| 1 | M | 46.5 | Very low | 43.6 | Very low | 206 Ų | 206 | 109.8 Ų | 109.8 | 100% | 1.015 | 85% | 0.845 | S | S | * | * | | | | 0 | 127 | 0 | -79 | -57.3 | -178.5 | 0 | 0 | 107.5 | Q3 | M1-Q3 HydrophobicContact CE-CG 4.06Å; M1-Q3 HydrophobicContact SD-CB 4.03Å; M1-Q3 HydrophobicContact SD-CG 3.52Å; M1-Q3 VanDerWaalsContact SD-CG 3.52Å |
| 2 | P | 60.3 | Low | 43.1 | Very low | 120 Ų | 120 | 107.7 Ų | 107.7 | 78% | 0.779 | 85% | 0.846 | S | S | * | * | | | cis | -65.3 | 168.1 | -2.4 | 30.7 | -36 | 0 | 0 | 0 | 112.2 | | |
| 3 | Q | 48.5 | Very low | 42.7 | Very low | 140 Ų | 140 | 106.3 Ų | 106.3 | 65% | 0.654 | 85% | 0.853 | S | S | * | * | | | cis | 85.5 | 150.7 | 20.5 | -95.7 | -81.1 | 48.6 | 0 | 0 | 116.8 | M1 | M1-Q3 HydrophobicContact CE-CG 4.06Å; M1-Q3 HydrophobicContact SD-CB 4.03Å; M1-Q3 HydrophobicContact SD-CG 3.52Å; M1-Q3 VanDerWaalsContact SD-CG 3.52Å |
| 4 | L | 47.5 | Very low | 42.4 | Very low | 159 Ų | 159 | 104.4 Ų | 104.4 | 83% | 0.832 | 85% | 0.85 | S | S | * | * | | | trans | 74.2 | 128.9 | -178.6 | -46.7 | 179.3 | 0 | 0 | 0 | 115.6 | | |
| 5 | G | 40.7 | Very low | 42.3 | Very low | 73 Ų | 73 | 102.3 Ų | 102.3 | 75% | 0.753 | 84% | 0.843 | S | S | * | * | | | cis | 162.9 | 141.2 | -13.2 | 0 | 0 | 0 | 0 | 0 | 114.8 | | |
| 6 | G | 39.7 | Very low | 42.2 | Very low | 89 Ų | 89 | 103.8 Ų | 103.8 | 92% | 0.918 | 85% | 0.846 | S | S | * | * | | | trans | 76.6 | 158.4 | 168.4 | 0 | 0 | 0 | 0 | 0 | 116.4 | | |
| 7 | G | 39.8 | Very low | 41.9 | Very low | 80 Ų | 80 | 102.6 Ų | 102.6 | 83% | 0.825 | 85% | 0.847 | S | S | * | * | | | cis | 155.6 | 118 | -10.5 | 0 | 0 | 0 | 0 | 0 | 114.2 | | |
| 8 | G | 38.8 | Very low | 41.5 | Very low | 89 Ų | 89 | 101.8 Ų | 101.8 | 92% | 0.918 | 85% | 0.85 | S | S | * | * | | | trans | 84 | 156.2 | 172.7 | 0 | 0 | 0 | 0 | 0 | 115.5 | | |
| 9 | G | 38.8 | Very low | 41.1 | Very low | 80 Ų | 80 | 99.9 Ų | 99.9 | 83% | 0.825 | 84% | 0.841 | S | S | * | * | | | cis | 158.9 | 129 | -9.1 | 0 | 0 | 0 | 0 | 0 | 114.1 | | |
| 10 | G | 39.6 | Very low | 40.8 | Very low | 88 Ų | 88 | 101.9 Ų | 101.9 | 91% | 0.907 | 85% | 0.848 | S | S | * | * | | | trans | 75 | 154.8 | -176.8 | 0 | 0 | 0 | 0 | 0 | 113.2 | | |
| 11 | G | 39.1 | Very low | 40.5 | Very low | 84 Ų | 84 | 100.9 Ų | 100.9 | 87% | 0.866 | 85% | 0.847 | S | S | * | * | | | cis | 170 | 161.9 | -3.7 | 0 | 0 | 0 | 0 | 0 | 108.1 | | |
| 12 | G | 38.2 | Very low | 40 | Very low | 84 Ų | 84 | 96.6 Ų | 96.6 | 87% | 0.866 | 84% | 0.838 | S | S | * | * | | | cis | 160.9 | 140.2 | -1.2 | 0 | 0 | 0 | 0 | 0 | 109.9 | | |
| 13 | G | 37.4 | Very low | 38.7 | Very low | 90 Ų | 90 | 96.1 Ų | 96.1 | 93% | 0.928 | 84% | 0.837 | S | S | * | * | | | trans | 100.7 | 146.8 | 177.5 | 0 | 0 | 0 | 0 | 0 | 115 | | |
| 14 | G | 39.3 | Very low | 38.1 | Very low | 79 Ų | 79 | 94.6 Ų | 94.6 | 81% | 0.814 | 85% | 0.848 | S | S | * | * | | | cis | 164.4 | 137.6 | -10.8 | 0 | 0 | 0 | 0 | 0 | 115.3 | | |
| 15 | G | 40 | Very low | 37.4 | Very low | 73 Ų | 73 | 90.3 Ų | 90.3 | 75% | 0.753 | 84% | 0.843 | S | S | * | * | | | trans | 87.8 | 157.6 | 167.3 | 0 | 0 | 0 | 0 | 0 | 116.5 | | |
| 16 | S | 40.9 | Very low | 37.2 | Very low | 127 Ų | 127 | 91.7 Ų | 91.7 | 89% | 0.888 | 85% | 0.847 | S | S | * | * | | | cis | -164.1 | 141.7 | -7.9 | -81.7 | 0 | 0 | 0 | 0 | 111.7 | | |
| 17 | G | 37 | Very low | 37.1 | Very low | 83 Ų | 83 | 92.9 Ų | 92.9 | 86% | 0.856 | 85% | 0.849 | S | S | * | * | | | trans | 75.6 | 150.7 | 169.6 | 0 | 0 | 0 | 0 | 0 | 115.9 | | |
| 18 | G | 34.4 | Very low | 36.8 | Very low | 88 Ų | 88 | 92.7 Ų | 92.7 | 91% | 0.907 | 85% | 0.846 | S | S | * | * | | | cis | 103.3 | 119 | -0.2 | 0 | 0 | 0 | 0 | 0 | 113.3 | | |
| 19 | G | 34.1 | Very low | 36.6 | Very low | 66 Ų | 66 | 92.6 Ų | 92.6 | 68% | 0.68 | 85% | 0.845 | S | S | * | * | | | cis | 176.1 | -159.8 | -2.2 | 0 | 0 | 0 | 0 | 0 | 112.7 | | |
| 20 | S | 35.4 | Very low | 36.5 | Very low | 139 Ų | 139 | 92.1 Ų | 92.1 | 97% | 0.972 | 84% | 0.84 | S | S | * | * | | | trans | 74 | 144 | 177.9 | 78.2 | 0 | 0 | 0 | 0 | 118 | | |
| 21 | G | 34.7 | Very low | 36.4 | Very low | 81 Ų | 81 | 95.9 Ų | 95.9 | 84% | 0.835 | 84% | 0.84 | S | S | * | * | | | trans | 151.3 | 57.5 | 178.6 | 0 | 0 | 0 | 0 | 0 | 117.9 | | |
| 22 | S | 34.9 | Very low | 36.6 | Very low | 117 Ų | 117 | 98.6 Ų | 98.6 | 82% | 0.818 | 83% | 0.834 | S | S | * | * | | | trans | -77.8 | 159.8 | 167.3 | -56.4 | 0 | 0 | 0 | 0 | 110.8 | | |
| 23 | S | 33.2 | Very low | 36.9 | Very low | 109 Ų | 109 | 103.4 Ų | 103.4 | 76% | 0.762 | 84% | 0.839 | S | S | * | * | | | cis | -175.2 | 171.5 | -6.2 | 41.2 | 0 | 0 | 0 | 0 | 110.4 | | |
| 24 | A | 36.7 | Very low | 36.9 | Very low | 108 Ų | 108 | 101.5 Ų | 101.5 | 89% | 0.893 | 82% | 0.819 | S | S | * | * | | | trans | 69.3 | 154.9 | 173.7 | 0 | 0 | 0 | 0 | 0 | 116.3 | | |
| 25 | G | 33.4 | Very low | 36.9 | Very low | 70 Ų | 70 | 102.9 Ų | 102.9 | 72% | 0.722 | 82% | 0.823 | S | S | * | * | | | cis | -171.5 | 145.1 | -8.6 | 0 | 0 | 0 | 0 | 0 | 107.3 | | |
| 26 | A | 35.2 | Very low | 36.8 | Very low | 101 Ų | 101 | 106.7 Ų | 106.7 | 84% | 0.835 | 83% | 0.826 | S | S | * | * | | | | 123.1 | 137.4 | 62.2 | 0 | 0 | 0 | 0 | 0 | 108.3 | | |
| 27 | A | 38.4 | Very low | 36.9 | Very low | 115 Ų | 115 | 107 Ų | 107 | 95% | 0.95 | 82% | 0.818 | S | S | * | * | | | trans | 63.7 | 153.2 | -179.1 | 0 | 0 | 0 | 0 | 0 | 117.7 | | |
| 28 | G | 34.2 | Very low | 37.6 | Very low | 75 Ų | 75 | 112.5 Ų | 112.5 | 77% | 0.773 | 82% | 0.821 | S | S | * | * | | | cis | 155.8 | 125.1 | -12.8 | 0 | 0 | 0 | 0 | 0 | 114.3 | | |
| 29 | G | 34.4 | Very low | 38.4 | Very low | 87 Ų | 87 | 114.2 Ų | 114.2 | 90% | 0.897 | 81% | 0.809 | S | S | * | * | | | trans | 76.8 | 166.9 | -176.3 | 0 | 0 | 0 | 0 | 0 | 113.3 | | |
| 30 | G | 35.8 | Very low | 38.8 | Very low | 70 Ų | 70 | 117.5 Ų | 117.5 | 72% | 0.722 | 81% | 0.809 | S | S | * | * | | | cis | -171.7 | 162.6 | -2.2 | 0 | 0 | 0 | 0 | 0 | 109.9 | | |
| 31 | D | 37.5 | Very low | 39.3 | Very low | 168 Ų | 168 | 116.3 Ų | 116.3 | 90% | 0.898 | 80% | 0.798 | S | S | * | * | | | trans | -39 | 134.4 | -179.7 | 39.2 | -67.5 | 0 | 0 | 0 | 118.4 | | |
| 32 | D | 43.7 | Very low | 39.2 | Very low | 140 Ų | 140 | 120.5 Ų | 120.5 | 75% | 0.749 | 79% | 0.794 | S | S | * | * | | | trans | -142.5 | 126.8 | 152.7 | -170.4 | -64.6 | 0 | 0 | 0 | 110.2 | G34 | D32-G34 PolarHBondContact OD1-N 3.44Å; D32-G34 VanDerWaalsContact OD1-N 3.17Å |
| 33 | L | 44.6 | Very low | 39.1 | Very low | 186 Ų | 186 | 122 Ų | 122 | 97% | 0.974 | 79% | 0.788 | S | S | * | * | | | trans | -149.7 | 72.8 | 161.8 | -78.2 | -176.3 | 0 | 0 | 0 | 109 | | |
| 34 | G | 36.8 | Very low | 39.5 | Very low | 49 Ų | 49 | 123.3 Ų | 123.3 | 51% | 0.505 | 79% | 0.786 | S | S | . | * | | | trans | -129.3 | 26.7 | -169.3 | 0 | 0 | 0 | 0 | 0 | 117.9 | D32 N36 | D32-G34 PolarHBondContact OD1-N 3.44Å; D32-G34 VanDerWaalsContact OD1-N 3.17Å; G34-N36 PolarHBondContact O-N 3.16Å; G34-N36 PolarHBondContact O-ND2 3.17Å; G34-N36 VanDerWaalsContact O-ND2 3.16Å |
| 35 | A | 39.9 | Very low | 39.8 | Very low | 108 Ų | 108 | 127.1 Ų | 127.1 | 89% | 0.893 | 79% | 0.786 | S | S | * | * | | | trans | -56.2 | 131.4 | -175 | 0 | 0 | 0 | 0 | 0 | 113.9 | | |
| 36 | N | 36.7 | Very low | 39.7 | Very low | 154 Ų | 154 | 127.6 Ų | 127.6 | 82% | 0.824 | 79% | 0.791 | S | S | * | * | | | trans | -126.4 | 162.2 | 178.7 | -93.8 | -96.5 | 0 | 0 | 0 | 111.9 | G34 | G34-N36 PolarHBondContact O-N 3.16Å; G34-N36 PolarHBondContact O-ND2 3.17Å; G34-N36 VanDerWaalsContact O-ND2 3.16Å |
| 37 | D | 44.3 | Very low | 39.9 | Very low | 133 Ų | 133 | 126.3 Ų | 126.3 | 71% | 0.711 | 79% | 0.788 | S | S | * | * | | | trans | -53.1 | 142.9 | 166.8 | -87.6 | -133 | 0 | 0 | 0 | 113.4 | | |
| 38 | E | 52 | Low | 39.7 | Very low | 198 Ų | 198 | 129.7 Ų | 129.7 | 93% | 0.925 | 78% | 0.784 | S | S | * | * | | | trans | -139.3 | 157.4 | 140.5 | -74.7 | -156.8 | 134.6 | 0 | 0 | 109.7 | | |
| 39 | L | 51.7 | Low | 40.2 | Very low | 125 Ų | 125 | 135.2 Ų | 135.2 | 65% | 0.654 | 79% | 0.789 | S | S | * | * | | | trans | -139.6 | 163.1 | -162.6 | -111.8 | 82.2 | 0 | 0 | 0 | 112.3 | | |
| 40 | I | 42.2 | Very low | 40.3 | Very low | 134 Ų | 134 | 139.8 Ų | 139.8 | 69% | 0.687 | 79% | 0.788 | S | S | * | * | | | trans | 74.1 | 137.8 | 157.1 | -70.4 | 160.3 | 0 | 0 | 0 | 113.7 | F42 | I40-F42 HydrophobicContact CG2-CD2 4.19Å; I40-F42 HydrophobicContact CG2-CE2 3.91Å |
| 41 | P | 44.5 | Very low | 40.7 | Very low | 114 Ų | 114 | 144.7 Ų | 144.7 | 74% | 0.74 | 79% | 0.792 | S | S | * | * | | | | -143.2 | 163.7 | 57.2 | 31.5 | -7.4 | 0 | 0 | 0 | 120.7 | | |
| 42 | F | 33.7 | Very low | 40.7 | Very low | 169 Ų | 169 | 141.5 Ų | 141.5 | 74% | 0.741 | 78% | 0.78 | S | S | * | * | | | trans | 5 | 162.3 | 148.1 | -56.4 | -89.9 | 0 | 0 | 0 | 121.4 | I40 | I40-F42 HydrophobicContact CG2-CD2 4.19Å; I40-F42 HydrophobicContact CG2-CE2 3.91Å |
| 43 | Q | 33.3 | Very low | 40.4 | Very low | 149 Ų | 149 | 139.1 Ų | 139.1 | 70% | 0.696 | 78% | 0.775 | S | S | * | * | | | cis | -163.6 | 120.6 | 30.7 | -167.2 | 70 | 51.3 | 0 | 0 | 106.7 | | |
| 44 | D | 40.9 | Very low | 40.6 | Very low | 136 Ų | 136 | 135.5 Ų | 135.5 | 73% | 0.727 | 76% | 0.764 | S | S | * | * | | | | 92.4 | 160 | 86.8 | -154.1 | 8.4 | 0 | 0 | 0 | 116 | | |
| 45 | E | 42.3 | Very low | 41.2 | Very low | 188 Ų | 188 | 139.3 Ų | 139.3 | 88% | 0.879 | 77% | 0.774 | S | S | * | * | | | trans | 70 | 140.1 | 171.1 | -130.6 | -179.9 | 171.2 | 0 | 0 | 121.2 | | |
| 46 | G | 32.1 | Very low | 41.5 | Very low | 80 Ų | 80 | 137.5 Ų | 137.5 | 83% | 0.825 | 75% | 0.754 | S | S | * | * | | | trans | 77.9 | 122.4 | 168.6 | 0 | 0 | 0 | 0 | 0 | 117.3 | | |
| 47 | G | 38.2 | Very low | 42.2 | Very low | 75 Ų | 75 | 132.5 Ų | 132.5 | 77% | 0.773 | 73% | 0.734 | S | S | * | * | | | cis | 104.5 | 50.4 | -8.3 | 0 | 0 | 0 | 0 | 0 | 116.5 | | |
| 48 | E | 35.1 | Very low | 42.7 | Very low | 185 Ų | 185 | 129.1 Ų | 129.1 | 86% | 0.864 | 72% | 0.721 | S | S | * | * | | | trans | -159.4 | 161.5 | 164.1 | -117.4 | 161.8 | -126.5 | 0 | 0 | 112.9 | | |
| 49 | E | 45 | Very low | 42.9 | Very low | 191 Ų | 191 | 122.7 Ų | 122.7 | 89% | 0.893 | 70% | 0.702 | S | S | * | * | | | trans | -84.1 | 138.7 | -177.2 | -57.9 | 177.2 | 142.2 | 0 | 0 | 111 | | |
| 50 | Q | 36.7 | Very low | 43.2 | Very low | 184 Ų | 184 | 121.8 Ų | 121.8 | 86% | 0.86 | 69% | 0.694 | S | S | * | * | | | trans | -152.6 | 139.7 | 172.2 | -120.8 | 154.3 | 100.6 | 0 | 0 | 114.3 | | |
| 51 | E | 42.9 | Very low | 44.2 | Very low | 173 Ų | 173 | 124.1 Ų | 124.1 | 81% | 0.808 | 69% | 0.694 | S | S | * | * | | | trans | -56.9 | 149.4 | -172.7 | -77.7 | -84 | 91.3 | 0 | 0 | 114.6 | S53 | E51-S53 PolarHBondContact O-N 3.41Å; E51-S53 VanDerWaalsContact O-N 3.12Å |
| 52 | P | 38.8 | Very low | 45.6 | Very low | 100 Ų | 100 | 123.7 Ų | 123.7 | 65% | 0.649 | 69% | 0.686 | S | S | * | * | | | trans | -66.6 | 111.8 | 172.3 | 28.6 | -33.5 | 0 | 0 | 0 | 110.8 | | |
| 53 | S | 37 | Very low | 47.2 | Very low | 91 Ų | 91 | 121 Ų | 121 | 64% | 0.636 | 68% | 0.678 | S | S | * | * | | | trans | -56.6 | 142.4 | 178.9 | 59.8 | 0 | 0 | 0 | 0 | 112.6 | E51 D55 S56 | E51-S53 PolarHBondContact O-N 3.41Å; E51-S53 VanDerWaalsContact O-N 3.12Å; S53-D55 PolarHBondContact O-N 2.97Å; S53-S56 PolarHBondContact O-N 3.12Å; S53-S56 PolarHBondContact O-OG 3.24Å; S53-S56 VanDerWaalsContact O-OG 3.11Å |
| 54 | S | 48.4 | Very low | 48.8 | Very low | 109 Ų | 109 | 117 Ų | 117 | 76% | 0.762 | 66% | 0.662 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -60.8 | -18.5 | -162.3 | -45.2 | 0 | 0 | 0 | 0 | 115.7 | | |
| 55 | D | 50.2 | Low | 50.1 | Low | 130 Ų | 130 | 117 Ų | 117 | 70% | 0.695 | 66% | 0.657 | S | S | * | * | H | α-helix | trans | -70.4 | -31.5 | -180 | -103.8 | -37.9 | 0 | 0 | 0 | 113.8 | S53 A57 S58 A59 | S53-D55 PolarHBondContact O-N 2.97Å; D55-A57 PolarHBondContact O-N 3.11Å; D55-S58 WeakPolarHBondContact O-CB 3.43Å; D55-S58 PolarHBondContact O-N 3.21Å; D55-A59 PolarHBondContact O-N 2.64Å |
| 56 | S | 45.9 | Very low | 51.5 | Low | 70 Ų | 70 | 112.6 Ų | 112.6 | 49% | 0.49 | 64% | 0.643 | S | S | . | * | H | α-helix | trans | -64.9 | -28.9 | 179.2 | 64.3 | 0 | 0 | 0 | 0 | 112.5 | S53 Q60 | S53-S56 PolarHBondContact O-N 3.12Å; S53-S56 PolarHBondContact O-OG 3.24Å; S53-S56 VanDerWaalsContact O-OG 3.11Å; S56-Q60 PolarHBondContact O-N 3.19Å |
| 57 | A | 51.9 | Low | 52.9 | Low | 48 Ų | 48 | 115.1 Ų | 115.1 | 40% | 0.397 | 63% | 0.632 | S | S | . | * | H | α-helix | trans | -72.3 | -29 | 174 | 0 | 0 | 0 | 0 | 0 | 113 | D55 R61 | D55-A57 PolarHBondContact O-N 3.11Å; A57-R61 WeakPolarHBondContact O-CG 3.15Å; A57-R61 PolarHBondContact O-N 3Å |
| 58 | S | 53.8 | Low | 53.9 | Low | 62 Ų | 62 | 114.7 Ų | 114.7 | 43% | 0.434 | 62% | 0.617 | S | S | . | * | H | α-helix | trans | -69.5 | -51.1 | 175.9 | -55.9 | 0 | 0 | 0 | 0 | 111 | D55 Q60 R61 D62 | D55-S58 WeakPolarHBondContact O-CB 3.43Å; D55-S58 PolarHBondContact O-N 3.21Å; S58-Q60 VanDerWaalsContact C-N 3.26Å; S58-Q60 PolarHBondContact O-N 3.3Å; S58-R61 PolarHBondContact O-N 3.06Å; S58-R61 VanDerWaalsContact O-N 3.16Å; S58-D62 PolarHBondContact O-N 3.28Å |
| 59 | A | 57.1 | Low | 55.3 | Low | 63 Ų | 63 | 109.8 Ų | 109.8 | 52% | 0.521 | 60% | 0.603 | S | S | . | * | H | α-helix | trans | -63.3 | -30 | 179.8 | 0 | 0 | 0 | 0 | 0 | 113.3 | D55 | D55-A59 PolarHBondContact O-N 2.64Å |
| 60 | Q | 56.8 | Low | 56.1 | Low | 106 Ų | 106 | 107.2 Ų | 107.2 | 50% | 0.495 | 59% | 0.594 | S | S | . | * | H | α-helix | trans | -70.9 | -38.8 | 174.9 | -176.9 | 56.3 | 55.9 | 0 | 0 | 112.4 | S56 S58 L63 D64 | S56-Q60 PolarHBondContact O-N 3.19Å; S58-Q60 VanDerWaalsContact C-N 3.26Å; S58-Q60 PolarHBondContact O-N 3.3Å; Q60-L63 PolarHBondContact O-N 3.32Å; Q60-D64 PolarHBondContact NE2-OD2 3.38Å; Q60-D64 PolarHBondContact O-N 3.38Å |
| 61 | R | 64.6 | Low | 56.7 | Low | 183 Ų | 183 | 103.6 Ų | 103.6 | 69% | 0.691 | 59% | 0.585 | S | S | * | * | H | α-helix | trans | -64.2 | -44.3 | 178.8 | -75.9 | 173.7 | -179.7 | 156.9 | 2 | 112.4 | A57 S58 L63 D64 E65 | A57-R61 WeakPolarHBondContact O-CG 3.15Å; A57-R61 PolarHBondContact O-N 3Å; S58-R61 PolarHBondContact O-N 3.06Å; S58-R61 VanDerWaalsContact O-N 3.16Å; R61-L63 VanDerWaalsContact C-N 3.27Å; R61-L63 PolarHBondContact O-N 2.82Å; R61-D64 CarbonylContact O-C 3.59Å; R61-D64 PolarHBondContact O-N 2.86Å; R61-E65 PolarHBondContact O-N 3.37Å |
| 62 | D | 72.8 | Confident | 56.6 | Low | 106 Ų | 106 | 101.4 Ų | 101.4 | 57% | 0.567 | 58% | 0.578 | S | S | * | * | H | α-helix | trans | -57 | -40.8 | -179.7 | -165.7 | 59.9 | 0 | 0 | 0 | 111.6 | S58 E65 V66 | S58-D62 PolarHBondContact O-N 3.28Å; D62-E65 PolarHBondContact O-N 3.06Å; D62-V66 WeakPolarHBondContact O-CG2 3.35Å; D62-V66 PolarHBondContact O-N 3.34Å |
| 63 | L | 68.4 | Low | 56.9 | Low | 112 Ų | 112 | 104.7 Ų | 104.7 | 59% | 0.586 | 59% | 0.585 | S | S | * | * | H | α-helix | trans | -67.1 | -34.7 | 174.8 | -69.9 | 174 | 0 | 0 | 0 | 114 | Q60 R61 K67 | Q60-L63 PolarHBondContact O-N 3.32Å; R61-L63 VanDerWaalsContact C-N 3.27Å; R61-L63 PolarHBondContact O-N 2.82Å; L63-K67 WeakPolarHBondContact O-CB 3.4Å; L63-K67 PolarHBondContact O-N 3.34Å |
| 64 | D | 65.1 | Low | 57.6 | Low | 65 Ų | 65 | 105.2 Ų | 105.2 | 35% | 0.348 | 59% | 0.589 | S | S | . | * | H | α-helix | trans | -80.2 | -23.5 | 176.2 | -77 | -55.7 | 0 | 0 | 0 | 112.5 | Q60 R61 K67 S68 | Q60-D64 PolarHBondContact NE2-OD2 3.38Å; Q60-D64 PolarHBondContact O-N 3.38Å; R61-D64 CarbonylContact O-C 3.59Å; R61-D64 PolarHBondContact O-N 2.86Å; D64-K67 IonicContact OD1-NZ 3.13Å; D64-K67 PolarHBondContact OD1-NZ 3.2Å; D64-S68 WeakPolarHBondContact O-CB 3.49Å; D64-S68 PolarHBondContact O-N 3.19Å; D64-S68 PolarHBondContact O-OG 3.38Å |
| 65 | E | 69.6 | Low | 57.4 | Low | 136 Ų | 136 | 108.5 Ų | 108.5 | 64% | 0.636 | 59% | 0.592 | S | S | * | * | H | α-helix | trans | -74.9 | -46.2 | 172.8 | -165.7 | 153.7 | -139.2 | 0 | 0 | 111.5 | R61 D62 K67 S68 S69 | R61-E65 PolarHBondContact O-N 3.37Å; D62-E65 PolarHBondContact O-N 3.06Å; E65-K67 PolarHBondContact O-N 2.96Å; E65-S68 WeakPolarHBondContact CA-OG 3.5Å; E65-S68 PolarHBondContact O-N 3.36Å; E65-S68 PolarHBondContact O-OG 3.28Å; E65-S68 VanDerWaalsContact O-OG 3.08Å; E65-S69 WeakPolarHBondContact O-CB 3.38Å; E65-S69 PolarHBondContact O-N 2.97Å |
| 66 | V | 71.1 | Confident | 56.9 | Low | 95 Ų | 95 | 109.5 Ų | 109.5 | 58% | 0.576 | 60% | 0.597 | S | S | * | * | H | α-helix | trans | -57 | -37.7 | 170.2 | 170.1 | 0 | 0 | 0 | 0 | 111.8 | D62 L70 | D62-V66 WeakPolarHBondContact O-CG2 3.35Å; D62-V66 PolarHBondContact O-N 3.34Å; V66-L70 PolarHBondContact O-N 2.92Å |
| 67 | K | 62 | Low | 56.8 | Low | 134 Ų | 134 | 114.8 Ų | 114.8 | 58% | 0.583 | 61% | 0.614 | S | S | * | * | H | α-helix | trans | -76 | -27.7 | -179.4 | 177 | 177.5 | 152.6 | -148.6 | 0 | 113.7 | L63 D64 E65 | L63-K67 WeakPolarHBondContact O-CB 3.4Å; L63-K67 PolarHBondContact O-N 3.34Å; D64-K67 IonicContact OD1-NZ 3.13Å; D64-K67 PolarHBondContact OD1-NZ 3.2Å; E65-K67 PolarHBondContact O-N 2.96Å |
| 68 | S | 58.2 | Low | 56 | Low | 66 Ų | 66 | 117.8 Ų | 117.8 | 46% | 0.462 | 63% | 0.633 | S | S | . | * | H | α-helix | trans | -84.6 | -31.4 | 173.4 | 51.6 | 0 | 0 | 0 | 0 | 112.4 | D64 E65 L70 V71 | D64-S68 WeakPolarHBondContact O-CB 3.49Å; D64-S68 PolarHBondContact O-N 3.19Å; D64-S68 PolarHBondContact O-OG 3.38Å; E65-S68 WeakPolarHBondContact CA-OG 3.5Å; E65-S68 PolarHBondContact O-N 3.36Å; E65-S68 PolarHBondContact O-OG 3.28Å; E65-S68 VanDerWaalsContact O-OG 3.08Å; S68-L70 PolarHBondContact O-N 3.08Å; S68-V71 WeakPolarHBondContact O-CG2 3.23Å; S68-V71 PolarHBondContact O-N 3.48Å |
| 69 | S | 64.1 | Low | 54.9 | Low | 81 Ų | 81 | 119.9 Ų | 119.9 | 57% | 0.566 | 65% | 0.647 | S | S | * | * | H | α-helix | trans | -55.4 | -48.6 | 166.7 | 177.8 | 0 | 0 | 0 | 0 | 112 | E65 V71 N72 | E65-S69 WeakPolarHBondContact O-CB 3.38Å; E65-S69 PolarHBondContact O-N 2.97Å; S69-V71 PolarHBondContact O-N 2.86Å; S69-N72 PolarHBondContact O-N 2.68Å |
| 70 | L | 62.3 | Low | 53.8 | Low | 138 Ų | 138 | 122.4 Ų | 122.4 | 72% | 0.723 | 66% | 0.661 | S | S | * | * | H | α-helix | trans | -61.5 | -19 | -176.5 | -173.5 | 60.1 | 0 | 0 | 0 | 114.9 | V66 S68 | V66-L70 PolarHBondContact O-N 2.92Å; S68-L70 PolarHBondContact O-N 3.08Å |
| 71 | V | 49.3 | Very low | 52.4 | Low | 108 Ų | 108 | 123 Ų | 123 | 66% | 0.655 | 68% | 0.677 | S | S | * | * | H | α-helix | trans | -94.4 | -19.2 | 176.3 | -63.8 | 0 | 0 | 0 | 0 | 113.8 | S68 S69 | S68-V71 WeakPolarHBondContact O-CG2 3.23Å; S68-V71 PolarHBondContact O-N 3.48Å; S69-V71 PolarHBondContact O-N 2.86Å |
| 72 | N | 40.8 | Very low | 50.8 | Low | 127 Ų | 127 | 121.1 Ų | 121.1 | 68% | 0.679 | 68% | 0.681 | S | S | * | * | H | α-helix | trans | -87.9 | -21.8 | -175.1 | -156.2 | 100.6 | 0 | 0 | 0 | 113.7 | S69 S74 | S69-N72 PolarHBondContact O-N 2.68Å; N72-S74 PolarHBondContact O-N 3.32Å |
| 73 | E | 46.2 | Very low | 48.9 | Very low | 168 Ų | 168 | 121.4 Ų | 121.4 | 79% | 0.785 | 69% | 0.691 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -73.1 | -13.6 | 178.8 | -157.4 | 178.9 | 99.1 | 0 | 0 | 113.1 | | |
| 74 | S | 51 | Low | 47.1 | Very low | 102 Ų | 102 | 124.5 Ų | 124.5 | 71% | 0.713 | 70% | 0.702 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -85.7 | -11.5 | -169.8 | -68.7 | 0 | 0 | 0 | 0 | 116.1 | N72 | N72-S74 PolarHBondContact O-N 3.32Š|
| 75 | E | 44.3 | Very low | 45.6 | Very low | 179 Ų | 179 | 126.4 Ų | 126.4 | 84% | 0.836 | 73% | 0.727 | S | S | * | * | S | Bend | trans | -97.3 | -17.7 | -168.7 | -155 | 161.9 | 122.3 | 0 | 0 | 114.6 | Q77 | E75-Q77 PolarHBondContact O-N 3.29Š|
| 76 | N | 39.5 | Very low | 43.9 | Very low | 150 Ų | 150 | 127.2 Ų | 127.2 | 80% | 0.802 | 73% | 0.731 | S | S | * | * | S | Bend | trans | -93.6 | 13 | -167.8 | -105.3 | 84.9 | 0 | 0 | 0 | 116.7 | | |
| 77 | Q | 44.1 | Very low | 42 | Very low | 181 Ų | 181 | 133 Ų | 133 | 85% | 0.846 | 74% | 0.743 | S | S | * | * | | | trans | -114.3 | 55 | -178.7 | -63.5 | -158.6 | 23.5 | 0 | 0 | 114.6 | E75 | E75-Q77 PolarHBondContact O-N 3.29Š|
| 78 | S | 33.9 | Very low | 40.4 | Very low | 112 Ų | 112 | 138.2 Ų | 138.2 | 78% | 0.783 | 76% | 0.758 | S | S | * | * | | | trans | -165.2 | 126.9 | 156 | -79.2 | 0 | 0 | 0 | 0 | 107.3 | | |
| 79 | S | 32.4 | Very low | 39.5 | Very low | 105 Ų | 105 | 140 Ų | 140 | 73% | 0.734 | 77% | 0.768 | S | S | * | * | | | cis | -166.4 | 171.9 | 32.8 | 52.3 | 0 | 0 | 0 | 0 | 113.1 | | |
| 80 | S | 32.3 | Very low | 37.9 | Very low | 116 Ų | 116 | 144.2 Ų | 144.2 | 81% | 0.811 | 78% | 0.779 | S | S | * | * | | | trans | 64.6 | 127.4 | 163.7 | 68.8 | 0 | 0 | 0 | 0 | 119.6 | | |
| 81 | S | 27.7 | Very low | 36.7 | Very low | 119 Ų | 119 | 143.3 Ų | 143.3 | 83% | 0.832 | 78% | 0.781 | S | S | * | * | | | trans | -142.2 | 119.4 | 141.8 | -171.1 | 0 | 0 | 0 | 0 | 106.9 | | |
| 82 | D | 31.5 | Very low | 35.8 | Very low | 144 Ų | 144 | 142.3 Ų | 142.3 | 77% | 0.77 | 78% | 0.784 | S | S | * | * | | | trans | -109.5 | 141.3 | 175.4 | -171.9 | -74.1 | 0 | 0 | 0 | 107.5 | | |
| 83 | S | 33.1 | Very low | 35.5 | Very low | 111 Ų | 111 | 147.3 Ų | 147.3 | 78% | 0.776 | 79% | 0.794 | S | S | * | * | | | trans | -160.4 | 121.2 | 175.1 | -76.6 | 0 | 0 | 0 | 0 | 111.1 | | |
| 84 | E | 30.2 | Very low | 34.7 | Very low | 177 Ų | 177 | 145.2 Ų | 145.2 | 83% | 0.827 | 79% | 0.788 | S | S | * | * | | | trans | -71.5 | 155.6 | 176.1 | -58.5 | -172.9 | 98.9 | 0 | 0 | 113 | | |
| 85 | A | 34.7 | Very low | 33.6 | Very low | 106 Ų | 106 | 145 Ų | 145 | 88% | 0.876 | 78% | 0.783 | S | S | * | * | | | trans | -142.9 | 75.8 | 165.1 | 0 | 0 | 0 | 0 | 0 | 110.2 | | |
| 86 | E | 32.6 | Very low | 33 | Very low | 152 Ų | 152 | 145.8 Ų | 145.8 | 71% | 0.71 | 78% | 0.784 | S | S | * | * | | | trans | -79.6 | 124.3 | 179.3 | -164.9 | -161.3 | 83.6 | 0 | 0 | 112 | | |
| 87 | R | 32 | Very low | 32.5 | Very low | 218 Ų | 218 | 147 Ų | 147 | 82% | 0.823 | 78% | 0.784 | S | S | * | * | | | | 172.5 | 139.6 | 118.4 | -93.4 | 174.1 | -154.6 | 137.8 | 6.9 | 116.9 | | |
| 88 | R | 27.6 | Very low | 32 | Very low | 242 Ų | 242 | 147.2 Ų | 147.2 | 91% | 0.913 | 78% | 0.783 | S | S | * | * | | | trans | 95.3 | 137 | 146.6 | -152.2 | 171.8 | -173.7 | 97.4 | 3.6 | 117.9 | | |
| 89 | P | 40.4 | Very low | 32.2 | Very low | 104 Ų | 104 | 147.5 Ų | 147.5 | 68% | 0.675 | 78% | 0.782 | S | S | * | * | | | trans | -127.2 | -172.5 | -164.2 | 40.2 | -21.4 | 0 | 0 | 0 | 116 | | |
| 90 | Q | 29.2 | Very low | 32.3 | Very low | 170 Ų | 170 | 151.7 Ų | 151.7 | 79% | 0.794 | 78% | 0.781 | S | S | * | * | | | trans | 83.2 | 154.2 | 169.8 | -57.9 | -66.1 | -22.2 | 0 | 0 | 117 | | |
| 91 | P | 38.8 | Very low | 32.3 | Very low | 118 Ų | 118 | 153.8 Ų | 153.8 | 77% | 0.766 | 78% | 0.784 | S | S | * | * | | | cis | -124.2 | -169.5 | -3.9 | 34.8 | -15 | 0 | 0 | 0 | 114.5 | | |
| 92 | A | 30.4 | Very low | 32.4 | Very low | 87 Ų | 87 | 155.9 Ų | 155.9 | 72% | 0.719 | 77% | 0.774 | S | S | * | * | | | trans | -96.2 | -166.8 | 179.9 | 0 | 0 | 0 | 0 | 0 | 114.3 | | |
| 93 | R | 33.8 | Very low | 32.2 | Very low | 232 Ų | 232 | 157.7 Ų | 157.7 | 88% | 0.875 | 78% | 0.776 | S | S | * | * | | | trans | 107 | 142.6 | 176.4 | -62.7 | 178.6 | -151.9 | -139.6 | 4.2 | 113.9 | | |
| 94 | D | 29.5 | Very low | 32.2 | Very low | 124 Ų | 124 | 156 Ų | 156 | 66% | 0.663 | 77% | 0.769 | S | S | * | * | | | cis | -152.2 | 158.8 | -1.3 | -131.1 | -53.9 | 0 | 0 | 0 | 115.1 | | |
| 95 | T | 28.4 | Very low | 32.2 | Very low | 98 Ų | 98 | 156 Ų | 156 | 60% | 0.601 | 77% | 0.768 | S | S | * | * | | | trans | 33.4 | 125.8 | 148.3 | -67.7 | 0 | 0 | 0 | 0 | 122.3 | | |
| 96 | F | 31.2 | Very low | 32 | Very low | 196 Ų | 196 | 156 Ų | 156 | 86% | 0.86 | 76% | 0.757 | S | S | * | * | | | | -149.8 | 160.6 | 117.3 | -110.1 | -72.9 | 0 | 0 | 0 | 112.6 | | |
| 97 | Q | 29.1 | Very low | 31.8 | Very low | 174 Ų | 174 | 160 Ų | 160 | 81% | 0.813 | 77% | 0.766 | S | S | * | * | | | trans | -72.8 | 156.4 | -150.5 | -66.4 | 173.6 | -12.6 | 0 | 0 | 117.5 | | |
| 98 | K | 32.5 | Very low | 31.8 | Very low | 187 Ų | 187 | 160.4 Ų | 160.4 | 81% | 0.813 | 77% | 0.768 | S | S | * | * | | | trans | -133 | 132 | 161.7 | 166.2 | 170.4 | 179.6 | 172.6 | 0 | 110.2 | | |
| 99 | P | 39.8 | Very low | 32.3 | Very low | 118 Ų | 118 | 154.1 Ų | 154.1 | 77% | 0.766 | 76% | 0.758 | S | S | * | * | | | trans | -79.4 | 152.5 | 156.8 | -20.3 | 35.2 | 0 | 0 | 0 | 113.1 | | |
| 100 | R | 33 | Very low | 31.9 | Very low | 192 Ų | 192 | 156.9 Ų | 156.9 | 73% | 0.725 | 76% | 0.762 | S | S | * | * | | | trans | -106.4 | 165.5 | -172.9 | -162.5 | -178.1 | -163.8 | 165.1 | 1.4 | 109.3 | | |
| 101 | D | 32.3 | Very low | 31.9 | Very low | 161 Ų | 161 | 154.8 Ų | 154.8 | 86% | 0.861 | 76% | 0.756 | S | S | * | * | | | trans | -171.5 | -176.8 | 133.2 | -90.4 | -22.2 | 0 | 0 | 0 | 111.2 | | |
| 102 | Y | 29.8 | Very low | 31.5 | Very low | 162 Ų | 162 | 154.5 Ų | 154.5 | 64% | 0.635 | 76% | 0.757 | S | S | * | * | | | | -143.8 | -178.1 | -128 | -152.2 | -98.9 | 0 | 0 | 0 | 115.7 | | |
| 103 | F | 28.3 | Very low | 31.7 | Very low | 183 Ų | 183 | 154.6 Ų | 154.6 | 80% | 0.803 | 76% | 0.758 | S | S | * | * | | | trans | 76.7 | 128 | -179.2 | -70.5 | -85.7 | 0 | 0 | 0 | 115.9 | | |
| 104 | A | 32.8 | Very low | 31.8 | Very low | 75 Ų | 75 | 152.7 Ų | 152.7 | 62% | 0.62 | 76% | 0.756 | S | S | * | * | | | cis | 81.1 | 140.6 | 19.3 | 0 | 0 | 0 | 0 | 0 | 114.4 | | |
| 105 | E | 30.5 | Very low | 32 | Very low | 176 Ų | 176 | 156 Ų | 156 | 82% | 0.822 | 77% | 0.765 | S | S | * | * | | | cis | -166.9 | -173.2 | -4.7 | -144.9 | -168.3 | 115 | 0 | 0 | 111.7 | | |
| 106 | V | 30.9 | Very low | 32.3 | Very low | 107 Ų | 107 | 160.9 Ų | 160.9 | 65% | 0.648 | 78% | 0.778 | S | S | * | * | | | trans | 84.6 | 124.2 | 147.2 | 164.7 | 0 | 0 | 0 | 0 | 123 | | |
| 107 | R | 27 | Very low | 32.3 | Very low | 235 Ų | 235 | 154.9 Ų | 154.9 | 89% | 0.887 | 77% | 0.771 | S | S | * | * | | | trans | 78.5 | 149.1 | 148 | -95.7 | 175.9 | 155.9 | 78 | 0.2 | 126 | | |
| 108 | R | 31.5 | Very low | 33.2 | Very low | 227 Ų | 227 | 152.5 Ų | 152.5 | 86% | 0.857 | 77% | 0.771 | S | S | * | * | | | trans | -110.1 | 177 | 158.6 | -69.5 | -79.1 | -172.1 | 107.5 | -2.1 | 107.3 | | |
| 109 | P | 38.6 | Very low | 33.8 | Very low | 111 Ų | 111 | 148.5 Ų | 148.5 | 72% | 0.721 | 76% | 0.764 | S | S | * | * | | | cis | -143.5 | -177.4 | 15.3 | 44.5 | -24.8 | 0 | 0 | 0 | 118.2 | | |
| 110 | Q | 32.7 | Very low | 33.9 | Very low | 162 Ų | 162 | 154.1 Ų | 154.1 | 76% | 0.757 | 77% | 0.772 | S | S | * | * | | | trans | 55.2 | 135.2 | 151.2 | -86.5 | -165 | -81.1 | 0 | 0 | 126.2 | | |
| 111 | D | 29.5 | Very low | 34.5 | Very low | 126 Ų | 126 | 150.9 Ų | 150.9 | 67% | 0.674 | 78% | 0.775 | S | S | * | * | | | trans | 92.3 | 135.5 | 133.8 | -71.9 | 12.5 | 0 | 0 | 0 | 126.3 | | |
| 112 | S | 30.2 | Very low | 34.7 | Very low | 111 Ų | 111 | 146.7 Ų | 146.7 | 78% | 0.776 | 77% | 0.771 | S | S | * | * | | | trans | 56.8 | 73.3 | 154.7 | 59.6 | 0 | 0 | 0 | 0 | 121.7 | | |
| 113 | A | 33.4 | Very low | 35.5 | Very low | 89 Ų | 89 | 150 Ų | 150 | 74% | 0.736 | 78% | 0.784 | S | S | * | * | | | | 76.5 | 155.7 | 115.3 | 0 | 0 | 0 | 0 | 0 | 123.4 | | |
| 114 | F | 37.6 | Very low | 36.3 | Very low | 192 Ų | 192 | 147 Ų | 147 | 84% | 0.842 | 78% | 0.782 | S | S | * | * | | | trans | 82.7 | 120.7 | 167.5 | -77.1 | -79.6 | 0 | 0 | 0 | 122 | | |
| 115 | F | 32.9 | Very low | 36.5 | Very low | 193 Ų | 193 | 152.5 Ų | 152.5 | 85% | 0.846 | 79% | 0.793 | S | S | * | * | S | Bend | trans | 83.4 | 136.1 | 161.9 | -100.9 | -89.1 | 0 | 0 | 0 | 122 | | |
| 116 | K | 34.1 | Very low | 37.7 | Very low | 201 Ų | 201 | 151.1 Ų | 151.1 | 87% | 0.874 | 79% | 0.79 | S | S | * | * | | | trans | 62.5 | 106.7 | -179 | -68.8 | -173.7 | 175.4 | 179.6 | 0 | 117.8 | | |
| 117 | G | 31.5 | Very low | 38.1 | Very low | 70 Ų | 70 | 154.6 Ų | 154.6 | 72% | 0.722 | 80% | 0.801 | S | S | * | * | | | trans | -88.2 | -157.4 | 145.5 | 0 | 0 | 0 | 0 | 0 | 110.8 | | |
| 118 | P | 48.4 | Very low | 39 | Very low | 125 Ų | 125 | 150.3 Ų | 150.3 | 81% | 0.812 | 80% | 0.795 | S | S | * | * | | | cis | -120.3 | -151.3 | 2.4 | 46.6 | -32.7 | 0 | 0 | 0 | 109.9 | | |
| 119 | P | 45.7 | Very low | 39.7 | Very low | 102 Ų | 102 | 145.4 Ų | 145.4 | 66% | 0.662 | 79% | 0.792 | S | S | * | * | | | cis | -126.7 | 148.4 | -21.4 | 36.5 | -21.2 | 0 | 0 | 0 | 114.3 | | |
| 120 | Y | 40.4 | Very low | 39.5 | Very low | 237 Ų | 237 | 146.8 Ų | 146.8 | 93% | 0.929 | 79% | 0.793 | S | S | * | * | | | trans | -164.6 | 117.9 | 151.6 | -117.8 | -74.8 | 0 | 0 | 0 | 110.7 | | |
| 121 | P | 45.3 | Very low | 39.8 | Very low | 123 Ų | 123 | 146.2 Ų | 146.2 | 80% | 0.799 | 80% | 0.795 | S | S | * | * | | | trans | -103.2 | 132.3 | 173.7 | 34.7 | -27.8 | 0 | 0 | 0 | 112.4 | | |
| 122 | G | 38.2 | Very low | 39.9 | Very low | 74 Ų | 74 | 145.2 Ų | 145.2 | 76% | 0.763 | 80% | 0.797 | S | S | * | * | | | trans | -106.4 | 168.7 | 167.9 | 0 | 0 | 0 | 0 | 0 | 112.5 | | |
| 123 | Y | 45.1 | Very low | 40 | Very low | 232 Ų | 232 | 145.3 Ų | 145.3 | 91% | 0.91 | 80% | 0.798 | S | S | * | * | | | trans | -61.8 | 149.2 | 170.8 | -90.1 | -95.9 | 0 | 0 | 0 | 111.8 | | |
| 124 | P | 45.6 | Very low | 40.6 | Very low | 118 Ų | 118 | 146 Ų | 146 | 77% | 0.766 | 80% | 0.796 | S | S | * | * | | | | -153 | 157.3 | 89.9 | 40 | -22 | 0 | 0 | 0 | 118.5 | | |
| 125 | F | 36.9 | Very low | 40.3 | Very low | 192 Ų | 192 | 146.8 Ų | 146.8 | 84% | 0.842 | 79% | 0.794 | S | S | * | * | | | trans | 56.9 | 162 | 143.8 | -148.1 | -110.2 | 0 | 0 | 0 | 122.6 | | |
| 126 | L | 56.5 | Low | 40.6 | Very low | 147 Ų | 147 | 144.3 Ų | 144.3 | 77% | 0.77 | 79% | 0.789 | S | S | * | * | | | trans | -102.4 | 140.9 | -178.3 | -71.2 | 159.2 | 0 | 0 | 0 | 111.1 | | |
| 127 | M | 39 | Very low | 40.4 | Very low | 180 Ų | 180 | 139 Ų | 139 | 89% | 0.887 | 78% | 0.777 | S | S | * | * | | | trans | -155.8 | 164.2 | 150.6 | -115.5 | 174.1 | 78.5 | 0 | 0 | 112.6 | | |
| 128 | I | 46.1 | Very low | 40.4 | Very low | 145 Ų | 145 | 143.1 Ų | 143.1 | 74% | 0.744 | 78% | 0.783 | S | S | * | * | | | trans | -93.2 | 150.2 | -162.4 | -60.9 | 156.9 | 0 | 0 | 0 | 111.3 | D130 | I128-D130 HydrophobicContact CG2-CB 4.14Š|
| 129 | P | 45.6 | Very low | 39.7 | Very low | 123 Ų | 123 | 140.8 Ų | 140.8 | 80% | 0.799 | 78% | 0.781 | S | S | * | * | | | trans | -113.2 | 118.4 | 143.1 | -0.1 | 20.8 | 0 | 0 | 0 | 111 | | |
| 130 | D | 34.9 | Very low | 39.8 | Very low | 140 Ų | 140 | 141.7 Ų | 141.7 | 75% | 0.749 | 79% | 0.787 | S | S | * | * | | | trans | -119.6 | 110 | 164.8 | 175.1 | 17.9 | 0 | 0 | 0 | 107.3 | I128 | I128-D130 HydrophobicContact CG2-CB 4.14Š|
| 131 | L | 38 | Very low | 39.4 | Very low | 150 Ų | 150 | 138.3 Ų | 138.3 | 79% | 0.785 | 78% | 0.784 | S | S | * | * | | | trans | -146.4 | 108.8 | 169.3 | -85 | 105.2 | 0 | 0 | 0 | 110 | | |
| 132 | S | 32.4 | Very low | 38.9 | Very low | 105 Ų | 105 | 137.6 Ų | 137.6 | 73% | 0.734 | 78% | 0.782 | S | S | * | * | | | trans | 52 | 111.3 | 146.6 | 59.2 | 0 | 0 | 0 | 0 | 120.1 | | |
| 133 | S | 32.2 | Very low | 39.6 | Very low | 114 Ų | 114 | 140.1 Ų | 140.1 | 80% | 0.797 | 79% | 0.785 | S | S | * | * | | | trans | -37.4 | 148.4 | 145.2 | -165.8 | 0 | 0 | 0 | 0 | 112.4 | | |
| 134 | P | 45.7 | Very low | 38.9 | Very low | 104 Ų | 104 | 133.1 Ų | 133.1 | 68% | 0.675 | 78% | 0.783 | S | S | * | * | | | cis | -152 | -164.8 | 43.3 | 40.4 | -16.7 | 0 | 0 | 0 | 118.4 | | |
| 135 | Y | 31.5 | Very low | 38.3 | Very low | 207 Ų | 207 | 131.3 Ų | 131.3 | 81% | 0.812 | 79% | 0.786 | S | S | * | * | | | trans | 86.2 | 103.3 | 161.6 | -96.1 | -104.8 | 0 | 0 | 0 | 122 | | |
| 136 | L | 39.8 | Very low | 38.2 | Very low | 141 Ų | 141 | 127.4 Ų | 127.4 | 74% | 0.738 | 79% | 0.789 | S | S | * | * | | | | 38.5 | 139.8 | 125.6 | -73 | 178 | 0 | 0 | 0 | 125 | | |
| 137 | S | 29.1 | Very low | 37.2 | Very low | 89 Ų | 89 | 132.2 Ų | 132.2 | 62% | 0.622 | 80% | 0.797 | S | S | * | * | | | trans | 91 | 121.4 | 132.4 | -75.2 | 0 | 0 | 0 | 0 | 123.2 | | |
| 138 | N | 32.3 | Very low | 37.3 | Very low | 158 Ų | 158 | 130 Ų | 130 | 85% | 0.845 | 79% | 0.794 | S | S | * | * | | | trans | 71.5 | 144.1 | 143 | -59.2 | -21.8 | 0 | 0 | 0 | 120.2 | | |
| 139 | G | 33.9 | Very low | 36.9 | Very low | 75 Ų | 75 | 134.4 Ų | 134.4 | 77% | 0.773 | 80% | 0.803 | S | S | * | * | | | trans | -96.1 | -139.6 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112.4 | | |
| 140 | P | 48.3 | Very low | 36.5 | Very low | 121 Ų | 121 | 136.6 Ų | 136.6 | 79% | 0.786 | 81% | 0.807 | S | S | * | * | | | cis | -120.7 | -177.2 | 8 | 42.4 | -30.2 | 0 | 0 | 0 | 113.7 | | |
| 141 | L | 30.7 | Very low | 36.7 | Very low | 166 Ų | 166 | 137 Ų | 137 | 87% | 0.869 | 80% | 0.804 | S | S | * | * | | | trans | 174.8 | 162 | 130.7 | -94 | 170.5 | 0 | 0 | 0 | 112 | | |
| 142 | S | 35.3 | Very low | 36.5 | Very low | 108 Ų | 108 | 138.5 Ų | 138.5 | 76% | 0.755 | 81% | 0.809 | S | S | * | * | | | trans | -169.4 | 170.8 | -177.5 | -94.9 | 0 | 0 | 0 | 0 | 110.1 | | |
| 143 | P | 53.8 | Low | 36.5 | Very low | 128 Ų | 128 | 141.5 Ų | 141.5 | 83% | 0.831 | 81% | 0.809 | S | S | * | * | | | cis | -130.7 | -179 | -19.7 | 37.3 | -21 | 0 | 0 | 0 | 113 | | |
| 144 | G | 29.5 | Very low | 36.5 | Very low | 84 Ų | 84 | 147.3 Ų | 147.3 | 87% | 0.866 | 81% | 0.814 | S | S | * | * | | | trans | 170.6 | 138.5 | 160.9 | 0 | 0 | 0 | 0 | 0 | 115.8 | | |
| 145 | G | 33.3 | Very low | 36.7 | Very low | 80 Ų | 80 | 148.4 Ų | 148.4 | 83% | 0.825 | 82% | 0.821 | S | S | * | * | | | trans | 122.4 | 64.7 | 168.1 | 0 | 0 | 0 | 0 | 0 | 116.7 | | |
| 146 | A | 35.1 | Very low | 37 | Very low | 110 Ų | 110 | 146.6 Ų | 146.6 | 91% | 0.909 | 82% | 0.824 | S | S | * | * | | | trans | -72.2 | 153.3 | 173.5 | 0 | 0 | 0 | 0 | 0 | 112.7 | | |
| 147 | R | 35.1 | Very low | 36.9 | Very low | 249 Ų | 249 | 147.2 Ų | 147.2 | 94% | 0.94 | 83% | 0.828 | S | S | * | * | | | trans | -132.3 | 133.2 | 174.3 | -141.6 | 174.6 | -171.3 | 173.7 | 3.6 | 110.7 | | |
| 148 | T | 40.3 | Very low | 37.2 | Very low | 132 Ų | 132 | 150.3 Ų | 150.3 | 81% | 0.81 | 84% | 0.837 | S | S | * | * | | | trans | -84.4 | 149 | -170.1 | 45.7 | 0 | 0 | 0 | 0 | 113.4 | | |
| 149 | Y | 38.1 | Very low | 37.6 | Very low | 238 Ų | 238 | 148.3 Ų | 148.3 | 93% | 0.933 | 83% | 0.831 | S | S | * | * | | | trans | -146.9 | 122.5 | 161.3 | -118 | -86.3 | 0 | 0 | 0 | 110.2 | | |
| 150 | L | 37.2 | Very low | 37.9 | Very low | 169 Ų | 169 | 150.7 Ų | 150.7 | 89% | 0.885 | 83% | 0.832 | S | S | * | * | P | Polyproline II helix | trans | -87.8 | 131.2 | 176.6 | -89.6 | 137.6 | 0 | 0 | 0 | 110.7 | | |
| 151 | Q | 38.3 | Very low | 37.1 | Very low | 150 Ų | 150 | 150.4 Ų | 150.4 | 70% | 0.701 | 83% | 0.833 | S | S | * | * | P | Polyproline II helix | trans | -92.5 | 124.8 | 167.5 | 178.3 | -176.6 | 105.6 | 0 | 0 | 109.4 | | |
| 152 | M | 34.3 | Very low | 37.3 | Very low | 181 Ų | 181 | 147.6 Ų | 147.6 | 89% | 0.892 | 83% | 0.827 | S | S | * | * | P | Polyproline II helix | trans | -84.8 | 134.2 | 162 | -71 | -176.1 | 172.6 | 0 | 0 | 109.9 | | |
| 153 | K | 33.2 | Very low | 37.3 | Very low | 168 Ų | 168 | 147.4 Ų | 147.4 | 73% | 0.73 | 83% | 0.832 | S | S | * | * | | | trans | -118 | 135.4 | 176.7 | -175.7 | 103.4 | 69.2 | 175 | 0 | 108.8 | | |
| 154 | W | 32.6 | Very low | 36.4 | Very low | 236 Ų | 236 | 147.4 Ų | 147.4 | 89% | 0.894 | 83% | 0.83 | S | S | * | * | | | trans | -89.4 | 141.7 | 172.4 | -66.6 | 95.6 | 0 | 0 | 0 | 110.6 | | |
| 155 | P | 48.6 | Very low | 36.8 | Very low | 126 Ų | 126 | 150.6 Ų | 150.6 | 82% | 0.818 | 83% | 0.832 | S | S | * | * | | | trans | -69.3 | 147.3 | 167.8 | -15.4 | 30.5 | 0 | 0 | 0 | 111.6 | | |
| 156 | L | 38.7 | Very low | 36.9 | Very low | 170 Ų | 170 | 155.8 Ų | 155.8 | 89% | 0.89 | 83% | 0.832 | S | S | * | * | | | trans | -105.2 | 153.2 | 167.6 | -175.4 | 61 | 0 | 0 | 0 | 108.7 | | |
| 157 | L | 38.4 | Very low | 36.7 | Very low | 154 Ų | 154 | 157.3 Ų | 157.3 | 81% | 0.806 | 83% | 0.825 | S | S | * | * | | | trans | -66.6 | 149.3 | 171.8 | -91.9 | 63.9 | 0 | 0 | 0 | 110.8 | | |
| 158 | D | 34.8 | Very low | 36.7 | Very low | 153 Ų | 153 | 151.5 Ų | 151.5 | 82% | 0.818 | 82% | 0.818 | S | S | * | * | | | trans | -130.7 | 149.8 | 163.8 | -150.3 | -43.7 | 0 | 0 | 0 | 109.3 | | |
| 159 | V | 39.9 | Very low | 36.4 | Very low | 117 Ų | 117 | 156.6 Ų | 156.6 | 71% | 0.709 | 82% | 0.822 | S | S | * | * | | | trans | -148.2 | 110.8 | -173.1 | 176.8 | 0 | 0 | 0 | 0 | 110.1 | | |
| 160 | P | 40.8 | Very low | 36.3 | Very low | 124 Ų | 124 | 150.3 Ų | 150.3 | 81% | 0.805 | 81% | 0.813 | S | S | * | * | | | trans | -92.4 | 149.7 | 161.2 | 34.3 | -30.1 | 0 | 0 | 0 | 111.3 | | |
| 161 | S | 31.4 | Very low | 36.8 | Very low | 116 Ų | 116 | 148.4 Ų | 148.4 | 81% | 0.811 | 81% | 0.811 | S | S | * | * | | | trans | -121.4 | 154.5 | 177.3 | -175.6 | 0 | 0 | 0 | 0 | 111 | | |
| 162 | S | 34.6 | Very low | 36.7 | Very low | 107 Ų | 107 | 146.5 Ų | 146.5 | 75% | 0.748 | 81% | 0.814 | S | S | * | * | | | trans | 61.5 | 111.4 | 165.5 | -166.5 | 0 | 0 | 0 | 0 | 118.6 | | |
| 163 | A | 34.9 | Very low | 37.3 | Very low | 104 Ų | 104 | 143.8 Ų | 143.8 | 86% | 0.86 | 81% | 0.81 | S | S | * | * | | | trans | -145.5 | 133.1 | 149.3 | 0 | 0 | 0 | 0 | 0 | 109.1 | | |
| 164 | T | 35.2 | Very low | 37.3 | Very low | 128 Ų | 128 | 140 Ų | 140 | 79% | 0.785 | 81% | 0.81 | S | S | * | * | | | trans | -114.9 | 117.8 | -170 | 47.1 | 0 | 0 | 0 | 0 | 112.7 | | |
| 165 | V | 38.3 | Very low | 37.5 | Very low | 150 Ų | 150 | 136.9 Ų | 136.9 | 91% | 0.909 | 81% | 0.805 | S | S | * | * | | | trans | -137.2 | 152.6 | 163.8 | -174.3 | 0 | 0 | 0 | 0 | 108.5 | | |
| 166 | K | 34.4 | Very low | 37 | Very low | 189 Ų | 189 | 139 Ų | 139 | 82% | 0.822 | 81% | 0.808 | S | S | * | * | | | trans | -104.3 | 154.4 | -162.1 | -55.2 | 174.5 | -179.6 | 178.1 | 0 | 113.3 | | |
| 167 | D | 32.5 | Very low | 36.8 | Very low | 143 Ų | 143 | 133.4 Ų | 133.4 | 77% | 0.765 | 78% | 0.784 | S | S | * | * | | | trans | 48.5 | 125.7 | 148.4 | -96.8 | -69.6 | 0 | 0 | 0 | 119.7 | | |
| 168 | T | 34.2 | Very low | 36.7 | Very low | 127 Ų | 127 | 133.8 Ų | 133.8 | 78% | 0.779 | 79% | 0.787 | S | S | * | * | | | | -166.2 | 159.5 | 63.4 | 24.1 | 0 | 0 | 0 | 0 | 113.7 | | |
| 169 | R | 33.3 | Very low | 36.9 | Very low | 238 Ų | 238 | 134.7 Ų | 134.7 | 90% | 0.898 | 78% | 0.783 | S | S | * | * | | | trans | 76.9 | 104.4 | 152.5 | -162.8 | 172.4 | -169.6 | 173.6 | 4.3 | 119.2 | | |
| 170 | S | 37.2 | Very low | 36.7 | Very low | 107 Ų | 107 | 135.2 Ų | 135.2 | 75% | 0.748 | 79% | 0.786 | S | S | * | * | | | trans | -60.4 | 160.5 | 162.6 | -28 | 0 | 0 | 0 | 0 | 112.9 | | |
| 171 | P | 48 | Very low | 37 | Very low | 129 Ų | 129 | 134.6 Ų | 134.6 | 84% | 0.838 | 78% | 0.783 | S | S | * | * | | | | -135.4 | 176.5 | 78 | 38.7 | -25.8 | 0 | 0 | 0 | 115.2 | | |
| 172 | S | 34.9 | Very low | 37.3 | Very low | 110 Ų | 110 | 135.5 Ų | 135.5 | 77% | 0.769 | 78% | 0.783 | S | S | * | * | | | trans | -106.8 | -169 | -178.3 | -149.8 | 0 | 0 | 0 | 0 | 111.3 | | |
| 173 | P | 48.2 | Very low | 37.6 | Very low | 123 Ų | 123 | 136.2 Ų | 136.2 | 80% | 0.799 | 78% | 0.782 | S | S | * | * | | | | -115.2 | 157.8 | -109 | 35.7 | -19.7 | 0 | 0 | 0 | 114.7 | | |
| 174 | A | 31.8 | Very low | 37.6 | Very low | 90 Ų | 90 | 139.8 Ų | 139.8 | 74% | 0.744 | 78% | 0.781 | S | S | * | * | | | trans | -131.7 | 99.2 | -180 | 0 | 0 | 0 | 0 | 0 | 113.7 | L176 | A174-L176 PolarHBondContact O-N 3.31Š|
| 175 | H | 36.4 | Very low | 37.6 | Very low | 169 Ų | 169 | 141.5 Ų | 141.5 | 78% | 0.782 | 78% | 0.78 | S | S | * | * | | | trans | -12.3 | 108.4 | 156.3 | 176.1 | -98.9 | 0 | 0 | 0 | 117.3 | | |
| 176 | L | 38.3 | Very low | 37.7 | Very low | 170 Ų | 170 | 139.7 Ų | 139.7 | 89% | 0.89 | 77% | 0.772 | S | S | * | * | | | trans | -95.3 | 94.4 | 168.4 | -68.5 | -178.2 | 0 | 0 | 0 | 111.1 | A174 N178 | A174-L176 PolarHBondContact O-N 3.31Å; L176-N178 PolarHBondContact O-N 3.36Å |
| 177 | S | 35.8 | Very low | 37.7 | Very low | 54 Ų | 54 | 139.2 Ų | 139.2 | 38% | 0.378 | 77% | 0.772 | S | S | . | * | | | trans | -60.1 | 129.8 | 172.6 | 128.8 | 0 | 0 | 0 | 0 | 110.8 | K179 | S177-K179 PolarHBondContact OG-NZ 3.16Š|
| 178 | N | 35 | Very low | 37.9 | Very low | 162 Ų | 162 | 140.8 Ų | 140.8 | 87% | 0.866 | 77% | 0.774 | S | S | * | * | | | trans | -57.2 | 138.7 | 160.6 | -99.9 | -75.6 | 0 | 0 | 0 | 109.1 | L176 | L176-N178 PolarHBondContact O-N 3.36Š|
| 179 | K | 38.8 | Very low | 37.9 | Very low | 172 Ų | 172 | 142.6 Ų | 142.6 | 75% | 0.748 | 78% | 0.776 | S | S | * | * | | | trans | -126.8 | 108.3 | 176.8 | -65.4 | -170.2 | -173.8 | -54.4 | 0 | 109.3 | S177 | S177-K179 PolarHBondContact OG-NZ 3.16Š|
| 180 | V | 37.1 | Very low | 38.3 | Very low | 127 Ų | 127 | 138.7 Ų | 138.7 | 77% | 0.77 | 77% | 0.767 | S | S | * | * | P | Polyproline II helix | trans | -73.8 | 134.1 | 173.8 | 179.3 | 0 | 0 | 0 | 0 | 108.7 | V182 | V180-V182 PolarHBondContact O-N 2.81Š|
| 181 | P | 46.7 | Very low | 38.7 | Very low | 112 Ų | 112 | 138.4 Ų | 138.4 | 73% | 0.727 | 76% | 0.763 | S | S | * | * | P | Polyproline II helix | trans | -69.7 | 123.1 | 171.3 | 28.4 | -33 | 0 | 0 | 0 | 110.2 | | |
| 182 | V | 38.7 | Very low | 38.3 | Very low | 135 Ų | 135 | 140.5 Ų | 140.5 | 82% | 0.818 | 77% | 0.766 | S | S | * | * | P | Polyproline II helix | trans | -74.3 | 128.8 | 174.4 | 171.4 | 0 | 0 | 0 | 0 | 109.8 | V180 | V180-V182 PolarHBondContact O-N 2.81Š|
| 183 | V | 40 | Very low | 38.4 | Very low | 121 Ų | 121 | 140.5 Ų | 140.5 | 73% | 0.733 | 76% | 0.762 | S | S | * | * | | | trans | -125.1 | 136.3 | 162 | 175.8 | 0 | 0 | 0 | 0 | 108.1 | | |
| 184 | Q | 34.9 | Very low | 38.5 | Very low | 179 Ų | 179 | 140.7 Ų | 140.7 | 84% | 0.836 | 76% | 0.763 | S | S | * | * | | | trans | -107.8 | 128.2 | -162.1 | -173.6 | 179 | 30.4 | 0 | 0 | 111 | | |
| 185 | H | 35.1 | Very low | 38.9 | Very low | 165 Ų | 165 | 143.5 Ų | 143.5 | 76% | 0.764 | 77% | 0.765 | S | S | * | * | | | trans | -133.1 | 123.8 | 175.6 | -72.7 | -103 | 0 | 0 | 0 | 110.4 | | |
| 186 | P | 41.2 | Very low | 39 | Very low | 112 Ų | 112 | 143.3 Ų | 143.3 | 73% | 0.727 | 77% | 0.768 | S | S | * | * | | | trans | -87.8 | 119.5 | -178.5 | 31.7 | -32.3 | 0 | 0 | 0 | 114.1 | | |
| 187 | H | 34.6 | Very low | 38.8 | Very low | 178 Ų | 178 | 141.4 Ų | 141.4 | 82% | 0.824 | 76% | 0.763 | S | S | * | * | | | trans | 29.8 | 124.6 | 147.7 | -51.5 | -78.9 | 0 | 0 | 0 | 122 | | |
| 188 | H | 35.5 | Very low | 38.8 | Very low | 176 Ų | 176 | 148.5 Ų | 148.5 | 82% | 0.815 | 78% | 0.783 | S | S | * | * | | | | -167.6 | 127.6 | 117 | 43.4 | -82.2 | 0 | 0 | 0 | 113.4 | | |
| 189 | M | 35.3 | Very low | 38.5 | Very low | 165 Ų | 165 | 146.4 Ų | 146.4 | 81% | 0.813 | 78% | 0.782 | S | S | * | * | | | trans | 44.9 | 137.6 | 148.3 | -49.8 | -47.1 | -87 | 0 | 0 | 121.6 | | |
| 190 | H | 40.8 | Very low | 38.2 | Very low | 156 Ų | 156 | 143.9 Ų | 143.9 | 72% | 0.722 | 78% | 0.776 | S | S | * | * | | | cis | -166.5 | 152.4 | -11.9 | -160.9 | -101.5 | 0 | 0 | 0 | 109.6 | | |
| 191 | P | 45.3 | Very low | 38.1 | Very low | 101 Ų | 101 | 143 Ų | 143 | 66% | 0.656 | 77% | 0.767 | S | S | * | * | | | trans | -98.1 | 143.4 | -174.4 | 36.1 | -34.2 | 0 | 0 | 0 | 115.1 | | |
| 192 | L | 40.8 | Very low | 38 | Very low | 173 Ų | 173 | 145.2 Ų | 145.2 | 91% | 0.906 | 77% | 0.767 | S | S | * | * | | | trans | -151.2 | 157.1 | 163 | -85.3 | -174.4 | 0 | 0 | 0 | 113.2 | | |
| 193 | T | 35.2 | Very low | 37.6 | Very low | 110 Ų | 110 | 148.8 Ų | 148.8 | 68% | 0.675 | 77% | 0.772 | S | S | * | * | | | trans | -94.7 | 153.8 | -178.6 | 42.7 | 0 | 0 | 0 | 0 | 113.5 | L195 | T193-L195 PolarHBondContact O-N 2.73Š|
| 194 | P | 51 | Low | 37.4 | Very low | 128 Ų | 128 | 148.3 Ų | 148.3 | 83% | 0.831 | 78% | 0.775 | S | S | * | * | | | trans | -87.3 | 98.4 | 167.4 | 33.5 | -30.6 | 0 | 0 | 0 | 111.4 | | |
| 195 | L | 41.5 | Very low | 37.7 | Very low | 149 Ų | 149 | 146 Ų | 146 | 78% | 0.78 | 78% | 0.775 | S | S | * | * | | | trans | -107.1 | 119.2 | 154.9 | -85.1 | 82.6 | 0 | 0 | 0 | 108.5 | T193 | T193-L195 PolarHBondContact O-N 2.73Š|
| 196 | I | 37.6 | Very low | 37.5 | Very low | 165 Ų | 165 | 141.6 Ų | 141.6 | 85% | 0.846 | 77% | 0.774 | S | S | * | * | | | trans | -138.5 | 119.1 | 161.5 | -60.7 | -177.5 | 0 | 0 | 0 | 108.3 | | |
| 197 | T | 33.7 | Very low | 37.4 | Very low | 130 Ų | 130 | 141.7 Ų | 141.7 | 80% | 0.798 | 78% | 0.778 | S | S | * | * | | | trans | -139.3 | 112.1 | 163.5 | -67.5 | 0 | 0 | 0 | 0 | 107.1 | | |
| 198 | Y | 35.6 | Very low | 37.6 | Very low | 202 Ų | 202 | 138.6 Ų | 138.6 | 79% | 0.792 | 77% | 0.773 | S | S | * | * | | | trans | 48.3 | 127 | 165.5 | -83 | -95 | 0 | 0 | 0 | 121 | | |
| 199 | S | 28.7 | Very low | 37.8 | Very low | 119 Ų | 119 | 136.6 Ų | 136.6 | 83% | 0.832 | 78% | 0.776 | S | S | * | * | | | | -148.8 | 151.7 | 128.2 | -149.3 | 0 | 0 | 0 | 0 | 111.2 | | |
| 200 | N | 32.3 | Very low | 37.9 | Very low | 118 Ų | 118 | 135.3 Ų | 135.3 | 63% | 0.631 | 78% | 0.777 | S | S | * | * | | | trans | -84.1 | 173 | 176.3 | -93.7 | 29 | 0 | 0 | 0 | 110.6 | | |
| 201 | D | 36.5 | Very low | 37.7 | Very low | 109 Ų | 109 | 135.8 Ų | 135.8 | 58% | 0.583 | 78% | 0.78 | S | S | * | * | | | cis | -154.2 | 175.9 | 9.9 | -137 | -47.6 | 0 | 0 | 0 | 113 | | |
| 202 | H | 43 | Very low | 37.3 | Very low | 158 Ų | 158 | 137.8 Ų | 137.8 | 73% | 0.731 | 78% | 0.784 | S | S | * | * | | | trans | 55.2 | 105.3 | 156 | -60.8 | -30.7 | 0 | 0 | 0 | 121.4 | | |
| 203 | F | 30.9 | Very low | 37 | Very low | 210 Ų | 210 | 135.1 Ų | 135.1 | 92% | 0.921 | 78% | 0.78 | S | S | * | * | | | | -157.6 | 158.1 | 116.7 | -120.2 | -83.6 | 0 | 0 | 0 | 110.5 | | |
| 204 | S | 34.9 | Very low | 37.5 | Very low | 112 Ų | 112 | 135.4 Ų | 135.4 | 78% | 0.783 | 78% | 0.784 | S | S | * | * | | | trans | -72.8 | 139 | -160.3 | -46.7 | 0 | 0 | 0 | 0 | 116.7 | | |
| 205 | P | 41.8 | Very low | 37 | Very low | 130 Ų | 130 | 138.8 Ų | 138.8 | 84% | 0.844 | 79% | 0.788 | S | S | * | * | | | trans | -88.3 | 125.7 | 168.7 | 33.3 | -31.5 | 0 | 0 | 0 | 112.7 | | |
| 206 | G | 31.8 | Very low | 37.7 | Very low | 73 Ų | 73 | 138.3 Ų | 138.3 | 75% | 0.753 | 79% | 0.785 | S | S | * | * | | | trans | -93.7 | 112 | 173 | 0 | 0 | 0 | 0 | 0 | 113.2 | | |
| 207 | S | 37.8 | Very low | 38.1 | Very low | 114 Ų | 114 | 135.4 Ų | 135.4 | 80% | 0.797 | 77% | 0.771 | S | S | * | * | | | trans | 5.1 | 115.9 | 161.1 | 59 | 0 | 0 | 0 | 0 | 120.4 | | |
| 208 | P | 39.6 | Very low | 39 | Very low | 113 Ų | 113 | 135.7 Ų | 135.7 | 73% | 0.734 | 78% | 0.775 | S | S | * | * | P | Polyproline II helix | trans | -79.6 | 162.7 | 135.8 | 34.6 | -31.8 | 0 | 0 | 0 | 111 | | |
| 209 | P | 39.4 | Very low | 39.9 | Very low | 133 Ų | 133 | 134.9 Ų | 134.9 | 86% | 0.864 | 78% | 0.776 | S | S | * | * | P | Polyproline II helix | trans | -79.7 | 148.2 | -168.6 | 31.2 | -36.3 | 0 | 0 | 0 | 115 | | |
| 210 | T | 36.7 | Very low | 41.4 | Very low | 138 Ų | 138 | 133.9 Ų | 133.9 | 85% | 0.847 | 77% | 0.765 | S | S | * | * | P | Polyproline II helix | trans | -93 | 126.8 | 179.3 | 49.1 | 0 | 0 | 0 | 0 | 113.1 | | |
| 211 | H | 38.1 | Very low | 42.4 | Very low | 167 Ų | 167 | 132 Ų | 132 | 77% | 0.773 | 77% | 0.774 | S | S | * | * | | | trans | -153.1 | 120.2 | 151.1 | -154.5 | -124.9 | 0 | 0 | 0 | 111.7 | | |
| 212 | L | 36.8 | Very low | 43.6 | Very low | 143 Ų | 143 | 133.6 Ų | 133.6 | 75% | 0.749 | 78% | 0.781 | S | S | * | * | | | trans | 54.3 | 96.1 | 167.1 | -51 | -179.4 | 0 | 0 | 0 | 118.1 | | |
| 213 | S | 34.8 | Very low | 43.4 | Very low | 117 Ų | 117 | 131.8 Ų | 131.8 | 82% | 0.818 | 78% | 0.783 | S | S | * | * | P | Polyproline II helix | trans | -103.9 | 142.1 | 141.4 | -69.5 | 0 | 0 | 0 | 0 | 108.4 | | |
| 214 | P | 44.3 | Very low | 44 | Very low | 115 Ų | 115 | 132.5 Ų | 132.5 | 75% | 0.747 | 78% | 0.779 | S | S | * | * | P | Polyproline II helix | trans | -70.7 | 141.2 | 176.9 | 29.5 | -34 | 0 | 0 | 0 | 111.4 | | |
| 215 | E | 40.3 | Very low | 44.4 | Very low | 199 Ų | 199 | 132.2 Ų | 132.2 | 93% | 0.93 | 78% | 0.775 | S | S | * | * | P | Polyproline II helix | trans | -72.3 | 144.1 | 179.2 | -167.3 | 173.7 | 163.3 | 0 | 0 | 111.5 | | |
| 216 | I | 56 | Low | 44.3 | Very low | 140 Ų | 140 | 132.2 Ų | 132.2 | 72% | 0.718 | 78% | 0.775 | S | S | * | * | | | trans | -120 | 109.1 | -174.3 | -49.2 | 175.4 | 0 | 0 | 0 | 109.2 | | |
| 217 | D | 47.6 | Very low | 44.6 | Very low | 104 Ų | 104 | 136.3 Ų | 136.3 | 56% | 0.556 | 77% | 0.774 | S | S | * | * | | | trans | -68.3 | 121.5 | 177 | 176.2 | -5 | 0 | 0 | 0 | 110.8 | K219 | D217-K219 PolarHBondContact O-N 2.64Å; D217-K219 PolarHBondContact OD1-N 3.45Å |
| 218 | P | 52 | Low | 44.6 | Very low | 135 Ų | 135 | 136.3 Ų | 136.3 | 88% | 0.877 | 77% | 0.771 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -70.3 | 9.6 | -173.2 | 29.6 | -36.9 | 0 | 0 | 0 | 116 | | |
| 219 | K | 54.5 | Low | 44.3 | Very low | 186 Ų | 186 | 135.6 Ų | 135.6 | 81% | 0.809 | 77% | 0.769 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -112.8 | -14 | 178.9 | -157.3 | 153.4 | -172.4 | 171.8 | 0 | 117.3 | D217 | D217-K219 PolarHBondContact O-N 2.64Å; D217-K219 PolarHBondContact OD1-N 3.45Å |
| 220 | T | 61 | Low | 44.1 | Very low | 97 Ų | 97 | 137 Ų | 137 | 60% | 0.595 | 76% | 0.764 | S | S | * | * | S | Bend | trans | -143.4 | 101.6 | 169 | 50.4 | 0 | 0 | 0 | 0 | 110.8 | I222 | T220-I222 VanDerWaalsContact C-N 3.26Å; T220-I222 PolarHBondContact O-N 3.45Å |
| 221 | G | 52.7 | Low | 44.1 | Very low | 80 Ų | 80 | 139 Ų | 139 | 83% | 0.825 | 77% | 0.769 | S | S | * | * | | | trans | -74.1 | 62.1 | -172.4 | 0 | 0 | 0 | 0 | 0 | 115.3 | | |
| 222 | I | 61.5 | Low | 43.9 | Very low | 141 Ų | 141 | 136 Ų | 136 | 72% | 0.723 | 77% | 0.767 | S | S | * | * | | | trans | -133.5 | 126.3 | 174.3 | -55.5 | 178.1 | 0 | 0 | 0 | 108.2 | T220 R224 | T220-I222 VanDerWaalsContact C-N 3.26Å; T220-I222 PolarHBondContact O-N 3.45Å; I222-R224 PolarHBondContact O-N 2.94Å |
| 223 | P | 39.9 | Very low | 44.6 | Very low | 120 Ų | 120 | 134 Ų | 134 | 78% | 0.779 | 76% | 0.762 | S | S | * | * | P | Polyproline II helix | trans | -68.8 | 132.2 | 179.3 | 28.5 | -34.2 | 0 | 0 | 0 | 111.3 | | |
| 224 | R | 42.3 | Very low | 44.4 | Very low | 225 Ų | 225 | 138.8 Ų | 138.8 | 85% | 0.849 | 76% | 0.764 | S | S | * | * | P | Polyproline II helix | trans | -87.2 | 139.7 | 179.9 | -147.8 | 179.6 | -160.8 | 106.1 | -0.9 | 110.4 | I222 | I222-R224 PolarHBondContact O-N 2.94Š|
| 225 | P | 43 | Very low | 44 | Very low | 107 Ų | 107 | 143.4 Ų | 143.4 | 70% | 0.695 | 77% | 0.768 | S | S | * | * | P | Polyproline II helix | trans | -60.2 | 146.8 | 172.3 | -23.8 | 34.4 | 0 | 0 | 0 | 112 | H227 | P225-H227 PolarHBondContact O-N 3.39Š|
| 226 | P | 41.3 | Very low | 44.7 | Very low | 129 Ų | 129 | 139 Ų | 139 | 84% | 0.838 | 76% | 0.757 | S | S | * | * | | | trans | -70.4 | 113.7 | -178.4 | 28.2 | -34.1 | 0 | 0 | 0 | 111.2 | | |
| 227 | H | 36.6 | Very low | 43.9 | Very low | 160 Ų | 160 | 140.9 Ų | 140.9 | 74% | 0.741 | 77% | 0.767 | S | S | * | * | | | trans | -87.6 | 131.3 | 170.7 | -163.1 | -74.5 | 0 | 0 | 0 | 109.5 | P225 | P225-H227 PolarHBondContact O-N 3.39Š|
| 228 | P | 37.2 | Very low | 43.2 | Very low | 113 Ų | 113 | 141 Ų | 141 | 73% | 0.734 | 78% | 0.776 | S | S | * | * | | | trans | -72.8 | 136.4 | 170 | 30.5 | -32.9 | 0 | 0 | 0 | 110 | | |
| 229 | S | 34.6 | Very low | 43 | Very low | 99 Ų | 99 | 140.6 Ų | 140.6 | 69% | 0.692 | 77% | 0.773 | S | S | * | * | | | trans | -130.2 | 164.5 | 179.7 | -65.4 | 0 | 0 | 0 | 0 | 110.9 | | |
| 230 | E | 34.8 | Very low | 42 | Very low | 162 Ų | 162 | 135.6 Ų | 135.6 | 76% | 0.757 | 78% | 0.775 | S | S | * | * | | | trans | 74.1 | 65.1 | 178.3 | -59.1 | -58 | 112.3 | 0 | 0 | 117.5 | | |
| 231 | L | 37.3 | Very low | 40.9 | Very low | 181 Ų | 181 | 136.2 Ų | 136.2 | 95% | 0.948 | 79% | 0.79 | S | S | * | * | | | | -131.8 | 146.5 | 120.3 | -77.2 | -174.9 | 0 | 0 | 0 | 109.4 | | |
| 232 | S | 33 | Very low | 40.3 | Very low | 103 Ų | 103 | 139.8 Ų | 139.8 | 72% | 0.72 | 80% | 0.795 | S | S | * | * | | | trans | -109.9 | -177.7 | -160.3 | -133.6 | 0 | 0 | 0 | 0 | 112.7 | | |
| 233 | P | 52.1 | Low | 39.1 | Very low | 101 Ų | 101 | 136 Ų | 136 | 66% | 0.656 | 79% | 0.791 | S | S | * | * | | | | -127.2 | 135.5 | -115 | 33.9 | -14.3 | 0 | 0 | 0 | 115.6 | | |
| 234 | Y | 31.4 | Very low | 38.9 | Very low | 218 Ų | 218 | 139.3 Ų | 139.3 | 86% | 0.855 | 80% | 0.796 | S | S | * | * | | | trans | -138.2 | 97.8 | 170 | -98.7 | -90.2 | 0 | 0 | 0 | 114.5 | | |
| 235 | Y | 34 | Very low | 38.7 | Very low | 212 Ų | 212 | 134.3 Ų | 134.3 | 83% | 0.831 | 79% | 0.785 | S | S | * | * | | | trans | 66.9 | 149.9 | 154 | -78.4 | -101.2 | 0 | 0 | 0 | 121.2 | | |
| 236 | P | 56.7 | Low | 38.6 | Very low | 107 Ų | 107 | 135 Ų | 135 | 70% | 0.695 | 79% | 0.79 | S | S | * | * | | | trans | -107.8 | 171.2 | -173.9 | 42.1 | -34.7 | 0 | 0 | 0 | 113.8 | | |
| 237 | L | 37.6 | Very low | 38.3 | Very low | 178 Ų | 178 | 136.3 Ų | 136.3 | 93% | 0.932 | 78% | 0.784 | S | S | * | * | | | trans | -156.8 | 158.9 | 142.7 | -102.4 | 178.6 | 0 | 0 | 0 | 110.2 | | |
| 238 | S | 34.3 | Very low | 39.1 | Very low | 106 Ų | 106 | 134.8 Ų | 134.8 | 74% | 0.741 | 79% | 0.788 | S | S | * | * | | | trans | -119.2 | -160.5 | -169.1 | -53.6 | 0 | 0 | 0 | 0 | 112.1 | | |
| 239 | P | 46.8 | Very low | 39.2 | Very low | 127 Ų | 127 | 137 Ų | 137 | 83% | 0.825 | 79% | 0.793 | S | S | * | * | | | | -129.9 | 159 | -93.5 | 39.2 | -23.2 | 0 | 0 | 0 | 116.4 | | |
| 240 | G | 34.2 | Very low | 39.3 | Very low | 82 Ų | 82 | 136 Ų | 136 | 85% | 0.845 | 80% | 0.798 | S | S | * | * | | | trans | 102.2 | 138.5 | 143.3 | 0 | 0 | 0 | 0 | 0 | 119.2 | | |
| 241 | A | 37.2 | Very low | 39.3 | Very low | 110 Ų | 110 | 138.8 Ų | 138.8 | 91% | 0.909 | 80% | 0.802 | S | S | * | * | | | trans | -162.3 | 157.8 | 152.6 | 0 | 0 | 0 | 0 | 0 | 108.5 | | |
| 242 | V | 39.7 | Very low | 39.4 | Very low | 154 Ų | 154 | 137.9 Ų | 137.9 | 93% | 0.933 | 80% | 0.797 | S | S | * | * | | | trans | -134.5 | 150.7 | -174.6 | 90.5 | 0 | 0 | 0 | 0 | 112.3 | | |
| 243 | G | 37.9 | Very low | 39.8 | Very low | 61 Ų | 61 | 139.3 Ų | 139.3 | 63% | 0.629 | 80% | 0.801 | S | S | * | * | | | trans | 154.6 | 112.7 | 172.7 | 0 | 0 | 0 | 0 | 0 | 110.2 | | |
| 244 | Q | 34 | Very low | 39.9 | Very low | 191 Ų | 191 | 140.2 Ų | 140.2 | 89% | 0.893 | 81% | 0.807 | S | S | * | * | | | | 85.3 | 135.2 | 64.8 | -78.7 | -71.7 | 19 | 0 | 0 | 114 | | |
| 245 | I | 39.4 | Very low | 40 | Very low | 120 Ų | 120 | 138.7 Ų | 138.7 | 62% | 0.615 | 81% | 0.808 | S | S | * | * | | | trans | -102.5 | 161.8 | -167.3 | -26.2 | 177.4 | 0 | 0 | 0 | 110.3 | | |
| 246 | P | 41.3 | Very low | 39.8 | Very low | 122 Ų | 122 | 137.5 Ų | 137.5 | 79% | 0.792 | 81% | 0.81 | S | S | * | * | | | | -146.5 | 173.4 | 99.8 | 37.2 | -20.4 | 0 | 0 | 0 | 115.6 | | |
| 247 | H | 35 | Very low | 38.6 | Very low | 155 Ų | 155 | 135.8 Ų | 135.8 | 72% | 0.718 | 81% | 0.811 | S | S | * | * | | | trans | -100.6 | 157.8 | -172.6 | -36.8 | -94.9 | 0 | 0 | 0 | 113.4 | | |
| 248 | P | 52.3 | Low | 38.4 | Very low | 128 Ų | 128 | 135.8 Ų | 135.8 | 83% | 0.831 | 81% | 0.807 | S | S | * | * | | | trans | -110.4 | 106.4 | 165 | 35.2 | -24.4 | 0 | 0 | 0 | 112.6 | | |
| 249 | L | 40.2 | Very low | 38.8 | Very low | 161 Ų | 161 | 136.6 Ų | 136.6 | 84% | 0.843 | 81% | 0.809 | S | S | * | * | | | trans | -144.7 | 105.1 | 166.9 | -117.4 | 170.3 | 0 | 0 | 0 | 109.6 | | |
| 250 | G | 35.6 | Very low | 37.9 | Very low | 77 Ų | 77 | 138.2 Ų | 138.2 | 79% | 0.794 | 81% | 0.808 | S | S | * | * | | | trans | -171.4 | 99.4 | -178.3 | 0 | 0 | 0 | 0 | 0 | 111.8 | | |
| 251 | W | 36.2 | Very low | 37.9 | Very low | 220 Ų | 220 | 142.7 Ų | 142.7 | 83% | 0.833 | 80% | 0.8 | S | S | * | * | | | trans | -141.9 | 99.1 | 177.1 | 67.4 | -75.7 | 0 | 0 | 0 | 110.4 | | |
| 252 | L | 39.4 | Very low | 37.7 | Very low | 163 Ų | 163 | 143.3 Ų | 143.3 | 85% | 0.853 | 80% | 0.798 | S | S | * | * | | | trans | -142 | 117.3 | 169.5 | -77.8 | 177.7 | 0 | 0 | 0 | 111.2 | | |
| 253 | V | 40.2 | Very low | 37.4 | Very low | 133 Ų | 133 | 142.7 Ų | 142.7 | 81% | 0.806 | 79% | 0.789 | S | S | * | * | | | | 77.6 | 146.5 | 129 | 173.1 | 0 | 0 | 0 | 0 | 117.6 | | |
| 254 | P | 55.3 | Low | 38.4 | Very low | 119 Ų | 119 | 145.2 Ų | 145.2 | 77% | 0.773 | 79% | 0.794 | S | S | * | * | | | trans | -116.6 | 163.4 | -149.1 | 41.1 | -30.9 | 0 | 0 | 0 | 116.7 | | |
| 255 | Q | 33.4 | Very low | 38.9 | Very low | 186 Ų | 186 | 142.5 Ų | 142.5 | 87% | 0.869 | 79% | 0.793 | S | S | * | * | | | trans | -146.3 | 119.5 | 164.9 | -153.6 | 166.3 | 76.2 | 0 | 0 | 107.5 | | |
| 256 | Q | 29.2 | Very low | 38.6 | Very low | 187 Ų | 187 | 140.7 Ų | 140.7 | 87% | 0.874 | 80% | 0.804 | S | S | * | * | | | | 57.6 | 110.5 | 82.3 | -91.3 | -82.5 | 44.1 | 0 | 0 | 113.7 | | |
| 257 | G | 31.9 | Very low | 38.1 | Very low | 71 Ų | 71 | 138.3 Ų | 138.3 | 73% | 0.732 | 80% | 0.802 | S | S | * | * | | | trans | 161.5 | 116.1 | 175.8 | 0 | 0 | 0 | 0 | 0 | 113.8 | | |
| 258 | Q | 33.5 | Very low | 38 | Very low | 179 Ų | 179 | 139.2 Ų | 139.2 | 84% | 0.836 | 80% | 0.804 | S | S | * | * | | | trans | -90.2 | 162.3 | 167.8 | -68.4 | -80.8 | -17.2 | 0 | 0 | 110 | | |
| 259 | P | 42.8 | Very low | 37.3 | Very low | 122 Ų | 122 | 142.7 Ų | 142.7 | 79% | 0.792 | 80% | 0.8 | S | S | * | * | | | trans | -121.4 | 137.5 | 137 | 34.6 | -29 | 0 | 0 | 0 | 112.4 | | |
| 260 | M | 28.3 | Very low | 37.1 | Very low | 162 Ų | 162 | 143.4 Ų | 143.4 | 80% | 0.798 | 80% | 0.799 | S | S | * | * | | | trans | -80.5 | 139.4 | 177.4 | -81.5 | -175 | 72.2 | 0 | 0 | 113.1 | | |
| 261 | Y | 34.4 | Very low | 38 | Very low | 175 Ų | 175 | 145.6 Ų | 145.6 | 69% | 0.686 | 80% | 0.799 | S | S | * | * | | | trans | 11.4 | 143 | 147.5 | -51 | -85.5 | 0 | 0 | 0 | 121.4 | L263 | Y261-L263 HydrophobicContact CD1-CD1 4.07Å; Y261-L263 HydrophobicContact CD1-CG 4.34Å |
| 262 | S | 30.9 | Very low | 37.8 | Very low | 123 Ų | 123 | 145.3 Ų | 145.3 | 86% | 0.86 | 80% | 0.8 | S | S | * | * | | | | -142.3 | 149.4 | 120.4 | -81.7 | 0 | 0 | 0 | 0 | 110.4 | | |
| 263 | L | 34.7 | Very low | 38.2 | Very low | 142 Ų | 142 | 143 Ų | 143 | 74% | 0.743 | 79% | 0.794 | S | S | * | * | | | trans | -118.5 | -140.7 | -169.1 | -66.5 | 162.9 | 0 | 0 | 0 | 111.2 | Y261 | Y261-L263 HydrophobicContact CD1-CD1 4.07Å; Y261-L263 HydrophobicContact CD1-CG 4.34Å |
| 264 | P | 58.5 | Low | 37.8 | Very low | 113 Ų | 113 | 140.6 Ų | 140.6 | 73% | 0.734 | 79% | 0.788 | S | S | * | * | | | | -122.3 | -161.8 | -126.6 | 38.5 | -17 | 0 | 0 | 0 | 112.9 | | |
| 265 | P | 45.7 | Very low | 37.1 | Very low | 134 Ų | 134 | 143.2 Ų | 143.2 | 87% | 0.87 | 80% | 0.795 | S | S | * | * | | | | -136.8 | 149.9 | 124 | 35.8 | -24.8 | 0 | 0 | 0 | 113.9 | | |
| 266 | G | 31.8 | Very low | 37 | Very low | 82 Ų | 82 | 137.8 Ų | 137.8 | 85% | 0.845 | 78% | 0.782 | S | S | * | * | | | trans | -167.7 | -18.4 | -179.5 | 0 | 0 | 0 | 0 | 0 | 118.1 | | |
| 267 | G | 30.3 | Very low | 37.4 | Very low | 72 Ų | 72 | 137.7 Ų | 137.7 | 74% | 0.742 | 78% | 0.784 | S | S | * | * | | | trans | 91.1 | 165.6 | 176 | 0 | 0 | 0 | 0 | 0 | 115.3 | | |
| 268 | F | 33.3 | Very low | 37.8 | Very low | 175 Ų | 175 | 141.7 Ų | 141.7 | 77% | 0.768 | 79% | 0.788 | S | S | * | * | | | cis | -154.3 | 127.2 | -3.9 | -162.3 | -118.1 | 0 | 0 | 0 | 112.2 | | |
| 269 | R | 37.7 | Very low | 37.9 | Very low | 200 Ų | 200 | 137.4 Ų | 137.4 | 76% | 0.755 | 78% | 0.783 | S | S | * | * | | | trans | 72.8 | 131.5 | 163.2 | -58.3 | -72 | 161.8 | -176.8 | -3.9 | 121.1 | | |
| 270 | H | 35.3 | Very low | 37.6 | Very low | 176 Ų | 176 | 136.9 Ų | 136.9 | 82% | 0.815 | 78% | 0.783 | S | S | * | * | | | trans | -90 | -175.7 | 169.3 | -54.2 | -80.5 | 0 | 0 | 0 | 110 | | |
| 271 | P | 56.1 | Low | 38.1 | Very low | 123 Ų | 123 | 136.8 Ų | 136.8 | 80% | 0.799 | 78% | 0.782 | S | S | * | * | | | cis | -141.7 | 176.3 | 11 | 41.2 | -20.2 | 0 | 0 | 0 | 119.4 | | |
| 272 | Y | 30.7 | Very low | 38.1 | Very low | 215 Ų | 215 | 133.2 Ų | 133.2 | 84% | 0.843 | 78% | 0.783 | S | S | * | * | | | trans | -56.8 | 170.6 | 160.5 | -78.1 | -79.9 | 0 | 0 | 0 | 113 | | |
| 273 | P | 47.9 | Very low | 38.4 | Very low | 113 Ų | 113 | 132 Ų | 132 | 73% | 0.734 | 78% | 0.775 | S | S | * | * | | | cis | -150.7 | 168.6 | 31.1 | 45.1 | -25.2 | 0 | 0 | 0 | 120.8 | | |
| 274 | A | 31.7 | Very low | 38.7 | Very low | 83 Ų | 83 | 132.3 Ų | 132.3 | 69% | 0.686 | 78% | 0.776 | S | S | * | * | | | trans | 56.1 | 166.6 | 137.6 | 0 | 0 | 0 | 0 | 0 | 123.1 | | |
| 275 | L | 40.2 | Very low | 37.8 | Very low | 174 Ų | 174 | 133 Ų | 133 | 91% | 0.911 | 78% | 0.778 | S | S | * | * | | | trans | 70.1 | 159.1 | 171.7 | -49.3 | -179.7 | 0 | 0 | 0 | 116.3 | | |
| 276 | A | 32.8 | Very low | 37.1 | Very low | 72 Ų | 72 | 132.2 Ų | 132.2 | 60% | 0.595 | 78% | 0.776 | S | S | * | * | | | cis | -168.9 | 149.7 | -39.1 | 0 | 0 | 0 | 0 | 0 | 108.5 | | |
| 277 | M | 36.1 | Very low | 37.1 | Very low | 185 Ų | 185 | 133.9 Ų | 133.9 | 91% | 0.911 | 77% | 0.774 | S | S | * | * | | | trans | 62.6 | -178.3 | 171.8 | -42.1 | -170 | -175.1 | 0 | 0 | 112.2 | | |
| 278 | N | 41.6 | Very low | 37.5 | Very low | 156 Ų | 156 | 141.2 Ų | 141.2 | 83% | 0.834 | 78% | 0.78 | S | S | * | * | | | cis | -137.7 | 153.9 | -0.6 | -171.6 | 6.8 | 0 | 0 | 0 | 109.9 | | |
| 279 | A | 34.8 | Very low | 37.6 | Very low | 88 Ų | 88 | 142.1 Ų | 142.1 | 73% | 0.727 | 78% | 0.783 | S | S | * | * | | | trans | -88.2 | 156 | -174.7 | 0 | 0 | 0 | 0 | 0 | 113.8 | | |
| 280 | S | 36.1 | Very low | 37.4 | Very low | 112 Ų | 112 | 136.9 Ų | 136.9 | 78% | 0.783 | 78% | 0.778 | S | S | * | * | | | trans | -169.3 | 120.7 | 160.5 | -165.9 | 0 | 0 | 0 | 0 | 108.6 | | |
| 281 | M | 40.1 | Very low | 37.7 | Very low | 159 Ų | 159 | 134.7 Ų | 134.7 | 78% | 0.783 | 78% | 0.779 | S | S | * | * | | | cis | -138.2 | 170.5 | -5.6 | -76.9 | -142.8 | 77.1 | 0 | 0 | 111.5 | | |
| 282 | S | 34.2 | Very low | 36.4 | Very low | 100 Ų | 100 | 137.2 Ų | 137.2 | 70% | 0.699 | 78% | 0.78 | S | S | * | * | | | trans | -25.8 | 162.9 | 140.8 | -36 | 0 | 0 | 0 | 0 | 115.6 | | |
| 283 | S | 36 | Very low | 36.8 | Very low | 99 Ų | 99 | 134.1 Ų | 134.1 | 69% | 0.692 | 78% | 0.775 | S | S | * | * | | | cis | -156.2 | 146.2 | 21.9 | -153.8 | 0 | 0 | 0 | 0 | 115.1 | | |
| 284 | L | 42.8 | Very low | 36.1 | Very low | 147 Ų | 147 | 135.7 Ų | 135.7 | 77% | 0.77 | 78% | 0.782 | S | S | * | * | | | trans | 19.7 | 112.6 | 143.1 | -56 | 175.8 | 0 | 0 | 0 | 119.9 | | |
| 285 | V | 38.2 | Very low | 36.7 | Very low | 129 Ų | 129 | 136 Ų | 136 | 78% | 0.782 | 78% | 0.784 | S | S | * | * | | | trans | 10.3 | 111.6 | 135.6 | -72.6 | 0 | 0 | 0 | 0 | 119 | | |
| 286 | S | 32.2 | Very low | 36.8 | Very low | 116 Ų | 116 | 133.5 Ų | 133.5 | 81% | 0.811 | 78% | 0.779 | S | S | * | * | | | | 159.5 | 134.4 | 112.9 | -73.5 | 0 | 0 | 0 | 0 | 113.2 | | |
| 287 | S | 31.6 | Very low | 36.8 | Very low | 117 Ų | 117 | 134.1 Ų | 134.1 | 82% | 0.818 | 78% | 0.784 | S | S | * | * | | | | 178.3 | 152.8 | 117.2 | -170.3 | 0 | 0 | 0 | 0 | 110.9 | | |
| 288 | R | 37.7 | Very low | 36.9 | Very low | 227 Ų | 227 | 134.7 Ų | 134.7 | 86% | 0.857 | 78% | 0.784 | S | S | * | * | | | trans | -125.2 | 124.9 | 163 | -63.6 | -168.5 | -68 | -133.8 | 3.3 | 107.6 | | |
| 289 | F | 35.5 | Very low | 36.8 | Very low | 193 Ų | 193 | 133.6 Ų | 133.6 | 85% | 0.846 | 79% | 0.785 | S | S | * | * | | | | -176.7 | 175.8 | 121 | -117.9 | -95 | 0 | 0 | 0 | 113.3 | | |
| 290 | S | 32.9 | Very low | 36.7 | Very low | 91 Ų | 91 | 133.1 Ų | 133.1 | 64% | 0.636 | 79% | 0.789 | S | S | * | * | P | Polyproline II helix | trans | -63.3 | 157 | -171.2 | -44.7 | 0 | 0 | 0 | 0 | 116.4 | | |
| 291 | P | 42.2 | Very low | 36.9 | Very low | 130 Ų | 130 | 136 Ų | 136 | 84% | 0.844 | 80% | 0.795 | S | S | * | * | P | Polyproline II helix | trans | -75.1 | 132.1 | 154.8 | 32.4 | -31.6 | 0 | 0 | 0 | 110.8 | | |
| 292 | H | 28.7 | Very low | 37.2 | Very low | 176 Ų | 176 | 134.1 Ų | 134.1 | 82% | 0.815 | 79% | 0.794 | S | S | * | * | P | Polyproline II helix | trans | -99.2 | 160.3 | 166.1 | -175.7 | -85.6 | 0 | 0 | 0 | 110.7 | | |
| 293 | M | 39.8 | Very low | 37.1 | Very low | 150 Ų | 150 | 135.7 Ų | 135.7 | 74% | 0.739 | 80% | 0.8 | S | S | * | * | P | Polyproline II helix | trans | -67.1 | 151.4 | -174.1 | -48.7 | -166.2 | 73.9 | 0 | 0 | 115.3 | | |
| 294 | V | 33.4 | Very low | 37.2 | Very low | 145 Ų | 145 | 136.4 Ų | 136.4 | 88% | 0.879 | 81% | 0.805 | S | S | * | * | | | trans | -141.5 | 143.5 | 147.8 | 177.8 | 0 | 0 | 0 | 0 | 108.1 | | |
| 295 | A | 43.2 | Very low | 36.7 | Very low | 89 Ų | 89 | 132.8 Ų | 132.8 | 74% | 0.736 | 80% | 0.803 | S | S | * | * | | | trans | -154.9 | 142.1 | 173.1 | 0 | 0 | 0 | 0 | 0 | 111.9 | | |
| 296 | P | 43.6 | Very low | 36.8 | Very low | 122 Ų | 122 | 134.5 Ų | 134.5 | 79% | 0.792 | 81% | 0.806 | S | S | * | * | | | trans | -138 | 163 | 149.4 | 37.5 | -24.2 | 0 | 0 | 0 | 112.5 | | |
| 297 | A | 31.9 | Very low | 37.5 | Very low | 85 Ų | 85 | 133.8 Ų | 133.8 | 70% | 0.702 | 80% | 0.799 | S | S | * | * | | | cis | -165.4 | 152.8 | -22.7 | 0 | 0 | 0 | 0 | 0 | 108.7 | | |
| 298 | H | 37.4 | Very low | 37.4 | Very low | 197 Ų | 197 | 137.6 Ų | 137.6 | 91% | 0.912 | 80% | 0.804 | S | S | * | * | | | trans | -139 | 124.2 | 169.6 | -71.1 | -58 | 0 | 0 | 0 | 110.7 | | |
| 299 | P | 40.9 | Very low | 38 | Very low | 134 Ų | 134 | 132.6 Ų | 132.6 | 87% | 0.87 | 80% | 0.8 | S | S | * | * | | | trans | -93 | 141.7 | 170.6 | 34.7 | -31.1 | 0 | 0 | 0 | 111.9 | | |
| 300 | G | 31.7 | Very low | 37.8 | Very low | 78 Ų | 78 | 127.7 Ų | 127.7 | 80% | 0.804 | 80% | 0.796 | S | S | * | * | | | trans | 153.6 | 91.6 | 172.2 | 0 | 0 | 0 | 0 | 0 | 115.2 | | |
| 301 | L | 40.6 | Very low | 38.1 | Very low | 173 Ų | 173 | 130.9 Ų | 130.9 | 91% | 0.906 | 80% | 0.804 | S | S | * | * | | | trans | -100.4 | 168.3 | 164.1 | -68.3 | 172.5 | 0 | 0 | 0 | 108.7 | | |
| 302 | P | 46.2 | Very low | 37.8 | Very low | 119 Ų | 119 | 131.7 Ų | 131.7 | 77% | 0.773 | 81% | 0.806 | S | S | * | * | | | cis | -115.8 | -149.6 | 8.9 | 31.8 | -8.3 | 0 | 0 | 0 | 110.5 | | |
| 303 | T | 33.2 | Very low | 38.4 | Very low | 132 Ų | 132 | 128.2 Ų | 128.2 | 81% | 0.81 | 80% | 0.801 | S | S | * | * | | | cis | -157.5 | -176.2 | 14.1 | -160.3 | 0 | 0 | 0 | 0 | 113.8 | | |
| 304 | S | 37.5 | Very low | 38.5 | Very low | 114 Ų | 114 | 127.3 Ų | 127.3 | 80% | 0.797 | 81% | 0.807 | S | S | * | * | | | trans | -81.7 | 158.5 | -176.9 | -175.9 | 0 | 0 | 0 | 0 | 114.9 | | |
| 305 | G | 31.4 | Very low | 38.5 | Very low | 72 Ų | 72 | 127.6 Ų | 127.6 | 74% | 0.742 | 80% | 0.802 | S | S | * | * | | | trans | 159.8 | 99.5 | 162.5 | 0 | 0 | 0 | 0 | 0 | 116.2 | | |
| 306 | I | 41.5 | Very low | 37.9 | Very low | 165 Ų | 165 | 129.1 Ų | 129.1 | 85% | 0.846 | 80% | 0.802 | S | S | * | * | | | trans | -138.1 | 156.2 | 170.7 | -28.3 | 176.2 | 0 | 0 | 0 | 107.6 | | |
| 307 | P | 45.6 | Very low | 37.5 | Very low | 101 Ų | 101 | 132 Ų | 132 | 66% | 0.656 | 80% | 0.802 | S | S | * | * | | | | -116.6 | 175.9 | -62.7 | 38.2 | -26.2 | 0 | 0 | 0 | 112.2 | | |
| 308 | H | 31.4 | Very low | 37.4 | Very low | 197 Ų | 197 | 136 Ų | 136 | 91% | 0.912 | 81% | 0.806 | S | S | * | * | | | trans | -144.1 | 129.1 | 156.4 | -83.4 | -62.3 | 0 | 0 | 0 | 112.9 | | |
| 309 | P | 49.7 | Very low | 37.2 | Very low | 122 Ų | 122 | 133.9 Ų | 133.9 | 79% | 0.792 | 80% | 0.796 | S | S | * | * | | | trans | -110.2 | 113.3 | 171.4 | 35.1 | -25 | 0 | 0 | 0 | 112.5 | | |
| 310 | A | 30.7 | Very low | 36.8 | Very low | 90 Ų | 90 | 133.2 Ų | 133.2 | 74% | 0.744 | 79% | 0.792 | S | S | * | * | | | trans | -158.1 | 127.3 | 169.6 | 0 | 0 | 0 | 0 | 0 | 114.8 | | |
| 311 | I | 39.8 | Very low | 36.9 | Very low | 158 Ų | 158 | 133.1 Ų | 133.1 | 81% | 0.81 | 78% | 0.784 | S | S | * | * | | | trans | 39.5 | 105.2 | 133.2 | -46.4 | 168.9 | 0 | 0 | 0 | 118.6 | | |
| 312 | V | 35 | Very low | 37.5 | Very low | 146 Ų | 146 | 130.4 Ų | 130.4 | 89% | 0.885 | 78% | 0.776 | S | S | * | * | | | trans | -143.2 | 133.9 | 136.6 | 178.1 | 0 | 0 | 0 | 0 | 108.8 | | |
| 313 | S | 41.5 | Very low | 37.4 | Very low | 103 Ų | 103 | 130.5 Ų | 130.5 | 72% | 0.72 | 78% | 0.777 | S | S | * | * | | | trans | -107.6 | 155.5 | 169.8 | -53 | 0 | 0 | 0 | 0 | 110.4 | | |
| 314 | P | 42.7 | Very low | 37.4 | Very low | 132 Ų | 132 | 128.6 Ų | 128.6 | 86% | 0.857 | 77% | 0.769 | S | S | * | * | | | trans | -114.3 | 143.3 | 150.3 | 34.7 | -27.7 | 0 | 0 | 0 | 111.9 | | |
| 315 | I | 32.9 | Very low | 37.2 | Very low | 150 Ų | 150 | 130.7 Ų | 130.7 | 77% | 0.769 | 77% | 0.771 | S | S | * | * | | | trans | -128.1 | 123.6 | -178.4 | -177.1 | 173.3 | 0 | 0 | 0 | 109.5 | | |
| 316 | V | 31.6 | Very low | 37.1 | Very low | 122 Ų | 122 | 132.4 Ų | 132.4 | 74% | 0.739 | 77% | 0.772 | S | S | * | * | | | trans | 63.7 | 149.9 | 156.2 | 168.2 | 0 | 0 | 0 | 0 | 119 | | |
| 317 | K | 33.9 | Very low | 37.4 | Very low | 183 Ų | 183 | 130.6 Ų | 130.6 | 80% | 0.796 | 77% | 0.771 | S | S | * | * | | | trans | 71.4 | 151.5 | 172.7 | -81.2 | 170.2 | 179.9 | -179.1 | 0 | 116 | | |
| 318 | Q | 30.6 | Very low | 36.7 | Very low | 167 Ų | 167 | 130.7 Ų | 130.7 | 78% | 0.78 | 78% | 0.78 | S | S | * | * | | | cis | -144.1 | 152.6 | 4.1 | -149.9 | 166.5 | -64 | 0 | 0 | 112.6 | | |
| 319 | E | 32 | Very low | 37 | Very low | 153 Ų | 153 | 127.8 Ų | 127.8 | 72% | 0.715 | 78% | 0.776 | S | S | * | * | | | trans | -88.8 | 147.3 | 166.1 | -160.7 | -138.7 | 119.4 | 0 | 0 | 109.8 | A321 | E319-A321 PolarHBondContact OE1-N 3.24Š|
| 320 | P | 34.4 | Very low | 36.2 | Very low | 120 Ų | 120 | 127.1 Ų | 127.1 | 78% | 0.779 | 77% | 0.774 | S | S | * | * | | | | -148.1 | 160 | 100.8 | 37.9 | -21.5 | 0 | 0 | 0 | 116.1 | | |
| 321 | A | 32.7 | Very low | 36.3 | Very low | 76 Ų | 76 | 127.1 Ų | 127.1 | 63% | 0.628 | 77% | 0.774 | S | S | * | * | | | trans | -136.1 | -171.5 | 164.1 | 0 | 0 | 0 | 0 | 0 | 110 | E319 | E319-A321 PolarHBondContact OE1-N 3.24Š|
| 322 | P | 53.3 | Low | 36.2 | Very low | 116 Ų | 116 | 129.7 Ų | 129.7 | 75% | 0.753 | 78% | 0.779 | S | S | * | * | | | cis | -119.3 | -169.2 | -20.8 | 42.8 | -28.2 | 0 | 0 | 0 | 111.3 | | |
| 323 | P | 44.5 | Very low | 36 | Very low | 121 Ų | 121 | 128.2 Ų | 128.2 | 79% | 0.786 | 78% | 0.775 | S | S | * | * | | | | -150.6 | -171 | 85.8 | 33 | -10.5 | 0 | 0 | 0 | 114.1 | | |
| 324 | S | 31.8 | Very low | 35.9 | Very low | 93 Ų | 93 | 129.1 Ų | 129.1 | 65% | 0.65 | 78% | 0.779 | S | S | * | * | | | | -170.7 | 150.8 | -50.8 | 64.6 | 0 | 0 | 0 | 0 | 110.7 | | |
| 325 | L | 33.3 | Very low | 35.7 | Very low | 157 Ų | 157 | 128.6 Ų | 128.6 | 82% | 0.822 | 77% | 0.773 | S | S | * | * | | | trans | 70.1 | 125.4 | 171.4 | -47.4 | 177.3 | 0 | 0 | 0 | 115.7 | | |
| 326 | S | 29.3 | Very low | 35.8 | Very low | 109 Ų | 109 | 127.4 Ų | 127.4 | 76% | 0.762 | 77% | 0.773 | S | S | * | * | | | cis | 106.1 | 163 | 32.9 | -66.5 | 0 | 0 | 0 | 0 | 112.3 | | |
| 327 | P | 49.6 | Very low | 36.3 | Very low | 127 Ų | 127 | 127.9 Ų | 127.9 | 83% | 0.825 | 78% | 0.775 | S | S | * | * | | | | -134.2 | 159.8 | -66.9 | 38.9 | -23.3 | 0 | 0 | 0 | 114.9 | | |
| 328 | A | 30.1 | Very low | 36.5 | Very low | 103 Ų | 103 | 128.3 Ų | 128.3 | 85% | 0.851 | 78% | 0.777 | S | S | * | * | | | trans | -153.2 | 150.7 | 170 | 0 | 0 | 0 | 0 | 0 | 116.4 | | |
| 329 | V | 37.2 | Very low | 36.8 | Very low | 136 Ų | 136 | 128.6 Ų | 128.6 | 82% | 0.824 | 78% | 0.776 | S | S | * | * | | | trans | -51.1 | 154.4 | -178.7 | -64.2 | 0 | 0 | 0 | 0 | 116.1 | | |
| 330 | S | 32.8 | Very low | 37.1 | Very low | 107 Ų | 107 | 130 Ų | 130 | 75% | 0.748 | 78% | 0.783 | S | S | * | * | | | | -164.6 | 140 | 57.2 | -65.3 | 0 | 0 | 0 | 0 | 118.2 | | |
| 331 | A | 34.2 | Very low | 37.6 | Very low | 90 Ų | 90 | 129.9 Ų | 129.9 | 74% | 0.744 | 77% | 0.772 | S | S | * | * | | | trans | 52.2 | 93.5 | 130.8 | 0 | 0 | 0 | 0 | 0 | 123.7 | | |
| 332 | K | 36 | Very low | 38.3 | Very low | 212 Ų | 212 | 132.5 Ų | 132.5 | 92% | 0.922 | 77% | 0.771 | S | S | * | * | | | | 38.4 | 115.3 | 119.5 | -58.5 | 174.5 | -177.8 | 176.6 | 0 | 120.4 | | |
| 333 | S | 30.9 | Very low | 38.3 | Very low | 116 Ų | 116 | 134.4 Ų | 134.4 | 81% | 0.811 | 77% | 0.767 | S | S | * | * | | | trans | -144.9 | 158.9 | 131.5 | 77.8 | 0 | 0 | 0 | 0 | 109.8 | | |
| 334 | P | 40.6 | Very low | 38.8 | Very low | 122 Ų | 122 | 135.2 Ų | 135.2 | 79% | 0.792 | 76% | 0.758 | S | S | * | * | | | trans | -87.7 | 146 | -145 | 31.2 | -36.2 | 0 | 0 | 0 | 117 | T336 | P334-T336 PolarHBondContact O-N 3.43Š|
| 335 | V | 37.5 | Very low | 40.7 | Very low | 121 Ų | 121 | 135.7 Ų | 135.7 | 73% | 0.733 | 76% | 0.759 | S | S | * | * | | | trans | -44.8 | 122.3 | 164 | -175.9 | 0 | 0 | 0 | 0 | 111.5 | V337 | V335-V337 HydrophobicContact CG1-CG2 3.63Š|
| 336 | T | 35.5 | Very low | 42.6 | Very low | 125 Ų | 125 | 133.8 Ų | 133.8 | 77% | 0.767 | 75% | 0.746 | S | S | * | * | | | trans | -88.8 | 102.2 | 159.7 | 46.1 | 0 | 0 | 0 | 0 | 108.8 | P334 K338 | P334-T336 PolarHBondContact O-N 3.43Å; T336-K338 PolarHBondContact O-N 3.43Å |
| 337 | V | 41.4 | Very low | 45 | Very low | 131 Ų | 131 | 129.5 Ų | 129.5 | 79% | 0.794 | 72% | 0.715 | S | S | * | * | | | trans | -74.2 | 63.9 | 176.4 | -168.2 | 0 | 0 | 0 | 0 | 110.2 | V335 K339 | V335-V337 HydrophobicContact CG1-CG2 3.63Å; V337-K339 PolarHBondContact O-N 2.86Å |
| 338 | K | 38.4 | Very low | 46.7 | Very low | 192 Ų | 192 | 130.4 Ų | 130.4 | 84% | 0.835 | 71% | 0.706 | S | S | * | * | | | trans | -89.9 | 72 | 164.6 | -80.2 | -172.9 | 175 | 174 | 0 | 109 | T336 | T336-K338 PolarHBondContact O-N 3.43Š|
| 339 | K | 37.8 | Very low | 49.6 | Very low | 174 Ų | 174 | 131.9 Ų | 131.9 | 76% | 0.757 | 69% | 0.693 | S | S | * | * | | | trans | 12.3 | 111.8 | 165.3 | -168.7 | 174.5 | -175 | 176.9 | 0 | 114.8 | V337 E341 | V337-K339 PolarHBondContact O-N 2.86Å; K339-E341 PolarHBondContact O-N 3.26Å |
| 340 | E | 38.8 | Very low | 52.2 | Low | 182 Ų | 182 | 126.3 Ų | 126.3 | 85% | 0.85 | 66% | 0.66 | S | S | * | * | | | trans | -54.9 | 82.3 | 166 | -170.9 | -179.1 | 161.3 | 0 | 0 | 111.3 | E342 | E340-E342 HydrophobicContact CG-CG 4.39Š|
| 341 | E | 45 | Very low | 55.1 | Low | 117 Ų | 117 | 124.1 Ų | 124.1 | 55% | 0.547 | 64% | 0.639 | S | S | . | * | | | trans | -108.8 | 68.4 | 158.4 | -170.9 | 170 | -152.2 | 0 | 0 | 106.8 | K339 K343 K344 | K339-E341 PolarHBondContact O-N 3.26Å; E341-K343 PolarHBondContact O-N 2.95Å; E341-K344 WeakPolarHBondContact OE1-CD 3.13Å; E341-K344 WeakPolarHBondContact OE1-CE 3.4Å; E341-K344 IonicContact OE1-NZ 2.78Å; E341-K344 PolarHBondContact OE1-NZ 2.84Å |
| 342 | E | 47.2 | Very low | 58 | Low | 131 Ų | 131 | 124 Ų | 124 | 61% | 0.612 | 63% | 0.626 | S | S | * | * | | | trans | -57.8 | 95.9 | 175 | -94.6 | -79.7 | 96.6 | 0 | 0 | 109.7 | E340 K344 | E340-E342 HydrophobicContact CG-CG 4.39Å; E342-K344 PolarHBondContact O-N 2.92Å; E342-K344 VanDerWaalsContact O-N 3.14Å |
| 343 | K | 53.6 | Low | 60.8 | Low | 156 Ų | 156 | 113.9 Ų | 113.9 | 68% | 0.678 | 58% | 0.583 | S | S | * | * | | | trans | 47 | 55.3 | 151.1 | -46.9 | -175.3 | -163.4 | 85 | 0 | 115.3 | E341 P345 | E341-K343 PolarHBondContact O-N 2.95Å; K343-P345 VanDerWaalsContact O-N 3.16Å |
| 344 | K | 54.9 | Low | 63.9 | Low | 138 Ų | 138 | 111.2 Ų | 111.2 | 60% | 0.6 | 56% | 0.556 | S | S | * | * | | | trans | -45.1 | 126 | 143.8 | -73.3 | 174.5 | -177 | 160.6 | 0 | 106.7 | E341 E342 H346 | E341-K344 WeakPolarHBondContact OE1-CD 3.13Å; E341-K344 WeakPolarHBondContact OE1-CE 3.4Å; E341-K344 IonicContact OE1-NZ 2.78Å; E341-K344 PolarHBondContact OE1-NZ 2.84Å; E342-K344 PolarHBondContact O-N 2.92Å; E342-K344 VanDerWaalsContact O-N 3.14Å; K344-H346 PolarHBondContact O-N 3.03Å |
| 345 | P | 70.5 | Confident | 66.5 | Low | 103 Ų | 103 | 109.7 Ų | 109.7 | 67% | 0.669 | 54% | 0.54 | S | S | * | . | | | trans | -56.4 | 143.8 | -173.5 | 21.7 | -32.8 | 0 | 0 | 0 | 109.6 | K343 V347 | K343-P345 VanDerWaalsContact O-N 3.16Å; P345-V347 PolarHBondContact O-N 3.04Å |
| 346 | H | 73.6 | Confident | 69.3 | Low | 118 Ų | 118 | 104.9 Ų | 104.9 | 55% | 0.546 | 51% | 0.51 | S | S | . | . | | | trans | -71 | 78.5 | 177.7 | 178.3 | 70.8 | 0 | 0 | 0 | 109.9 | K344 K348 N419 Y420 | K344-H346 PolarHBondContact O-N 3.03Å; H346-K348 PolarHBondContact O-N 3.44Å; H346-N419 PolarHBondContact CE1-OD1 2.85Å; H346-Y420 AromaticContact CE1-CE1 3.86Å |
| 347 | V | 78.9 | Confident | 72 | Confident | 18 Ų | 18 | 99 Ų | 99 | 11% | 0.109 | 47% | 0.474 | C | S | . | . | P | Polyproline II helix | trans | -57.5 | 117.8 | 170.7 | 174.9 | 0 | 0 | 0 | 0 | 107 | P345 Y411 W414 N419 | P345-V347 PolarHBondContact O-N 3.04Å; V347-Y411 HydrophobicContact CG1-CD1 4.42Å; V347-Y411 HydrophobicContact CG1-CD2 3.46Å; V347-Y411 VanDerWaalsContact CG1-CD2 3.46Å; V347-Y411 HydrophobicContact CG1-CE2 3.65Å; V347-Y411 HydrophobicContact CG1-CG 3.87Å; V347-Y411 HydrophobicContact CG2-CD1 3.71Å; V347-Y411 HydrophobicContact CG2-CD2 4.21Å; V347-Y411 HydrophobicContact CG2-CE1 3.63Å; V347-Y411 HydrophobicContact CG2-CE2 4.12Å; V347-Y411 HydrophobicContact CG2-CG 4Å; V347-W414 VanDerWaalsContact CG1-CD1 3.45Å; V347-W414 HydrophobicContact CG1-CG 4.06Å; V347-W414 PolarHBondContact O-NE1 3.03Å; V347-N419 PolarHBondContact O-ND2 3.13Å |
| 348 | K | 87.1 | Confident | 74.5 | Confident | 146 Ų | 146 | 94 Ų | 94 | 64% | 0.635 | 44% | 0.442 | S | S | * | . | P | Polyproline II helix | trans | -77.7 | 159.5 | -178.1 | -64.1 | 170.5 | -175.2 | 168.1 | 0 | 109.1 | H346 | H346-K348 PolarHBondContact O-N 3.44Š|
| 349 | K | 90.9 | Very high | 77.1 | Confident | 135 Ų | 135 | 92.6 Ų | 92.6 | 59% | 0.587 | 44% | 0.436 | S | S | * | . | P | Polyproline II helix | trans | -57.8 | 133.4 | 170.8 | -174.4 | 168.5 | -177 | 176.4 | 0 | 110.3 | W414 Y420 | K349-W414 HydrophobicContact CB-CH2 4.07Å; K349-W414 HydrophobicContact CB-CZ2 4.16Å; K349-W414 HydrophobicContact CG-CH2 4.03Å; K349-Y420 HydrophobicContact CB-CE2 3.97Å; K349-Y420 PolarHBondContact N-OH 3.11Å; K349-Y420 VanDerWaalsContact N-OH 3.09Å |
| 350 | P | 91.6 | Very high | 79.7 | Confident | 19 Ų | 19 | 88.4 Ų | 88.4 | 12% | 0.123 | 42% | 0.419 | C | S | . | . | P | Polyproline II helix | trans | -54 | 143.3 | 172.3 | 18.1 | -30.4 | 0 | 0 | 0 | 111.2 | N352 E403 R404 H407 | P350-N352 PolarHBondContact O-N 3.39Å; P350-E403 HydrophobicContact CB-CG 4.13Å; P350-R404 HydrophobicContact CG-CB 4.46Å; P350-R404 HydrophobicContact CG-CG 4.25Å; P350-H407 HydrophobicContact CB-CB 3.9Å; P350-H407 HydrophobicContact CG-CB 4.05Å |
| 351 | L | 92.9 | Very high | 82.3 | Confident | 60 Ų | 60 | 81 Ų | 81 | 31% | 0.314 | 39% | 0.385 | S | S | . | . | P | Polyproline II helix | trans | -70.8 | 130.6 | -172.2 | -83.2 | 66.3 | 0 | 0 | 0 | 110.7 | M355 L356 K359 | L351-M355 HydrophobicContact CB-CB 4.02Å; L351-M355 HydrophobicContact CD2-CB 4.35Å; L351-M355 HydrophobicContact CG-CB 4.04Å; L351-L356 HydrophobicContact CB-CD2 3.64Å; L351-L356 HydrophobicContact CB-CG 3.9Å; L351-L356 HydrophobicContact CD2-CD2 3.85Å; L351-L356 HydrophobicContact CG-CD2 4.4Å; L351-K359 HydrophobicContact CD2-CD 4.37Å |
| 352 | N | 94.9 | Very high | 84.4 | Confident | 87 Ų | 87 | 78.7 Ų | 78.7 | 47% | 0.465 | 37% | 0.371 | S | S | . | . | P | Polyproline II helix | trans | -75.1 | 164.1 | 171.3 | -164.8 | 18.1 | 0 | 0 | 0 | 110.9 | P350 F354 M355 L356 | P350-N352 PolarHBondContact O-N 3.39Å; N352-F354 PolarHBondContact O-N 3.08Å; N352-M355 HydrophobicContact CB-CG 4.24Å; N352-M355 WeakPolarHBondContact O-CA 3.15Å; N352-M355 VanDerWaalsContact O-CB 3.3Å; N352-M355 WeakPolarHBondContact O-CB 3.41Å; N352-M355 PolarHBondContact O-N 3.11Å; N352-L356 PolarHBondContact O-N 3.22Å |
| 353 | A | 95.8 | Very high | 86.4 | Confident | 1 Ų | 1 | 75.9 Ų | 75.9 | 1% | 0.008 | 37% | 0.37 | C | S | . | . | H | α-helix | trans | -49.6 | -52.4 | -176.6 | 0 | 0 | 0 | 0 | 0 | 113 | M355 L356 Y357 W385 Y396 Y397 A400 | A353-M355 VanDerWaalsContact C-N 3.28Å; A353-M355 PolarHBondContact O-N 3.5Å; A353-L356 WeakPolarHBondContact O-CB 3.34Å; A353-L356 PolarHBondContact O-N 2.93Å; A353-L356 VanDerWaalsContact O-N 3.11Å; A353-Y357 PolarHBondContact O-N 3.22Å; A353-W385 HydrophobicContact CB-CH2 3.71Å; A353-W385 HydrophobicContact CB-CZ2 4.29Å; A353-Y396 WeakPolarHBondContact CB-O 3.42Å; A353-Y397 HydrophobicContact CB-CD1 3.86Å; A353-Y397 HydrophobicContact CB-CE1 4.09Å; A353-Y397 HydrophobicContact CB-CG 4.08Å; A353-A400 HydrophobicContact CB-CB 4.14Å |
| 354 | F | 95.3 | Very high | 88.1 | Confident | 59 Ų | 59 | 72.7 Ų | 72.7 | 26% | 0.259 | 36% | 0.356 | S | S | . | . | H | α-helix | trans | -61.1 | -30.4 | 174.8 | 178.9 | -115.5 | 0 | 0 | 0 | 114.1 | N352 Y357 M358 W385 | N352-F354 PolarHBondContact O-N 3.08Å; F354-Y357 HydrophobicContact CD2-CD1 4.1Å; F354-Y357 HydrophobicContact CE2-CD1 4.23Å; F354-M358 HydrophobicContact CD1-CE 3.81Å; F354-M358 HydrophobicContact CD1-CG 4.45Å; F354-M358 HydrophobicContact CD1-SD 4.4Å; F354-M358 HydrophobicContact CD2-CG 4.34Å; F354-M358 HydrophobicContact CE1-CE 3.44Å; F354-M358 VanDerWaalsContact CE1-CE 3.44Å; F354-M358 HydrophobicContact CE1-CG 4Å; F354-M358 HydrophobicContact CE1-SD 3.59Å; F354-M358 VanDerWaalsContact CE1-SD 3.59Å; F354-M358 HydrophobicContact CE2-CG 3.86Å; F354-M358 HydrophobicContact CE2-SD 4.37Å; F354-M358 HydrophobicContact CZ-CE 4.07Å; F354-M358 HydrophobicContact CZ-CG 3.68Å; F354-M358 HydrophobicContact CZ-SD 3.57Å; F354-M358 VanDerWaalsContact CZ-SD 3.57Å; F354-M358 WeakPolarHBondContact O-CB 3.48Å; F354-M358 WeakPolarHBondContact O-CG 3.26Å; F354-M358 PolarHBondContact O-N 3.19Å; F354-W385 HydrophobicContact CB-CD2 4.31Å; F354-W385 HydrophobicContact CD2-CB 3.69Å; F354-W385 AromaticContact CD2-CD2 3.8Å; F354-W385 HydrophobicContact CD2-CD2 3.8Å; F354-W385 HydrophobicContact CD2-CE3 4.15Å; F354-W385 AromaticContact CD2-CG 3.58Å; F354-W385 HydrophobicContact CD2-CG 3.58Å; F354-W385 HydrophobicContact CE2-CB 3.74Å; F354-W385 HydrophobicContact CE2-CG 4.13Å |
| 355 | M | 95.9 | Very high | 89.6 | Confident | 91 Ų | 91 | 66.1 Ų | 66.1 | 45% | 0.448 | 33% | 0.328 | S | S | . | . | H | α-helix | trans | -72.8 | -34.1 | 175.8 | -58.9 | -59.1 | -55.2 | 0 | 0 | 111.8 | L351 N352 A353 M358 K359 | L351-M355 HydrophobicContact CB-CB 4.02Å; L351-M355 HydrophobicContact CD2-CB 4.35Å; L351-M355 HydrophobicContact CG-CB 4.04Å; N352-M355 HydrophobicContact CB-CG 4.24Å; N352-M355 WeakPolarHBondContact O-CA 3.15Å; N352-M355 VanDerWaalsContact O-CB 3.3Å; N352-M355 WeakPolarHBondContact O-CB 3.41Å; N352-M355 PolarHBondContact O-N 3.11Å; A353-M355 VanDerWaalsContact C-N 3.28Å; A353-M355 PolarHBondContact O-N 3.5Å; M355-M358 HydrophobicContact CE-CE 3.72Å; M355-M358 HydrophobicContact SD-CE 3.42Å; M355-M358 WeakPolarHBondContact SD-CE 3.4Å; M355-K359 WeakPolarHBondContact O-CB 3.42Å; M355-K359 PolarHBondContact O-N 3.37Å |
| 356 | L | 94.4 | Very high | 90.5 | Very high | 19 Ų | 19 | 65 Ų | 65 | 10% | 0.099 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -69.6 | -44.3 | 172.4 | -64.2 | 173.5 | 0 | 0 | 0 | 110.9 | L351 N352 A353 M358 K359 E360 Y396 L399 A400 | L351-L356 HydrophobicContact CB-CD2 3.64Å; L351-L356 HydrophobicContact CB-CG 3.9Å; L351-L356 HydrophobicContact CD2-CD2 3.85Å; L351-L356 HydrophobicContact CG-CD2 4.4Å; N352-L356 PolarHBondContact O-N 3.22Å; A353-L356 WeakPolarHBondContact O-CB 3.34Å; A353-L356 PolarHBondContact O-N 2.93Å; A353-L356 VanDerWaalsContact O-N 3.11Å; L356-M358 PolarHBondContact O-N 3.23Å; L356-K359 WeakPolarHBondContact O-CB 3.14Å; L356-K359 PolarHBondContact O-N 2.83Å; L356-K359 VanDerWaalsContact O-N 3.11Å; L356-E360 PolarHBondContact O-N 3.48Å; L356-Y396 HydrophobicContact CB-CD1 4.2Å; L356-L399 HydrophobicContact CD1-CB 3.8Å; L356-A400 HydrophobicContact CD1-CB 4Å |
| 357 | Y | 93.7 | Very high | 91.1 | Very high | 2 Ų | 2 | 63.5 Ų | 63.5 | 1% | 0.008 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -58.3 | -47.3 | 172.8 | 174 | -107.5 | 0 | 0 | 0 | 112.3 | A353 F354 K359 E360 M361 L381 K384 W385 L388 Y396 | A353-Y357 PolarHBondContact O-N 3.22Å; F354-Y357 HydrophobicContact CD2-CD1 4.1Å; F354-Y357 HydrophobicContact CE2-CD1 4.23Å; Y357-K359 VanDerWaalsContact C-N 3.3Å; Y357-K359 PolarHBondContact O-N 3.36Å; Y357-E360 PolarHBondContact O-N 2.98Å; Y357-M361 HydrophobicContact CD2-CG 3.74Å; Y357-M361 HydrophobicContact CE1-CB 4.46Å; Y357-M361 HydrophobicContact CE1-CG 4.32Å; Y357-M361 HydrophobicContact CE2-CB 4.25Å; Y357-M361 HydrophobicContact CE2-CE 4.24Å; Y357-M361 HydrophobicContact CE2-CG 3.28Å; Y357-M361 HydrophobicContact CE2-SD 4.48Å; Y357-M361 HydrophobicContact CG-CG 4.44Å; Y357-M361 PolarHBondContact O-N 3.38Å; Y357-L381 HydrophobicContact CE1-CD2 4.4Å; Y357-K384 WeakPolarHBondContact OH-CB 3.26Å; Y357-K384 VanDerWaalsContact OH-CG 3.24Å; Y357-K384 WeakPolarHBondContact OH-CG 3.28Å; Y357-K384 PolarHBondContact OH-O 3.3Å; Y357-W385 HydrophobicContact CD1-CB 4.02Å; Y357-W385 HydrophobicContact CD1-CD2 4.44Å; Y357-W385 AromaticContact CD1-CE3 3.7Å; Y357-W385 HydrophobicContact CD1-CE3 3.7Å; Y357-W385 HydrophobicContact CD2-CE3 4.23Å; Y357-W385 HydrophobicContact CE1-CB 3.82Å; Y357-W385 HydrophobicContact CE1-CE3 4.39Å; Y357-W385 AromaticContact CG-CE3 3.59Å; Y357-W385 HydrophobicContact CG-CE3 3.59Å; Y357-W385 HydrophobicContact CG-CZ3 4.11Å; Y357-L388 HydrophobicContact CD2-CD1 3.82Å; Y357-L388 HydrophobicContact CE2-CD1 3.6Å; Y357-L388 HydrophobicContact CE2-CD2 3.96Å; Y357-L388 HydrophobicContact CE2-CG 4.14Å; Y357-L388 HydrophobicContact CG-CD1 4.43Å; Y357-Y396 HydrophobicContact CD2-CD2 4.26Å; Y357-Y396 AromaticContact CD2-CE2 3.64Å; Y357-Y396 HydrophobicContact CD2-CE2 3.64Å; Y357-Y396 AromaticContact CD2-CZ 3.79Å; Y357-Y396 HydrophobicContact CE2-CE2 4.46Å; Y357-Y396 HydrophobicContact CG-CE2 4.46Å |
| 358 | M | 94.3 | Very high | 91.3 | Very high | 25 Ų | 25 | 68.4 Ų | 68.4 | 12% | 0.123 | 35% | 0.348 | C | S | . | . | H | α-helix | trans | -61.9 | -35 | 173.5 | -78.3 | -158.7 | -65.3 | 0 | 0 | 112.7 | F354 M355 L356 E360 R362 L381 | F354-M358 HydrophobicContact CD1-CE 3.81Å; F354-M358 HydrophobicContact CD1-CG 4.45Å; F354-M358 HydrophobicContact CD1-SD 4.4Å; F354-M358 HydrophobicContact CD2-CG 4.34Å; F354-M358 HydrophobicContact CE1-CE 3.44Å; F354-M358 VanDerWaalsContact CE1-CE 3.44Å; F354-M358 HydrophobicContact CE1-CG 4Å; F354-M358 HydrophobicContact CE1-SD 3.59Å; F354-M358 VanDerWaalsContact CE1-SD 3.59Å; F354-M358 HydrophobicContact CE2-CG 3.86Å; F354-M358 HydrophobicContact CE2-SD 4.37Å; F354-M358 HydrophobicContact CZ-CE 4.07Å; F354-M358 HydrophobicContact CZ-CG 3.68Å; F354-M358 HydrophobicContact CZ-SD 3.57Å; F354-M358 VanDerWaalsContact CZ-SD 3.57Å; F354-M358 WeakPolarHBondContact O-CB 3.48Å; F354-M358 WeakPolarHBondContact O-CG 3.26Å; F354-M358 PolarHBondContact O-N 3.19Å; M355-M358 HydrophobicContact CE-CE 3.72Å; M355-M358 HydrophobicContact SD-CE 3.42Å; M355-M358 WeakPolarHBondContact SD-CE 3.4Å; L356-M358 PolarHBondContact O-N 3.23Å; M358-E360 PolarHBondContact O-N 2.85Å; M358-R362 WeakPolarHBondContact O-CB 3.41Å; M358-R362 PolarHBondContact O-N 3.32Å; M358-L381 HydrophobicContact CG-CB 4.24Å; M358-L381 HydrophobicContact CG-CD1 4.05Å; M358-L381 HydrophobicContact SD-CD1 4.22Å |
| 359 | K | 93 | Very high | 90.8 | Very high | 163 Ų | 163 | 62.7 Ų | 62.7 | 71% | 0.709 | 33% | 0.327 | S | S | * | . | H | α-helix | trans | -60 | -36.4 | 176.4 | -177.1 | -172 | 173.2 | -169.9 | 0 | 111.5 | L351 M355 L356 Y357 | L351-K359 HydrophobicContact CD2-CD 4.37Å; M355-K359 WeakPolarHBondContact O-CB 3.42Å; M355-K359 PolarHBondContact O-N 3.37Å; L356-K359 WeakPolarHBondContact O-CB 3.14Å; L356-K359 PolarHBondContact O-N 2.83Å; L356-K359 VanDerWaalsContact O-N 3.11Å; Y357-K359 VanDerWaalsContact C-N 3.3Å; Y357-K359 PolarHBondContact O-N 3.36Å |
| 360 | E | 92.4 | Very high | 89.9 | Confident | 86 Ų | 86 | 62.6 Ų | 62.6 | 40% | 0.402 | 34% | 0.338 | S | S | . | . | H | α-helix | trans | -85.1 | -50.5 | 178.1 | -158.2 | -158.5 | 135.4 | 0 | 0 | 112.7 | L356 Y357 M358 K364 Y396 | L356-E360 PolarHBondContact O-N 3.48Å; Y357-E360 PolarHBondContact O-N 2.98Å; M358-E360 PolarHBondContact O-N 2.85Å; E360-K364 IonicContact OE1-NZ 2.68Å; E360-K364 PolarHBondContact OE1-NZ 3.31Å; E360-Y396 PolarHBondContact OE2-OH 2.78Å |
| 361 | M | 91.7 | Very high | 88.7 | Confident | 27 Ų | 27 | 65.8 Ų | 65.8 | 13% | 0.133 | 35% | 0.353 | C | S | . | . | H | α-helix | trans | -82 | -19 | -171.5 | -63.3 | -52.5 | 156.4 | 0 | 0 | 114.5 | Y357 A363 K364 V365 L381 | Y357-M361 HydrophobicContact CD2-CG 3.74Å; Y357-M361 HydrophobicContact CE1-CB 4.46Å; Y357-M361 HydrophobicContact CE1-CG 4.32Å; Y357-M361 HydrophobicContact CE2-CB 4.25Å; Y357-M361 HydrophobicContact CE2-CE 4.24Å; Y357-M361 HydrophobicContact CE2-CG 3.28Å; Y357-M361 HydrophobicContact CE2-SD 4.48Å; Y357-M361 HydrophobicContact CG-CG 4.44Å; Y357-M361 PolarHBondContact O-N 3.38Å; M361-A363 VanDerWaalsContact C-N 3.29Å; M361-A363 PolarHBondContact O-N 2.86Å; M361-K364 PolarHBondContact O-N 3.06Å; M361-K364 VanDerWaalsContact O-N 3.15Å; M361-K364 HydrophobicContact SD-CD 3.69Å; M361-V365 WeakPolarHBondContact O-CG2 3.5Å; M361-V365 PolarHBondContact O-N 2.88Å; M361-L381 HydrophobicContact CB-CD2 3.63Å |
| 362 | R | 90.3 | Very high | 87.9 | Confident | 68 Ų | 68 | 72.7 Ų | 72.7 | 26% | 0.257 | 38% | 0.381 | S | S | . | . | H | α-helix | trans | -60.3 | -39.1 | -178.5 | -175.6 | 179.7 | -147.4 | 82.2 | 5.3 | 112 | M358 V366 S374 I377 N378 L381 | M358-R362 WeakPolarHBondContact O-CB 3.41Å; M358-R362 PolarHBondContact O-N 3.32Å; R362-V366 HydrophobicContact CG-CG2 4.18Å; R362-V366 VanDerWaalsContact O-CB 3.23Å; R362-V366 WeakPolarHBondContact O-CB 3.32Å; R362-V366 WeakPolarHBondContact O-CG2 3.4Å; R362-V366 PolarHBondContact O-N 3.3Å; R362-S374 PolarHBondContact NH2-O 3.33Å; R362-S374 PolarHBondContact NH2-OG 3.12Å; R362-I377 HydrophobicContact CG-CG2 4.33Å; R362-N378 VanDerWaalsContact CZ-OD1 3.24Å; R362-N378 PolarHBondContact NH1-OD1 2.91Å; R362-N378 PolarHBondContact NH2-OD1 3.5Å; R362-L381 HydrophobicContact CB-CD1 3.97Å; R362-L381 HydrophobicContact CG-CD1 4.17Å |
| 363 | A | 88.8 | Confident | 87.5 | Confident | 72 Ų | 72 | 74.5 Ų | 74.5 | 60% | 0.595 | 39% | 0.386 | S | S | * | . | H | α-helix | trans | -64 | -43.8 | 176.7 | 0 | 0 | 0 | 0 | 0 | 111.7 | M361 V366 A367 | M361-A363 VanDerWaalsContact C-N 3.29Å; M361-A363 PolarHBondContact O-N 2.86Å; A363-V366 PolarHBondContact O-N 2.99Å; A363-A367 PolarHBondContact O-N 2.87Å; A363-A367 VanDerWaalsContact O-N 3.09Å |
| 364 | K | 90.2 | Very high | 87 | Confident | 89 Ų | 89 | 77.6 Ų | 77.6 | 39% | 0.387 | 41% | 0.408 | S | S | . | . | H | α-helix | trans | -63.9 | -49.8 | 179 | -46.4 | -172.8 | -160.2 | 172.5 | 0 | 110.9 | E360 M361 V366 A367 E368 | E360-K364 IonicContact OE1-NZ 2.68Å; E360-K364 PolarHBondContact OE1-NZ 3.31Å; M361-K364 PolarHBondContact O-N 3.06Å; M361-K364 VanDerWaalsContact O-N 3.15Å; M361-K364 HydrophobicContact SD-CD 3.69Å; K364-V366 VanDerWaalsContact C-N 3.3Å; K364-V366 PolarHBondContact O-N 3.36Å; K364-A367 PolarHBondContact O-N 2.85Å; K364-E368 WeakPolarHBondContact O-CB 3.24Å; K364-E368 VanDerWaalsContact O-CG 3.26Å; K364-E368 WeakPolarHBondContact O-CG 3.35Å; K364-E368 PolarHBondContact O-N 3.15Å |
| 365 | V | 86.2 | Confident | 86.8 | Confident | 1 Ų | 1 | 77.8 Ų | 77.8 | 1% | 0.006 | 42% | 0.42 | C | S | . | . | H | α-helix | trans | -65.2 | -28.5 | 176.7 | 176.3 | 0 | 0 | 0 | 0 | 112.9 | M361 C369 I377 I380 L381 K384 | M361-V365 WeakPolarHBondContact O-CG2 3.5Å; M361-V365 PolarHBondContact O-N 2.88Å; V365-C369 HydrophobicContact CG1-CB 4.5Å; V365-C369 WeakPolarHBondContact O-CB 3.35Å; V365-C369 PolarHBondContact O-N 3.09Å; V365-I377 HydrophobicContact CG1-CG2 4.23Å; V365-I380 HydrophobicContact CG1-CB 4.24Å; V365-I380 HydrophobicContact CG1-CG2 3.75Å; V365-L381 HydrophobicContact CB-CD2 4.21Å; V365-L381 HydrophobicContact CB-CG 4.47Å; V365-L381 HydrophobicContact CG1-CG 4.45Å; V365-L381 HydrophobicContact CG2-CD2 3.76Å; V365-L381 HydrophobicContact CG2-CG 4.37Å; V365-K384 HydrophobicContact CG2-CD 4.23Å |
| 366 | V | 87.6 | Confident | 86.5 | Confident | 78 Ų | 78 | 74.3 Ų | 74.3 | 47% | 0.473 | 41% | 0.406 | S | S | . | . | H | α-helix | trans | -73.7 | -27 | 173 | 165.2 | 0 | 0 | 0 | 0 | 112.6 | R362 A363 K364 I377 | R362-V366 HydrophobicContact CG-CG2 4.18Å; R362-V366 VanDerWaalsContact O-CB 3.23Å; R362-V366 WeakPolarHBondContact O-CB 3.32Å; R362-V366 WeakPolarHBondContact O-CG2 3.4Å; R362-V366 PolarHBondContact O-N 3.3Å; A363-V366 PolarHBondContact O-N 2.99Å; K364-V366 VanDerWaalsContact C-N 3.3Å; K364-V366 PolarHBondContact O-N 3.36Å; V366-I377 HydrophobicContact CG2-CD1 3.79Å; V366-I377 HydrophobicContact CG2-CG1 4.44Å; V366-I377 HydrophobicContact CG2-CG2 4.21Å |
| 367 | A | 87.4 | Confident | 86.2 | Confident | 87 Ų | 87 | 73.9 Ų | 73.9 | 72% | 0.719 | 40% | 0.404 | S | S | * | . | H | α-helix | trans | -82.1 | -38.9 | 172.2 | 0 | 0 | 0 | 0 | 0 | 112 | A363 K364 | A363-A367 PolarHBondContact O-N 2.87Å; A363-A367 VanDerWaalsContact O-N 3.09Å; K364-A367 PolarHBondContact O-N 2.85Å |
| 368 | E | 82.9 | Confident | 86.1 | Confident | 121 Ų | 121 | 77.1 Ų | 77.1 | 57% | 0.565 | 42% | 0.421 | S | S | * | . | H | α-helix | trans | -69.6 | -37 | 176.9 | -68.9 | 159 | -150.8 | 0 | 0 | 112.4 | K364 K384 | K364-E368 WeakPolarHBondContact O-CB 3.24Å; K364-E368 VanDerWaalsContact O-CG 3.26Å; K364-E368 WeakPolarHBondContact O-CG 3.35Å; K364-E368 PolarHBondContact O-N 3.15Å; E368-K384 IonicContact OE1-NZ 3.85Å; E368-K384 IonicContact OE2-NZ 3.08Å; E368-K384 PolarHBondContact OE2-NZ 3.26Å; E368-K384 VanDerWaalsContact OE2-NZ 3.08Å |
| 369 | C | 77.1 | Confident | 86.1 | Confident | 26 Ų | 26 | 81.5 Ų | 81.5 | 18% | 0.176 | 44% | 0.442 | C | S | . | . | | | trans | -103.3 | 114.7 | -174.8 | -166.3 | 0 | 0 | 0 | 0 | 111.8 | V365 L371 I380 | V365-C369 HydrophobicContact CG1-CB 4.5Å; V365-C369 WeakPolarHBondContact O-CB 3.35Å; V365-C369 PolarHBondContact O-N 3.09Å; C369-L371 PolarHBondContact O-N 3.03Å; C369-I380 HydrophobicContact CB-CD1 4.39Å |
| 370 | T | 72.4 | Confident | 86 | Confident | 134 Ų | 134 | 76.2 Ų | 76.2 | 82% | 0.822 | 42% | 0.42 | S | S | * | . | | | trans | -69.2 | -10.4 | 179.7 | 55.1 | 0 | 0 | 0 | 0 | 114.4 | K372 | T370-K372 PolarHBondContact O-N 2.78Š|
| 371 | L | 64.7 | Low | 86.1 | Confident | 85 Ų | 85 | 72.1 Ų | 72.1 | 45% | 0.445 | 40% | 0.401 | S | S | . | . | | | trans | -76.3 | 118.2 | 174.7 | -76.4 | 86.3 | 0 | 0 | 0 | 111 | C369 E373 A376 | C369-L371 PolarHBondContact O-N 3.03Å; L371-E373 PolarHBondContact O-N 3.26Å; L371-A376 HydrophobicContact CD2-CB 4.39Å |
| 372 | K | 76.8 | Confident | 86.3 | Confident | 205 Ų | 205 | 71.7 Ų | 71.7 | 89% | 0.891 | 40% | 0.404 | S | S | * | . | | | trans | -70.2 | 0.9 | 176.2 | -61.3 | 174.2 | -177.1 | 173.2 | 0 | 113.6 | T370 S374 | T370-K372 PolarHBondContact O-N 2.78Å; K372-S374 PolarHBondContact O-N 2.95Å |
| 373 | E | 86.3 | Confident | 86.5 | Confident | 125 Ų | 125 | 75.2 Ų | 75.2 | 58% | 0.584 | 42% | 0.417 | S | S | * | . | | | trans | -83.7 | 101.8 | -174 | -70.4 | 178.5 | -159.4 | 0 | 0 | 112.1 | L371 A375 A376 I377 | L371-E373 PolarHBondContact O-N 3.26Å; E373-A375 PolarHBondContact O-N 2.85Å; E373-A376 HydrophobicContact CB-CB 4.09Å; E373-A376 PolarHBondContact O-N 3.39Å; E373-I377 PolarHBondContact O-N 3.27Å |
| 374 | S | 85.9 | Confident | 86.8 | Confident | 67 Ų | 67 | 75.4 Ų | 75.4 | 47% | 0.469 | 41% | 0.405 | S | S | . | . | H | α-helix | trans | -52.5 | -25.6 | 176.6 | -165.3 | 0 | 0 | 0 | 0 | 113.7 | R362 K372 N378 | R362-S374 PolarHBondContact NH2-O 3.33Å; R362-S374 PolarHBondContact NH2-OG 3.12Å; K372-S374 PolarHBondContact O-N 2.95Å; S374-N378 WeakPolarHBondContact O-CB 3.45Å; S374-N378 PolarHBondContact O-N 3.24Å; S374-N378 VanDerWaalsContact O-N 3.09Å; S374-N378 PolarHBondContact O-ND2 2.77Å; S374-N378 PolarHBondContact O-OD1 2.94Å |
| 375 | A | 91 | Very high | 87 | Confident | 62 Ų | 62 | 71.9 Ų | 71.9 | 51% | 0.512 | 39% | 0.389 | S | S | . | . | H | α-helix | trans | -71.1 | -46.7 | 173.5 | 0 | 0 | 0 | 0 | 0 | 112.9 | E373 N378 Q379 | E373-A375 PolarHBondContact O-N 2.85Å; A375-N378 WeakPolarHBondContact O-CB 3.46Å; A375-N378 PolarHBondContact O-N 3.12Å; A375-Q379 WeakPolarHBondContact O-CG 3.39Å; A375-Q379 PolarHBondContact O-N 3.11Å; A375-Q379 VanDerWaalsContact O-N 3.16Å |
| 376 | A | 89.6 | Confident | 87.4 | Confident | 19 Ų | 19 | 78.4 Ų | 78.4 | 16% | 0.157 | 42% | 0.419 | C | S | . | . | H | α-helix | trans | -63.5 | -43.3 | 174.9 | 0 | 0 | 0 | 0 | 0 | 111.1 | L371 E373 N378 Q379 I380 | L371-A376 HydrophobicContact CD2-CB 4.39Å; E373-A376 HydrophobicContact CB-CB 4.09Å; E373-A376 PolarHBondContact O-N 3.39Å; A376-N378 VanDerWaalsContact C-N 3.3Å; A376-N378 PolarHBondContact O-N 3.13Å; A376-Q379 WeakPolarHBondContact O-CB 3.05Å; A376-Q379 PolarHBondContact O-N 3.28Å; A376-I380 WeakPolarHBondContact O-CG1 3.16Å; A376-I380 PolarHBondContact O-N 2.92Å |
| 377 | I | 87.6 | Confident | 87.9 | Confident | 9 Ų | 9 | 81.2 Ų | 81.2 | 5% | 0.046 | 43% | 0.431 | C | S | . | . | H | α-helix | trans | -57.3 | -41.2 | 174.4 | -68.4 | 155.3 | 0 | 0 | 0 | 111.5 | R362 V365 V366 E373 Q379 I380 L381 | R362-I377 HydrophobicContact CG-CG2 4.33Å; V365-I377 HydrophobicContact CG1-CG2 4.23Å; V366-I377 HydrophobicContact CG2-CD1 3.79Å; V366-I377 HydrophobicContact CG2-CG1 4.44Å; V366-I377 HydrophobicContact CG2-CG2 4.21Å; E373-I377 PolarHBondContact O-N 3.27Å; I377-Q379 PolarHBondContact O-N 2.92Å; I377-I380 PolarHBondContact O-N 3.4Å; I377-L381 HydrophobicContact CG2-CD1 3.81Å; I377-L381 HydrophobicContact CG2-CG 4.48Å; I377-L381 WeakPolarHBondContact O-CB 3.34Å; I377-L381 WeakPolarHBondContact O-CG 3.46Å; I377-L381 PolarHBondContact O-N 3.01Å |
| 378 | N | 92.6 | Very high | 88.2 | Confident | 71 Ų | 71 | 78.2 Ų | 78.2 | 38% | 0.38 | 40% | 0.403 | S | S | . | . | H | α-helix | trans | -64.1 | -37.5 | 175 | -74.9 | -12.6 | 0 | 0 | 0 | 112.8 | R362 S374 A375 A376 G382 | R362-N378 VanDerWaalsContact CZ-OD1 3.24Å; R362-N378 PolarHBondContact NH1-OD1 2.91Å; R362-N378 PolarHBondContact NH2-OD1 3.5Å; S374-N378 WeakPolarHBondContact O-CB 3.45Å; S374-N378 PolarHBondContact O-N 3.24Å; S374-N378 VanDerWaalsContact O-N 3.09Å; S374-N378 PolarHBondContact O-ND2 2.77Å; S374-N378 PolarHBondContact O-OD1 2.94Å; A375-N378 WeakPolarHBondContact O-CB 3.46Å; A375-N378 PolarHBondContact O-N 3.12Å; A376-N378 VanDerWaalsContact C-N 3.3Å; A376-N378 PolarHBondContact O-N 3.13Å; N378-G382 PolarHBondContact O-N 2.82Å |
| 379 | Q | 93.4 | Very high | 88.8 | Confident | 117 Ų | 117 | 74.6 Ų | 74.6 | 55% | 0.547 | 39% | 0.391 | S | S | . | . | H | α-helix | trans | -68.7 | -40.7 | 175.9 | -64.5 | 174.9 | 34.8 | 0 | 0 | 111.8 | A375 A376 I377 G382 R383 | A375-Q379 WeakPolarHBondContact O-CG 3.39Å; A375-Q379 PolarHBondContact O-N 3.11Å; A375-Q379 VanDerWaalsContact O-N 3.16Å; A376-Q379 WeakPolarHBondContact O-CB 3.05Å; A376-Q379 PolarHBondContact O-N 3.28Å; I377-Q379 PolarHBondContact O-N 2.92Å; Q379-G382 PolarHBondContact O-N 3.27Å; Q379-R383 PolarHBondContact O-N 2.99Å |
| 380 | I | 91.9 | Very high | 89.6 | Confident | 51 Ų | 51 | 83 Ų | 83 | 26% | 0.262 | 42% | 0.419 | S | S | . | . | H | α-helix | trans | -63.3 | -47.9 | 176 | -65.6 | 164.9 | 0 | 0 | 0 | 110.1 | V365 C369 A376 I377 G382 R383 K384 | V365-I380 HydrophobicContact CG1-CB 4.24Å; V365-I380 HydrophobicContact CG1-CG2 3.75Å; C369-I380 HydrophobicContact CB-CD1 4.39Å; A376-I380 WeakPolarHBondContact O-CG1 3.16Å; A376-I380 PolarHBondContact O-N 2.92Å; I377-I380 PolarHBondContact O-N 3.4Å; I380-G382 VanDerWaalsContact C-N 3.3Å; I380-G382 PolarHBondContact O-N 2.75Å; I380-R383 PolarHBondContact O-N 2.87Å; I380-K384 WeakPolarHBondContact O-CB 3.36Å; I380-K384 PolarHBondContact O-N 2.88Å |
| 381 | L | 94.5 | Very high | 90.6 | Very high | 0 Ų | 0 | 82.9 Ų | 82.9 | 0% | 0 | 41% | 0.409 | C | S | . | . | H | α-helix | trans | -61.1 | -38.2 | 174.6 | -72.8 | 164.7 | 0 | 0 | 0 | 112.1 | Y357 M358 M361 R362 V365 I377 K384 W385 | Y357-L381 HydrophobicContact CE1-CD2 4.4Å; M358-L381 HydrophobicContact CG-CB 4.24Å; M358-L381 HydrophobicContact CG-CD1 4.05Å; M358-L381 HydrophobicContact SD-CD1 4.22Å; M361-L381 HydrophobicContact CB-CD2 3.63Å; R362-L381 HydrophobicContact CB-CD1 3.97Å; R362-L381 HydrophobicContact CG-CD1 4.17Å; V365-L381 HydrophobicContact CB-CD2 4.21Å; V365-L381 HydrophobicContact CB-CG 4.47Å; V365-L381 HydrophobicContact CG1-CG 4.45Å; V365-L381 HydrophobicContact CG2-CD2 3.76Å; V365-L381 HydrophobicContact CG2-CG 4.37Å; I377-L381 HydrophobicContact CG2-CD1 3.81Å; I377-L381 HydrophobicContact CG2-CG 4.48Å; I377-L381 WeakPolarHBondContact O-CB 3.34Å; I377-L381 WeakPolarHBondContact O-CG 3.46Å; I377-L381 PolarHBondContact O-N 3.01Å; L381-K384 PolarHBondContact O-N 3.42Å; L381-W385 WeakPolarHBondContact O-CB 3.3Å; L381-W385 PolarHBondContact O-N 2.93Å |
| 382 | G | 95.3 | Very high | 92.1 | Very high | 18 Ų | 18 | 83.2 Ų | 83.2 | 19% | 0.186 | 41% | 0.408 | C | S | . | . | H | α-helix | trans | -60 | -48.3 | 173.7 | 0 | 0 | 0 | 0 | 0 | 112.4 | N378 Q379 I380 H386 | N378-G382 PolarHBondContact O-N 2.82Å; Q379-G382 PolarHBondContact O-N 3.27Å; I380-G382 VanDerWaalsContact C-N 3.3Å; I380-G382 PolarHBondContact O-N 2.75Å; G382-H386 PolarHBondContact O-N 3.39Å; G382-H386 PolarHBondContact O-ND1 3.06Å |
| 383 | R | 94.8 | Very high | 92.9 | Very high | 142 Ų | 142 | 75.2 Ų | 75.2 | 54% | 0.536 | 37% | 0.374 | S | S | . | . | H | α-helix | trans | -64.7 | -47.8 | 174.7 | -68.6 | -170.9 | -65.8 | -95.3 | 5.6 | 111.7 | Q379 I380 W385 H386 N387 | Q379-R383 PolarHBondContact O-N 2.99Å; I380-R383 PolarHBondContact O-N 2.87Å; R383-W385 PolarHBondContact O-N 2.92Å; R383-H386 PolarHBondContact O-N 2.94Å; R383-H386 VanDerWaalsContact O-N 3.11Å; R383-N387 PolarHBondContact O-N 3.19Å; R383-N387 VanDerWaalsContact O-N 3.08Å; R383-N387 PolarHBondContact O-OD1 3.21Å |
| 384 | K | 94.1 | Very high | 93.4 | Very high | 77 Ų | 77 | 71.3 Ų | 71.3 | 34% | 0.335 | 36% | 0.364 | S | S | . | . | H | α-helix | trans | -60.9 | -29.5 | -179.2 | -152.6 | 178.2 | -174.8 | 170.8 | 0 | 112.2 | Y357 V365 E368 I380 L381 L388 | Y357-K384 WeakPolarHBondContact OH-CB 3.26Å; Y357-K384 VanDerWaalsContact OH-CG 3.24Å; Y357-K384 WeakPolarHBondContact OH-CG 3.28Å; Y357-K384 PolarHBondContact OH-O 3.3Å; V365-K384 HydrophobicContact CG2-CD 4.23Å; E368-K384 IonicContact OE1-NZ 3.85Å; E368-K384 IonicContact OE2-NZ 3.08Å; E368-K384 PolarHBondContact OE2-NZ 3.26Å; E368-K384 VanDerWaalsContact OE2-NZ 3.08Å; I380-K384 WeakPolarHBondContact O-CB 3.36Å; I380-K384 PolarHBondContact O-N 2.88Å; L381-K384 PolarHBondContact O-N 3.42Å; K384-L388 WeakPolarHBondContact O-CG 3.46Å; K384-L388 PolarHBondContact O-N 2.97Å |
| 385 | W | 95.9 | Very high | 93.9 | Very high | 15 Ų | 15 | 74.2 Ų | 74.2 | 6% | 0.057 | 37% | 0.368 | C | S | . | . | H | α-helix | trans | -66.9 | -47.2 | 171.8 | 169.1 | -93.1 | 0 | 0 | 0 | 113.4 | A353 F354 Y357 L381 R383 N387 L388 Q393 Y396 Y397 | A353-W385 HydrophobicContact CB-CH2 3.71Å; A353-W385 HydrophobicContact CB-CZ2 4.29Å; F354-W385 HydrophobicContact CB-CD2 4.31Å; F354-W385 HydrophobicContact CD2-CB 3.69Å; F354-W385 AromaticContact CD2-CD2 3.8Å; F354-W385 HydrophobicContact CD2-CD2 3.8Å; F354-W385 HydrophobicContact CD2-CE3 4.15Å; F354-W385 AromaticContact CD2-CG 3.58Å; F354-W385 HydrophobicContact CD2-CG 3.58Å; F354-W385 HydrophobicContact CE2-CB 3.74Å; F354-W385 HydrophobicContact CE2-CG 4.13Å; Y357-W385 HydrophobicContact CD1-CB 4.02Å; Y357-W385 HydrophobicContact CD1-CD2 4.44Å; Y357-W385 AromaticContact CD1-CE3 3.7Å; Y357-W385 HydrophobicContact CD1-CE3 3.7Å; Y357-W385 HydrophobicContact CD2-CE3 4.23Å; Y357-W385 HydrophobicContact CE1-CB 3.82Å; Y357-W385 HydrophobicContact CE1-CE3 4.39Å; Y357-W385 AromaticContact CG-CE3 3.59Å; Y357-W385 HydrophobicContact CG-CE3 3.59Å; Y357-W385 HydrophobicContact CG-CZ3 4.11Å; L381-W385 WeakPolarHBondContact O-CB 3.3Å; L381-W385 PolarHBondContact O-N 2.93Å; R383-W385 PolarHBondContact O-N 2.92Å; W385-N387 PolarHBondContact O-N 3.5Å; W385-L388 HydrophobicContact CD2-CD1 4.41Å; W385-L388 HydrophobicContact CE3-CD1 3.69Å; W385-L388 HydrophobicContact CZ3-CD1 4.02Å; W385-L388 WeakPolarHBondContact O-CB 3.4Å; W385-L388 WeakPolarHBondContact O-CG 3.31Å; W385-L388 PolarHBondContact O-N 2.82Å; W385-Q393 HydrophobicContact CH2-CB 4.13Å; W385-Q393 HydrophobicContact CH2-CG 4.15Å; W385-Q393 HydrophobicContact CZ2-CB 4.22Å; W385-Q393 HydrophobicContact CZ2-CG 4.05Å; W385-Q393 HydrophobicContact CZ3-CG 4.49Å; W385-Y396 AromaticContact CZ3-CD2 3.85Å; W385-Y396 HydrophobicContact CZ3-CD2 3.85Å; W385-Y396 HydrophobicContact CZ3-CG 4.06Å; W385-Y397 HydrophobicContact CH2-CE2 4.34Å; W385-Y397 AromaticContact CZ2-CE2 3.99Å; W385-Y397 HydrophobicContact CZ2-CE2 3.99Å |
| 386 | H | 94.6 | Very high | 94.1 | Very high | 137 Ų | 137 | 72 Ų | 72 | 63% | 0.634 | 35% | 0.346 | S | S | * | . | H | α-helix | trans | -70.2 | -24.3 | 179.6 | -63.9 | 89.9 | 0 | 0 | 0 | 112.3 | G382 R383 L388 | G382-H386 PolarHBondContact O-N 3.39Å; G382-H386 PolarHBondContact O-ND1 3.06Å; R383-H386 PolarHBondContact O-N 2.94Å; R383-H386 VanDerWaalsContact O-N 3.11Å; H386-L388 VanDerWaalsContact C-N 3.33Å |
| 387 | N | 96.3 | Very high | 94.5 | Very high | 137 Ų | 137 | 76.9 Ų | 76.9 | 73% | 0.733 | 36% | 0.361 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -83.3 | -2.1 | 174.1 | -66.8 | 21.8 | 0 | 0 | 0 | 113.8 | R383 W385 | R383-N387 PolarHBondContact O-N 3.19Å; R383-N387 VanDerWaalsContact O-N 3.08Å; R383-N387 PolarHBondContact O-OD1 3.21Å; W385-N387 PolarHBondContact O-N 3.5Å |
| 388 | L | 93.9 | Very high | 94.9 | Very high | 24 Ų | 24 | 80 Ų | 80 | 13% | 0.126 | 38% | 0.376 | C | S | . | . | S | Bend | trans | -70.1 | 147.1 | 169.7 | -67.9 | 178.3 | 0 | 0 | 0 | 110.2 | Y357 K384 W385 H386 E392 Q393 Y396 | Y357-L388 HydrophobicContact CD2-CD1 3.82Å; Y357-L388 HydrophobicContact CE2-CD1 3.6Å; Y357-L388 HydrophobicContact CE2-CD2 3.96Å; Y357-L388 HydrophobicContact CE2-CG 4.14Å; Y357-L388 HydrophobicContact CG-CD1 4.43Å; K384-L388 WeakPolarHBondContact O-CG 3.46Å; K384-L388 PolarHBondContact O-N 2.97Å; W385-L388 HydrophobicContact CD2-CD1 4.41Å; W385-L388 HydrophobicContact CE3-CD1 3.69Å; W385-L388 HydrophobicContact CZ3-CD1 4.02Å; W385-L388 WeakPolarHBondContact O-CB 3.4Å; W385-L388 WeakPolarHBondContact O-CG 3.31Å; W385-L388 PolarHBondContact O-N 2.82Å; H386-L388 VanDerWaalsContact C-N 3.33Å; L388-E392 HydrophobicContact CB-CB 4.15Å; L388-E392 HydrophobicContact CD1-CB 4.47Å; L388-E392 HydrophobicContact CD2-CB 4.42Å; L388-Q393 HydrophobicContact CB-CG 3.72Å; L388-Q393 HydrophobicContact CD1-CG 4.14Å; L388-Q393 PolarHBondContact O-NE2 3.49Å; L388-Y396 HydrophobicContact CD1-CD2 4.34Å; L388-Y396 HydrophobicContact CD1-CE2 4.25Å |
| 389 | S | 96.9 | Very high | 95 | Very high | 46 Ų | 46 | 80.6 Ų | 80.6 | 32% | 0.322 | 38% | 0.379 | S | S | . | . | | | trans | -56.5 | 155.1 | 167.9 | 62.7 | 0 | 0 | 0 | 0 | 111.6 | E391 E392 Q393 | S389-E391 WeakPolarHBondContact CB-OE2 3.39Å; S389-E391 PolarHBondContact O-N 3.26Å; S389-E392 WeakPolarHBondContact CB-OE2 3.3Å; S389-E392 PolarHBondContact N-OE2 3.08Å; S389-E392 PolarHBondContact O-N 2.88Å; S389-E392 WeakPolarHBondContact OG-CB 3.44Å; S389-E392 VanDerWaalsContact OG-CD 3.29Å; S389-E392 WeakPolarHBondContact OG-CG 3.37Å; S389-E392 PolarHBondContact OG-N 3.45Å; S389-E392 PolarHBondContact OG-OE2 3.22Å; S389-Q393 WeakPolarHBondContact O-CG 3.36Å; S389-Q393 PolarHBondContact O-N 2.85Å |
| 390 | R | 93.8 | Very high | 95.2 | Very high | 203 Ų | 203 | 75.3 Ų | 75.3 | 77% | 0.766 | 36% | 0.355 | S | S | * | . | H | α-helix | trans | -63.4 | -27.2 | -179.2 | -175.7 | 178.5 | -175.2 | 173.5 | 0.5 | 110.9 | A394 | R390-A394 VanDerWaalsContact O-CB 3.23Å; R390-A394 WeakPolarHBondContact O-CB 3.33Å; R390-A394 PolarHBondContact O-N 2.99Å |
| 391 | E | 93.8 | Very high | 95.4 | Very high | 131 Ų | 131 | 79.1 Ų | 79.1 | 61% | 0.612 | 37% | 0.366 | S | S | * | . | H | α-helix | trans | -74.3 | -45.4 | -179.5 | -61.5 | 58.7 | -126.1 | 0 | 0 | 110.6 | S389 A394 K395 | S389-E391 WeakPolarHBondContact CB-OE2 3.39Å; S389-E391 PolarHBondContact O-N 3.26Å; E391-A394 PolarHBondContact O-N 2.89Å; E391-K395 PolarHBondContact O-N 2.94Å |
| 392 | E | 94.3 | Very high | 95.4 | Very high | 91 Ų | 91 | 85.7 Ų | 85.7 | 43% | 0.425 | 39% | 0.394 | S | S | . | . | H | α-helix | trans | -63.9 | -42.2 | 170.1 | -74.7 | 169 | 111.3 | 0 | 0 | 111.8 | L388 S389 A394 K395 Y396 | L388-E392 HydrophobicContact CB-CB 4.15Å; L388-E392 HydrophobicContact CD1-CB 4.47Å; L388-E392 HydrophobicContact CD2-CB 4.42Å; S389-E392 WeakPolarHBondContact CB-OE2 3.3Å; S389-E392 PolarHBondContact N-OE2 3.08Å; S389-E392 PolarHBondContact O-N 2.88Å; S389-E392 WeakPolarHBondContact OG-CB 3.44Å; S389-E392 VanDerWaalsContact OG-CD 3.29Å; S389-E392 WeakPolarHBondContact OG-CG 3.37Å; S389-E392 PolarHBondContact OG-N 3.45Å; S389-E392 PolarHBondContact OG-OE2 3.22Å; E392-A394 VanDerWaalsContact C-N 3.35Å; E392-K395 WeakPolarHBondContact O-CB 3.23Å; E392-K395 PolarHBondContact O-N 3.46Å; E392-Y396 WeakPolarHBondContact O-CD2 2.99Å; E392-Y396 PolarHBondContact O-N 3.2Å |
| 393 | Q | 95.1 | Very high | 95.4 | Very high | 38 Ų | 38 | 87.3 Ų | 87.3 | 18% | 0.178 | 40% | 0.397 | C | S | . | . | H | α-helix | trans | -61.7 | -44.8 | 174.2 | -67.8 | -175.8 | 54.6 | 0 | 0 | 110.6 | W385 L388 S389 K395 Y396 Y397 | W385-Q393 HydrophobicContact CH2-CB 4.13Å; W385-Q393 HydrophobicContact CH2-CG 4.15Å; W385-Q393 HydrophobicContact CZ2-CB 4.22Å; W385-Q393 HydrophobicContact CZ2-CG 4.05Å; W385-Q393 HydrophobicContact CZ3-CG 4.49Å; L388-Q393 HydrophobicContact CB-CG 3.72Å; L388-Q393 HydrophobicContact CD1-CG 4.14Å; L388-Q393 PolarHBondContact O-NE2 3.49Å; S389-Q393 WeakPolarHBondContact O-CG 3.36Å; S389-Q393 PolarHBondContact O-N 2.85Å; Q393-K395 VanDerWaalsContact C-N 3.33Å; Q393-K395 PolarHBondContact O-N 2.77Å; Q393-Y396 PolarHBondContact O-N 3.39Å; Q393-Y397 HydrophobicContact CB-CD2 4.38Å; Q393-Y397 HydrophobicContact CB-CE2 4.21Å; Q393-Y397 WeakPolarHBondContact O-CD2 3.43Å; Q393-Y397 PolarHBondContact O-N 3.35Å |
| 394 | A | 96.1 | Very high | 95.3 | Very high | 43 Ų | 43 | 88.2 Ų | 88.2 | 36% | 0.355 | 40% | 0.4 | S | S | . | . | H | α-helix | trans | -57.5 | -42 | 177.4 | 0 | 0 | 0 | 0 | 0 | 112.3 | R390 E391 E392 Y396 Y397 E398 | R390-A394 VanDerWaalsContact O-CB 3.23Å; R390-A394 WeakPolarHBondContact O-CB 3.33Å; R390-A394 PolarHBondContact O-N 2.99Å; E391-A394 PolarHBondContact O-N 2.89Å; E392-A394 VanDerWaalsContact C-N 3.35Å; A394-Y396 VanDerWaalsContact C-N 3.31Å; A394-Y396 PolarHBondContact O-N 3.22Å; A394-Y397 WeakPolarHBondContact O-CA 3.42Å; A394-Y397 WeakPolarHBondContact O-CB 3.08Å; A394-Y397 PolarHBondContact O-N 3.01Å; A394-E398 PolarHBondContact O-N 3.37Å |
| 395 | K | 96.1 | Very high | 95.3 | Very high | 127 Ų | 127 | 89.3 Ų | 89.3 | 55% | 0.552 | 41% | 0.407 | S | S | * | . | H | α-helix | trans | -52.2 | -47.8 | 171.3 | 178.9 | -174.1 | 178.3 | -176 | 0 | 111.6 | E391 E392 Q393 E398 L399 | E391-K395 PolarHBondContact O-N 2.94Å; E392-K395 WeakPolarHBondContact O-CB 3.23Å; E392-K395 PolarHBondContact O-N 3.46Å; Q393-K395 VanDerWaalsContact C-N 3.33Å; Q393-K395 PolarHBondContact O-N 2.77Å; K395-E398 PolarHBondContact O-N 3.28Å; K395-L399 HydrophobicContact CG-CD1 4.24Å; K395-L399 WeakPolarHBondContact O-CD1 3.48Å; K395-L399 PolarHBondContact O-N 2.88Å |
| 396 | Y | 96.1 | Very high | 95.2 | Very high | 17 Ų | 17 | 92.7 Ų | 92.7 | 7% | 0.067 | 43% | 0.426 | C | S | . | . | H | α-helix | trans | -71.2 | -29.4 | 177 | -67.1 | -71.4 | 0 | 0 | 0 | 113.5 | A353 L356 Y357 E360 W385 L388 E392 Q393 A394 A400 | A353-Y396 WeakPolarHBondContact CB-O 3.42Å; L356-Y396 HydrophobicContact CB-CD1 4.2Å; Y357-Y396 HydrophobicContact CD2-CD2 4.26Å; Y357-Y396 AromaticContact CD2-CE2 3.64Å; Y357-Y396 HydrophobicContact CD2-CE2 3.64Å; Y357-Y396 AromaticContact CD2-CZ 3.79Å; Y357-Y396 HydrophobicContact CE2-CE2 4.46Å; Y357-Y396 HydrophobicContact CG-CE2 4.46Å; E360-Y396 PolarHBondContact OE2-OH 2.78Å; W385-Y396 AromaticContact CZ3-CD2 3.85Å; W385-Y396 HydrophobicContact CZ3-CD2 3.85Å; W385-Y396 HydrophobicContact CZ3-CG 4.06Å; L388-Y396 HydrophobicContact CD1-CD2 4.34Å; L388-Y396 HydrophobicContact CD1-CE2 4.25Å; E392-Y396 WeakPolarHBondContact O-CD2 2.99Å; E392-Y396 PolarHBondContact O-N 3.2Å; Q393-Y396 PolarHBondContact O-N 3.39Å; A394-Y396 VanDerWaalsContact C-N 3.31Å; A394-Y396 PolarHBondContact O-N 3.22Å; Y396-A400 VanDerWaalsContact O-CB 3.28Å; Y396-A400 WeakPolarHBondContact O-CB 3.44Å; Y396-A400 PolarHBondContact O-N 3.05Å |
| 397 | Y | 96.9 | Very high | 95.1 | Very high | 120 Ų | 120 | 87.9 Ų | 87.9 | 47% | 0.471 | 40% | 0.403 | S | S | . | . | H | α-helix | trans | -66.2 | -41.7 | 171 | -78.3 | -72.1 | 0 | 0 | 0 | 112.3 | A353 W385 Q393 A394 A400 R401 | A353-Y397 HydrophobicContact CB-CD1 3.86Å; A353-Y397 HydrophobicContact CB-CE1 4.09Å; A353-Y397 HydrophobicContact CB-CG 4.08Å; W385-Y397 HydrophobicContact CH2-CE2 4.34Å; W385-Y397 AromaticContact CZ2-CE2 3.99Å; W385-Y397 HydrophobicContact CZ2-CE2 3.99Å; Q393-Y397 HydrophobicContact CB-CD2 4.38Å; Q393-Y397 HydrophobicContact CB-CE2 4.21Å; Q393-Y397 WeakPolarHBondContact O-CD2 3.43Å; Q393-Y397 PolarHBondContact O-N 3.35Å; A394-Y397 WeakPolarHBondContact O-CA 3.42Å; A394-Y397 WeakPolarHBondContact O-CB 3.08Å; A394-Y397 PolarHBondContact O-N 3.01Å; Y397-A400 PolarHBondContact O-N 3.09Å; Y397-R401 PolarHBondContact O-N 3.34Å |
| 398 | E | 96.6 | Very high | 94.9 | Very high | 76 Ų | 76 | 85.2 Ų | 85.2 | 36% | 0.355 | 40% | 0.396 | S | S | . | . | H | α-helix | trans | -67.1 | -41.8 | 175.4 | -69.1 | -51 | 139 | 0 | 0 | 112.3 | A394 K395 A400 R401 K402 | A394-E398 PolarHBondContact O-N 3.37Å; K395-E398 PolarHBondContact O-N 3.28Å; E398-A400 VanDerWaalsContact C-N 3.3Å; E398-A400 PolarHBondContact O-N 3.16Å; E398-R401 PolarHBondContact O-N 3.05Å; E398-R401 IonicContact OE1-CZ 3.27Å; E398-R401 VanDerWaalsContact OE1-CZ 3.27Å; E398-R401 IonicContact OE1-NH1 2.64Å; E398-R401 PolarHBondContact OE1-NH1 2.98Å; E398-R401 IonicContact OE1-NH2 3.45Å; E398-R401 PolarHBondContact OE1-NH2 2.95Å; E398-R401 IonicContact OE2-CZ 3.56Å; E398-R401 IonicContact OE2-NH1 2.73Å; E398-R401 PolarHBondContact OE2-NH1 3.3Å; E398-K402 WeakPolarHBondContact O-CG 3.41Å; E398-K402 PolarHBondContact O-N 3.42Å |
| 399 | L | 94.9 | Very high | 94.9 | Very high | 83 Ų | 83 | 91 Ų | 91 | 44% | 0.435 | 42% | 0.422 | S | S | . | . | H | α-helix | trans | -61.4 | -39.2 | 171.7 | -89.1 | 75.9 | 0 | 0 | 0 | 111.5 | L356 K395 K402 E403 | L356-L399 HydrophobicContact CD1-CB 3.8Å; K395-L399 HydrophobicContact CG-CD1 4.24Å; K395-L399 WeakPolarHBondContact O-CD1 3.48Å; K395-L399 PolarHBondContact O-N 2.88Å; L399-K402 PolarHBondContact O-N 3.06Å; L399-E403 VanDerWaalsContact O-CB 3.26Å; L399-E403 WeakPolarHBondContact O-CB 3.43Å; L399-E403 PolarHBondContact O-N 3.49Å |
| 400 | A | 96.6 | Very high | 94.6 | Very high | 5 Ų | 5 | 93.8 Ų | 93.8 | 4% | 0.041 | 43% | 0.432 | C | S | . | . | H | α-helix | trans | -70.3 | -28.3 | 176.4 | 0 | 0 | 0 | 0 | 0 | 113.6 | A353 L356 Y396 Y397 E398 R404 | A353-A400 HydrophobicContact CB-CB 4.14Å; L356-A400 HydrophobicContact CD1-CB 4Å; Y396-A400 VanDerWaalsContact O-CB 3.28Å; Y396-A400 WeakPolarHBondContact O-CB 3.44Å; Y396-A400 PolarHBondContact O-N 3.05Å; Y397-A400 PolarHBondContact O-N 3.09Å; E398-A400 VanDerWaalsContact C-N 3.3Å; E398-A400 PolarHBondContact O-N 3.16Å; A400-R404 VanDerWaalsContact O-CB 3.31Å; A400-R404 WeakPolarHBondContact O-CB 3.45Å; A400-R404 PolarHBondContact O-N 3.12Å; A400-R404 VanDerWaalsContact O-N 3.12Å |
| 401 | R | 96.4 | Very high | 94.3 | Very high | 132 Ų | 132 | 88.4 Ų | 88.4 | 50% | 0.498 | 41% | 0.413 | S | S | . | . | H | α-helix | trans | -68 | -49 | 170.5 | -172.4 | -175.5 | -69.7 | 146.4 | -0 | 110.2 | Y397 E398 R404 Q405 | Y397-R401 PolarHBondContact O-N 3.34Å; E398-R401 PolarHBondContact O-N 3.05Å; E398-R401 IonicContact OE1-CZ 3.27Å; E398-R401 VanDerWaalsContact OE1-CZ 3.27Å; E398-R401 IonicContact OE1-NH1 2.64Å; E398-R401 PolarHBondContact OE1-NH1 2.98Å; E398-R401 IonicContact OE1-NH2 3.45Å; E398-R401 PolarHBondContact OE1-NH2 2.95Å; E398-R401 IonicContact OE2-CZ 3.56Å; E398-R401 IonicContact OE2-NH1 2.73Å; E398-R401 PolarHBondContact OE2-NH1 3.3Å; R401-R404 PolarHBondContact O-N 3.27Å; R401-Q405 WeakPolarHBondContact O-CG 3.42Å; R401-Q405 PolarHBondContact O-N 3.09Å |
| 402 | K | 95.8 | Very high | 94.1 | Very high | 138 Ų | 138 | 87.3 Ų | 87.3 | 60% | 0.6 | 42% | 0.417 | S | S | * | . | H | α-helix | trans | -60.9 | -45.7 | 176.6 | -70.4 | 175.6 | -179.5 | -178.4 | 0 | 112.2 | E398 L399 R404 Q405 L406 | E398-K402 WeakPolarHBondContact O-CG 3.41Å; E398-K402 PolarHBondContact O-N 3.42Å; L399-K402 PolarHBondContact O-N 3.06Å; K402-R404 VanDerWaalsContact C-N 3.32Å; K402-R404 PolarHBondContact O-N 2.94Å; K402-Q405 PolarHBondContact O-N 3.18Å; K402-L406 VanDerWaalsContact O-CB 3.3Å; K402-L406 WeakPolarHBondContact O-CB 3.34Å; K402-L406 PolarHBondContact O-N 2.56Å |
| 403 | E | 94.2 | Very high | 93.7 | Very high | 51 Ų | 51 | 88.8 Ų | 88.8 | 24% | 0.238 | 43% | 0.433 | C | S | . | . | H | α-helix | trans | -59.5 | -40.2 | 175.1 | -179.5 | 66.1 | -112.7 | 0 | 0 | 112 | P350 L399 H407 | P350-E403 HydrophobicContact CB-CG 4.13Å; L399-E403 VanDerWaalsContact O-CB 3.26Å; L399-E403 WeakPolarHBondContact O-CB 3.43Å; L399-E403 PolarHBondContact O-N 3.49Å; E403-H407 WeakPolarHBondContact O-CB 3.45Å; E403-H407 PolarHBondContact O-N 3.06Å; E403-H407 PolarHBondContact O-ND1 3.39Å; E403-H407 IonicContact OE1-CE1 2.77Å; E403-H407 PolarHBondContact OE1-CE1 2.89Å; E403-H407 IonicContact OE1-ND1 2.69Å; E403-H407 PolarHBondContact OE1-ND1 3.48Å |
| 404 | R | 93.4 | Very high | 93.3 | Very high | 161 Ų | 161 | 90 Ų | 90 | 61% | 0.608 | 44% | 0.435 | S | S | * | . | H | α-helix | trans | -68.3 | -43 | 175.8 | -170.4 | -169.8 | -54.4 | -173.9 | 4.6 | 112.3 | P350 A400 R401 K402 S408 | P350-R404 HydrophobicContact CG-CB 4.46Å; P350-R404 HydrophobicContact CG-CG 4.25Å; A400-R404 VanDerWaalsContact O-CB 3.31Å; A400-R404 WeakPolarHBondContact O-CB 3.45Å; A400-R404 PolarHBondContact O-N 3.12Å; A400-R404 VanDerWaalsContact O-N 3.12Å; R401-R404 PolarHBondContact O-N 3.27Å; K402-R404 VanDerWaalsContact C-N 3.32Å; K402-R404 PolarHBondContact O-N 2.94Å; R404-S408 WeakPolarHBondContact O-CB 3.49Å; R404-S408 PolarHBondContact O-N 3.46Å |
| 405 | Q | 94.7 | Very high | 92.8 | Very high | 100 Ų | 100 | 90.1 Ų | 90.1 | 47% | 0.467 | 43% | 0.434 | S | S | . | . | H | α-helix | trans | -61.6 | -47.9 | 175.7 | -73.7 | 166.8 | -33.9 | 0 | 0 | 110.6 | R401 K402 S408 Q409 | R401-Q405 WeakPolarHBondContact O-CG 3.42Å; R401-Q405 PolarHBondContact O-N 3.09Å; K402-Q405 PolarHBondContact O-N 3.18Å; Q405-S408 WeakPolarHBondContact O-CB 3.41Å; Q405-S408 PolarHBondContact O-N 3.2Å; Q405-S408 VanDerWaalsContact O-N 3.12Å; Q405-Q409 WeakPolarHBondContact O-CG 3.16Å; Q405-Q409 PolarHBondContact O-N 3.33Å |
| 406 | L | 93.6 | Very high | 92.1 | Very high | 87 Ų | 87 | 86.1 Ų | 86.1 | 46% | 0.455 | 42% | 0.424 | S | S | . | . | H | α-helix | trans | -61.2 | -45.5 | 177.8 | -175.7 | 63.3 | 0 | 0 | 0 | 112 | K402 S408 Q409 L410 | K402-L406 VanDerWaalsContact O-CB 3.3Å; K402-L406 WeakPolarHBondContact O-CB 3.34Å; K402-L406 PolarHBondContact O-N 2.56Å; L406-S408 VanDerWaalsContact C-N 3.29Å; L406-S408 PolarHBondContact O-N 3.22Å; L406-Q409 PolarHBondContact O-N 3.08Å; L406-L410 HydrophobicContact CD1-CD1 4.12Å; L406-L410 HydrophobicContact CD1-CG 4.28Å; L406-L410 HydrophobicContact CG-CD1 3.87Å; L406-L410 HydrophobicContact CG-CG 4.44Å; L406-L410 WeakPolarHBondContact O-CB 3.18Å; L406-L410 WeakPolarHBondContact O-CG 3.23Å; L406-L410 PolarHBondContact O-N 3.38Å |
| 407 | H | 92.2 | Very high | 91.1 | Very high | 35 Ų | 35 | 95.4 Ų | 95.4 | 16% | 0.162 | 46% | 0.459 | C | S | . | . | H | α-helix | trans | -60 | -37.4 | 173 | -98.8 | 76.8 | 0 | 0 | 0 | 112.7 | P350 E403 Y411 | P350-H407 HydrophobicContact CB-CB 3.9Å; P350-H407 HydrophobicContact CG-CB 4.05Å; E403-H407 WeakPolarHBondContact O-CB 3.45Å; E403-H407 PolarHBondContact O-N 3.06Å; E403-H407 PolarHBondContact O-ND1 3.39Å; E403-H407 IonicContact OE1-CE1 2.77Å; E403-H407 PolarHBondContact OE1-CE1 2.89Å; E403-H407 IonicContact OE1-ND1 2.69Å; E403-H407 PolarHBondContact OE1-ND1 3.48Å; H407-Y411 AromaticContact CD2-CD2 3.86Å; H407-Y411 AromaticContact CD2-CE2 3.93Å; H407-Y411 WeakPolarHBondContact O-CB 3.49Å; H407-Y411 WeakPolarHBondContact O-CD2 3.49Å; H407-Y411 PolarHBondContact O-N 3.29Å |
| 408 | S | 92.3 | Very high | 90.3 | Very high | 82 Ų | 82 | 95 Ų | 95 | 57% | 0.573 | 47% | 0.465 | S | S | * | . | H | α-helix | trans | -71.3 | -29.5 | 177.7 | -162.6 | 0 | 0 | 0 | 0 | 113.1 | R404 Q405 L406 P412 | R404-S408 WeakPolarHBondContact O-CB 3.49Å; R404-S408 PolarHBondContact O-N 3.46Å; Q405-S408 WeakPolarHBondContact O-CB 3.41Å; Q405-S408 PolarHBondContact O-N 3.2Å; Q405-S408 VanDerWaalsContact O-N 3.12Å; L406-S408 VanDerWaalsContact C-N 3.29Å; L406-S408 PolarHBondContact O-N 3.22Å; S408-P412 WeakPolarHBondContact O-CA 3.45Å |
| 409 | Q | 92.1 | Very high | 89.4 | Confident | 145 Ų | 145 | 93.4 Ų | 93.4 | 68% | 0.678 | 46% | 0.459 | S | S | * | . | H | α-helix | trans | -77.6 | -43.5 | 174.9 | -69.1 | 167.4 | 22.4 | 0 | 0 | 111.7 | Q405 L406 Y411 | Q405-Q409 WeakPolarHBondContact O-CG 3.16Å; Q405-Q409 PolarHBondContact O-N 3.33Å; L406-Q409 PolarHBondContact O-N 3.08Å; Q409-Y411 VanDerWaalsContact C-N 3.34Å |
| 410 | L | 91.4 | Very high | 88.1 | Confident | 104 Ų | 104 | 93.3 Ų | 93.3 | 55% | 0.545 | 45% | 0.453 | S | S | . | . | H | α-helix | trans | -69 | -31.8 | 177.2 | -71.5 | 170.2 | 0 | 0 | 0 | 112.8 | L406 | L406-L410 HydrophobicContact CD1-CD1 4.12Å; L406-L410 HydrophobicContact CD1-CG 4.28Å; L406-L410 HydrophobicContact CG-CD1 3.87Å; L406-L410 HydrophobicContact CG-CG 4.44Å; L406-L410 WeakPolarHBondContact O-CB 3.18Å; L406-L410 WeakPolarHBondContact O-CG 3.23Å; L406-L410 PolarHBondContact O-N 3.38Å |
| 411 | Y | 87.3 | Confident | 86.6 | Confident | 91 Ų | 91 | 95.9 Ų | 95.9 | 36% | 0.357 | 48% | 0.481 | S | S | . | . | | | trans | -133.4 | 67.8 | -174.2 | -48.6 | -67.3 | 0 | 0 | 0 | 111.7 | V347 H407 Q409 T413 W414 | V347-Y411 HydrophobicContact CG1-CD1 4.42Å; V347-Y411 HydrophobicContact CG1-CD2 3.46Å; V347-Y411 VanDerWaalsContact CG1-CD2 3.46Å; V347-Y411 HydrophobicContact CG1-CE2 3.65Å; V347-Y411 HydrophobicContact CG1-CG 3.87Å; V347-Y411 HydrophobicContact CG2-CD1 3.71Å; V347-Y411 HydrophobicContact CG2-CD2 4.21Å; V347-Y411 HydrophobicContact CG2-CE1 3.63Å; V347-Y411 HydrophobicContact CG2-CE2 4.12Å; V347-Y411 HydrophobicContact CG2-CG 4Å; H407-Y411 AromaticContact CD2-CD2 3.86Å; H407-Y411 AromaticContact CD2-CE2 3.93Å; H407-Y411 WeakPolarHBondContact O-CB 3.49Å; H407-Y411 WeakPolarHBondContact O-CD2 3.49Å; H407-Y411 PolarHBondContact O-N 3.29Å; Q409-Y411 VanDerWaalsContact C-N 3.34Å; Y411-T413 PolarHBondContact O-N 3.24Å; Y411-T413 VanDerWaalsContact O-N 3.12Å; Y411-W414 WeakPolarHBondContact O-CB 3.06Å; Y411-W414 PolarHBondContact O-N 2.9Å |
| 412 | P | 89.3 | Confident | 85 | Confident | 107 Ų | 107 | 98.6 Ų | 98.6 | 70% | 0.695 | 50% | 0.496 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.9 | -21.7 | -177.4 | 25.5 | -35.1 | 0 | 0 | 0 | 113.6 | S408 W414 | S408-P412 WeakPolarHBondContact O-CA 3.45Å; P412-W414 VanDerWaalsContact C-N 3.33Å |
| 413 | T | 86.3 | Confident | 83.2 | Confident | 123 Ų | 123 | 100.4 Ų | 100.4 | 76% | 0.755 | 50% | 0.504 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -90 | 11.5 | 173.2 | 72.7 | 0 | 0 | 0 | 0 | 113.4 | Y411 | Y411-T413 PolarHBondContact O-N 3.24Å; Y411-T413 VanDerWaalsContact O-N 3.12Å |
| 414 | W | 87.3 | Confident | 81.5 | Confident | 63 Ų | 63 | 107.7 Ų | 107.7 | 24% | 0.239 | 54% | 0.535 | C | S | . | . | | | trans | -90.6 | 121.3 | -177.8 | -174.1 | 88.8 | 0 | 0 | 0 | 112 | V347 K349 Y411 P412 A416 N419 Y420 | V347-W414 VanDerWaalsContact CG1-CD1 3.45Å; V347-W414 HydrophobicContact CG1-CG 4.06Å; V347-W414 PolarHBondContact O-NE1 3.03Å; K349-W414 HydrophobicContact CB-CH2 4.07Å; K349-W414 HydrophobicContact CB-CZ2 4.16Å; K349-W414 HydrophobicContact CG-CH2 4.03Å; Y411-W414 WeakPolarHBondContact O-CB 3.06Å; Y411-W414 PolarHBondContact O-N 2.9Å; P412-W414 VanDerWaalsContact C-N 3.33Å; W414-A416 HydrophobicContact CH2-CB 3.69Å; W414-A416 HydrophobicContact CZ2-CB 4.42Å; W414-A416 HydrophobicContact CZ3-CB 4.03Å; W414-N419 PolarHBondContact NE1-ND2 3.46Å; W414-Y420 HydrophobicContact CZ2-CE2 4.13Å |
| 415 | S | 84.6 | Confident | 79.5 | Confident | 45 Ų | 45 | 109.7 Ų | 109.7 | 32% | 0.315 | 55% | 0.548 | S | S | . | . | | | trans | -122.9 | 130 | 175 | 159.4 | 0 | 0 | 0 | 0 | 110 | R417 D418 N419 | S415-R417 PolarHBondContact O-N 2.71Å; S415-R417 PolarHBondContact OG-N 2.69Å; S415-D418 WeakPolarHBondContact CB-OD2 3.25Å; S415-D418 PolarHBondContact O-N 3.46Å; S415-D418 PolarHBondContact OG-N 3.12Å; S415-D418 PolarHBondContact OG-OD2 3.14Å; S415-N419 VanDerWaalsContact O-CB 3.23Å; S415-N419 WeakPolarHBondContact O-CB 3.34Å; S415-N419 PolarHBondContact O-N 2.84Å; S415-N419 VanDerWaalsContact O-N 3.08Å |
| 416 | A | 82.1 | Confident | 77.6 | Confident | 43 Ų | 43 | 116.3 Ų | 116.3 | 36% | 0.355 | 57% | 0.569 | S | S | . | * | H | α-helix | trans | -62.5 | -28.3 | 175.3 | 0 | 0 | 0 | 0 | 0 | 112.5 | W414 Y420 | W414-A416 HydrophobicContact CH2-CB 3.69Å; W414-A416 HydrophobicContact CZ2-CB 4.42Å; W414-A416 HydrophobicContact CZ3-CB 4.03Å; A416-Y420 PolarHBondContact O-N 2.85Å |
| 417 | R | 76 | Confident | 75.6 | Confident | 213 Ų | 213 | 119.1 Ų | 119.1 | 80% | 0.804 | 58% | 0.577 | S | S | * | * | H | α-helix | trans | -68.3 | -46.9 | 179.5 | -173.2 | 176.9 | -176.2 | 163.8 | 0.1 | 110.7 | S415 G421 | S415-R417 PolarHBondContact O-N 2.71Å; S415-R417 PolarHBondContact OG-N 2.69Å; R417-G421 VanDerWaalsContact O-CA 3.25Å; R417-G421 WeakPolarHBondContact O-CA 3.48Å; R417-G421 PolarHBondContact O-N 3.29Å |
| 418 | D | 80 | Confident | 73.6 | Confident | 110 Ų | 110 | 128.3 Ų | 128.3 | 59% | 0.588 | 61% | 0.611 | S | S | * | * | H | α-helix | trans | -81.3 | -30.8 | -173.2 | -54.7 | -69.3 | 0 | 0 | 0 | 112.2 | S415 | S415-D418 WeakPolarHBondContact CB-OD2 3.25Å; S415-D418 PolarHBondContact O-N 3.46Å; S415-D418 PolarHBondContact OG-N 3.12Å; S415-D418 PolarHBondContact OG-OD2 3.14Å |
| 419 | N | 76.9 | Confident | 71.3 | Confident | 44 Ų | 44 | 130.1 Ų | 130.1 | 24% | 0.235 | 61% | 0.61 | C | S | . | * | H | α-helix | trans | -71.2 | -37.9 | 175.4 | -170.4 | -75.2 | 0 | 0 | 0 | 112.9 | H346 V347 W414 S415 | H346-N419 PolarHBondContact CE1-OD1 2.85Å; V347-N419 PolarHBondContact O-ND2 3.13Å; W414-N419 PolarHBondContact NE1-ND2 3.46Å; S415-N419 VanDerWaalsContact O-CB 3.23Å; S415-N419 WeakPolarHBondContact O-CB 3.34Å; S415-N419 PolarHBondContact O-N 2.84Å; S415-N419 VanDerWaalsContact O-N 3.08Å |
| 420 | Y | 68.4 | Low | 69.1 | Low | 80 Ų | 80 | 131.3 Ų | 131.3 | 31% | 0.314 | 61% | 0.613 | S | S | . | * | H | α-helix | trans | -112.9 | -14.4 | -174.3 | -65.8 | -68.8 | 0 | 0 | 0 | 116.1 | H346 K349 W414 A416 K422 | H346-Y420 AromaticContact CE1-CE1 3.86Å; K349-Y420 HydrophobicContact CB-CE2 3.97Å; K349-Y420 PolarHBondContact N-OH 3.11Å; K349-Y420 VanDerWaalsContact N-OH 3.09Å; W414-Y420 HydrophobicContact CZ2-CE2 4.13Å; A416-Y420 PolarHBondContact O-N 2.85Å; Y420-K422 PolarHBondContact O-N 3.12Å; Y420-K422 VanDerWaalsContact O-N 3.12Å |
| 421 | G | 64.5 | Low | 66.9 | Low | 60 Ų | 60 | 133.2 Ų | 133.2 | 62% | 0.619 | 62% | 0.619 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -65.9 | -14 | -172.3 | 0 | 0 | 0 | 0 | 0 | 116.1 | R417 K423 | R417-G421 VanDerWaalsContact O-CA 3.25Å; R417-G421 WeakPolarHBondContact O-CA 3.48Å; R417-G421 PolarHBondContact O-N 3.29Å; G421-K423 PolarHBondContact O-N 2.94Å; G421-K423 VanDerWaalsContact O-N 3.13Å |
| 422 | K | 63.2 | Low | 65 | Low | 188 Ų | 188 | 136.5 Ų | 136.5 | 82% | 0.817 | 64% | 0.642 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -78.9 | 13.4 | -175.3 | -60.5 | -178.9 | -176 | 174.3 | 0 | 114.7 | Y420 | Y420-K422 PolarHBondContact O-N 3.12Å; Y420-K422 VanDerWaalsContact O-N 3.12Å |
| 423 | K | 58 | Low | 62.6 | Low | 176 Ų | 176 | 134.5 Ų | 134.5 | 77% | 0.765 | 63% | 0.631 | S | S | * | * | S | Bend | trans | -92.8 | 109.3 | 178.1 | -73.6 | -175.3 | 176.6 | 179.3 | 0 | 111.9 | G421 K425 | G421-K423 PolarHBondContact O-N 2.94Å; G421-K423 VanDerWaalsContact O-N 3.13Å; K423-K425 PolarHBondContact O-N 3.1Å |
| 424 | K | 56.9 | Low | 60.7 | Low | 205 Ų | 205 | 135.3 Ų | 135.3 | 89% | 0.891 | 63% | 0.626 | S | S | * | * | | | trans | -42.2 | 123 | 173.3 | -178.7 | 176.6 | -178.9 | 175.4 | 0 | 111.5 | R426 | K424-R426 PolarHBondContact O-N 3.05Š|
| 425 | K | 52.5 | Low | 58.6 | Low | 203 Ų | 203 | 137.7 Ų | 137.7 | 88% | 0.883 | 65% | 0.647 | S | S | * | * | | | trans | -53.6 | 94.3 | 179.3 | -179 | 178.4 | 177.6 | -179.9 | 0 | 111 | K423 K427 | K423-K425 PolarHBondContact O-N 3.1Å; K425-K427 PolarHBondContact O-N 3.46Å; K425-K427 VanDerWaalsContact O-N 3.12Å |
| 426 | R | 55.3 | Low | 56.8 | Low | 239 Ų | 239 | 143.3 Ų | 143.3 | 90% | 0.902 | 67% | 0.669 | S | S | * | * | | | trans | -72 | 103.4 | 173.5 | 178.5 | 173 | 168.3 | 165.6 | -4.8 | 108.2 | K424 R428 | K424-R426 PolarHBondContact O-N 3.05Å; R426-R428 PolarHBondContact O-N 2.66Å |
| 427 | K | 51.5 | Low | 54.7 | Low | 145 Ų | 145 | 145.1 Ų | 145.1 | 63% | 0.63 | 68% | 0.679 | S | S | * | * | | | trans | -43.6 | 99.3 | 179.2 | -178.8 | 173.8 | 165.1 | 91.1 | 0 | 111.4 | K425 E429 | K425-K427 PolarHBondContact O-N 3.46Å; K425-K427 VanDerWaalsContact O-N 3.12Å; K427-E429 VanDerWaalsContact CE-CD 3.45Å; K427-E429 WeakPolarHBondContact CE-OE1 3.29Å; K427-E429 VanDerWaalsContact CE-OE2 3.29Å; K427-E429 WeakPolarHBondContact CE-OE2 3.15Å; K427-E429 HydrophobicContact CG-CB 3.66Å; K427-E429 IonicContact NZ-OE1 2.61Å; K427-E429 PolarHBondContact NZ-OE1 2.77Å; K427-E429 IonicContact NZ-OE2 2.66Å; K427-E429 PolarHBondContact NZ-OE2 3.22Å; K427-E429 PolarHBondContact O-N 3.25Å; K427-E429 VanDerWaalsContact O-N 3.1Å |
| 428 | R | 50.7 | Low | 53.2 | Low | 229 Ų | 229 | 143.1 Ų | 143.1 | 86% | 0.864 | 68% | 0.679 | S | S | * | * | | | trans | -85.9 | 67 | 177.5 | -168.9 | -172.3 | -177 | -173.1 | -0.5 | 109.3 | R426 | R426-R428 PolarHBondContact O-N 2.66Š|
| 429 | E | 43.5 | Very low | 51.7 | Low | 120 Ų | 120 | 146.8 Ų | 146.8 | 56% | 0.561 | 69% | 0.692 | S | S | * | * | | | trans | -130.5 | 15 | -170.2 | -152.6 | -176.7 | 102.4 | 0 | 0 | 111.9 | K427 | K427-E429 VanDerWaalsContact CE-CD 3.45Å; K427-E429 WeakPolarHBondContact CE-OE1 3.29Å; K427-E429 VanDerWaalsContact CE-OE2 3.29Å; K427-E429 WeakPolarHBondContact CE-OE2 3.15Å; K427-E429 HydrophobicContact CG-CB 3.66Å; K427-E429 IonicContact NZ-OE1 2.61Å; K427-E429 PolarHBondContact NZ-OE1 2.77Å; K427-E429 IonicContact NZ-OE2 2.66Å; K427-E429 PolarHBondContact NZ-OE2 3.22Å; K427-E429 PolarHBondContact O-N 3.25Å; K427-E429 VanDerWaalsContact O-N 3.1Å |
| 430 | K | 46.1 | Very low | 50 | Low | 170 Ų | 170 | 153.2 Ų | 153.2 | 74% | 0.739 | 72% | 0.721 | S | S | * | * | S | Bend | trans | -125.4 | 37.7 | -176.7 | -151.9 | -177.1 | -178.4 | -179.1 | 0 | 113.1 | | |
| 431 | Q | 45.5 | Very low | 48.9 | Very low | 144 Ų | 144 | 155.6 Ų | 155.6 | 67% | 0.673 | 74% | 0.744 | S | S | * | * | S | Bend | trans | -133.7 | -6.1 | 168.2 | -80 | -168.4 | -33.7 | 0 | 0 | 114 | | |
| 432 | L | 46.4 | Very low | 47.8 | Very low | 159 Ų | 159 | 162 Ų | 162 | 83% | 0.832 | 76% | 0.757 | S | S | * | * | S | Bend | trans | -90.5 | -37.1 | 163.1 | -73.6 | 161.6 | 0 | 0 | 0 | 110.7 | Q434 T435 | L432-Q434 PolarHBondContact O-N 2.61Å; L432-T435 PolarHBondContact O-N 3.27Å |
| 433 | S | 39.3 | Very low | 46.7 | Very low | 66 Ų | 66 | 162.5 Ų | 162.5 | 46% | 0.462 | 76% | 0.762 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -71.2 | 3.5 | -176.2 | 75 | 0 | 0 | 0 | 0 | 116.2 | | |
| 434 | Q | 45 | Very low | 45.7 | Very low | 139 Ų | 139 | 158.9 Ų | 158.9 | 65% | 0.65 | 77% | 0.765 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -109.3 | -20 | -178.9 | -168.4 | 166.9 | 10.8 | 0 | 0 | 112.7 | L432 | L432-Q434 PolarHBondContact O-N 2.61Š|
| 435 | T | 43.7 | Very low | 44.8 | Very low | 113 Ų | 113 | 158.4 Ų | 158.4 | 69% | 0.693 | 77% | 0.766 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -82.5 | -31 | 177.1 | -39.6 | 0 | 0 | 0 | 0 | 111.7 | L432 | L432-T435 PolarHBondContact O-N 3.27Š|
| 436 | Q | 46.3 | Very low | 43.9 | Very low | 163 Ų | 163 | 152 Ų | 152 | 76% | 0.762 | 76% | 0.758 | S | S | * | * | G | 310 helix | trans | -76.9 | -23.4 | -176.1 | -161.6 | 170.8 | 39.9 | 0 | 0 | 113.5 | Q438 | Q436-Q438 VanDerWaalsContact C-N 3.3Å; Q436-Q438 PolarHBondContact O-N 3.1Å |
| 437 | S | 39.2 | Very low | 42.8 | Very low | 82 Ų | 82 | 145.6 Ų | 145.6 | 57% | 0.573 | 76% | 0.756 | S | S | * | * | G | 310 helix | trans | -88.1 | 23.5 | -171.8 | 67.6 | 0 | 0 | 0 | 0 | 115 | | |
| 438 | Q | 45.1 | Very low | 42.1 | Very low | 171 Ų | 171 | 146.6 Ų | 146.6 | 80% | 0.799 | 77% | 0.768 | S | S | * | * | G | 310 helix | trans | -125.1 | -2.6 | 174.5 | -70.4 | -168.7 | 0 | 0 | 0 | 114.3 | Q436 | Q436-Q438 VanDerWaalsContact C-N 3.3Å; Q436-Q438 PolarHBondContact O-N 3.1Å |
| 439 | Q | 47.9 | Very low | 41.3 | Very low | 186 Ų | 186 | 140.1 Ų | 140.1 | 87% | 0.869 | 76% | 0.763 | S | S | * | * | S | Bend | trans | -104.3 | 5.6 | 177.1 | -79.3 | -179.5 | -32.2 | 0 | 0 | 114.3 | | |
| 440 | Q | 41.5 | Very low | 40.7 | Very low | 179 Ų | 179 | 139.3 Ų | 139.3 | 84% | 0.836 | 77% | 0.771 | S | S | * | * | S | Bend | trans | -122.7 | 43.7 | -177.5 | -154.9 | 173.8 | 35.7 | 0 | 0 | 113.5 | | |
| 441 | V | 45 | Very low | 40.1 | Very low | 131 Ų | 131 | 140.2 Ų | 140.2 | 79% | 0.794 | 77% | 0.774 | S | S | * | * | S | Bend | trans | -138.7 | 50.5 | 168.2 | -163 | 0 | 0 | 0 | 0 | 110.3 | | |
| 442 | Q | 42.1 | Very low | 39.6 | Very low | 195 Ų | 195 | 138.1 Ų | 138.1 | 91% | 0.911 | 78% | 0.776 | S | S | * | * | S | Bend | trans | -153.9 | 19.6 | 173.6 | -142.7 | 154.8 | 103.3 | 0 | 0 | 115.5 | | |
| 443 | E | 39.6 | Very low | 39.1 | Very low | 197 Ų | 197 | 140.3 Ų | 140.3 | 92% | 0.921 | 78% | 0.779 | S | S | * | * | S | Bend | trans | -145 | 68.5 | 175.4 | -162.3 | 179.7 | 166.4 | 0 | 0 | 110.1 | | |
| 444 | A | 36.8 | Very low | 39.1 | Very low | 100 Ų | 100 | 146.7 Ų | 146.7 | 83% | 0.826 | 80% | 0.798 | S | S | * | * | | | trans | -152 | 26 | -175.9 | 0 | 0 | 0 | 0 | 0 | 114.3 | | |
| 445 | E | 37.1 | Very low | 38.6 | Very low | 195 Ų | 195 | 145.8 Ų | 145.8 | 91% | 0.911 | 80% | 0.804 | S | S | * | * | S | Bend | trans | -139.7 | 118.3 | 166.4 | -101.8 | -59.2 | 149.6 | 0 | 0 | 107.4 | | |
| 446 | G | 33.9 | Very low | 37.8 | Very low | 68 Ų | 68 | 146.5 Ų | 146.5 | 70% | 0.701 | 81% | 0.812 | S | S | * | * | | | trans | 140.5 | 9.3 | -167.9 | 0 | 0 | 0 | 0 | 0 | 116.8 | L448 | G446-L448 PolarHBondContact O-N 2.77Å; G446-L448 VanDerWaalsContact O-N 3.1Å |
| 447 | A | 32.8 | Very low | 37 | Very low | 105 Ų | 105 | 144.7 Ų | 144.7 | 87% | 0.868 | 81% | 0.812 | S | S | * | * | | | trans | -84.3 | 75.4 | -177.4 | 0 | 0 | 0 | 0 | 0 | 113.5 | | |
| 448 | L | 36.5 | Very low | 36.5 | Very low | 167 Ų | 167 | 148.1 Ų | 148.1 | 87% | 0.874 | 82% | 0.819 | S | S | * | * | | | trans | -131.7 | 158.8 | 168.7 | -72.5 | 174.6 | 0 | 0 | 0 | 111.6 | G446 | G446-L448 PolarHBondContact O-N 2.77Å; G446-L448 VanDerWaalsContact O-N 3.1Å |
| 449 | A | 33.1 | Very low | 35.8 | Very low | 93 Ų | 93 | 150.5 Ų | 150.5 | 77% | 0.769 | 82% | 0.822 | S | S | * | * | | | trans | 75 | 70 | 176.2 | 0 | 0 | 0 | 0 | 0 | 119.1 | | |
| 450 | S | 32.7 | Very low | 35.1 | Very low | 103 Ų | 103 | 147.6 Ų | 147.6 | 72% | 0.72 | 81% | 0.812 | S | S | * | * | | | | 54.9 | 116.1 | 117.4 | -62.2 | 0 | 0 | 0 | 0 | 123.3 | | |
| 451 | K | 33.6 | Very low | 35.4 | Very low | 188 Ų | 188 | 144.8 Ų | 144.8 | 82% | 0.817 | 81% | 0.809 | S | S | * | * | | | | 66.9 | 95.8 | 124.5 | -60.3 | 175 | -178.6 | 174 | 0 | 121 | | |
| 452 | S | 34.1 | Very low | 35 | Very low | 101 Ų | 101 | 143.9 Ų | 143.9 | 71% | 0.706 | 81% | 0.806 | S | S | * | * | | | | 84.7 | 145.1 | 114.1 | 81.9 | 0 | 0 | 0 | 0 | 122.6 | | |
| 453 | K | 36.1 | Very low | 34.1 | Very low | 204 Ų | 204 | 142.2 Ų | 142.2 | 89% | 0.887 | 80% | 0.798 | S | S | * | * | | | trans | 81.8 | 128.6 | 156.3 | -66.8 | 173.5 | 179.9 | 178.3 | 0 | 119.9 | | |
| 454 | K | 39.7 | Very low | 33.9 | Very low | 201 Ų | 201 | 141.2 Ų | 141.2 | 87% | 0.874 | 79% | 0.791 | S | S | * | * | | | trans | -74.6 | 170.5 | 159.1 | -46 | 175.8 | -174.7 | -179.7 | 0 | 109.2 | | |
| 455 | P | 34.1 | Very low | 34.1 | Very low | 120 Ų | 120 | 141.7 Ų | 141.7 | 78% | 0.779 | 79% | 0.785 | S | S | * | * | | | cis | -126.8 | 179.3 | 4.1 | 41.8 | -26.8 | 0 | 0 | 0 | 114.5 | | |
| 456 | C | 26.2 | Very low | 33.7 | Very low | 127 Ų | 127 | 137.8 Ų | 137.8 | 86% | 0.858 | 78% | 0.778 | S | S | * | * | | | trans | -96.1 | 141.5 | 170.1 | -177.7 | 0 | 0 | 0 | 0 | 110.8 | | |
| 457 | V | 30 | Very low | 33.3 | Very low | 126 Ų | 126 | 141.8 Ų | 141.8 | 76% | 0.764 | 78% | 0.784 | S | S | * | * | | | trans | -137.7 | 135.5 | 173 | 175.7 | 0 | 0 | 0 | 0 | 110.1 | | |
| 458 | Q | 29.4 | Very low | 33.5 | Very low | 153 Ų | 153 | 141.9 Ų | 141.9 | 72% | 0.715 | 78% | 0.778 | S | S | * | * | | | trans | -7.9 | 126.8 | 163.4 | -148.1 | 85 | 12.7 | 0 | 0 | 119.2 | | |
| 459 | Y | 28.7 | Very low | 34.2 | Very low | 222 Ų | 222 | 139.9 Ų | 139.9 | 87% | 0.871 | 78% | 0.775 | S | S | * | * | | | | -153.1 | 167.8 | 125.5 | -142.3 | -101.5 | 0 | 0 | 0 | 113 | | |
| 460 | L | 34.8 | Very low | 33.9 | Very low | 125 Ų | 125 | 139.8 Ų | 139.8 | 65% | 0.654 | 77% | 0.774 | S | S | * | * | | | trans | -92.4 | 163.8 | -172.2 | -92.3 | 77.8 | 0 | 0 | 0 | 114.1 | | |
| 461 | P | 46.3 | Very low | 33.8 | Very low | 119 Ų | 119 | 140.2 Ų | 140.2 | 77% | 0.773 | 78% | 0.778 | S | S | * | * | | | trans | -91.1 | 163.2 | -175.3 | 37.5 | -37.4 | 0 | 0 | 0 | 114.5 | | |
| 462 | P | 36.5 | Very low | 33.8 | Very low | 112 Ų | 112 | 136 Ų | 136 | 73% | 0.727 | 77% | 0.771 | S | S | * | * | | | trans | -130.8 | 147.4 | 152.5 | 13.7 | 9.2 | 0 | 0 | 0 | 115.3 | | |
| 463 | E | 24.7 | Very low | 33.8 | Very low | 161 Ų | 161 | 140.2 Ų | 140.2 | 75% | 0.752 | 78% | 0.78 | S | S | * | * | | | trans | 57.2 | 105.3 | 140.8 | -52.5 | -42.3 | 86.7 | 0 | 0 | 123.8 | | |
| 464 | K | 35.6 | Very low | 33.8 | Very low | 176 Ų | 176 | 134.1 Ų | 134.1 | 77% | 0.765 | 78% | 0.775 | S | S | * | * | | | trans | -42.6 | 152.7 | 130.1 | 40.2 | 170.2 | 173.7 | 173.1 | 0 | 112.1 | | |
| 465 | P | 40.5 | Very low | 33.6 | Very low | 109 Ų | 109 | 129.5 Ų | 129.5 | 71% | 0.708 | 77% | 0.768 | S | S | * | * | | | | -158.3 | 174.6 | 58.4 | 44.5 | -23.9 | 0 | 0 | 0 | 119.4 | | |
| 466 | C | 28.8 | Very low | 33.8 | Very low | 113 Ų | 113 | 132.4 Ų | 132.4 | 76% | 0.764 | 77% | 0.773 | S | S | * | * | | | trans | 53.8 | 178.7 | 155.3 | -58 | 0 | 0 | 0 | 0 | 118.5 | | |
| 467 | D | 25.4 | Very low | 34.5 | Very low | 152 Ų | 152 | 133.8 Ų | 133.8 | 81% | 0.813 | 77% | 0.771 | S | S | * | * | | | cis | -144.3 | 169 | 2.8 | -115.4 | -48.5 | 0 | 0 | 0 | 110.8 | | |
| 468 | S | 36.3 | Very low | 34.6 | Very low | 107 Ų | 107 | 134.5 Ų | 134.5 | 75% | 0.748 | 77% | 0.771 | S | S | * | * | | | trans | -114.1 | 151.3 | 167.6 | -62.4 | 0 | 0 | 0 | 0 | 109.2 | | |
| 469 | P | 51 | Low | 35.1 | Very low | 125 Ų | 125 | 132.8 Ų | 132.8 | 81% | 0.812 | 78% | 0.776 | S | S | * | * | | | | -162.2 | -161.8 | 85.2 | 43.6 | -21.9 | 0 | 0 | 0 | 116.3 | | |
| 470 | A | 27.1 | Very low | 36.4 | Very low | 91 Ų | 91 | 127.6 Ų | 127.6 | 75% | 0.752 | 77% | 0.769 | S | S | * | * | | | trans | 77.2 | 126.5 | 162.9 | 0 | 0 | 0 | 0 | 0 | 116.7 | | |
| 471 | S | 30.9 | Very low | 36.2 | Very low | 113 Ų | 113 | 126 Ų | 126 | 79% | 0.79 | 78% | 0.775 | S | S | * | * | | | | 112.4 | 140.3 | 50.6 | -163.6 | 0 | 0 | 0 | 0 | 107.4 | | |
| 472 | S | 34 | Very low | 36 | Very low | 98 Ų | 98 | 126.3 Ų | 126.3 | 69% | 0.685 | 77% | 0.774 | S | S | * | * | | | cis | -155.8 | 174.3 | 15.7 | -161.8 | 0 | 0 | 0 | 0 | 112.5 | | |
| 473 | H | 33.6 | Very low | 36.8 | Very low | 190 Ų | 190 | 127.4 Ų | 127.4 | 88% | 0.88 | 78% | 0.781 | S | S | * | * | | | trans | 71.2 | 125.2 | 150.4 | -122.2 | -103.5 | 0 | 0 | 0 | 120.4 | | |
| 474 | G | 35.3 | Very low | 37.3 | Very low | 77 Ų | 77 | 124.9 Ų | 124.9 | 79% | 0.794 | 78% | 0.782 | S | S | * | * | | | trans | 163.5 | 39.5 | 174.1 | 0 | 0 | 0 | 0 | 0 | 116.1 | | |
| 475 | S | 36.8 | Very low | 37.1 | Very low | 103 Ų | 103 | 121.1 Ų | 121.1 | 72% | 0.72 | 78% | 0.783 | S | S | * | * | | | trans | -77.4 | 131.4 | -177.6 | -173 | 0 | 0 | 0 | 0 | 113 | | |
| 476 | M | 37.7 | Very low | 36.7 | Very low | 181 Ų | 181 | 119.7 Ų | 119.7 | 89% | 0.892 | 78% | 0.781 | S | S | * | * | | | trans | -141.8 | 138.1 | 155.7 | -92.8 | -80.1 | -76.6 | 0 | 0 | 107.3 | | |
| 477 | L | 41.9 | Very low | 37 | Very low | 157 Ų | 157 | 122.9 Ų | 122.9 | 82% | 0.822 | 79% | 0.789 | S | S | * | * | | | trans | -102.3 | 136.8 | -172.6 | -60.1 | 161.8 | 0 | 0 | 0 | 110.1 | | |
| 478 | D | 31.6 | Very low | 37.4 | Very low | 140 Ų | 140 | 119.9 Ų | 119.9 | 75% | 0.749 | 79% | 0.786 | S | S | * | * | | | | -169.2 | 148.3 | 110.7 | -170.2 | 32.3 | 0 | 0 | 0 | 111.5 | | |
| 479 | S | 40.1 | Very low | 37.2 | Very low | 117 Ų | 117 | 120.2 Ų | 120.2 | 82% | 0.818 | 79% | 0.788 | S | S | * | * | | | trans | -173.3 | 121 | 169.4 | -79.2 | 0 | 0 | 0 | 0 | 110.1 | | |
| 480 | P | 55.2 | Low | 37.1 | Very low | 113 Ų | 113 | 120.4 Ų | 120.4 | 73% | 0.734 | 79% | 0.789 | S | S | * | * | | | | -143.4 | 157.4 | 128.6 | 36.1 | -22.7 | 0 | 0 | 0 | 113.4 | | |
| 481 | A | 31.9 | Very low | 37.3 | Very low | 93 Ų | 93 | 120.5 Ų | 120.5 | 77% | 0.769 | 79% | 0.79 | S | S | * | * | | | cis | -164.3 | 158.1 | -20.9 | 0 | 0 | 0 | 0 | 0 | 108.4 | | |
| 482 | T | 40.3 | Very low | 37.6 | Very low | 124 Ų | 124 | 119.7 Ų | 119.7 | 76% | 0.761 | 79% | 0.79 | S | S | * | * | | | trans | -81 | 175.4 | 156.4 | 51.2 | 0 | 0 | 0 | 0 | 110 | | |
| 483 | P | 53.5 | Low | 38 | Very low | 135 Ų | 135 | 121.3 Ų | 121.3 | 88% | 0.877 | 80% | 0.798 | S | S | * | * | | | | -122.2 | 161.7 | 115 | 34.9 | -33.7 | 0 | 0 | 0 | 112.8 | | |
| 484 | S | 34.9 | Very low | 37.8 | Very low | 109 Ų | 109 | 117 Ų | 117 | 76% | 0.762 | 80% | 0.795 | S | S | * | * | | | trans | -123.4 | 137.8 | -173.9 | -179 | 0 | 0 | 0 | 0 | 111.9 | | |
| 485 | A | 32.3 | Very low | 37.8 | Very low | 96 Ų | 96 | 117.2 Ų | 117.2 | 79% | 0.793 | 79% | 0.789 | S | S | * | * | | | trans | -164 | 121.3 | 155.1 | 0 | 0 | 0 | 0 | 0 | 106 | | |
| 486 | A | 32.8 | Very low | 37.7 | Very low | 80 Ų | 80 | 118.9 Ų | 118.9 | 66% | 0.661 | 80% | 0.795 | S | S | * | * | | | cis | 67.3 | 93.3 | 25.8 | 0 | 0 | 0 | 0 | 0 | 114.3 | | |
| 487 | L | 35.4 | Very low | 37.4 | Very low | 180 Ų | 180 | 118.3 Ų | 118.3 | 94% | 0.942 | 79% | 0.79 | S | S | * | * | | | | -173.6 | 170.6 | 110.3 | -97.8 | 166.6 | 0 | 0 | 0 | 113.5 | | |
| 488 | A | 32.4 | Very low | 37.1 | Very low | 89 Ų | 89 | 115.1 Ų | 115.1 | 74% | 0.736 | 78% | 0.781 | S | S | * | * | | | trans | -68.4 | 157 | -166.3 | 0 | 0 | 0 | 0 | 0 | 117.2 | | |
| 489 | S | 31.5 | Very low | 37 | Very low | 114 Ų | 114 | 116.7 Ų | 116.7 | 80% | 0.797 | 78% | 0.784 | S | S | * | * | | | trans | -63.7 | 153.7 | 153.9 | -44.9 | 0 | 0 | 0 | 0 | 110.7 | | |
| 490 | P | 50.1 | Low | 36.6 | Very low | 129 Ų | 129 | 119.5 Ų | 119.5 | 84% | 0.838 | 78% | 0.784 | S | S | * | * | | | | -145.6 | -179 | 92.4 | 39.2 | -22.9 | 0 | 0 | 0 | 116.1 | | |
| 491 | A | 31.3 | Very low | 35.6 | Very low | 93 Ų | 93 | 119 Ų | 119 | 77% | 0.769 | 79% | 0.789 | S | S | * | * | | | trans | -46.8 | 148.2 | -171.9 | 0 | 0 | 0 | 0 | 0 | 120.3 | | |
| 492 | A | 36.5 | Very low | 35.5 | Very low | 95 Ų | 95 | 122.2 Ų | 122.2 | 79% | 0.785 | 79% | 0.789 | S | S | * | * | | | trans | 48.3 | 141.8 | 134.9 | 0 | 0 | 0 | 0 | 0 | 122.3 | | |
| 493 | P | 42.8 | Very low | 36 | Very low | 132 Ų | 132 | 121.6 Ų | 121.6 | 86% | 0.857 | 79% | 0.787 | S | S | * | * | | | trans | -136.4 | 153.2 | 134.9 | 38.2 | -26.9 | 0 | 0 | 0 | 115.6 | | |
| 494 | A | 28.9 | Very low | 35 | Very low | 100 Ų | 100 | 122.1 Ų | 122.1 | 83% | 0.826 | 78% | 0.781 | S | S | * | * | | | trans | -118.7 | 178.3 | 149.1 | 0 | 0 | 0 | 0 | 0 | 106.7 | | |
| 495 | A | 35.8 | Very low | 34.9 | Very low | 81 Ų | 81 | 122.9 Ų | 122.9 | 67% | 0.669 | 79% | 0.786 | S | S | * | * | | | cis | -160.6 | -147.5 | 17.7 | 0 | 0 | 0 | 0 | 0 | 110.2 | | |
| 496 | T | 34.2 | Very low | 35 | Very low | 138 Ų | 138 | 125.9 Ų | 125.9 | 85% | 0.847 | 79% | 0.789 | S | S | * | * | | | trans | 74 | 145.4 | 162.7 | 63.4 | 0 | 0 | 0 | 0 | 118.9 | | |
| 497 | H | 31.8 | Very low | 34.9 | Very low | 170 Ų | 170 | 127.6 Ų | 127.6 | 79% | 0.787 | 79% | 0.791 | S | S | * | * | | | cis | -166.8 | 172.4 | -15.5 | 173.8 | -88 | 0 | 0 | 0 | 110.2 | | |
| 498 | S | 34.8 | Very low | 34.8 | Very low | 89 Ų | 89 | 124.8 Ų | 124.8 | 62% | 0.622 | 78% | 0.781 | S | S | * | * | | | trans | 75.7 | 151.9 | 176.7 | -59 | 0 | 0 | 0 | 0 | 115.6 | | |
| 499 | E | 29.5 | Very low | 35 | Very low | 174 Ų | 174 | 129.8 Ų | 129.8 | 81% | 0.813 | 79% | 0.787 | S | S | * | * | | | cis | -141.6 | -170.9 | 2.4 | -159.2 | 149.9 | 78.6 | 0 | 0 | 112.8 | | |
| 500 | Q | 32.9 | Very low | 35.8 | Very low | 176 Ų | 176 | 130 Ų | 130 | 82% | 0.822 | 79% | 0.785 | S | S | * | * | | | trans | -63.9 | 144.3 | -170.7 | -54.8 | 161.4 | 13.5 | 0 | 0 | 116.2 | | |
| 501 | A | 34 | Very low | 34.9 | Very low | 102 Ų | 102 | 130.9 Ų | 130.9 | 84% | 0.843 | 78% | 0.778 | S | S | * | * | | | | -170 | 140.9 | 129.5 | 0 | 0 | 0 | 0 | 0 | 113.4 | | |
| 502 | Q | 30.8 | Very low | 34.9 | Very low | 161 Ų | 161 | 132.3 Ų | 132.3 | 75% | 0.752 | 78% | 0.777 | S | S | * | * | | | trans | -102 | 157.4 | 160.4 | -92.8 | -87.9 | -12.6 | 0 | 0 | 107 | | |
| 503 | P | 50.7 | Low | 34.8 | Very low | 111 Ų | 111 | 137 Ų | 137 | 72% | 0.721 | 78% | 0.775 | S | S | * | * | | | | -149.1 | 147.6 | 58.1 | 38.7 | -17.5 | 0 | 0 | 0 | 119.7 | | |
| 504 | L | 32.2 | Very low | 34.3 | Very low | 145 Ų | 145 | 134.5 Ų | 134.5 | 76% | 0.759 | 77% | 0.765 | S | S | * | * | | | trans | 48.9 | 127.4 | 132 | -55.7 | 172.9 | 0 | 0 | 0 | 121.1 | | |
| 505 | S | 32.4 | Very low | 34.4 | Very low | 125 Ų | 125 | 136.5 Ų | 136.5 | 87% | 0.874 | 76% | 0.758 | S | S | * | * | | | trans | -138.8 | 135.9 | 142.5 | -80.4 | 0 | 0 | 0 | 0 | 111.3 | | |
| 506 | L | 34 | Very low | 34.2 | Very low | 160 Ų | 160 | 140 Ų | 140 | 84% | 0.838 | 76% | 0.764 | S | S | * | * | | | trans | -54.5 | 133.6 | -174.1 | -56.6 | 165.6 | 0 | 0 | 0 | 111.1 | | |
| 507 | T | 30.5 | Very low | 33.9 | Very low | 116 Ų | 116 | 137.6 Ų | 137.6 | 71% | 0.712 | 76% | 0.758 | S | S | * | * | | | | 34 | 125.5 | 85 | -150 | 0 | 0 | 0 | 0 | 113.6 | | |
| 508 | T | 33.3 | Very low | 34 | Very low | 121 Ų | 121 | 136.7 Ų | 136.7 | 74% | 0.742 | 76% | 0.759 | S | S | * | * | | | cis | -144.1 | 155 | 47.6 | 52.1 | 0 | 0 | 0 | 0 | 116 | | |
| 509 | K | 36.4 | Very low | 34 | Very low | 194 Ų | 194 | 141.4 Ų | 141.4 | 84% | 0.843 | 77% | 0.77 | S | S | * | * | | | trans | -116.6 | 157.4 | 144.9 | -71.6 | -177 | 177.6 | 178.4 | 0 | 108.1 | | |
| 510 | P | 48.8 | Very low | 34.1 | Very low | 119 Ų | 119 | 138.5 Ų | 138.5 | 77% | 0.773 | 77% | 0.769 | S | S | * | * | | | | -119.3 | 153.2 | 95.7 | -3.5 | 25 | 0 | 0 | 0 | 111.5 | | |
| 511 | E | 31.2 | Very low | 34.2 | Very low | 146 Ų | 146 | 134.7 Ų | 134.7 | 68% | 0.682 | 77% | 0.767 | S | S | * | * | | | cis | 72.6 | 119 | 47.7 | -163.7 | 173.2 | 156 | 0 | 0 | 111.6 | | |
| 512 | T | 30.7 | Very low | 34.2 | Very low | 123 Ų | 123 | 134.3 Ų | 134.3 | 76% | 0.755 | 77% | 0.765 | S | S | * | * | | | | -133.1 | 151.4 | 56.9 | 34.1 | 0 | 0 | 0 | 0 | 113.4 | | |
| 513 | R | 35.7 | Very low | 34.1 | Very low | 194 Ų | 194 | 135.6 Ų | 135.6 | 73% | 0.732 | 77% | 0.768 | S | S | * | * | | | | 74 | 129.3 | 52.3 | -169.8 | -179.8 | -170.5 | 146.6 | 4.3 | 111.4 | | |
| 514 | A | 31.2 | Very low | 33.4 | Very low | 79 Ų | 79 | 137.4 Ų | 137.4 | 65% | 0.653 | 77% | 0.771 | S | S | * | * | | | cis | -163.3 | 177 | 13.2 | 0 | 0 | 0 | 0 | 0 | 110 | | |
| 515 | Q | 31.4 | Very low | 33.3 | Very low | 143 Ų | 143 | 135.6 Ų | 135.6 | 67% | 0.668 | 77% | 0.771 | S | S | * | * | | | cis | -171.2 | 146.6 | -19.7 | -100.9 | 167.3 | -115.3 | 0 | 0 | 109.5 | | |
| 516 | L | 30.9 | Very low | 33.2 | Very low | 154 Ų | 154 | 134.6 Ų | 134.6 | 81% | 0.806 | 77% | 0.77 | S | S | * | * | | | trans | 62.1 | 129.3 | 168.1 | -79.2 | 78.1 | 0 | 0 | 0 | 117.6 | | |
| 517 | A | 29.7 | Very low | 33 | Very low | 88 Ų | 88 | 136.1 Ų | 136.1 | 73% | 0.727 | 77% | 0.77 | S | S | * | * | | | | 79.4 | 129.7 | 56.1 | 0 | 0 | 0 | 0 | 0 | 112.8 | | |
| 518 | L | 33.4 | Very low | 33 | Very low | 151 Ų | 151 | 135 Ų | 135 | 79% | 0.791 | 77% | 0.772 | S | S | * | * | | | cis | -141.5 | 151.8 | 11.9 | -77.9 | 160.9 | 0 | 0 | 0 | 111.9 | | |
| 519 | H | 35.1 | Very low | 32.9 | Very low | 188 Ų | 188 | 133.9 Ų | 133.9 | 87% | 0.87 | 78% | 0.775 | S | S | * | * | | | | 172.1 | 171.4 | 125.8 | -86.5 | 152.5 | 0 | 0 | 0 | 111.9 | | |
| 520 | S | 31.8 | Very low | 32.7 | Very low | 113 Ų | 113 | 128.9 Ų | 128.9 | 79% | 0.79 | 77% | 0.77 | S | S | * | * | | | trans | -123.2 | 157 | -150.6 | -52.6 | 0 | 0 | 0 | 0 | 116.4 | | |
| 521 | A | 34.7 | Very low | 31.9 | Very low | 95 Ų | 95 | 128 Ų | 128 | 79% | 0.785 | 77% | 0.766 | S | S | * | * | | | trans | 93.3 | 135.8 | 142.5 | 0 | 0 | 0 | 0 | 0 | 121.1 | | |
| 522 | A | 32.4 | Very low | 32.1 | Very low | 95 Ų | 95 | 126.2 Ų | 126.2 | 79% | 0.785 | 77% | 0.77 | S | S | * | * | | | trans | 70.8 | 153.6 | 146 | 0 | 0 | 0 | 0 | 0 | 120.4 | | |
| 523 | F | 30.5 | Very low | 32.3 | Very low | 187 Ų | 187 | 125.9 Ų | 125.9 | 82% | 0.82 | 77% | 0.773 | S | S | * | * | | | cis | -168.7 | 155.5 | -40 | -145.3 | -132.9 | 0 | 0 | 0 | 107.5 | | |
| 524 | L | 35.2 | Very low | 32 | Very low | 149 Ų | 149 | 120.4 Ų | 120.4 | 78% | 0.78 | 78% | 0.777 | S | S | * | * | | | trans | 65.9 | 163.3 | 168.4 | -55.5 | -177.8 | 0 | 0 | 0 | 117.2 | | |
| 525 | S | 30 | Very low | 32.2 | Very low | 108 Ų | 108 | 124.9 Ų | 124.9 | 76% | 0.755 | 78% | 0.784 | S | S | * | * | | | cis | -170 | -174.5 | -33.8 | -170.2 | 0 | 0 | 0 | 0 | 109.1 | | |
| 526 | A | 30.6 | Very low | 32.2 | Very low | 104 Ų | 104 | 126.4 Ų | 126.4 | 86% | 0.86 | 79% | 0.794 | S | S | * | * | | | trans | 79.9 | 139 | 169.4 | 0 | 0 | 0 | 0 | 0 | 117.4 | | |
| 527 | K | 30.2 | Very low | 32.2 | Very low | 192 Ų | 192 | 122 Ų | 122 | 84% | 0.835 | 79% | 0.785 | S | S | * | * | | | trans | -135.4 | 129.7 | -166.3 | 161.3 | 76.9 | 174.9 | -172.1 | 0 | 107.7 | | |
| 528 | A | 29.3 | Very low | 32.3 | Very low | 91 Ų | 91 | 123 Ų | 123 | 75% | 0.752 | 79% | 0.787 | S | S | * | * | | | trans | -85.9 | 153.9 | 165.3 | 0 | 0 | 0 | 0 | 0 | 110.9 | | |
| 529 | A | 32 | Very low | 32.4 | Very low | 98 Ų | 98 | 123.7 Ų | 123.7 | 81% | 0.81 | 79% | 0.786 | S | S | * | * | | | trans | -143.9 | 156.1 | 172.6 | 0 | 0 | 0 | 0 | 0 | 109.7 | | |
| 530 | A | 32.5 | Very low | 33.6 | Very low | 90 Ų | 90 | 119.8 Ų | 119.8 | 74% | 0.744 | 78% | 0.778 | S | S | * | * | | | trans | -147.4 | 156.5 | -171.3 | 0 | 0 | 0 | 0 | 0 | 112.5 | | |
| 531 | S | 30.9 | Very low | 34.7 | Very low | 99 Ų | 99 | 119.4 Ų | 119.4 | 69% | 0.692 | 77% | 0.772 | S | S | * | * | | | trans | 36.8 | 134.7 | 146.3 | 60 | 0 | 0 | 0 | 0 | 122.4 | | |
| 532 | S | 35.8 | Very low | 34.6 | Very low | 110 Ų | 110 | 122 Ų | 122 | 77% | 0.769 | 77% | 0.773 | S | S | * | * | | | trans | 73.6 | 159.5 | 141.9 | 75.8 | 0 | 0 | 0 | 0 | 119.5 | | |
| 533 | S | 34.2 | Very low | 34.6 | Very low | 115 Ų | 115 | 124.7 Ų | 124.7 | 80% | 0.804 | 77% | 0.773 | S | S | * | * | | | cis | -177.8 | 147.1 | -35 | 57.3 | 0 | 0 | 0 | 0 | 111.7 | | |
| 534 | G | 31.2 | Very low | 34.6 | Very low | 80 Ų | 80 | 120.4 Ų | 120.4 | 83% | 0.825 | 77% | 0.766 | S | S | * | * | | | trans | 95.6 | 169.6 | 163.4 | 0 | 0 | 0 | 0 | 0 | 117 | | |
| 535 | Q | 34.4 | Very low | 34.5 | Very low | 172 Ų | 172 | 125 Ų | 125 | 80% | 0.804 | 77% | 0.773 | S | S | * | * | | | cis | -169.1 | 138.9 | -3.9 | 174.7 | 172.5 | 62.7 | 0 | 0 | 112.9 | | |
| 536 | M | 31.5 | Very low | 35.4 | Very low | 175 Ų | 175 | 125.1 Ų | 125.1 | 86% | 0.862 | 77% | 0.772 | S | S | * | * | | | trans | 59.5 | 156.7 | 160.7 | -71.9 | 159.8 | 52.8 | 0 | 0 | 120.6 | | |
| 537 | G | 30.1 | Very low | 35.5 | Very low | 61 Ų | 61 | 127.8 Ų | 127.8 | 63% | 0.629 | 77% | 0.771 | S | S | * | * | | | cis | 156.8 | 151.6 | -14.5 | 0 | 0 | 0 | 0 | 0 | 116.6 | | |
| 538 | S | 32.1 | Very low | 36.3 | Very low | 110 Ų | 110 | 123.6 Ų | 123.6 | 77% | 0.769 | 76% | 0.763 | S | S | * | * | | | trans | 74.3 | 156 | 164.6 | 86.4 | 0 | 0 | 0 | 0 | 118.4 | | |
| 539 | Q | 35.9 | Very low | 36.5 | Very low | 165 Ų | 165 | 127.6 Ų | 127.6 | 77% | 0.771 | 77% | 0.771 | S | S | * | * | | | cis | -141.2 | 166.1 | 1.9 | -80.6 | -60.3 | -12.7 | 0 | 0 | 111.8 | | |
| 540 | P | 60.3 | Low | 36.5 | Very low | 106 Ų | 106 | 126 Ų | 126 | 69% | 0.688 | 76% | 0.764 | S | S | * | * | | | trans | -87.1 | -158.4 | 169.7 | 38.7 | -31.9 | 0 | 0 | 0 | 111.5 | | |
| 541 | P | 55.7 | Low | 36.4 | Very low | 105 Ų | 105 | 127.4 Ų | 127.4 | 68% | 0.682 | 77% | 0.768 | S | S | * | * | | | cis | -156.1 | 179.3 | 17 | 46.4 | -23.4 | 0 | 0 | 0 | 122.7 | | |
| 542 | L | 32 | Very low | 36.8 | Very low | 151 Ų | 151 | 130.6 Ų | 130.6 | 79% | 0.791 | 77% | 0.774 | S | S | * | * | | | trans | 80.6 | 139 | 136.4 | -88.3 | 168.3 | 0 | 0 | 0 | 126.2 | | |
| 543 | L | 32.4 | Very low | 37.4 | Very low | 150 Ų | 150 | 131 Ų | 131 | 79% | 0.785 | 77% | 0.774 | S | S | * | * | | | trans | 72 | 156.9 | 156.6 | -59.8 | 172 | 0 | 0 | 0 | 120.6 | | |
| 544 | S | 30.7 | Very low | 37.4 | Very low | 98 Ų | 98 | 131.8 Ų | 131.8 | 69% | 0.685 | 78% | 0.775 | S | S | * | * | | | cis | -175.7 | 120.9 | -38.3 | -99.6 | 0 | 0 | 0 | 0 | 115.2 | | |
| 545 | R | 33.4 | Very low | 37.4 | Very low | 244 Ų | 244 | 131.9 Ų | 131.9 | 92% | 0.921 | 77% | 0.768 | S | S | * | * | | | trans | 58.1 | 175.7 | 155.7 | -90.9 | 173.4 | 92.4 | 145.9 | 0.8 | 118.9 | | |
| 546 | P | 47.2 | Very low | 37.3 | Very low | 112 Ų | 112 | 131.1 Ų | 131.1 | 73% | 0.727 | 77% | 0.768 | S | S | * | * | | | cis | -129.6 | -170.8 | -24 | 32.7 | -10.9 | 0 | 0 | 0 | 115.7 | | |
| 547 | L | 33.4 | Very low | 37.3 | Very low | 160 Ų | 160 | 130.2 Ų | 130.2 | 84% | 0.838 | 77% | 0.766 | S | S | * | * | | | trans | -64.8 | -178.8 | 170.2 | -61 | 170.5 | 0 | 0 | 0 | 113.6 | | |
| 548 | P | 48.2 | Very low | 37.5 | Very low | 103 Ų | 103 | 132.4 Ų | 132.4 | 67% | 0.669 | 78% | 0.778 | S | S | * | * | | | cis | -154.6 | -175.8 | 22.5 | 47.2 | -26 | 0 | 0 | 0 | 120.9 | | |
| 549 | L | 32.8 | Very low | 37.8 | Very low | 175 Ų | 175 | 132 Ų | 132 | 92% | 0.916 | 78% | 0.776 | S | S | * | * | | | trans | 59 | 149.8 | 152.8 | -71.3 | 154.1 | 0 | 0 | 0 | 120 | | |
| 550 | G | 31.1 | Very low | 38.1 | Very low | 66 Ų | 66 | 129.5 Ų | 129.5 | 68% | 0.68 | 77% | 0.774 | S | S | * | * | | | cis | 172.4 | -178.5 | -4.7 | 0 | 0 | 0 | 0 | 0 | 113.3 | | |
| 551 | S | 30.1 | Very low | 37.5 | Very low | 118 Ų | 118 | 130 Ų | 130 | 83% | 0.825 | 78% | 0.777 | S | S | * | * | | | trans | 80.3 | 147.3 | 172.1 | -151.5 | 0 | 0 | 0 | 0 | 120.8 | | |
| 552 | M | 39.7 | Very low | 36.4 | Very low | 166 Ų | 166 | 129.4 Ų | 129.4 | 82% | 0.818 | 78% | 0.775 | S | S | * | * | | | trans | -102.1 | 165.4 | 164.4 | -60.4 | -82.9 | 104.3 | 0 | 0 | 108.7 | | |
| 553 | P | 48.7 | Very low | 36.5 | Very low | 118 Ų | 118 | 130.9 Ų | 130.9 | 77% | 0.766 | 78% | 0.776 | S | S | * | * | | | | -150.4 | 164.9 | 77.1 | 39.7 | -20 | 0 | 0 | 0 | 118.1 | | |
| 554 | T | 33.8 | Very low | 37.3 | Very low | 133 Ų | 133 | 129.5 Ų | 129.5 | 82% | 0.816 | 78% | 0.776 | S | S | * | * | | | trans | 18.2 | 107.9 | 147.5 | -47.3 | 0 | 0 | 0 | 0 | 121.9 | | |
| 555 | A | 32.1 | Very low | 37.3 | Very low | 82 Ų | 82 | 129.4 Ų | 129.4 | 68% | 0.678 | 78% | 0.78 | S | S | * | * | | | trans | 30.5 | 132.3 | 136 | 0 | 0 | 0 | 0 | 0 | 122.9 | | |
| 556 | L | 32.4 | Very low | 37.2 | Very low | 156 Ų | 156 | 123.8 Ų | 123.8 | 82% | 0.817 | 77% | 0.774 | S | S | * | * | | | | -179.3 | 161.7 | 100.3 | -95.5 | 175.1 | 0 | 0 | 0 | 114.3 | | |
| 557 | L | 32 | Very low | 36.5 | Very low | 155 Ų | 155 | 125.6 Ų | 125.6 | 81% | 0.812 | 78% | 0.776 | S | S | * | * | | | trans | 57.5 | 109.7 | 151.6 | -75.7 | 160.9 | 0 | 0 | 0 | 122 | | |
| 558 | A | 33.1 | Very low | 36.5 | Very low | 108 Ų | 108 | 125.1 Ų | 125.1 | 89% | 0.893 | 77% | 0.769 | S | S | * | * | | | trans | -148 | 138.2 | 131.2 | 0 | 0 | 0 | 0 | 0 | 109.2 | | |
| 559 | S | 37.9 | Very low | 36.1 | Very low | 102 Ų | 102 | 124.6 Ų | 124.6 | 71% | 0.713 | 77% | 0.774 | S | S | * | * | | | trans | -113.3 | 169.5 | -178.4 | -156.2 | 0 | 0 | 0 | 0 | 110.4 | | |
| 560 | P | 43 | Very low | 36.3 | Very low | 112 Ų | 112 | 123.7 Ų | 123.7 | 73% | 0.727 | 77% | 0.765 | S | S | * | * | | | | -114.6 | 159.4 | 129.3 | 32.7 | -32 | 0 | 0 | 0 | 112.6 | | |
| 561 | P | 48.2 | Very low | 36.5 | Very low | 117 Ų | 117 | 129.4 Ų | 129.4 | 76% | 0.76 | 77% | 0.774 | S | S | * | * | | | trans | -101.6 | 179.3 | 172.3 | 6.9 | 17.5 | 0 | 0 | 0 | 110.9 | | |
| 562 | S | 32.7 | Very low | 36.5 | Very low | 92 Ų | 92 | 127.5 Ų | 127.5 | 64% | 0.643 | 77% | 0.765 | S | S | * | * | | | cis | -165.4 | 144.2 | -12.5 | -108 | 0 | 0 | 0 | 0 | 109.5 | | |
| 563 | F | 34.6 | Very low | 36.2 | Very low | 182 Ų | 182 | 127.3 Ų | 127.3 | 80% | 0.798 | 77% | 0.767 | S | S | * | * | | | | 34.7 | 153.2 | 123 | -67.7 | -63.2 | 0 | 0 | 0 | 122.2 | | |
| 564 | P | 48.9 | Very low | 36.4 | Very low | 121 Ų | 121 | 126.9 Ų | 126.9 | 79% | 0.786 | 76% | 0.764 | S | S | * | * | | | cis | -138.9 | 156.7 | 34.5 | 40.2 | -21.8 | 0 | 0 | 0 | 119.6 | | |
| 565 | A | 29.2 | Very low | 36.2 | Very low | 95 Ų | 95 | 126.9 Ų | 126.9 | 79% | 0.785 | 76% | 0.763 | S | S | * | * | | | trans | -136.3 | 118.3 | 151 | 0 | 0 | 0 | 0 | 0 | 108.7 | | |
| 566 | T | 31.4 | Very low | 36.2 | Very low | 127 Ų | 127 | 130.4 Ų | 130.4 | 78% | 0.779 | 77% | 0.77 | S | S | * | * | | | trans | -95.6 | 154.4 | 178 | 10.5 | 0 | 0 | 0 | 0 | 109.8 | | |
| 567 | L | 32.7 | Very low | 36.2 | Very low | 149 Ų | 149 | 131.9 Ų | 131.9 | 78% | 0.78 | 77% | 0.773 | S | S | * | * | | | cis | -132.8 | 141 | 1.2 | -86.7 | 166.5 | 0 | 0 | 0 | 107.4 | | |
| 568 | H | 33.6 | Very low | 36.4 | Very low | 150 Ų | 150 | 129 Ų | 129 | 69% | 0.694 | 77% | 0.771 | S | S | * | * | | | | 69 | 120.9 | 80.1 | -144.5 | 115.1 | 0 | 0 | 0 | 115.1 | H570 | H568-H570 AromaticContact NE2-CD2 3.44Å; H568-H570 PolarHBondContact NE2-CD2 3.36Å |
| 569 | A | 39.7 | Very low | 36.5 | Very low | 93 Ų | 93 | 132 Ų | 132 | 77% | 0.769 | 77% | 0.767 | S | S | * | * | | | trans | -148.3 | 106.6 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112.5 | | |
| 570 | H | 37.8 | Very low | 37.5 | Very low | 156 Ų | 156 | 131.9 Ų | 131.9 | 72% | 0.722 | 76% | 0.763 | S | S | * | * | | | trans | -154.6 | 155 | 179.4 | -74 | -18.8 | 0 | 0 | 0 | 107.6 | H568 | H568-H570 AromaticContact NE2-CD2 3.44Å; H568-H570 PolarHBondContact NE2-CD2 3.36Å |
| 571 | Q | 34 | Very low | 37 | Very low | 186 Ų | 186 | 133.5 Ų | 133.5 | 87% | 0.869 | 77% | 0.765 | S | S | * | * | | | cis | -150.8 | -168.5 | -30.9 | -151.2 | -172.3 | 79.2 | 0 | 0 | 106.6 | | |
| 572 | A | 31.5 | Very low | 36.7 | Very low | 78 Ų | 78 | 133 Ų | 133 | 65% | 0.645 | 77% | 0.765 | S | S | * | * | | | trans | -84.5 | 144.1 | -166.1 | 0 | 0 | 0 | 0 | 0 | 115.6 | | |
| 573 | L | 32.3 | Very low | 37.1 | Very low | 162 Ų | 162 | 135.6 Ų | 135.6 | 85% | 0.848 | 77% | 0.77 | S | S | * | * | | | trans | 48.4 | 163.1 | 133.1 | -66.1 | 176.2 | 0 | 0 | 0 | 121.8 | | |
| 574 | P | 53 | Low | 37.1 | Very low | 109 Ų | 109 | 132 Ų | 132 | 71% | 0.708 | 76% | 0.763 | S | S | * | * | | | cis | -127 | 176.9 | -21.1 | 37.6 | -22.5 | 0 | 0 | 0 | 113 | | |
| 575 | V | 31.2 | Very low | 36.7 | Very low | 132 Ų | 132 | 132.5 Ų | 132.5 | 80% | 0.8 | 76% | 0.764 | S | S | * | * | | | trans | 174.7 | 142.6 | 130.8 | 147.4 | 0 | 0 | 0 | 0 | 111.2 | | |
| 576 | L | 30.5 | Very low | 37.2 | Very low | 156 Ų | 156 | 137 Ų | 137 | 82% | 0.817 | 77% | 0.766 | S | S | * | * | | | trans | -4.4 | 138.7 | 163.8 | -49.3 | 174.7 | 0 | 0 | 0 | 117.9 | | |
| 577 | Q | 33.9 | Very low | 37.5 | Very low | 188 Ų | 188 | 135.6 Ų | 135.6 | 88% | 0.879 | 76% | 0.761 | S | S | * | * | | | | -172.1 | 163 | 75 | -179.2 | 165.6 | -29.3 | 0 | 0 | 112.6 | | |
| 578 | A | 35.3 | Very low | 38 | Very low | 93 Ų | 93 | 133 Ų | 133 | 77% | 0.769 | 76% | 0.761 | S | S | * | * | | | trans | 67.5 | 87.5 | 166.5 | 0 | 0 | 0 | 0 | 0 | 119.5 | | |
| 579 | Q | 34.6 | Very low | 38.8 | Very low | 173 Ų | 173 | 138 Ų | 138 | 81% | 0.808 | 78% | 0.784 | S | S | * | * | | | trans | -68.6 | 177.5 | 135.7 | -103.7 | -161.8 | 41.7 | 0 | 0 | 110.4 | | |
| 580 | P | 58.7 | Low | 38.8 | Very low | 99 Ų | 99 | 140.3 Ų | 140.3 | 64% | 0.643 | 79% | 0.785 | S | S | * | * | | | cis | -139.2 | 172.8 | 20.2 | 24.9 | 1.3 | 0 | 0 | 0 | 118 | | |
| 581 | L | 33.9 | Very low | 38.8 | Very low | 145 Ų | 145 | 139.5 Ų | 139.5 | 76% | 0.759 | 79% | 0.788 | S | S | * | * | | | trans | 44.6 | 143.7 | 144.1 | -59.5 | 165.1 | 0 | 0 | 0 | 120.5 | L583 | L581-L583 HydrophobicContact CD2-CD1 4.46Š|
| 582 | S | 42.2 | Very low | 39.1 | Very low | 108 Ų | 108 | 136.9 Ų | 136.9 | 76% | 0.755 | 78% | 0.784 | S | S | * | * | | | cis | -138.9 | 152.5 | 20.4 | 47.1 | 0 | 0 | 0 | 0 | 111.7 | | |
| 583 | L | 39.3 | Very low | 39.5 | Very low | 145 Ų | 145 | 140.4 Ų | 140.4 | 76% | 0.759 | 79% | 0.792 | S | S | * | * | | | | 73.5 | 137.3 | 54.8 | -123.7 | 179.7 | 0 | 0 | 0 | 114.4 | L581 | L581-L583 HydrophobicContact CD2-CD1 4.46Š|
| 584 | V | 35.8 | Very low | 40 | Very low | 108 Ų | 108 | 139 Ų | 139 | 66% | 0.655 | 79% | 0.789 | S | S | * | * | | | trans | 99.5 | 85.1 | 165.3 | -172.2 | 0 | 0 | 0 | 0 | 119.3 | | |
| 585 | T | 39.6 | Very low | 39.1 | Very low | 130 Ų | 130 | 141 Ų | 141 | 80% | 0.798 | 79% | 0.794 | S | S | * | * | | | trans | 67.7 | 166.9 | 141.7 | 71.9 | 0 | 0 | 0 | 0 | 118.6 | | |
| 586 | K | 41.2 | Very low | 39.7 | Very low | 190 Ų | 190 | 141.6 Ų | 141.6 | 83% | 0.826 | 79% | 0.794 | S | S | * | * | | | cis | -152.3 | 162.8 | 19 | -171.8 | 167.1 | 174.4 | -179.9 | 0 | 113.2 | | |
| 587 | S | 37.2 | Very low | 40.4 | Very low | 98 Ų | 98 | 140.5 Ų | 140.5 | 69% | 0.685 | 79% | 0.792 | S | S | * | * | | | trans | -12.4 | 136.1 | 162.6 | -115.5 | 0 | 0 | 0 | 0 | 116.7 | | |
| 588 | A | 43 | Very low | 40.9 | Very low | 93 Ų | 93 | 136.6 Ų | 136.6 | 77% | 0.769 | 79% | 0.785 | S | S | * | * | | | cis | 59.5 | 89 | 42.2 | 0 | 0 | 0 | 0 | 0 | 114.1 | | |
| 589 | H | 50.3 | Low | 41.4 | Very low | 257 Ų | 257 | 140.5 Ų | 140.5 | 100% | 1.19 | 79% | 0.786 | S | S | * | * | | | trans | -150.3 | 0 | 135.1 | -156.6 | -45.5 | 0 | 0 | 0 | 108.6 | | |