | 0 | 0 | 0 | 0 | 0 | 116.6 | | |
| 547 | P | 54 | Low | 40.4 | Very low | 121 Ų | 121 | 138.8 Ų | 138.8 | 79% | 0.786 | 85% | 0.849 | S | S | * | * | | | trans | -111.4 | 163.6 | -179.4 | 42.3 | -33.8 | 0 | 0 | 0 | 113.5 | | |
| 548 | E | 39.2 | Very low | 40.8 | Very low | 270 Ų | 270 | 136.1 Ų | 136.1 | 100% | 1.262 | 85% | 0.846 | S | S | * | * | | | | -154.6 | 0 | 103.3 | -97.9 | -172 | 141.4 | 0 | 0 | 109.9 | | |