| 1 | E | 42.4 | Very low | 46 | Very low | 239 Ų | 239 | 135.5 Ų | 135.5 | 100% | 1.117 | 85% | 0.849 | S | S | * | * | | | | 0 | 86.3 | 0 | -62.1 | -179.6 | 98.9 | 0 | 0 | 105.9 | | |
| 2 | T | 41.7 | Very low | 46.2 | Very low | 135 Ų | 135 | 131.3 Ų | 131.3 | 83% | 0.828 | 84% | 0.837 | S | S | * | * | | | | 63.4 | 128 | 74.5 | -43.8 | 0 | 0 | 0 | 0 | 113.2 | | |
| 3 | V | 45.1 | Very low | 46.3 | Very low | 143 Ų | 143 | 130.8 Ų | 130.8 | 87% | 0.867 | 84% | 0.84 | S | S | * | * | | | trans | 80.2 | 117.5 | 169.5 | 143.5 | 0 | 0 | 0 | 0 | 113.6 | | |
| 4 | G | 42.4 | Very low | 46.7 | Very low | 77 Ų | 77 | 131.4 Ų | 131.4 | 79% | 0.794 | 84% | 0.84 | S | S | * | * | | | cis | 126.4 | 146 | 26.8 | 0 | 0 | 0 | 0 | 0 | 106 | | |
| 5 | G | 43 | Very low | 46.4 | Very low | 78 Ų | 78 | 129.1 Ų | 129.1 | 80% | 0.804 | 84% | 0.838 | S | S | * | * | | | cis | -171.7 | 138.3 | -6.6 | 0 | 0 | 0 | 0 | 0 | 103.3 | | |
| 6 | A | 46.9 | Very low | 46.5 | Very low | 99 Ų | 99 | 127.5 Ų | 127.5 | 82% | 0.818 | 84% | 0.839 | S | S | * | * | | | trans | -83.3 | 135.9 | 178.7 | 0 | 0 | 0 | 0 | 0 | 110.4 | | |
| 7 | T | 52.4 | Low | 46.3 | Very low | 129 Ų | 129 | 127.1 Ų | 127.1 | 79% | 0.791 | 83% | 0.833 | S | S | * | * | | | trans | -146.3 | 104.8 | 156.5 | 55.1 | 0 | 0 | 0 | 0 | 109.7 | | |
| 8 | T | 48.3 | Very low | 45.8 | Very low | 118 Ų | 118 | 130.4 Ų | 130.4 | 72% | 0.724 | 84% | 0.835 | S | S | * | * | | | trans | -88.8 | 123 | 163.2 | -66.4 | 0 | 0 | 0 | 0 | 107 | Q10 | T8-Q10 HydrophobicContact CG2-CG 4.26Š|
| 9 | D | 49.3 | Very low | 45.3 | Very low | 155 Ų | 155 | 130.8 Ų | 130.8 | 83% | 0.829 | 83% | 0.83 | S | S | * | * | | | trans | -117.2 | 104.4 | 167.1 | -82 | -66.5 | 0 | 0 | 0 | 109.6 | | |
| 10 | Q | 42 | Very low | 45 | Very low | 180 Ų | 180 | 129.9 Ų | 129.9 | 84% | 0.841 | 83% | 0.828 | S | S | * | * | | | trans | -82.4 | 136.1 | 159.5 | -66.7 | 175.6 | 74.9 | 0 | 0 | 107.2 | T8 | T8-Q10 HydrophobicContact CG2-CG 4.26Š|
| 11 | C | 53 | Low | 44.9 | Very low | 137 Ų | 137 | 127 Ų | 127 | 93% | 0.926 | 82% | 0.816 | S | S | * | * | | | trans | -114.2 | 118.1 | 164.2 | -165.6 | 0 | 0 | 0 | 0 | 109.1 | | |
| 12 | A | 48.3 | Very low | 45.2 | Very low | 85 Ų | 85 | 122.9 Ų | 122.9 | 70% | 0.702 | 80% | 0.802 | S | S | * | * | | | trans | -79.9 | 148.3 | -175.6 | 0 | 0 | 0 | 0 | 0 | 112.3 | | |
| 13 | S | 46.7 | Very low | 45.3 | Very low | 126 Ų | 126 | 124.5 Ų | 124.5 | 88% | 0.881 | 80% | 0.8 | S | S | * | * | | | trans | -64.5 | 139.3 | 165.7 | -51.2 | 0 | 0 | 0 | 0 | 111.4 | | |
| 14 | V | 52.4 | Low | 44.9 | Very low | 138 Ų | 138 | 123.1 Ų | 123.1 | 84% | 0.836 | 79% | 0.792 | S | S | * | * | | | trans | -138.4 | 118.5 | 161.6 | -159.5 | 0 | 0 | 0 | 0 | 109 | | |
| 15 | A | 42.4 | Very low | 44.8 | Very low | 98 Ų | 98 | 125.4 Ų | 125.4 | 81% | 0.81 | 79% | 0.79 | S | S | * | * | | | trans | -83.1 | 142.7 | 167.2 | 0 | 0 | 0 | 0 | 0 | 109.5 | | |
| 16 | A | 47.7 | Very low | 44.6 | Very low | 103 Ų | 103 | 126.9 Ų | 126.9 | 85% | 0.851 | 79% | 0.789 | S | S | * | * | | | trans | -135.3 | 133.7 | 164.8 | 0 | 0 | 0 | 0 | 0 | 109.6 | | |
| 17 | T | 43 | Very low | 44.2 | Very low | 121 Ų | 121 | 125.4 Ų | 125.4 | 74% | 0.742 | 78% | 0.783 | S | S | * | * | | | trans | -87.7 | 157.4 | -174.6 | 34.9 | 0 | 0 | 0 | 0 | 113.1 | | |
| 18 | E | 37.9 | Very low | 43.6 | Very low | 186 Ų | 186 | 128.1 Ų | 128.1 | 87% | 0.869 | 79% | 0.787 | S | S | * | * | | | trans | 68.7 | 148 | 151.2 | -73.6 | 177.3 | 132.7 | 0 | 0 | 117.6 | | |
| 19 | N | 36.8 | Very low | 42.9 | Very low | 138 Ų | 138 | 130.7 Ų | 130.7 | 74% | 0.738 | 79% | 0.79 | S | S | * | * | | | cis | -170.4 | 138.3 | 7.1 | 153.2 | 38.1 | 0 | 0 | 0 | 106.2 | | |
| 20 | S | 39.2 | Very low | 42.2 | Very low | 112 Ų | 112 | 127.6 Ų | 127.6 | 78% | 0.783 | 79% | 0.786 | S | S | * | * | | | trans | -164.4 | 107.2 | 140.2 | -148.4 | 0 | 0 | 0 | 0 | 111.5 | | |
| 21 | A | 42.8 | Very low | 41.9 | Very low | 71 Ų | 71 | 125.3 Ų | 125.3 | 59% | 0.587 | 79% | 0.79 | S | S | * | * | | | trans | -68.7 | 149.3 | 168.8 | 0 | 0 | 0 | 0 | 0 | 112.3 | | |
| 22 | N | 47.3 | Very low | 40.8 | Very low | 152 Ų | 152 | 122.7 Ų | 122.7 | 81% | 0.813 | 79% | 0.786 | S | S | * | * | | | trans | -156 | 90.1 | 146.9 | -67.8 | -45.7 | 0 | 0 | 0 | 106.8 | | |
| 23 | Q | 45.3 | Very low | 40.3 | Very low | 168 Ų | 168 | 127.1 Ų | 127.1 | 79% | 0.785 | 79% | 0.792 | S | S | * | * | | | | 64.7 | 105.3 | 105.1 | -65.2 | -126.2 | 37.8 | 0 | 0 | 115.1 | | |
| 24 | T | 36.7 | Very low | 39.7 | Very low | 114 Ų | 114 | 126.1 Ų | 126.1 | 70% | 0.699 | 78% | 0.781 | S | S | * | * | | | | 97.7 | 116.8 | 97 | -56.2 | 0 | 0 | 0 | 0 | 109.9 | | |
| 25 | T | 38.6 | Very low | 39.3 | Very low | 125 Ų | 125 | 127 Ų | 127 | 77% | 0.767 | 78% | 0.776 | S | S | * | * | | | | -179.6 | 139.4 | 75.7 | 173.1 | 0 | 0 | 0 | 0 | 113 | | |
| 26 | S | 40.1 | Very low | 38.9 | Very low | 110 Ų | 110 | 127.9 Ų | 127.9 | 77% | 0.769 | 78% | 0.776 | S | S | * | * | | | trans | 46 | 125.2 | 145 | -151.6 | 0 | 0 | 0 | 0 | 120.7 | | |
| 27 | G | 37.7 | Very low | 38.5 | Very low | 67 Ų | 67 | 131 Ų | 131 | 69% | 0.691 | 77% | 0.771 | S | S | * | * | | | | 68.4 | 117.5 | 57.9 | 0 | 0 | 0 | 0 | 0 | 109.4 | | |
| 28 | E | 39.8 | Very low | 38.1 | Very low | 187 Ų | 187 | 129.1 Ų | 129.1 | 87% | 0.874 | 78% | 0.775 | S | S | * | * | | | cis | -176.7 | 148 | 47.4 | -172.2 | 171.2 | 105.4 | 0 | 0 | 111 | | |
| 29 | E | 34.9 | Very low | 38.1 | Very low | 172 Ų | 172 | 126.6 Ų | 126.6 | 80% | 0.804 | 77% | 0.773 | S | S | * | * | | | trans | 19.1 | 136.2 | 149.2 | -50.4 | -68.8 | 111.7 | 0 | 0 | 125.3 | | |
| 30 | A | 34.3 | Very low | 38.4 | Very low | 89 Ų | 89 | 125.4 Ų | 125.4 | 74% | 0.736 | 78% | 0.775 | S | S | * | * | | | | 66 | 135.7 | 125.4 | 0 | 0 | 0 | 0 | 0 | 125.3 | | |
| 31 | S | 35.3 | Very low | 38.8 | Very low | 133 Ų | 133 | 125.7 Ų | 125.7 | 93% | 0.93 | 77% | 0.774 | S | S | * | * | | | trans | 84.7 | 130.1 | 144.7 | -111.7 | 0 | 0 | 0 | 0 | 120.2 | | |
| 32 | G | 30.5 | Very low | 38.2 | Very low | 81 Ų | 81 | 127.5 Ų | 127.5 | 84% | 0.835 | 78% | 0.783 | S | S | * | * | | | trans | 160.1 | 95.9 | 163.9 | 0 | 0 | 0 | 0 | 0 | 115 | | |
| 33 | E | 35.9 | Very low | 38 | Very low | 179 Ų | 179 | 125.9 Ų | 125.9 | 84% | 0.836 | 78% | 0.783 | S | S | * | * | | | trans | -68.7 | 172.4 | 172 | -162.9 | -179.1 | 104.1 | 0 | 0 | 113.2 | | |
| 34 | T | 35.2 | Very low | 37.9 | Very low | 105 Ų | 105 | 125.1 Ų | 125.1 | 64% | 0.644 | 79% | 0.785 | S | S | * | * | | | trans | 97.2 | 97.1 | 155.2 | 63.1 | 0 | 0 | 0 | 0 | 121 | | |
| 35 | E | 44.5 | Very low | 37.9 | Very low | 155 Ų | 155 | 124 Ų | 124 | 72% | 0.724 | 79% | 0.787 | S | S | * | * | | | | 42.3 | 128.2 | 127.3 | -48.8 | -172.1 | 117.5 | 0 | 0 | 121.4 | F37 | E35-F37 HydrophobicContact CB-CE1 4Å; E35-F37 HydrophobicContact CB-CZ 3.72Å; E35-F37 HydrophobicContact CG-CE1 4.44Å; E35-F37 HydrophobicContact CG-CZ 4.44Å |
| 36 | S | 34.3 | Very low | 37.8 | Very low | 118 Ų | 118 | 122.5 Ų | 122.5 | 83% | 0.825 | 78% | 0.782 | S | S | * | * | | | | -160 | 151.3 | 125.9 | 56.3 | 0 | 0 | 0 | 0 | 112.9 | | |
| 37 | F | 38.4 | Very low | 38.6 | Very low | 168 Ų | 168 | 126.4 Ų | 126.4 | 74% | 0.737 | 79% | 0.785 | S | S | * | * | | | trans | -96.8 | 151.2 | -155.4 | -31.3 | -88.1 | 0 | 0 | 0 | 110.9 | E35 | E35-F37 HydrophobicContact CB-CE1 4Å; E35-F37 HydrophobicContact CB-CZ 3.72Å; E35-F37 HydrophobicContact CG-CE1 4.44Å; E35-F37 HydrophobicContact CG-CZ 4.44Å |
| 38 | G | 35.2 | Very low | 38.6 | Very low | 81 Ų | 81 | 131.3 Ų | 131.3 | 84% | 0.835 | 79% | 0.79 | S | S | * | * | | | trans | -159.2 | 69.6 | 171.9 | 0 | 0 | 0 | 0 | 0 | 111.8 | | |
| 39 | T | 37.8 | Very low | 38.3 | Very low | 133 Ų | 133 | 129 Ų | 129 | 82% | 0.816 | 79% | 0.789 | S | S | * | * | | | trans | -81.6 | 129.6 | 166.6 | -60.9 | 0 | 0 | 0 | 0 | 109.6 | | |
| 40 | S | 42.5 | Very low | 38.5 | Very low | 113 Ų | 113 | 127 Ų | 127 | 79% | 0.79 | 79% | 0.788 | S | S | * | * | | | trans | -177.8 | 157.1 | 133.3 | -87.9 | 0 | 0 | 0 | 0 | 113.3 | | |
| 41 | P | 47.4 | Very low | 38.4 | Very low | 118 Ų | 118 | 126.4 Ų | 126.4 | 77% | 0.766 | 79% | 0.791 | S | S | * | * | | | trans | -123.6 | -172.7 | -130.3 | 42.4 | -30.9 | 0 | 0 | 0 | 115.8 | | |
| 42 | S | 31.2 | Very low | 38.3 | Very low | 109 Ų | 109 | 124.8 Ų | 124.8 | 76% | 0.762 | 79% | 0.786 | S | S | * | * | | | trans | 81.8 | 118.6 | 155.3 | 158.7 | 0 | 0 | 0 | 0 | 118.4 | | |
| 43 | S | 41.8 | Very low | 38.6 | Very low | 118 Ų | 118 | 126.1 Ų | 126.1 | 83% | 0.825 | 78% | 0.782 | S | S | * | * | | | | -169.9 | 141.9 | 92.7 | -143.6 | 0 | 0 | 0 | 0 | 112.5 | | |
| 44 | N | 43.9 | Very low | 39.1 | Very low | 153 Ų | 153 | 122.9 Ų | 122.9 | 82% | 0.818 | 78% | 0.777 | S | S | * | * | | | trans | -94.8 | 132.8 | 179.2 | -162.4 | -12.3 | 0 | 0 | 0 | 108.2 | | |
| 45 | A | 35.9 | Very low | 39 | Very low | 90 Ų | 90 | 124.7 Ų | 124.7 | 74% | 0.744 | 78% | 0.782 | S | S | * | * | | | trans | -149 | 88 | 166.8 | 0 | 0 | 0 | 0 | 0 | 110.8 | | |
| 46 | S | 37 | Very low | 38.6 | Very low | 93 Ų | 93 | 125.9 Ų | 125.9 | 65% | 0.65 | 79% | 0.787 | S | S | * | * | | | trans | -56.5 | 134 | 157.6 | 174.4 | 0 | 0 | 0 | 0 | 110.8 | | |
| 47 | K | 57.5 | Low | 38.3 | Very low | 192 Ų | 192 | 123.4 Ų | 123.4 | 84% | 0.835 | 78% | 0.78 | S | S | * | * | | | trans | -133.4 | 94.5 | 154.2 | -65.7 | -158.8 | -174.3 | -63.2 | 0 | 109.6 | | |
| 48 | Q | 37.9 | Very low | 38 | Very low | 170 Ų | 170 | 120.4 Ų | 120.4 | 79% | 0.794 | 79% | 0.787 | S | S | * | * | | | trans | -56.6 | 136.9 | 152.7 | -86.7 | -180 | -29 | 0 | 0 | 109.4 | | |
| 49 | T | 32.8 | Very low | 37.8 | Very low | 139 Ų | 139 | 121.2 Ų | 121.2 | 85% | 0.853 | 79% | 0.785 | S | S | * | * | | | trans | -118.4 | 114.8 | 156.8 | -61.9 | 0 | 0 | 0 | 0 | 107.5 | | |
| 50 | T | 38.9 | Very low | 37.8 | Very low | 129 Ų | 129 | 119.3 Ų | 119.3 | 79% | 0.791 | 78% | 0.783 | S | S | * | * | | | trans | -91 | 135.2 | 170.7 | -49.5 | 0 | 0 | 0 | 0 | 108.1 | | |
| 51 | G | 31.6 | Very low | 37.7 | Very low | 78 Ų | 78 | 122.6 Ų | 122.6 | 80% | 0.804 | 79% | 0.786 | S | S | * | * | | | trans | -163 | 86.4 | 176.7 | 0 | 0 | 0 | 0 | 0 | 113.2 | | |
| 52 | A | 33.1 | Very low | 37.2 | Very low | 98 Ų | 98 | 126.4 Ų | 126.4 | 81% | 0.81 | 79% | 0.793 | S | S | * | * | | | trans | -24.5 | 141.8 | 174.9 | 0 | 0 | 0 | 0 | 0 | 121.5 | | |
| 53 | S | 38.2 | Very low | 37.8 | Very low | 110 Ų | 110 | 126.3 Ų | 126.3 | 77% | 0.769 | 79% | 0.793 | S | S | * | * | | | trans | -73 | 165.7 | 146.6 | -42.6 | 0 | 0 | 0 | 0 | 110.3 | | |
| 54 | P | 45.6 | Very low | 37.7 | Very low | 111 Ų | 111 | 126.8 Ų | 126.8 | 72% | 0.721 | 79% | 0.793 | S | S | * | * | | | | -162.1 | 158.6 | 76.3 | 39.7 | -16.4 | 0 | 0 | 0 | 120.5 | | |
| 55 | L | 32.9 | Very low | 37.3 | Very low | 143 Ų | 143 | 128.2 Ų | 128.2 | 75% | 0.749 | 80% | 0.795 | S | S | * | * | | | trans | 84 | 138.4 | 133.7 | -99.4 | 129.1 | 0 | 0 | 0 | 125.6 | | |
| 56 | H | 37.1 | Very low | 37.8 | Very low | 179 Ų | 179 | 132.3 Ų | 132.3 | 83% | 0.829 | 80% | 0.803 | S | S | * | * | | | trans | 89 | 130.6 | 159.1 | -76.6 | 107.7 | 0 | 0 | 0 | 118.8 | | |
| 57 | G | 27.5 | Very low | 37.6 | Very low | 66 Ų | 66 | 131.6 Ų | 131.6 | 68% | 0.68 | 81% | 0.811 | S | S | * | * | | | cis | 177 | 154.2 | 2.5 | 0 | 0 | 0 | 0 | 0 | 113.5 | | |
| 58 | A | 32 | Very low | 36.8 | Very low | 106 Ų | 106 | 130.2 Ų | 130.2 | 88% | 0.876 | 81% | 0.811 | S | S | * | * | | | trans | 41.7 | 126.1 | 149.1 | 0 | 0 | 0 | 0 | 0 | 122.8 | | |
| 59 | A | 31.4 | Very low | 37.1 | Very low | 97 Ų | 97 | 127.1 Ų | 127.1 | 80% | 0.802 | 81% | 0.809 | S | S | * | * | | | | 168.1 | 144 | 93.4 | 0 | 0 | 0 | 0 | 0 | 114.4 | | |
| 60 | A | 38.4 | Very low | 37.4 | Very low | 93 Ų | 93 | 126 Ų | 126 | 77% | 0.769 | 81% | 0.807 | S | S | * | * | | | trans | 60 | 111.4 | 155.7 | 0 | 0 | 0 | 0 | 0 | 119.6 | | |
| 61 | Q | 39.6 | Very low | 37.5 | Very low | 182 Ų | 182 | 125.7 Ų | 125.7 | 85% | 0.85 | 80% | 0.804 | S | S | * | * | | | | 54.4 | 93.3 | 61.2 | -63.6 | -73.7 | -57.7 | 0 | 0 | 114 | | |
| 62 | Q | 36.3 | Very low | 37.9 | Very low | 198 Ų | 198 | 129.7 Ų | 129.7 | 93% | 0.925 | 81% | 0.806 | S | S | * | * | | | trans | -149.1 | 104.6 | 144.8 | -68.2 | -164 | -67.1 | 0 | 0 | 111 | | |
| 63 | S | 44.1 | Very low | 38.3 | Very low | 108 Ų | 108 | 133.4 Ų | 133.4 | 76% | 0.755 | 81% | 0.807 | S | S | * | * | | | trans | -81.1 | 151.6 | 153 | 170 | 0 | 0 | 0 | 0 | 108.4 | | |
| 64 | P | 40.3 | Very low | 38.1 | Very low | 127 Ų | 127 | 135.8 Ų | 135.8 | 83% | 0.825 | 81% | 0.811 | S | S | * | * | | | trans | -114.5 | 138.9 | 149.3 | -0.6 | 21.5 | 0 | 0 | 0 | 111.7 | | |
| 65 | E | 35.7 | Very low | 38 | Very low | 184 Ų | 184 | 135.2 Ų | 135.2 | 86% | 0.86 | 81% | 0.809 | S | S | * | * | | | trans | -63.2 | 155.5 | -175.9 | -73.7 | -163.1 | 112.2 | 0 | 0 | 115.6 | | |
| 66 | L | 45.5 | Very low | 38.8 | Very low | 176 Ų | 176 | 134.4 Ų | 134.4 | 92% | 0.921 | 82% | 0.816 | S | S | * | * | | | trans | -64.3 | 122.6 | 156.6 | -62.7 | 169.1 | 0 | 0 | 0 | 109.9 | | |
| 67 | G | 32.5 | Very low | 38.9 | Very low | 78 Ų | 78 | 135 Ų | 135 | 80% | 0.804 | 82% | 0.819 | S | S | * | * | | | trans | -120.4 | 112.1 | 174.2 | 0 | 0 | 0 | 0 | 0 | 111.6 | | |
| 68 | L | 42.4 | Very low | 39.7 | Very low | 162 Ų | 162 | 136.8 Ų | 136.8 | 85% | 0.848 | 83% | 0.827 | S | S | * | * | | | trans | -13.4 | 128.9 | 168.2 | -113.1 | 61.8 | 0 | 0 | 0 | 120.5 | | |
| 69 | S | 43.1 | Very low | 39.9 | Very low | 106 Ų | 106 | 140.7 Ų | 140.7 | 74% | 0.741 | 83% | 0.827 | S | S | * | * | | | | 42.5 | 114.5 | 123.2 | -46.7 | 0 | 0 | 0 | 0 | 121 | | |
| 70 | S | 40.3 | Very low | 40.4 | Very low | 116 Ų | 116 | 144.6 Ų | 144.6 | 81% | 0.811 | 83% | 0.829 | S | S | * | * | | | trans | -130.7 | 102.3 | 142.9 | 63.3 | 0 | 0 | 0 | 0 | 110.3 | | |
| 71 | T | 40.4 | Very low | 40.2 | Very low | 121 Ų | 121 | 146 Ų | 146 | 74% | 0.742 | 83% | 0.827 | S | S | * | * | | | trans | -60.6 | 126 | 161.5 | -60.8 | 0 | 0 | 0 | 0 | 109.5 | | |
| 72 | L | 40.7 | Very low | 39.9 | Very low | 162 Ų | 162 | 145.1 Ų | 145.1 | 85% | 0.848 | 82% | 0.823 | S | S | * | * | | | trans | -140 | 98.8 | 152.8 | -76.6 | 178.1 | 0 | 0 | 0 | 108.5 | | |
| 73 | E | 41.2 | Very low | 40.2 | Very low | 177 Ų | 177 | 144.4 Ų | 144.4 | 83% | 0.827 | 82% | 0.82 | S | S | * | * | | | trans | -58.7 | 135.8 | 151.2 | -82.1 | -167.4 | 104.3 | 0 | 0 | 108.6 | | |
| 74 | L | 33.2 | Very low | 40 | Very low | 160 Ų | 160 | 144.3 Ų | 144.3 | 84% | 0.838 | 82% | 0.819 | S | S | * | * | | | trans | -150.2 | 106.2 | 147.7 | -106.8 | 159.2 | 0 | 0 | 0 | 108.4 | | |
| 75 | S | 44.7 | Very low | 40.9 | Very low | 99 Ų | 99 | 147.1 Ų | 147.1 | 69% | 0.692 | 82% | 0.821 | S | S | * | * | | | trans | -42.7 | 140.8 | 162.6 | 49.4 | 0 | 0 | 0 | 0 | 112.7 | | |
| 76 | S | 48.7 | Very low | 41.4 | Very low | 126 Ų | 126 | 146.6 Ų | 146.6 | 88% | 0.881 | 82% | 0.819 | S | S | * | * | | | trans | -147.5 | 134.4 | 148.3 | -82.2 | 0 | 0 | 0 | 0 | 110.1 | | |
| 77 | E | 39.4 | Very low | 42 | Very low | 191 Ų | 191 | 141.8 Ų | 141.8 | 89% | 0.893 | 81% | 0.812 | S | S | * | * | | | trans | -56.2 | 152.7 | -167 | -79.9 | 159.9 | 50.4 | 0 | 0 | 115.2 | | |
| 78 | A | 43.7 | Very low | 42.8 | Very low | 103 Ų | 103 | 145.5 Ų | 145.5 | 85% | 0.851 | 81% | 0.813 | S | S | * | * | | | trans | -63.1 | 134.1 | 163.1 | 0 | 0 | 0 | 0 | 0 | 110.6 | | |
| 79 | Q | 36.7 | Very low | 43.5 | Very low | 189 Ų | 189 | 146.3 Ų | 146.3 | 88% | 0.883 | 82% | 0.817 | S | S | * | * | | | trans | -142.2 | 108.3 | 153.9 | -161.3 | 166.9 | -7.1 | 0 | 0 | 109 | | |
| 80 | E | 42.3 | Very low | 44.1 | Very low | 179 Ų | 179 | 144.4 Ų | 144.4 | 84% | 0.836 | 81% | 0.814 | S | S | * | * | | | trans | -65.2 | 143.5 | 159.7 | -70.5 | -153.7 | 130.8 | 0 | 0 | 109.5 | | |
| 81 | V | 34 | Very low | 45 | Very low | 121 Ų | 121 | 148.4 Ų | 148.4 | 73% | 0.733 | 82% | 0.82 | S | S | * | * | | | | 176.9 | 113.1 | 123.7 | 150.7 | 0 | 0 | 0 | 0 | 109.8 | | |
| 82 | Q | 33.3 | Very low | 45.9 | Very low | 165 Ų | 165 | 147.7 Ų | 147.7 | 77% | 0.771 | 83% | 0.827 | S | S | * | * | | | trans | 65.9 | 113.1 | 136.6 | -58.2 | -168.4 | -69 | 0 | 0 | 122.2 | | |
| 83 | E | 41.4 | Very low | 46.8 | Very low | 182 Ų | 182 | 144.4 Ų | 144.4 | 85% | 0.85 | 82% | 0.823 | S | S | * | * | | | | 55.3 | 102.3 | 117.1 | -156.5 | 175.1 | 112.9 | 0 | 0 | 117.3 | | |
| 84 | S | 39.8 | Very low | 47.3 | Very low | 107 Ų | 107 | 140 Ų | 140 | 75% | 0.748 | 83% | 0.825 | S | S | * | * | | | trans | -134.9 | 120.4 | 145 | -149.9 | 0 | 0 | 0 | 0 | 108.5 | E86 | S84-E86 PolarHBondContact O-N 3.46Š|
| 85 | E | 60.8 | Low | 48.5 | Very low | 186 Ų | 186 | 136 Ų | 136 | 87% | 0.869 | 82% | 0.822 | S | S | * | * | | | trans | -45.8 | 115.8 | 171.5 | 57.6 | -157.4 | 120 | 0 | 0 | 112.7 | | |
| 86 | E | 46.3 | Very low | 49.2 | Very low | 172 Ų | 172 | 139 Ų | 139 | 80% | 0.804 | 83% | 0.826 | S | S | * | * | | | trans | -124.5 | 104.8 | 167.2 | 64.2 | -176.5 | 131.4 | 0 | 0 | 110 | S84 L88 | S84-E86 PolarHBondContact O-N 3.46Å; E86-L88 PolarHBondContact O-N 2.85Å |
| 87 | G | 57.4 | Low | 49.7 | Very low | 76 Ų | 76 | 138.6 Ų | 138.6 | 78% | 0.784 | 81% | 0.814 | S | S | * | * | | | trans | -71.3 | 114 | 156.6 | 0 | 0 | 0 | 0 | 0 | 108.1 | | |
| 88 | L | 48.2 | Very low | 50.7 | Low | 156 Ų | 156 | 137.7 Ų | 137.7 | 82% | 0.817 | 81% | 0.811 | S | S | * | * | | | trans | -154.6 | 124.9 | 158.4 | -130.8 | 112.3 | 0 | 0 | 0 | 110.8 | E86 G90 | E86-L88 PolarHBondContact O-N 2.85Å; L88-G90 PolarHBondContact O-N 3.1Å; L88-G90 VanDerWaalsContact O-N 3.14Å |
| 89 | L | 57.5 | Low | 51.3 | Low | 178 Ų | 178 | 139.7 Ų | 139.7 | 93% | 0.932 | 81% | 0.808 | S | S | * | * | | | trans | -54.2 | 112.1 | 171.1 | -56.2 | 171.1 | 0 | 0 | 0 | 108.9 | | |
| 90 | G | 57.1 | Low | 52 | Low | 67 Ų | 67 | 134.3 Ų | 134.3 | 69% | 0.691 | 79% | 0.791 | S | S | * | * | | | trans | -161.9 | 41.9 | -170 | 0 | 0 | 0 | 0 | 0 | 114.6 | L88 | L88-G90 PolarHBondContact O-N 3.1Å; L88-G90 VanDerWaalsContact O-N 3.14Å |
| 91 | E | 58.7 | Low | 52.5 | Low | 199 Ų | 199 | 133.7 Ų | 133.7 | 93% | 0.93 | 79% | 0.792 | S | S | * | * | | | trans | -118.3 | 69.5 | 170.8 | -66.3 | -172.4 | -174.5 | 0 | 0 | 110.6 | | |
| 92 | A | 58.9 | Low | 53.4 | Low | 107 Ų | 107 | 134.9 Ų | 134.9 | 88% | 0.884 | 79% | 0.792 | S | S | * | * | | | trans | -132.9 | 55.8 | 158.1 | 0 | 0 | 0 | 0 | 0 | 108.7 | | |
| 93 | A | 59.2 | Low | 54.5 | Low | 92 Ų | 92 | 134.4 Ų | 134.4 | 76% | 0.76 | 79% | 0.794 | S | S | * | * | | | trans | -141.3 | 87.9 | 168.5 | 0 | 0 | 0 | 0 | 0 | 108.5 | G95 | A93-G95 PolarHBondContact O-N 3.46Š|
| 94 | G | 52.8 | Low | 55.2 | Low | 86 Ų | 86 | 130.3 Ų | 130.3 | 89% | 0.887 | 78% | 0.781 | S | S | * | * | | | trans | -73.8 | 69.2 | 170.7 | 0 | 0 | 0 | 0 | 0 | 110.9 | | |
| 95 | G | 57.2 | Low | 55.9 | Low | 75 Ų | 75 | 134.6 Ų | 134.6 | 77% | 0.773 | 79% | 0.789 | S | S | * | * | | | trans | -96.5 | 81.4 | 166 | 0 | 0 | 0 | 0 | 0 | 109 | A93 | A93-G95 PolarHBondContact O-N 3.46Š|
| 96 | Q | 59.7 | Low | 55.7 | Low | 163 Ų | 163 | 128.8 Ų | 128.8 | 76% | 0.762 | 78% | 0.779 | S | S | * | * | | | trans | -85 | 140.5 | 172.5 | -73.6 | -70.8 | -13.9 | 0 | 0 | 110.1 | | |
| 97 | D | 59.8 | Low | 56 | Low | 117 Ų | 117 | 129.5 Ų | 129.5 | 63% | 0.626 | 78% | 0.78 | S | S | * | * | | | trans | -53.5 | 132.4 | 178.6 | 176.4 | 38.7 | 0 | 0 | 0 | 112.1 | N99 S100 | D97-N99 PolarHBondContact O-N 3.31Å; D97-N99 VanDerWaalsContact O-N 3.11Å; D97-N99 WeakPolarHBondContact OD2-CB 3.37Å; D97-S100 PolarHBondContact O-N 2.84Å |
| 98 | M | 60 | Low | 55.7 | Low | 171 Ų | 171 | 128.8 Ų | 128.8 | 84% | 0.842 | 77% | 0.773 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -70 | -7.8 | -173.7 | -64.2 | -75.8 | 157.2 | 0 | 0 | 113 | S100 | M98-S100 VanDerWaalsContact C-N 3.27Å; M98-S100 PolarHBondContact O-N 2.72Å |
| 99 | N | 57.4 | Low | 56.1 | Low | 146 Ų | 146 | 129 Ų | 129 | 78% | 0.781 | 78% | 0.775 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -81.5 | 0 | 174.3 | -95 | 11 | 0 | 0 | 0 | 114.2 | D97 L101 | D97-N99 PolarHBondContact O-N 3.31Å; D97-N99 VanDerWaalsContact O-N 3.11Å; D97-N99 WeakPolarHBondContact OD2-CB 3.37Å; N99-L101 VanDerWaalsContact C-N 3.28Å; N99-L101 PolarHBondContact O-N 2.66Å; N99-L101 VanDerWaalsContact O-N 3.09Å |
| 100 | S | 49.6 | Very low | 56 | Low | 75 Ų | 75 | 124.8 Ų | 124.8 | 52% | 0.524 | 75% | 0.749 | S | S | . | * | | | trans | -85.2 | 64.8 | 171.4 | -161.4 | 0 | 0 | 0 | 0 | 112.1 | D97 M98 M102 | D97-S100 PolarHBondContact O-N 2.84Å; M98-S100 VanDerWaalsContact C-N 3.27Å; M98-S100 PolarHBondContact O-N 2.72Å; S100-M102 PolarHBondContact O-N 3.33Å; S100-M102 VanDerWaalsContact O-N 3.09Å |
| 101 | L | 53.6 | Low | 56 | Low | 166 Ų | 166 | 128.1 Ų | 128.1 | 87% | 0.869 | 75% | 0.751 | S | S | * | * | | | trans | -75.5 | 27 | 164.3 | -79.9 | 165.4 | 0 | 0 | 0 | 112.4 | N99 | N99-L101 VanDerWaalsContact C-N 3.28Å; N99-L101 PolarHBondContact O-N 2.66Å; N99-L101 VanDerWaalsContact O-N 3.09Å |
| 102 | M | 53.2 | Low | 56.1 | Low | 146 Ų | 146 | 124.6 Ų | 124.6 | 72% | 0.719 | 74% | 0.744 | S | S | * | * | | | trans | -122.9 | 70.2 | 170.6 | -92.7 | -88.3 | 155.4 | 0 | 0 | 108 | S100 T104 | S100-M102 PolarHBondContact O-N 3.33Å; S100-M102 VanDerWaalsContact O-N 3.09Å; M102-T104 PolarHBondContact O-N 3.35Å; M102-T104 PolarHBondContact SD-OG1 2.98Å; M102-T104 VanDerWaalsContact SD-OG1 3.39Å |
| 103 | L | 56.8 | Low | 56.3 | Low | 156 Ų | 156 | 127.9 Ų | 127.9 | 82% | 0.817 | 74% | 0.741 | S | S | * | * | | | trans | -68.6 | 57.1 | 161.7 | -80.5 | 161.7 | 0 | 0 | 0 | 109.9 | | |
| 104 | T | 56.2 | Low | 56.6 | Low | 95 Ų | 95 | 128.7 Ų | 128.7 | 58% | 0.583 | 73% | 0.732 | S | S | * | * | | | trans | -128.8 | 51.8 | -179.5 | -28.9 | 0 | 0 | 0 | 0 | 110.6 | M102 | M102-T104 PolarHBondContact O-N 3.35Å; M102-T104 PolarHBondContact SD-OG1 2.98Å; M102-T104 VanDerWaalsContact SD-OG1 3.39Å |
| 105 | Q | 54.8 | Low | 57.8 | Low | 198 Ų | 198 | 129.1 Ų | 129.1 | 93% | 0.925 | 72% | 0.717 | S | S | * | * | S | Bend | trans | -156.3 | 92.9 | 163.6 | -142.7 | 117.8 | 94.6 | 0 | 0 | 110.2 | | |
| 106 | G | 54.8 | Low | 59 | Low | 64 Ų | 64 | 132.8 Ų | 132.8 | 66% | 0.66 | 71% | 0.712 | S | S | * | * | S | Bend | trans | 168.9 | -3.7 | 171.6 | 0 | 0 | 0 | 0 | 0 | 119.9 | | |
| 107 | F | 52.6 | Low | 60.2 | Low | 186 Ų | 186 | 134.9 Ų | 134.9 | 82% | 0.816 | 72% | 0.715 | S | S | * | * | S | Bend | trans | -141.7 | 146.6 | 168.8 | -79.9 | -87.7 | 0 | 0 | 0 | 109.2 | F110 | F107-F110 VanDerWaalsContact C-CE2 3.44Å; F107-F110 HydrophobicContact CB-CE2 3.58Å; F107-F110 HydrophobicContact CB-CZ 3.76Å; F107-F110 WeakPolarHBondContact O-CD2 3.3Å; F107-F110 WeakPolarHBondContact O-CE2 3.32Å |
| 108 | G | 51.7 | Low | 61.6 | Low | 61 Ų | 61 | 133.4 Ų | 133.4 | 63% | 0.629 | 72% | 0.719 | S | S | * | * | S | Bend | trans | -56.9 | 164.6 | -159 | 0 | 0 | 0 | 0 | 0 | 116.4 | F110 | G108-F110 VanDerWaalsContact C-N 3.32Å; G108-F110 WeakPolarHBondContact O-CD2 3.25Å; G108-F110 WeakPolarHBondContact O-CE2 3.3Å; G108-F110 WeakPolarHBondContact O-CG 3.41Å; G108-F110 PolarHBondContact O-N 3.07Å |
| 109 | D | 57.3 | Low | 63.1 | Low | 161 Ų | 161 | 131.8 Ų | 131.8 | 86% | 0.861 | 72% | 0.718 | S | S | * | * | | | trans | -12.7 | 77.7 | 173.8 | -167.3 | 34.4 | 0 | 0 | 0 | 115.4 | N111 | D109-N111 PolarHBondContact O-N 2.83Å; D109-N111 VanDerWaalsContact O-N 3.17Å |
| 110 | F | 55.2 | Low | 64.9 | Low | 89 Ų | 89 | 131.2 Ų | 131.2 | 39% | 0.39 | 72% | 0.72 | S | S | . | * | | | trans | -80.6 | 99 | 171.5 | -67.9 | -73.5 | 0 | 0 | 0 | 106.5 | F107 G108 T112 D114 F116 | F107-F110 VanDerWaalsContact C-CE2 3.44Å; F107-F110 HydrophobicContact CB-CE2 3.58Å; F107-F110 HydrophobicContact CB-CZ 3.76Å; F107-F110 WeakPolarHBondContact O-CD2 3.3Å; F107-F110 WeakPolarHBondContact O-CE2 3.32Å; G108-F110 VanDerWaalsContact C-N 3.32Å; G108-F110 WeakPolarHBondContact O-CD2 3.25Å; G108-F110 WeakPolarHBondContact O-CE2 3.3Å; G108-F110 WeakPolarHBondContact O-CG 3.41Å; G108-F110 PolarHBondContact O-N 3.07Å; F110-T112 PolarHBondContact O-N 3.12Å; F110-D114 HydrophobicContact CD1-CB 3.96Å; F110-D114 WeakPolarHBondContact CD1-OD2 3.46Å; F110-D114 HydrophobicContact CE1-CB 4.46Å; F110-F116 HydrophobicContact CE1-CZ 4.41Å; F110-F116 HydrophobicContact CZ-CE2 4.36Å; F110-F116 HydrophobicContact CZ-CZ 4.2Å |
| 111 | N | 57.5 | Low | 67.1 | Low | 137 Ų | 137 | 132.9 Ų | 132.9 | 73% | 0.733 | 73% | 0.729 | S | S | * | * | | | trans | -47.9 | 118.1 | 161.8 | -147.8 | -56.4 | 0 | 0 | 0 | 106.8 | D109 Q113 | D109-N111 PolarHBondContact O-N 2.83Å; D109-N111 VanDerWaalsContact O-N 3.17Å; N111-Q113 PolarHBondContact O-N 3.43Å |
| 112 | T | 60.6 | Low | 69.1 | Low | 126 Ų | 126 | 132.1 Ų | 132.1 | 77% | 0.773 | 73% | 0.725 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -38.4 | 84.4 | -168.8 | 51 | 0 | 0 | 0 | 0 | 115 | F110 | F110-T112 PolarHBondContact O-N 3.12Š|
| 113 | Q | 61.5 | Low | 71.2 | Confident | 176 Ų | 176 | 131.4 Ų | 131.4 | 82% | 0.822 | 74% | 0.735 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -172.5 | -7.5 | 163.7 | -113.4 | 159.2 | 37.6 | 0 | 0 | 117.4 | N111 V115 | N111-Q113 PolarHBondContact O-N 3.43Å; Q113-V115 PolarHBondContact O-N 3.24Å |
| 114 | D | 67.4 | Low | 73.2 | Confident | 108 Ų | 108 | 131.4 Ų | 131.4 | 58% | 0.578 | 72% | 0.724 | S | S | * | * | | | trans | -82.1 | 85.1 | 177 | -72.1 | -21.8 | 0 | 0 | 0 | 110.9 | F110 | F110-D114 HydrophobicContact CD1-CB 3.96Å; F110-D114 WeakPolarHBondContact CD1-OD2 3.46Å; F110-D114 HydrophobicContact CE1-CB 4.46Å |
| 115 | V | 77.8 | Confident | 75.2 | Confident | 96 Ų | 96 | 128.9 Ų | 128.9 | 58% | 0.582 | 71% | 0.71 | S | S | * | * | | | trans | -81.6 | 114.7 | 172.2 | -179.1 | 0 | 0 | 0 | 0 | 108.7 | Q113 Y117 | Q113-V115 PolarHBondContact O-N 3.24Å; V115-Y117 HydrophobicContact CB-CE2 4.22Å; V115-Y117 HydrophobicContact CG1-CE1 4.14Å; V115-Y117 HydrophobicContact CG1-CE2 3.97Å |
| 116 | F | 81.6 | Confident | 77.2 | Confident | 151 Ų | 151 | 123.5 Ų | 123.5 | 66% | 0.662 | 69% | 0.692 | S | S | * | * | | | trans | -82.1 | 133.7 | 170.5 | -62.1 | -81 | 0 | 0 | 0 | 110.2 | F110 | F110-F116 HydrophobicContact CE1-CZ 4.41Å; F110-F116 HydrophobicContact CZ-CE2 4.36Å; F110-F116 HydrophobicContact CZ-CZ 4.2Å |
| 117 | Y | 84.8 | Confident | 79.3 | Confident | 208 Ų | 208 | 127.1 Ų | 127.1 | 82% | 0.816 | 69% | 0.691 | S | S | * | * | | | trans | -105.8 | 121.8 | 173.7 | -62.4 | -88.1 | 0 | 0 | 0 | 108.9 | V115 | V115-Y117 HydrophobicContact CB-CE2 4.22Å; V115-Y117 HydrophobicContact CG1-CE1 4.14Å; V115-Y117 HydrophobicContact CG1-CE2 3.97Å |
| 118 | A | 89.8 | Confident | 81.4 | Confident | 86 Ų | 86 | 122 Ų | 122 | 71% | 0.711 | 67% | 0.672 | S | S | * | * | P | Polyproline II helix | trans | -102.6 | 141.3 | 171.5 | 0 | 0 | 0 | 0 | 0 | 109.6 | | |
| 119 | V | 92.1 | Very high | 83.6 | Confident | 137 Ų | 137 | 126.7 Ų | 126.7 | 83% | 0.83 | 68% | 0.679 | S | S | * | * | P | Polyproline II helix | trans | -93.6 | 136 | 169.4 | -65.4 | 0 | 0 | 0 | 0 | 109 | | |
| 120 | T | 94.2 | Very high | 85.5 | Confident | 134 Ų | 134 | 122.6 Ų | 122.6 | 82% | 0.822 | 67% | 0.668 | S | S | * | * | P | Polyproline II helix | trans | -87.9 | 119.9 | 167.9 | -56.5 | 0 | 0 | 0 | 0 | 108.2 | | |
| 121 | P | 95.9 | Very high | 87.6 | Confident | 110 Ų | 110 | 121.8 Ų | 121.8 | 71% | 0.714 | 67% | 0.67 | S | S | * | * | P | Polyproline II helix | trans | -60.6 | 147.1 | 176.6 | -22.2 | 33.5 | 0 | 0 | 0 | 111.4 | | |
| 122 | L | 95.9 | Very high | 89.5 | Confident | 150 Ų | 150 | 119.1 Ų | 119.1 | 79% | 0.785 | 66% | 0.661 | S | S | * | * | P | Polyproline II helix | trans | -67.1 | 136.1 | 168.3 | -62 | 176.9 | 0 | 0 | 0 | 109.1 | W124 | L122-W124 PolarHBondContact O-N 2.84Š|
| 123 | S | 97.1 | Very high | 91.3 | Very high | 131 Ų | 131 | 119 Ų | 119 | 92% | 0.916 | 66% | 0.663 | S | S | * | * | S | Bend | trans | -68.7 | -17 | 175.8 | 56.8 | 0 | 0 | 0 | 0 | 113.1 | | |
| 124 | W | 97.9 | Very high | 93 | Very high | 156 Ų | 156 | 117 Ų | 117 | 59% | 0.591 | 66% | 0.656 | S | S | * | * | | | trans | -156.3 | 149.8 | -179.7 | -178 | 89.3 | 0 | 0 | 0 | 111.4 | L122 P126 L128 | L122-W124 PolarHBondContact O-N 2.84Å; W124-P126 VanDerWaalsContact CH2-CA 3.44Å; W124-P126 HydrophobicContact CH2-CB 3.74Å; W124-P126 HydrophobicContact CZ2-CB 4.43Å; W124-P126 HydrophobicContact CZ3-CB 4.18Å; W124-L128 HydrophobicContact CG-CD1 4.23Å |
| 125 | C | 97.9 | Very high | 94.4 | Very high | 42 Ų | 42 | 115.5 Ų | 115.5 | 28% | 0.284 | 65% | 0.652 | S | S | . | * | | | trans | -142.1 | 152.6 | 167.6 | 76.9 | 0 | 0 | 0 | 0 | 110.8 | H127 L128 | C125-H127 PolarHBondContact O-N 3.45Å; C125-L128 WeakPolarHBondContact O-CG 3.47Å; C125-L128 PolarHBondContact O-N 3.44Å |
| 126 | P | 97.9 | Very high | 95.4 | Very high | 85 Ų | 85 | 116.6 Ų | 116.6 | 55% | 0.552 | 67% | 0.671 | S | S | * | * | G | 310 helix | trans | -65.3 | -12.4 | -178.4 | 27.1 | -35.4 | 0 | 0 | 0 | 113.6 | W124 L128 | W124-P126 VanDerWaalsContact CH2-CA 3.44Å; W124-P126 HydrophobicContact CH2-CB 3.74Å; W124-P126 HydrophobicContact CZ2-CB 4.43Å; W124-P126 HydrophobicContact CZ3-CB 4.18Å; P126-L128 VanDerWaalsContact C-N 3.35Å |
| 127 | H | 98.3 | Very high | 96.1 | Very high | 139 Ų | 139 | 114.3 Ų | 114.3 | 64% | 0.644 | 68% | 0.68 | S | S | * | * | G | 310 helix | trans | -83 | -9.2 | -179.6 | -48.5 | 109.7 | 0 | 0 | 0 | 113.4 | C125 M129 A130 | C125-H127 PolarHBondContact O-N 3.45Å; H127-M129 PolarHBondContact O-N 3.46Å; H127-M129 VanDerWaalsContact O-N 3.07Å; H127-A130 WeakPolarHBondContact O-CB 3.37Å; H127-A130 PolarHBondContact O-N 3.38Å |
| 128 | L | 97.5 | Very high | 96.7 | Very high | 80 Ų | 80 | 106 Ų | 106 | 42% | 0.419 | 66% | 0.658 | S | S | . | * | G | 310 helix | trans | -58 | -24.5 | 178.9 | -75.2 | 174.8 | 0 | 0 | 0 | 113.2 | W124 C125 P126 A130 V131 | W124-L128 HydrophobicContact CG-CD1 4.23Å; C125-L128 WeakPolarHBondContact O-CG 3.47Å; C125-L128 PolarHBondContact O-N 3.44Å; P126-L128 VanDerWaalsContact C-N 3.35Å; L128-A130 PolarHBondContact O-N 2.89Å; L128-V131 PolarHBondContact O-N 3.39Å |
| 129 | M | 97.4 | Very high | 97 | Very high | 159 Ų | 159 | 106.5 Ų | 106.5 | 78% | 0.783 | 65% | 0.648 | S | S | * | * | G | 310 helix | trans | -71.3 | -15.7 | 177.7 | -57.9 | -61.5 | 86.9 | 0 | 0 | 113.8 | H127 | H127-M129 PolarHBondContact O-N 3.46Å; H127-M129 VanDerWaalsContact O-N 3.07Å |
| 130 | A | 98 | Very high | 97.2 | Very high | 74 Ų | 74 | 104 Ų | 104 | 61% | 0.612 | 63% | 0.63 | S | S | * | * | G | 310 helix | trans | -88 | -11.3 | 176.9 | 0 | 0 | 0 | 0 | 0 | 113.1 | H127 L128 C132 | H127-A130 WeakPolarHBondContact O-CB 3.37Å; H127-A130 PolarHBondContact O-N 3.38Å; L128-A130 PolarHBondContact O-N 2.89Å; A130-C132 PolarHBondContact O-N 3.21Å |
| 131 | V | 98 | Very high | 97.4 | Very high | 72 Ų | 72 | 104.6 Ų | 104.6 | 44% | 0.436 | 63% | 0.633 | S | S | . | * | P | Polyproline II helix | trans | -70.5 | 127.9 | -178 | 178.1 | 0 | 0 | 0 | 0 | 109.8 | L128 L158 | L128-V131 PolarHBondContact O-N 3.39Å; V131-L158 HydrophobicContact CG1-CB 4.07Å; V131-L158 HydrophobicContact CG2-CB 4.36Å |
| 132 | C | 97.8 | Very high | 97.4 | Very high | 82 Ų | 82 | 102.8 Ų | 102.8 | 55% | 0.554 | 62% | 0.623 | S | S | * | * | P | Polyproline II helix | trans | -94.6 | 160.8 | -177.8 | -69.4 | 0 | 0 | 0 | 0 | 111.8 | A130 L158 | A130-C132 PolarHBondContact O-N 3.21Å; C132-L158 PolarHBondContact N-OXT 3.05Å |
| 133 | P | 97.9 | Very high | 97.5 | Very high | 124 Ų | 124 | 100.8 Ų | 100.8 | 81% | 0.805 | 61% | 0.61 | S | S | * | * | P | Polyproline II helix | trans | -58.2 | 144.7 | 170 | -23.3 | 34.1 | 0 | 0 | 0 | 111.9 | | |
| 134 | I | 97.3 | Very high | 97.6 | Very high | 133 Ų | 133 | 96.8 Ų | 96.8 | 68% | 0.682 | 58% | 0.581 | S | S | * | * | P | Polyproline II helix | trans | -62.4 | 134.8 | 178.8 | -57.9 | 174.2 | 0 | 0 | 0 | 109.6 | L139 | I134-L139 HydrophobicContact CG2-CG 4.39Š|
| 135 | P | 97.3 | Very high | 97.6 | Very high | 77 Ų | 77 | 91.1 Ų | 91.1 | 50% | 0.5 | 57% | 0.565 | S | S | . | * | P | Polyproline II helix | trans | -56 | 143.8 | 174.9 | -25 | 34.2 | 0 | 0 | 0 | 112.1 | A137 G138 | P135-A137 PolarHBondContact O-N 3.25Å; P135-A137 VanDerWaalsContact O-N 3.1Å; P135-G138 PolarHBondContact O-N 3.41Å |
| 136 | A | 97.9 | Very high | 97.6 | Very high | 118 Ų | 118 | 99.3 Ų | 99.3 | 98% | 0.975 | 60% | 0.596 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -59.6 | -25.5 | 179.3 | 0 | 0 | 0 | 0 | 0 | 113.7 | G138 | A136-G138 PolarHBondContact O-N 2.95Š|
| 137 | A | 96.6 | Very high | 97.6 | Very high | 103 Ų | 103 | 101.9 Ų | 101.9 | 85% | 0.851 | 61% | 0.61 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -76.1 | -8.7 | 174.7 | 0 | 0 | 0 | 0 | 0 | 113.8 | P135 | P135-A137 PolarHBondContact O-N 3.25Å; P135-A137 VanDerWaalsContact O-N 3.1Å |
| 138 | G | 96.9 | Very high | 97.6 | Very high | 35 Ų | 35 | 99.7 Ų | 99.7 | 36% | 0.361 | 61% | 0.609 | S | S | . | * | | | trans | 79.2 | -166.2 | -173.9 | 0 | 0 | 0 | 0 | 0 | 113.5 | P135 A136 | P135-G138 PolarHBondContact O-N 3.41Å; A136-G138 PolarHBondContact O-N 2.95Å |
| 139 | L | 96.9 | Very high | 97.6 | Very high | 95 Ų | 95 | 97.8 Ų | 97.8 | 50% | 0.497 | 61% | 0.609 | S | S | . | * | | | trans | -117.5 | 132.6 | 177.1 | -58.4 | 177.9 | 0 | 0 | 0 | 109 | I134 V156 | I134-L139 HydrophobicContact CG2-CG 4.39Å; L139-V156 HydrophobicContact CD1-CG1 4.32Å; L139-V156 HydrophobicContact CD2-CG2 4.24Å |
| 140 | D | 97.3 | Very high | 97.6 | Very high | 84 Ų | 84 | 92.3 Ų | 92.3 | 45% | 0.449 | 59% | 0.586 | S | S | . | * | | | trans | -105 | 112.2 | 174.7 | 175.5 | 9.5 | 0 | 0 | 0 | 110 | S142 Q143 | D140-S142 PolarHBondContact O-N 2.84Å; D140-S142 WeakPolarHBondContact OD1-CB 3.5Å; D140-S142 PolarHBondContact OD1-N 3.01Å; D140-S142 PolarHBondContact OD1-OG 3.14Å; D140-S142 PolarHBondContact OD2-OG 3.39Å; D140-Q143 HydrophobicContact CB-CG 3.75Å; D140-Q143 WeakPolarHBondContact O-CG 3.39Å; D140-Q143 PolarHBondContact O-N 3.31Å; D140-Q143 PolarHBondContact OD2-NE2 3.32Å |
| 141 | V | 97.2 | Very high | 97.6 | Very high | 147 Ų | 147 | 96.2 Ų | 96.2 | 89% | 0.891 | 59% | 0.59 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -74.6 | -11.5 | -177.7 | -60.8 | 0 | 0 | 0 | 0 | 113.6 | | |
| 142 | S | 97.2 | Very high | 97.6 | Very high | 72 Ų | 72 | 99.9 Ų | 99.9 | 50% | 0.503 | 60% | 0.602 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -91.4 | -2.7 | 178.7 | 72.9 | 0 | 0 | 0 | 0 | 113.3 | D140 F151 | D140-S142 PolarHBondContact O-N 2.84Å; D140-S142 WeakPolarHBondContact OD1-CB 3.5Å; D140-S142 PolarHBondContact OD1-N 3.01Å; D140-S142 PolarHBondContact OD1-OG 3.14Å; D140-S142 PolarHBondContact OD2-OG 3.39Å; S142-F151 VanDerWaalsContact O-CD1 3.3Å; S142-F151 WeakPolarHBondContact O-CD1 3.38Å; S142-F151 VanDerWaalsContact O-CE1 3.32Å; S142-F151 WeakPolarHBondContact O-CE1 3.41Å |
| 143 | Q | 97.4 | Very high | 97.6 | Very high | 109 Ų | 109 | 104.2 Ų | 104.2 | 51% | 0.509 | 61% | 0.614 | S | S | . | * | P | Polyproline II helix | trans | -61.9 | 132.9 | -178.6 | -71.8 | -67.6 | -56.3 | 0 | 0 | 111.3 | D140 N154 | D140-Q143 HydrophobicContact CB-CG 3.75Å; D140-Q143 WeakPolarHBondContact O-CG 3.39Å; D140-Q143 PolarHBondContact O-N 3.31Å; D140-Q143 PolarHBondContact OD2-NE2 3.32Å; Q143-N154 PolarHBondContact O-ND2 2.75Å |
| 144 | P | 98.2 | Very high | 97.6 | Very high | 46 Ų | 46 | 101.1 Ų | 101.1 | 30% | 0.299 | 59% | 0.591 | S | S | . | * | P | Polyproline II helix | trans | -74.1 | 160.4 | 175.6 | 30.9 | -34.1 | 0 | 0 | 0 | 111.3 | K146 S150 F151 | P144-K146 PolarHBondContact O-N 3.11Å; P144-S150 CarbonylContact C-O 3.52Å; P144-S150 VanDerWaalsContact CA-O 3.25Å; P144-S150 WeakPolarHBondContact CA-O 3.16Å; P144-F151 HydrophobicContact CB-CD1 4.16Å; P144-F151 HydrophobicContact CB-CD2 4.31Å; P144-F151 HydrophobicContact CB-CE1 3.86Å; P144-F151 HydrophobicContact CB-CE2 4.02Å; P144-F151 HydrophobicContact CB-CG 4.39Å; P144-F151 HydrophobicContact CB-CZ 3.78Å; P144-F151 HydrophobicContact CG-CE1 4.11Å; P144-F151 HydrophobicContact CG-CZ 3.99Å |
| 145 | C | 98.3 | Very high | 97.6 | Very high | 37 Ų | 37 | 106.5 Ų | 106.5 | 25% | 0.25 | 60% | 0.603 | C | S | . | * | P | Polyproline II helix | trans | -57.9 | 125.8 | 170.3 | 175.6 | 0 | 0 | 0 | 0 | 110.1 | T147 C148 G149 S150 N154 | C145-T147 PolarHBondContact O-N 3.47Å; C145-T147 VanDerWaalsContact O-N 3.12Å; C145-T147 PolarHBondContact SG-N 3.23Å; C145-T147 VanDerWaalsContact SG-N 3.43Å; C145-C148 VanDerWaalsContact CB-SG 3.54Å; C145-G149 VanDerWaalsContact O-CA 3.3Å; C145-G149 WeakPolarHBondContact O-CA 3.06Å; C145-G149 PolarHBondContact O-N 3.09Å; C145-S150 PolarHBondContact N-O 3.29Å; C145-N154 WeakPolarHBondContact CB-OD1 3.37Å; C145-N154 PolarHBondContact N-ND2 3.28Å; C145-N154 PolarHBondContact N-OD1 2.91Å |
| 146 | K | 97.6 | Very high | 97.6 | Very high | 215 Ų | 215 | 107 Ų | 107 | 94% | 0.935 | 60% | 0.604 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -62 | -22.3 | -179.8 | -65.3 | -177.2 | -179.4 | 177.7 | 0 | 113.6 | P144 | P144-K146 PolarHBondContact O-N 3.11Š|
| 147 | T | 98.3 | Very high | 97.6 | Very high | 139 Ų | 139 | 107.2 Ų | 107.2 | 85% | 0.853 | 60% | 0.597 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -93.1 | -45.2 | -177.1 | -51.5 | 0 | 0 | 0 | 0 | 112.5 | C145 | C145-T147 PolarHBondContact O-N 3.47Å; C145-T147 VanDerWaalsContact O-N 3.12Å; C145-T147 PolarHBondContact SG-N 3.23Å; C145-T147 VanDerWaalsContact SG-N 3.43Å |
| 148 | C | 98 | Very high | 97.6 | Very high | 93 Ų | 93 | 108.2 Ų | 108.2 | 63% | 0.628 | 59% | 0.588 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -116.1 | -5.7 | -172.8 | 68.2 | 0 | 0 | 0 | 0 | 114.9 | C145 S150 | C145-C148 VanDerWaalsContact CB-SG 3.54Å; C148-S150 PolarHBondContact O-N 3.09Å; C148-S150 VanDerWaalsContact SG-CB 3.58Å |
| 149 | G | 98.2 | Very high | 97.6 | Very high | 40 Ų | 40 | 111.9 Ų | 111.9 | 41% | 0.412 | 60% | 0.599 | S | S | . | * | | | trans | 72.5 | 4.5 | -179.1 | 0 | 0 | 0 | 0 | 0 | 115.2 | C145 | C145-G149 VanDerWaalsContact O-CA 3.3Å; C145-G149 WeakPolarHBondContact O-CA 3.06Å; C145-G149 PolarHBondContact O-N 3.09Å |
| 150 | S | 98.1 | Very high | 97.6 | Very high | 44 Ų | 44 | 112.8 Ų | 112.8 | 31% | 0.308 | 60% | 0.604 | S | S | . | * | | | trans | -62.6 | 140.4 | 177.5 | -179.6 | 0 | 0 | 0 | 0 | 111.5 | P144 C145 C148 Q152 N154 | P144-S150 CarbonylContact C-O 3.52Å; P144-S150 VanDerWaalsContact CA-O 3.25Å; P144-S150 WeakPolarHBondContact CA-O 3.16Å; C145-S150 PolarHBondContact N-O 3.29Å; C148-S150 PolarHBondContact O-N 3.09Å; C148-S150 VanDerWaalsContact SG-CB 3.58Å; S150-Q152 PolarHBondContact OG-N 2.82Å; S150-Q152 PolarHBondContact OG-O 2.99Å; S150-N154 PolarHBondContact O-ND2 2.76Å; S150-N154 PolarHBondContact O-OD1 3.04Å |
| 151 | F | 98.1 | Very high | 97.7 | Very high | 155 Ų | 155 | 114.4 Ų | 114.4 | 68% | 0.68 | 61% | 0.613 | S | S | * | * | | | trans | -96.5 | -0.4 | 169.2 | -71 | -89.9 | 0 | 0 | 0 | 112.7 | S142 P144 | S142-F151 VanDerWaalsContact O-CD1 3.3Å; S142-F151 WeakPolarHBondContact O-CD1 3.38Å; S142-F151 VanDerWaalsContact O-CE1 3.32Å; S142-F151 WeakPolarHBondContact O-CE1 3.41Å; P144-F151 HydrophobicContact CB-CD1 4.16Å; P144-F151 HydrophobicContact CB-CD2 4.31Å; P144-F151 HydrophobicContact CB-CE1 3.86Å; P144-F151 HydrophobicContact CB-CE2 4.02Å; P144-F151 HydrophobicContact CB-CG 4.39Å; P144-F151 HydrophobicContact CB-CZ 3.78Å; P144-F151 HydrophobicContact CG-CE1 4.11Å; P144-F151 HydrophobicContact CG-CZ 3.99Å |
| 152 | Q | 97.6 | Very high | 97.7 | Very high | 149 Ų | 149 | 112.5 Ų | 112.5 | 70% | 0.696 | 60% | 0.597 | S | S | * | * | S | Bend | trans | -96.3 | 132.2 | -177.2 | -151.5 | 95.7 | 48.9 | 0 | 0 | 110.5 | S150 N154 | S150-Q152 PolarHBondContact OG-N 2.82Å; S150-Q152 PolarHBondContact OG-O 2.99Å; Q152-N154 PolarHBondContact O-N 3.39Å |
| 153 | E | 97.3 | Very high | 97.7 | Very high | 173 Ų | 173 | 115 Ų | 115 | 81% | 0.808 | 60% | 0.603 | S | S | * | * | S | Bend | trans | 55.2 | 40.5 | 169.1 | -61.3 | -180 | 178.9 | 0 | 0 | 115.2 | W155 | E153-W155 PolarHBondContact O-NE1 3.17Š|
| 154 | N | 97.8 | Very high | 97.7 | Very high | 60 Ų | 60 | 115.4 Ų | 115.4 | 32% | 0.321 | 61% | 0.609 | S | S | . | * | | | trans | -77.5 | 149.4 | 176.8 | -66.8 | -41.7 | 0 | 0 | 0 | 112.3 | Q143 C145 S150 Q152 | Q143-N154 PolarHBondContact O-ND2 2.75Å; C145-N154 WeakPolarHBondContact CB-OD1 3.37Å; C145-N154 PolarHBondContact N-ND2 3.28Å; C145-N154 PolarHBondContact N-OD1 2.91Å; S150-N154 PolarHBondContact O-ND2 2.76Å; S150-N154 PolarHBondContact O-OD1 3.04Å; Q152-N154 PolarHBondContact O-N 3.39Å |
| 155 | W | 97.9 | Very high | 97.7 | Very high | 245 Ų | 245 | 120.4 Ų | 120.4 | 93% | 0.928 | 63% | 0.631 | S | S | * | * | | | trans | -126.8 | 152.2 | 177.6 | -60.4 | 78.6 | 0 | 0 | 0 | 109.9 | E153 | E153-W155 PolarHBondContact O-NE1 3.17Š|
| 156 | V | 97.1 | Very high | 97.7 | Very high | 87 Ų | 87 | 126.8 Ų | 126.8 | 53% | 0.527 | 66% | 0.66 | S | S | . | * | | | trans | -112.5 | 141.1 | 174.7 | 67.9 | 0 | 0 | 0 | 0 | 109.7 | L139 L158 | L139-V156 HydrophobicContact CD1-CG1 4.32Å; L139-V156 HydrophobicContact CD2-CG2 4.24Å; V156-L158 HydrophobicContact CG1-CD2 4.13Å |
| 157 | C | 96.9 | Very high | 97.7 | Very high | 123 Ų | 123 | 119.4 Ų | 119.4 | 83% | 0.831 | 64% | 0.637 | S | S | * | * | | | trans | -72.8 | 131.6 | 169.5 | -172.5 | 0 | 0 | 0 | 0 | 109.1 | | |
| 158 | L | 96.8 | Very high | 97.6 | Very high | 125 Ų | 125 | 117.6 Ų | 117.6 | 65% | 0.654 | 62% | 0.618 | S | S | * | * | | | trans | -92.5 | 0 | 176.4 | -56.7 | -179.5 | 0 | 0 | 0 | 111.1 | V131 C132 V156 | V131-L158 HydrophobicContact CG1-CB 4.07Å; V131-L158 HydrophobicContact CG2-CB 4.36Å; C132-L158 PolarHBondContact N-OXT 3.05Å; V156-L158 HydrophobicContact CG1-CD2 4.13Å |