| 1 | M | 38.4 | Very low | 46.4 | Very low | 245 Ų | 245 | 160 Ų | 160 | 100% | 1.207 | 81% | 0.805 | S | S | * | * | | | | 0 | 143.4 | 0 | -64.2 | 179.1 | 171.9 | 0 | 0 | 106.6 | | |
| 2 | A | 42.7 | Very low | 46.3 | Very low | 94 Ų | 94 | 160.2 Ų | 160.2 | 78% | 0.777 | 80% | 0.801 | S | S | * | * | | | cis | -177.7 | 176.2 | -11.1 | 0 | 0 | 0 | 0 | 0 | 104 | | |
| 3 | E | 45.6 | Very low | 46.3 | Very low | 135 Ų | 135 | 160.8 Ų | 160.8 | 63% | 0.631 | 81% | 0.809 | S | S | * | * | | | trans | -64.2 | 169.1 | -178.8 | -58.6 | 178.6 | 134.4 | 0 | 0 | 112.9 | R5 | E3-R5 HydrophobicContact CB-CG 4.42Å; E3-R5 VanDerWaalsContact CD-NE 3.33Å; E3-R5 HydrophobicContact CG-CG 4.48Å; E3-R5 WeakPolarHBondContact OE1-CG 3.34Å; E3-R5 IonicContact OE1-CZ 3.6Å; E3-R5 IonicContact OE1-NE 2.91Å; E3-R5 PolarHBondContact OE1-NE 2.69Å; E3-R5 IonicContact OE1-NH2 2.69Å; E3-R5 VanDerWaalsContact OE2-CD 3.26Å; E3-R5 WeakPolarHBondContact OE2-CD 3.46Å; E3-R5 WeakPolarHBondContact OE2-CG 3.1Å; E3-R5 IonicContact OE2-CZ 3.79Å; E3-R5 IonicContact OE2-NE 3Å; E3-R5 PolarHBondContact OE2-NE 2.71Å |
| 4 | P | 53.7 | Low | 46 | Very low | 134 Ų | 134 | 161.1 Ų | 161.1 | 87% | 0.87 | 81% | 0.806 | S | S | * | * | | | | -122.5 | 161.3 | 92.5 | 36.9 | -34.1 | 0 | 0 | 0 | 115 | | |
| 5 | R | 45.8 | Very low | 46 | Very low | 184 Ų | 184 | 157.3 Ų | 157.3 | 69% | 0.694 | 81% | 0.809 | S | S | * | * | | | trans | -109.2 | -175.6 | -179.9 | -71.2 | 172.5 | 164.4 | -152.2 | -6.3 | 111.3 | E3 | E3-R5 HydrophobicContact CB-CG 4.42Å; E3-R5 VanDerWaalsContact CD-NE 3.33Å; E3-R5 HydrophobicContact CG-CG 4.48Å; E3-R5 WeakPolarHBondContact OE1-CG 3.34Å; E3-R5 IonicContact OE1-CZ 3.6Å; E3-R5 IonicContact OE1-NE 2.91Å; E3-R5 PolarHBondContact OE1-NE 2.69Å; E3-R5 IonicContact OE1-NH2 2.69Å; E3-R5 VanDerWaalsContact OE2-CD 3.26Å; E3-R5 WeakPolarHBondContact OE2-CD 3.46Å; E3-R5 WeakPolarHBondContact OE2-CG 3.1Å; E3-R5 IonicContact OE2-CZ 3.79Å; E3-R5 IonicContact OE2-NE 3Å; E3-R5 PolarHBondContact OE2-NE 2.71Å |
| 6 | Q | 48.1 | Very low | 45.7 | Very low | 184 Ų | 184 | 152.2 Ų | 152.2 | 86% | 0.86 | 81% | 0.807 | S | S | * | * | | | trans | 85.9 | 153.4 | 168.2 | -47.8 | 176.4 | 76.3 | 0 | 0 | 112 | | |
| 7 | E | 46.3 | Very low | 45.6 | Very low | 158 Ų | 158 | 150.5 Ų | 150.5 | 74% | 0.738 | 81% | 0.805 | S | S | * | * | | | cis | -144.2 | 165.9 | 22.1 | -63.9 | 164.2 | -146.5 | 0 | 0 | 113 | | |
| 8 | F | 38.8 | Very low | 45.2 | Very low | 183 Ų | 183 | 155.4 Ų | 155.4 | 80% | 0.803 | 81% | 0.812 | S | S | * | * | | | trans | 53.3 | 154.9 | 161.5 | 76.2 | -96.5 | 0 | 0 | 0 | 120.9 | | |
| 9 | E | 45.4 | Very low | 44.9 | Very low | 155 Ų | 155 | 151.6 Ų | 151.6 | 72% | 0.724 | 82% | 0.815 | S | S | * | * | | | cis | -145.9 | 178.5 | -3.4 | -141.6 | 168.1 | 149.5 | 0 | 0 | 111.3 | | |
| 10 | V | 50.6 | Low | 44.9 | Very low | 120 Ų | 120 | 153.3 Ų | 153.3 | 73% | 0.727 | 82% | 0.822 | S | S | * | * | | | trans | -119.9 | 141.2 | 178 | 179.2 | 0 | 0 | 0 | 0 | 109.5 | | |
| 11 | M | 54.6 | Low | 44.7 | Very low | 168 Ų | 168 | 149.7 Ų | 149.7 | 83% | 0.828 | 82% | 0.821 | S | S | * | * | | | trans | -146.8 | 126.7 | 159.6 | -104.6 | 148.4 | -137.7 | 0 | 0 | 111.3 | | |
| 12 | E | 45.8 | Very low | 44.8 | Very low | 162 Ų | 162 | 143.7 Ų | 143.7 | 76% | 0.757 | 79% | 0.794 | S | S | * | * | | | trans | -69.4 | 156.2 | 168.7 | -89.1 | 152 | 86.7 | 0 | 0 | 111.4 | | |
| 13 | D | 45.9 | Very low | 44.8 | Very low | 169 Ų | 169 | 148.7 Ų | 148.7 | 90% | 0.904 | 79% | 0.793 | S | S | * | * | | | trans | -134.5 | 135.2 | 166.5 | -142.4 | -17.1 | 0 | 0 | 0 | 109.5 | | |
| 14 | H | 43 | Very low | 44.6 | Very low | 165 Ų | 165 | 152 Ų | 152 | 76% | 0.764 | 81% | 0.805 | S | S | * | * | | | trans | -97.9 | 145.4 | -164.5 | -75.7 | -64.4 | 0 | 0 | 0 | 113.6 | | |
| 15 | A | 44.8 | Very low | 44 | Very low | 103 Ų | 103 | 152.5 Ų | 152.5 | 85% | 0.851 | 80% | 0.8 | S | S | * | * | | | trans | -75.4 | 148.1 | 170.6 | 0 | 0 | 0 | 0 | 0 | 112.5 | | |
| 16 | G | 41.6 | Very low | 43.6 | Very low | 76 Ų | 76 | 152.8 Ų | 152.8 | 78% | 0.784 | 81% | 0.81 | S | S | * | * | | | trans | -144.7 | 134.2 | 174.3 | 0 | 0 | 0 | 0 | 0 | 112.2 | | |
| 17 | T | 44 | Very low | 43.2 | Very low | 124 Ų | 124 | 148.1 Ų | 148.1 | 76% | 0.761 | 81% | 0.811 | S | S | * | * | | | trans | -137.7 | 121.7 | -167.8 | 56.6 | 0 | 0 | 0 | 0 | 113.2 | | |
| 18 | Y | 39.4 | Very low | 42.6 | Very low | 238 Ų | 238 | 143.9 Ų | 143.9 | 93% | 0.933 | 81% | 0.81 | S | S | * | * | | | trans | -173.3 | 155.2 | 155.1 | 41.3 | -109.3 | 0 | 0 | 0 | 112.8 | | |
| 19 | G | 37.8 | Very low | 42.3 | Very low | 84 Ų | 84 | 146.6 Ų | 146.6 | 87% | 0.866 | 82% | 0.816 | S | S | * | * | | | trans | 142.9 | 89.5 | 165.1 | 0 | 0 | 0 | 0 | 0 | 115.5 | | |
| 20 | L | 46.2 | Very low | 42.5 | Very low | 185 Ų | 185 | 144.5 Ų | 144.5 | 97% | 0.969 | 81% | 0.814 | S | S | * | * | | | trans | -110.7 | 144.1 | 173.1 | -166.4 | 75 | 0 | 0 | 0 | 110.2 | | |
| 21 | G | 39.6 | Very low | 42.2 | Very low | 77 Ų | 77 | 146.8 Ų | 146.8 | 79% | 0.794 | 82% | 0.819 | S | S | * | * | | | trans | -158.4 | 146.6 | -179.9 | 0 | 0 | 0 | 0 | 0 | 113.3 | | |
| 22 | D | 41 | Very low | 42.2 | Very low | 119 Ų | 119 | 146.4 Ų | 146.4 | 64% | 0.636 | 82% | 0.815 | S | S | * | * | | | trans | -117.8 | 146.1 | -152.9 | -129 | -43 | 0 | 0 | 0 | 114.9 | | |
| 23 | R | 43.3 | Very low | 41.9 | Very low | 199 Ų | 199 | 147.1 Ų | 147.1 | 75% | 0.751 | 82% | 0.818 | S | S | * | * | | | trans | 41.2 | 129.3 | 151.5 | -77 | 169.3 | -75.8 | 151 | -0.4 | 122.1 | | |
| 24 | K | 41.3 | Very low | 41.6 | Very low | 206 Ų | 206 | 146.7 Ų | 146.7 | 90% | 0.896 | 82% | 0.816 | S | S | * | * | | | | -172.7 | 150.1 | 107.5 | -105.5 | 172.3 | -178.6 | 178.2 | 0 | 115.3 | | |
| 25 | D | 40.2 | Very low | 41.5 | Very low | 144 Ų | 144 | 147 Ų | 147 | 77% | 0.77 | 82% | 0.817 | S | S | * | * | | | trans | -88.8 | 158.3 | -179.7 | -51.4 | -103.7 | 0 | 0 | 0 | 114.9 | | |
| 26 | Q | 38.7 | Very low | 41.2 | Very low | 190 Ų | 190 | 151 Ų | 151 | 89% | 0.888 | 82% | 0.819 | S | S | * | * | | | | 140.6 | 131.8 | 120.5 | -73 | -152.5 | 27 | 0 | 0 | 115.5 | | |
| 27 | G | 39.4 | Very low | 41 | Very low | 86 Ų | 86 | 150.9 Ų | 150.9 | 89% | 0.887 | 82% | 0.818 | S | S | * | * | | | trans | 68.6 | 147.2 | 146.1 | 0 | 0 | 0 | 0 | 0 | 119.2 | | |
| 28 | G | 33 | Very low | 40.9 | Very low | 69 Ų | 69 | 152.4 Ų | 152.4 | 71% | 0.711 | 82% | 0.821 | S | S | * | * | | | cis | 155 | 101.5 | -4.8 | 0 | 0 | 0 | 0 | 0 | 110.9 | | |
| 29 | Y | 33.6 | Very low | 41.2 | Very low | 240 Ų | 240 | 148 Ų | 148 | 94% | 0.941 | 82% | 0.819 | S | S | * | * | | | trans | -86.6 | 125.9 | 179.4 | -82.5 | -85.3 | 0 | 0 | 0 | 111.5 | | |
| 30 | T | 49.6 | Very low | 41.3 | Very low | 110 Ų | 110 | 151.4 Ų | 151.4 | 68% | 0.675 | 82% | 0.818 | S | S | * | * | | | trans | -82 | 148.9 | 173.6 | 83.3 | 0 | 0 | 0 | 0 | 110.5 | | |
| 31 | M | 43.7 | Very low | 40.9 | Very low | 168 Ų | 168 | 146.9 Ų | 146.9 | 83% | 0.828 | 81% | 0.807 | S | S | * | * | | | trans | -105.6 | 123.5 | 168.4 | -72.8 | -80.1 | -73.1 | 0 | 0 | 107.8 | | |
| 32 | H | 54.1 | Low | 40.6 | Very low | 161 Ų | 161 | 146.2 Ų | 146.2 | 75% | 0.745 | 80% | 0.8 | S | S | * | * | | | trans | -98.1 | 127.8 | 163.7 | -79.3 | -89.6 | 0 | 0 | 0 | 108.9 | | |
| 33 | Q | 40.2 | Very low | 40.5 | Very low | 176 Ų | 176 | 148.5 Ų | 148.5 | 82% | 0.822 | 81% | 0.811 | S | S | * | * | | | trans | -99.6 | 115.1 | 173.8 | -74 | 176.3 | -18.5 | 0 | 0 | 108.3 | | |
| 34 | D | 39.3 | Very low | 40.2 | Very low | 160 Ų | 160 | 148.4 Ų | 148.4 | 86% | 0.856 | 82% | 0.816 | S | S | * | * | | | trans | -104.3 | 110.8 | 164.7 | -60.1 | -31.6 | 0 | 0 | 0 | 106.7 | | |
| 35 | Q | 40.2 | Very low | 39.8 | Very low | 172 Ų | 172 | 147.9 Ų | 147.9 | 80% | 0.804 | 82% | 0.817 | S | S | * | * | | | trans | -127 | 140.9 | 173.1 | -128.9 | 175.1 | 5.6 | 0 | 0 | 111.4 | | |
| 36 | E | 38.3 | Very low | 39.7 | Very low | 187 Ų | 187 | 146.5 Ų | 146.5 | 87% | 0.874 | 82% | 0.818 | S | S | * | * | | | trans | -36.8 | 156.5 | 163.5 | -58.5 | 146.6 | -114 | 0 | 0 | 113.3 | | |
| 37 | G | 38.2 | Very low | 40.7 | Very low | 74 Ų | 74 | 142.7 Ų | 142.7 | 76% | 0.763 | 81% | 0.81 | S | S | * | * | | | cis | 167.1 | 173 | 9.1 | 0 | 0 | 0 | 0 | 0 | 110 | | |
| 38 | D | 41 | Very low | 40.3 | Very low | 155 Ų | 155 | 145.2 Ų | 145.2 | 83% | 0.829 | 80% | 0.802 | S | S | * | * | | | trans | -82.6 | 132.7 | -171.4 | -163.6 | -22.4 | 0 | 0 | 0 | 112.7 | | |
| 39 | T | 46.9 | Very low | 40.4 | Very low | 146 Ų | 146 | 149.2 Ų | 149.2 | 90% | 0.896 | 80% | 0.803 | S | S | * | * | | | trans | -171.7 | 151.6 | 144.5 | 9 | 0 | 0 | 0 | 0 | 113.4 | | |
| 40 | D | 40 | Very low | 40.4 | Very low | 156 Ų | 156 | 143.3 Ų | 143.3 | 83% | 0.834 | 79% | 0.792 | S | S | * | * | | | trans | -119.4 | 170.6 | -173.7 | 177.9 | 39.8 | 0 | 0 | 0 | 112.9 | | |
| 41 | A | 37.7 | Very low | 40.5 | Very low | 90 Ų | 90 | 143.4 Ų | 143.4 | 74% | 0.744 | 79% | 0.794 | S | S | * | * | | | trans | 73.1 | 147.7 | 172.4 | 0 | 0 | 0 | 0 | 0 | 117.8 | | |
| 42 | G | 32.7 | Very low | 40.2 | Very low | 63 Ų | 63 | 141.7 Ų | 141.7 | 65% | 0.649 | 79% | 0.793 | S | S | * | * | | | cis | 161.3 | 166.4 | -7.3 | 0 | 0 | 0 | 0 | 0 | 113.5 | | |
| 43 | L | 38.6 | Very low | 39.4 | Very low | 166 Ų | 166 | 143 Ų | 143 | 87% | 0.869 | 80% | 0.8 | S | S | * | * | | | trans | 69.7 | 121.7 | 177.5 | -46.3 | 177.9 | 0 | 0 | 0 | 114.4 | | |
| 44 | K | 38.5 | Very low | 39.3 | Very low | 198 Ų | 198 | 142.8 Ų | 142.8 | 86% | 0.861 | 81% | 0.805 | S | S | * | * | | | | 74.7 | 104.1 | 51.7 | -71.1 | -172.1 | 175 | -176.2 | 0 | 114.9 | | |
| 45 | E | 31.2 | Very low | 39 | Very low | 195 Ų | 195 | 138.1 Ų | 138.1 | 91% | 0.911 | 79% | 0.794 | S | S | * | * | | | trans | -159.9 | 145.4 | 141.2 | -137.3 | 171.6 | -161.1 | 0 | 0 | 114.3 | | |
| 46 | S | 39.3 | Very low | 38.8 | Very low | 114 Ų | 114 | 134.5 Ų | 134.5 | 80% | 0.797 | 79% | 0.788 | S | S | * | * | | | trans | 165.2 | 161.9 | 177.5 | -80.1 | 0 | 0 | 0 | 0 | 108.1 | | |
| 47 | P | 59.4 | Low | 38.7 | Very low | 110 Ų | 110 | 134 Ų | 134 | 71% | 0.714 | 79% | 0.786 | S | S | * | * | | | cis | -129.7 | -139.4 | -7.8 | 42.1 | -24.2 | 0 | 0 | 0 | 112.3 | | |
| 48 | L | 30.9 | Very low | 38.8 | Very low | 139 Ų | 139 | 139.3 Ų | 139.3 | 73% | 0.728 | 79% | 0.79 | S | S | * | * | | | trans | 101.1 | 137.9 | 164.7 | -56.3 | 175 | 0 | 0 | 0 | 117.3 | | |
| 49 | Q | 35.5 | Very low | 39.2 | Very low | 153 Ų | 153 | 137.9 Ų | 137.9 | 72% | 0.715 | 79% | 0.789 | S | S | * | * | | | cis | -170.8 | 138.6 | -24.5 | -135.1 | -178.2 | 0.4 | 0 | 0 | 113.6 | | |
| 50 | T | 33.2 | Very low | 38.4 | Very low | 116 Ų | 116 | 133.8 Ų | 133.8 | 71% | 0.712 | 78% | 0.777 | S | S | * | * | | | trans | 56.3 | 174.7 | 142.8 | 47.6 | 0 | 0 | 0 | 0 | 122 | | |
| 51 | P | 52.7 | Low | 38.3 | Very low | 113 Ų | 113 | 131.4 Ų | 131.4 | 73% | 0.734 | 77% | 0.772 | S | S | * | * | | | cis | -114.7 | -168.3 | -10.8 | 37.2 | -18.6 | 0 | 0 | 0 | 111.9 | | |
| 52 | T | 36.5 | Very low | 38.2 | Very low | 131 Ų | 131 | 134.6 Ų | 134.6 | 80% | 0.804 | 77% | 0.772 | S | S | * | * | | | cis | -149.2 | 168 | 14.3 | -40.3 | 0 | 0 | 0 | 0 | 110.7 | | |
| 53 | E | 37.8 | Very low | 38.4 | Very low | 190 Ų | 190 | 137.9 Ų | 137.9 | 89% | 0.888 | 78% | 0.779 | S | S | * | * | | | trans | -86.8 | 156.8 | 178.4 | -53.3 | 172.5 | 126 | 0 | 0 | 114.3 | | |
| 54 | D | 37.2 | Very low | 38.4 | Very low | 171 Ų | 171 | 134.6 Ų | 134.6 | 91% | 0.914 | 77% | 0.77 | S | S | * | * | | | trans | -157.2 | 162.4 | 132.4 | -152.1 | -10.7 | 0 | 0 | 0 | 110.2 | | |
| 55 | G | 33.5 | Very low | 38.2 | Very low | 62 Ų | 62 | 132.7 Ų | 132.7 | 64% | 0.639 | 77% | 0.769 | S | S | * | * | | | trans | -87.5 | -159 | -176.6 | 0 | 0 | 0 | 0 | 0 | 114.9 | | |
| 56 | S | 36.3 | Very low | 38.6 | Very low | 96 Ų | 96 | 128.4 Ų | 128.4 | 67% | 0.671 | 77% | 0.768 | S | S | * | * | | | cis | -165.1 | 170.7 | -11.6 | 52.5 | 0 | 0 | 0 | 0 | 109.3 | | |
| 57 | E | 35.4 | Very low | 38.5 | Very low | 177 Ų | 177 | 132.5 Ų | 132.5 | 83% | 0.827 | 77% | 0.771 | S | S | * | * | | | trans | 68.5 | 127.6 | 159.8 | -70.2 | 149.9 | -117.4 | 0 | 0 | 121.1 | | |
| 58 | E | 41.7 | Very low | 37.3 | Very low | 184 Ų | 184 | 132.2 Ų | 132.2 | 86% | 0.86 | 77% | 0.772 | S | S | * | * | | | trans | -85.8 | 159.3 | 147.7 | -67.1 | -165.1 | 156.6 | 0 | 0 | 109.4 | | |
| 59 | P | 48.5 | Very low | 37.9 | Very low | 125 Ų | 125 | 131.8 Ų | 131.8 | 81% | 0.812 | 78% | 0.775 | S | S | * | * | | | | -139.4 | 161.6 | 98.5 | 38.3 | -27.3 | 0 | 0 | 0 | 114.5 | | |
| 60 | G | 30.1 | Very low | 38.5 | Very low | 61 Ų | 61 | 130.5 Ų | 130.5 | 63% | 0.629 | 78% | 0.78 | S | S | * | * | | | trans | -100.9 | -157.9 | 172.1 | 0 | 0 | 0 | 0 | 0 | 114.3 | | |
| 61 | S | 37.9 | Very low | 38.5 | Very low | 105 Ų | 105 | 131.4 Ų | 131.4 | 73% | 0.734 | 79% | 0.785 | S | S | * | * | | | trans | 74.3 | 145.3 | -178.3 | 138.6 | 0 | 0 | 0 | 0 | 114.3 | | |
| 62 | E | 36.3 | Very low | 37.7 | Very low | 158 Ų | 158 | 130.7 Ų | 130.7 | 74% | 0.738 | 79% | 0.789 | S | S | * | * | | | cis | -164.2 | 169.4 | -4.8 | -120.5 | 166 | 118.4 | 0 | 0 | 111.8 | | |
| 63 | T | 35.3 | Very low | 37.9 | Very low | 131 Ų | 131 | 133.7 Ų | 133.7 | 80% | 0.804 | 79% | 0.794 | S | S | * | * | | | trans | 64.9 | 157.5 | 164.1 | 61.2 | 0 | 0 | 0 | 0 | 118.2 | | |
| 64 | S | 40.2 | Very low | 37.8 | Very low | 97 Ų | 97 | 129.2 Ų | 129.2 | 68% | 0.678 | 79% | 0.79 | S | S | * | * | | | cis | -151.5 | 156.4 | -10.2 | 28.1 | 0 | 0 | 0 | 0 | 113.3 | | |
| 65 | D | 34.5 | Very low | 38 | Very low | 158 Ų | 158 | 129.6 Ų | 129.6 | 85% | 0.845 | 79% | 0.786 | S | S | * | * | | | trans | 4 | 125 | 154.2 | -55.9 | -97.6 | 0 | 0 | 0 | 122 | | |
| 66 | A | 38.4 | Very low | 38.4 | Very low | 106 Ų | 106 | 135.2 Ų | 135.2 | 88% | 0.876 | 80% | 0.796 | S | S | * | * | | | trans | -156.6 | 79.2 | 138.9 | 0 | 0 | 0 | 0 | 0 | 113.1 | S68 | A66-S68 PolarHBondContact O-N 3.12Š|
| 67 | K | 36.9 | Very low | 38.5 | Very low | 199 Ų | 199 | 135.1 Ų | 135.1 | 87% | 0.865 | 80% | 0.8 | S | S | * | * | | | trans | -38.9 | 124.5 | 164.2 | 167.5 | -166.8 | 174.8 | -176.6 | 0 | 114.2 | | |
| 68 | S | 34.1 | Very low | 38.4 | Very low | 105 Ų | 105 | 130.4 Ų | 130.4 | 73% | 0.734 | 80% | 0.799 | S | S | * | * | | | | 178.9 | 124.5 | 122.6 | -75.5 | 0 | 0 | 0 | 0 | 113.2 | A66 | A66-S68 PolarHBondContact O-N 3.12Š|
| 69 | T | 43.6 | Very low | 38.5 | Very low | 129 Ų | 129 | 130.5 Ų | 130.5 | 79% | 0.791 | 80% | 0.804 | S | S | * | * | | | trans | -84.6 | 164.8 | 152.5 | 49.8 | 0 | 0 | 0 | 0 | 109.6 | | |
| 70 | P | 47.8 | Very low | 38 | Very low | 127 Ų | 127 | 128 Ų | 128 | 83% | 0.825 | 80% | 0.8 | S | S | * | * | | | | -136.3 | 157.4 | 110.2 | 38.1 | -29.8 | 0 | 0 | 0 | 114.6 | | |
| 71 | T | 34.4 | Very low | 38.4 | Very low | 134 Ų | 134 | 132.5 Ų | 132.5 | 82% | 0.822 | 81% | 0.81 | S | S | * | * | | | trans | -77.7 | 140.6 | 172.4 | -53.6 | 0 | 0 | 0 | 0 | 112 | | |
| 72 | A | 34.8 | Very low | 38.7 | Very low | 99 Ų | 99 | 134 Ų | 134 | 82% | 0.818 | 82% | 0.815 | S | S | * | * | | | trans | -160.7 | 142.4 | 147.7 | 0 | 0 | 0 | 0 | 0 | 110.5 | | |
| 73 | E | 40.6 | Very low | 39.4 | Very low | 193 Ų | 193 | 132 Ų | 132 | 90% | 0.902 | 82% | 0.816 | S | S | * | * | | | trans | -107.4 | 145 | 171.4 | -59.9 | 178.3 | 136.5 | 0 | 0 | 109.4 | | |
| 74 | A | 36.1 | Very low | 39.6 | Very low | 97 Ų | 97 | 129.9 Ų | 129.9 | 80% | 0.802 | 81% | 0.806 | S | S | * | * | | | trans | -162.9 | 112.3 | 165.1 | 0 | 0 | 0 | 0 | 0 | 113.3 | | |
| 75 | E | 41.4 | Very low | 39.9 | Very low | 178 Ų | 178 | 133.4 Ų | 133.4 | 83% | 0.832 | 82% | 0.817 | S | S | * | * | | | trans | 32.7 | 118.5 | 133.3 | -60.1 | -71.6 | 79.3 | 0 | 0 | 122.3 | | |
| 76 | E | 42.1 | Very low | 40.4 | Very low | 181 Ų | 181 | 134.1 Ų | 134.1 | 85% | 0.846 | 82% | 0.815 | S | S | * | * | | | trans | 60.9 | 161.5 | 130.9 | -122.4 | -148.2 | 132.5 | 0 | 0 | 125.1 | | |
| 77 | A | 38.9 | Very low | 40.8 | Very low | 93 Ų | 93 | 136.6 Ų | 136.6 | 77% | 0.769 | 81% | 0.813 | S | S | * | * | | | trans | 65.9 | 99.4 | 164.8 | 0 | 0 | 0 | 0 | 0 | 119.3 | | |
| 78 | G | 32.9 | Very low | 41.4 | Very low | 78 Ų | 78 | 134.8 Ų | 134.8 | 80% | 0.804 | 81% | 0.808 | S | S | * | * | | | trans | -163.3 | 84.9 | 173.6 | 0 | 0 | 0 | 0 | 0 | 114.3 | | |
| 79 | I | 44.7 | Very low | 41.6 | Very low | 187 Ų | 187 | 134.4 Ų | 134.4 | 96% | 0.959 | 81% | 0.811 | S | S | * | * | | | trans | -53.4 | 138.1 | 176.6 | -6.4 | 175.2 | 0 | 0 | 0 | 112.3 | | |
| 80 | G | 36.4 | Very low | 41.4 | Very low | 71 Ų | 71 | 132.3 Ų | 132.3 | 73% | 0.732 | 81% | 0.807 | S | S | * | * | | | trans | -162.5 | 79.7 | -177.2 | 0 | 0 | 0 | 0 | 0 | 115.4 | | |
| 81 | D | 39.6 | Very low | 40.8 | Very low | 156 Ų | 156 | 130 Ų | 130 | 83% | 0.834 | 81% | 0.806 | S | S | * | * | | | trans | 13.2 | 118.4 | 164.1 | -60.9 | -28.8 | 0 | 0 | 0 | 121.5 | P83 | D81-P83 WeakPolarHBondContact O-CD 3.4Š|
| 82 | T | 43 | Very low | 41.2 | Very low | 137 Ų | 137 | 131.4 Ų | 131.4 | 84% | 0.84 | 80% | 0.803 | S | S | * | * | | | trans | -82.8 | 124.9 | 153.2 | 51.9 | 0 | 0 | 0 | 0 | 111.4 | | |
| 83 | P | 51.1 | Low | 41.6 | Very low | 116 Ų | 116 | 133.5 Ų | 133.5 | 75% | 0.753 | 81% | 0.805 | S | S | * | * | | | trans | -89.2 | 104.3 | 155.9 | 31.7 | -28.2 | 0 | 0 | 0 | 109.8 | D81 | D81-P83 WeakPolarHBondContact O-CD 3.4Š|
| 84 | S | 40.2 | Very low | 41.7 | Very low | 87 Ų | 87 | 129 Ų | 129 | 61% | 0.608 | 79% | 0.791 | S | S | * | * | | | trans | -63.7 | 141.1 | 158.7 | -172.5 | 0 | 0 | 0 | 0 | 108.8 | | |
| 85 | L | 46.3 | Very low | 41.8 | Very low | 170 Ų | 170 | 133.9 Ų | 133.9 | 89% | 0.89 | 80% | 0.797 | S | S | * | * | | | trans | -124.7 | 114.5 | 164.2 | -70.9 | 179.1 | 0 | 0 | 0 | 107.7 | | |
| 86 | E | 45.8 | Very low | 41.4 | Very low | 174 Ų | 174 | 129.9 Ų | 129.9 | 81% | 0.813 | 80% | 0.795 | S | S | * | * | | | trans | -90.6 | 159.3 | -162.7 | -61.8 | 175.9 | 130.8 | 0 | 0 | 112.4 | | |
| 87 | D | 46.3 | Very low | 41.2 | Very low | 157 Ų | 157 | 132.1 Ų | 132.1 | 84% | 0.84 | 80% | 0.796 | S | S | * | * | | | trans | -76.9 | 116.8 | 177.3 | -177.2 | 29.3 | 0 | 0 | 0 | 110.2 | | |
| 88 | E | 49.3 | Very low | 40.9 | Very low | 162 Ų | 162 | 135.9 Ų | 135.9 | 76% | 0.757 | 80% | 0.799 | S | S | * | * | | | trans | -133.6 | 105.6 | 176.3 | -108.5 | -59.2 | 152.6 | 0 | 0 | 112.1 | A90 | E88-A90 PolarHBondContact O-N 3.46Š|
| 89 | A | 37.8 | Very low | 41.2 | Very low | 96 Ų | 96 | 139 Ų | 139 | 79% | 0.793 | 80% | 0.802 | S | S | * | * | | | trans | -98.2 | 66.1 | -178 | 0 | 0 | 0 | 0 | 0 | 111.9 | | |
| 90 | A | 40.5 | Very low | 41.2 | Very low | 85 Ų | 85 | 135.9 Ų | 135.9 | 70% | 0.702 | 80% | 0.797 | S | S | * | * | | | trans | -95.7 | 129.3 | 178.3 | 0 | 0 | 0 | 0 | 0 | 113.2 | E88 | E88-A90 PolarHBondContact O-N 3.46Š|
| 91 | G | 35.4 | Very low | 41.3 | Very low | 78 Ų | 78 | 142.5 Ų | 142.5 | 80% | 0.804 | 81% | 0.806 | S | S | * | * | | | trans | -86.4 | 133.1 | -176.8 | 0 | 0 | 0 | 0 | 0 | 114.4 | | |
| 92 | H | 41.6 | Very low | 41.3 | Very low | 164 Ų | 164 | 140 Ų | 140 | 76% | 0.759 | 80% | 0.801 | S | S | * | * | | | trans | -100.9 | 109.7 | 178.7 | -153 | -96.6 | 0 | 0 | 0 | 112.6 | T94 | H92-T94 WeakPolarHBondContact CE1-CG2 3.49Å; H92-T94 PolarHBondContact CE1-OG1 3.35Å; H92-T94 PolarHBondContact ND1-OG1 3.15Å |
| 93 | V | 44.1 | Very low | 41.1 | Very low | 144 Ų | 144 | 142 Ų | 142 | 87% | 0.873 | 80% | 0.798 | S | S | * | * | | | trans | -100.9 | 97.8 | 175 | 178.1 | 0 | 0 | 0 | 0 | 109.9 | | |
| 94 | T | 43.2 | Very low | 40.3 | Very low | 99 Ų | 99 | 143.2 Ų | 143.2 | 61% | 0.607 | 80% | 0.798 | S | S | * | * | | | trans | -134.6 | 102.8 | 174.3 | 44 | 0 | 0 | 0 | 0 | 113.3 | H92 | H92-T94 WeakPolarHBondContact CE1-CG2 3.49Å; H92-T94 PolarHBondContact CE1-OG1 3.35Å; H92-T94 PolarHBondContact ND1-OG1 3.15Å |
| 95 | Q | 38.5 | Very low | 40.1 | Very low | 198 Ų | 198 | 141.9 Ų | 141.9 | 93% | 0.925 | 80% | 0.798 | S | S | * | * | | | trans | 20 | 141.5 | 146.7 | -56.1 | -173.4 | 8.2 | 0 | 0 | 121.3 | | |
| 96 | A | 32.9 | Very low | 39.5 | Very low | 95 Ų | 95 | 141.3 Ų | 141.3 | 79% | 0.785 | 80% | 0.801 | S | S | * | * | | | trans | -73 | 150.3 | -179.6 | 0 | 0 | 0 | 0 | 0 | 114.7 | | |
| 97 | R | 37.4 | Very low | 38.9 | Very low | 227 Ų | 227 | 136.7 Ų | 136.7 | 86% | 0.857 | 80% | 0.8 | S | S | * | * | | | trans | -131.8 | 74.7 | 162.7 | -164.7 | 176.3 | 179.4 | 176.5 | -0.1 | 113.3 | | |
| 98 | M | 33.1 | Very low | 38.5 | Very low | 172 Ų | 172 | 134.7 Ų | 134.7 | 85% | 0.847 | 80% | 0.799 | S | S | * | * | | | trans | 9.1 | 108.9 | 141.5 | 44.1 | -178.4 | 155.4 | 0 | 0 | 118.2 | | |
| 99 | V | 38.8 | Very low | 38.1 | Very low | 143 Ų | 143 | 135.1 Ų | 135.1 | 87% | 0.867 | 81% | 0.806 | S | S | * | * | | | trans | -143.9 | 107.3 | 156.4 | -179.1 | 0 | 0 | 0 | 0 | 110.8 | | |
| 100 | S | 45.3 | Very low | 38.2 | Very low | 122 Ų | 122 | 137.2 Ų | 137.2 | 85% | 0.853 | 80% | 0.804 | S | S | * | * | | | trans | -164.1 | 144.5 | 149.8 | 55.2 | 0 | 0 | 0 | 0 | 109 | | |
| 101 | K | 37.2 | Very low | 38.4 | Very low | 210 Ų | 210 | 143.3 Ų | 143.3 | 91% | 0.913 | 82% | 0.815 | S | S | * | * | | | trans | -147.4 | 106 | -172.1 | -177.7 | 177.8 | 177 | 177.9 | 0 | 112.7 | | |
| 102 | S | 39.3 | Very low | 38.4 | Very low | 104 Ų | 104 | 149.1 Ų | 149.1 | 73% | 0.727 | 82% | 0.818 | S | S | * | * | | | trans | -156.5 | 127.1 | 167.7 | 44.9 | 0 | 0 | 0 | 0 | 106.4 | | |
| 103 | K | 38.5 | Very low | 38.3 | Very low | 180 Ų | 180 | 145.5 Ų | 145.5 | 78% | 0.783 | 82% | 0.816 | S | S | * | * | | | | 55.5 | 121 | 77.5 | -80.3 | -152.1 | 162.7 | -159.3 | 0 | 111.8 | | |
| 104 | D | 35.3 | Very low | 37.8 | Very low | 141 Ų | 141 | 148.7 Ų | 148.7 | 75% | 0.754 | 82% | 0.819 | S | S | * | * | | | cis | -138.4 | -178.8 | -0.9 | -69.1 | -60.3 | 0 | 0 | 0 | 107 | | |
| 105 | G | 35.3 | Very low | 37.2 | Very low | 58 Ų | 58 | 147.7 Ų | 147.7 | 60% | 0.598 | 83% | 0.828 | S | S | * | * | | | cis | 139.3 | 129.4 | 4.6 | 0 | 0 | 0 | 0 | 0 | 110.3 | | |
| 106 | T | 35.3 | Very low | 37.2 | Very low | 158 Ų | 158 | 142.2 Ų | 142.2 | 97% | 0.969 | 82% | 0.817 | S | S | * | * | | | trans | 64.7 | 160.1 | -168 | 78 | 0 | 0 | 0 | 0 | 114.2 | | |
| 107 | G | 32.5 | Very low | 37.4 | Very low | 77 Ų | 77 | 145.5 Ų | 145.5 | 79% | 0.794 | 82% | 0.821 | S | S | * | * | | | cis | -178.7 | 141.8 | -5.3 | 0 | 0 | 0 | 0 | 0 | 110.1 | | |
| 108 | S | 38.2 | Very low | 37.2 | Very low | 115 Ų | 115 | 138 Ų | 138 | 80% | 0.804 | 81% | 0.814 | S | S | * | * | | | trans | -95.2 | 149.3 | -174.1 | 53.2 | 0 | 0 | 0 | 0 | 113.6 | | |
| 109 | D | 39.6 | Very low | 37.4 | Very low | 172 Ų | 172 | 139.3 Ų | 139.3 | 92% | 0.92 | 82% | 0.815 | S | S | * | * | | | trans | -157 | 148 | 150.6 | -116.3 | -32.9 | 0 | 0 | 0 | 113.4 | | |
| 110 | D | 40.2 | Very low | 37.1 | Very low | 140 Ų | 140 | 139.4 Ų | 139.4 | 75% | 0.749 | 82% | 0.816 | S | S | * | * | | | trans | -92.9 | 142.4 | -168.8 | -91.7 | -79.8 | 0 | 0 | 0 | 115.1 | | |
| 111 | K | 45.3 | Very low | 36.7 | Very low | 213 Ų | 213 | 142.9 Ų | 142.9 | 93% | 0.926 | 82% | 0.816 | S | S | * | * | | | trans | -143.4 | 74.7 | 148.6 | -70.9 | -160.6 | 178.5 | 172.7 | 0 | 115.3 | | |
| 112 | K | 34.2 | Very low | 36.6 | Very low | 199 Ų | 199 | 139.9 Ų | 139.9 | 87% | 0.865 | 81% | 0.808 | S | S | * | * | | | trans | -4.6 | 122.2 | 141.2 | 172 | -169.8 | 176 | -179.1 | 0 | 117.5 | | |
| 113 | A | 39.4 | Very low | 36.3 | Very low | 88 Ų | 88 | 139.6 Ų | 139.6 | 73% | 0.727 | 81% | 0.812 | S | S | * | * | | | | -179.8 | 144.3 | 119.9 | 0 | 0 | 0 | 0 | 0 | 114.1 | | |
| 114 | K | 34.7 | Very low | 36.4 | Very low | 212 Ų | 212 | 137.5 Ų | 137.5 | 92% | 0.922 | 82% | 0.815 | S | S | * | * | | | trans | 6.2 | 134.9 | 159.7 | -59.3 | -179.8 | 174.9 | -175.4 | 0 | 118.3 | | |
| 115 | G | 31.1 | Very low | 37.7 | Very low | 77 Ų | 77 | 136.6 Ų | 136.6 | 79% | 0.794 | 82% | 0.817 | S | S | * | * | | | cis | 106.5 | 149 | 34.9 | 0 | 0 | 0 | 0 | 0 | 109.8 | | |
| 116 | A | 36.8 | Very low | 37.7 | Very low | 84 Ų | 84 | 146.1 Ų | 146.1 | 69% | 0.694 | 84% | 0.835 | S | S | * | * | | | cis | -153.3 | 147 | 8 | 0 | 0 | 0 | 0 | 0 | 112 | | |
| 117 | D | 38.8 | Very low | 37.4 | Very low | 163 Ų | 163 | 142.2 Ų | 142.2 | 87% | 0.872 | 83% | 0.825 | S | S | * | * | | | trans | 35 | 137.2 | 141.8 | -43.6 | -44 | 0 | 0 | 0 | 121.4 | | |
| 118 | G | 32.7 | Very low | 37.5 | Very low | 70 Ų | 70 | 143.4 Ų | 143.4 | 72% | 0.722 | 83% | 0.828 | S | S | * | * | | | cis | 123.9 | 98.8 | 11.8 | 0 | 0 | 0 | 0 | 0 | 111.2 | | |
| 119 | K | 36.6 | Very low | 37.4 | Very low | 199 Ų | 199 | 142.6 Ų | 142.6 | 87% | 0.865 | 83% | 0.828 | S | S | * | * | | | trans | -148.9 | 121 | 178.5 | -66 | -176 | -178.3 | 178 | 0 | 111.8 | | |
| 120 | T | 32.6 | Very low | 38.4 | Very low | 145 Ų | 145 | 140 Ų | 140 | 89% | 0.89 | 82% | 0.821 | S | S | * | * | | | trans | 178.7 | 112.6 | 152 | 13.1 | 0 | 0 | 0 | 0 | 111.6 | | |
| 121 | K | 37.5 | Very low | 39.2 | Very low | 196 Ų | 196 | 139.3 Ų | 139.3 | 85% | 0.852 | 82% | 0.824 | S | S | * | * | | | trans | 176.8 | 145.5 | 154.6 | -73.5 | -141.6 | -177.7 | -174.8 | 0 | 105.8 | | |
| 122 | I | 34.3 | Very low | 38.7 | Very low | 146 Ų | 146 | 132.5 Ų | 132.5 | 75% | 0.749 | 81% | 0.814 | S | S | * | * | | | cis | -150.9 | 146.9 | -13.2 | -96 | 159.9 | 0 | 0 | 0 | 105.6 | | |
| 123 | A | 33 | Very low | 38.9 | Very low | 98 Ų | 98 | 130.5 Ų | 130.5 | 81% | 0.81 | 81% | 0.808 | S | S | * | * | | | trans | -159.9 | 151.1 | 158.7 | 0 | 0 | 0 | 0 | 0 | 111.7 | | |
| 124 | T | 41.3 | Very low | 38.6 | Very low | 137 Ų | 137 | 135.6 Ų | 135.6 | 84% | 0.84 | 81% | 0.814 | S | S | * | * | | | trans | -123.3 | 167.8 | -176.9 | 21.7 | 0 | 0 | 0 | 0 | 112.2 | | |
| 125 | P | 61.5 | Low | 38.4 | Very low | 121 Ų | 121 | 128.9 Ų | 128.9 | 79% | 0.786 | 81% | 0.805 | S | S | * | * | | | trans | -114 | 164.7 | -148 | 41.5 | -36.5 | 0 | 0 | 0 | 117.1 | | |
| 126 | R | 35.3 | Very low | 38.7 | Very low | 259 Ų | 259 | 134.7 Ų | 134.7 | 98% | 0.977 | 81% | 0.811 | S | S | * | * | | | trans | -166.9 | 154.9 | 153.3 | -141.7 | 170 | 178.3 | 151.1 | -1.3 | 113.7 | | |
| 127 | G | 29.3 | Very low | 38.6 | Very low | 75 Ų | 75 | 134.7 Ų | 134.7 | 77% | 0.773 | 81% | 0.811 | S | S | * | * | | | trans | 151.8 | 130.9 | 163.4 | 0 | 0 | 0 | 0 | 0 | 114.4 | | |
| 128 | A | 34.9 | Very low | 38.2 | Very low | 102 Ų | 102 | 134.6 Ų | 134.6 | 84% | 0.843 | 81% | 0.811 | S | S | * | * | | | trans | -158.2 | 138 | -178.8 | 0 | 0 | 0 | 0 | 0 | 115.9 | | |
| 129 | A | 36.3 | Very low | 38.4 | Very low | 98 Ų | 98 | 135.4 Ų | 135.4 | 81% | 0.81 | 81% | 0.81 | S | S | * | * | | | trans | 74.7 | -178 | 147.9 | 0 | 0 | 0 | 0 | 0 | 119.7 | | |
| 130 | P | 61 | Low | 38.7 | Very low | 118 Ų | 118 | 132.9 Ų | 132.9 | 77% | 0.766 | 81% | 0.812 | S | S | * | * | | | | -133.5 | -141.3 | -118.8 | 40.1 | -14.8 | 0 | 0 | 0 | 112.4 | | |
| 131 | P | 56.9 | Low | 39.1 | Very low | 125 Ų | 125 | 137.5 Ų | 137.5 | 81% | 0.812 | 81% | 0.813 | S | S | * | * | | | cis | -137 | 178.3 | -18.9 | 42 | -24.2 | 0 | 0 | 0 | 117 | | |
| 132 | G | 34.6 | Very low | 39.2 | Very low | 71 Ų | 71 | 135.5 Ų | 135.5 | 73% | 0.732 | 81% | 0.81 | S | S | * | * | | | trans | 133.7 | 158.4 | 155.7 | 0 | 0 | 0 | 0 | 0 | 116.6 | | |
| 133 | Q | 37.8 | Very low | 39.9 | Very low | 156 Ų | 156 | 134.1 Ų | 134.1 | 73% | 0.729 | 81% | 0.811 | S | S | * | * | | | cis | -154.8 | 154.6 | -8.9 | -67.6 | -166.8 | 19.2 | 0 | 0 | 111.5 | | |
| 134 | K | 33 | Very low | 39.9 | Very low | 195 Ų | 195 | 133.5 Ų | 133.5 | 85% | 0.848 | 81% | 0.805 | S | S | * | * | | | trans | 46.5 | 148.5 | 148.7 | -61.9 | 162.5 | -176.3 | 157.7 | 0 | 121.1 | | |
| 135 | G | 31.9 | Very low | 39.5 | Very low | 71 Ų | 71 | 136.7 Ų | 136.7 | 73% | 0.732 | 81% | 0.808 | S | S | * | * | | | cis | 165.9 | 166.3 | -6.4 | 0 | 0 | 0 | 0 | 0 | 114.3 | | |
| 136 | Q | 37.6 | Very low | 38.3 | Very low | 200 Ų | 200 | 137.3 Ų | 137.3 | 94% | 0.935 | 81% | 0.809 | S | S | * | * | | | trans | 71.1 | 111.7 | 163.4 | -70.5 | -177.5 | -40.8 | 0 | 0 | 123.8 | | |
| 137 | A | 33.4 | Very low | 39 | Very low | 83 Ų | 83 | 130.4 Ų | 130.4 | 69% | 0.686 | 80% | 0.798 | S | S | * | * | | | | 42.8 | 131.4 | 128.1 | 0 | 0 | 0 | 0 | 0 | 124 | | |
| 138 | N | 31.7 | Very low | 40.1 | Very low | 162 Ų | 162 | 132.6 Ų | 132.6 | 87% | 0.866 | 80% | 0.798 | S | S | * | * | | | | -173.1 | 156.3 | 100 | -106 | -64.5 | 0 | 0 | 0 | 117.9 | | |
| 139 | A | 36.5 | Very low | 40.3 | Very low | 87 Ų | 87 | 132.2 Ų | 132.2 | 72% | 0.719 | 80% | 0.795 | S | S | * | * | | | trans | 42.9 | 99.7 | 150.3 | 0 | 0 | 0 | 0 | 0 | 122.3 | | |
| 140 | T | 43.5 | Very low | 40.6 | Very low | 145 Ų | 145 | 132.9 Ų | 132.9 | 89% | 0.89 | 79% | 0.791 | S | S | * | * | | | trans | -83.2 | 121.1 | 154.1 | -57.5 | 0 | 0 | 0 | 0 | 110.5 | | |
| 141 | R | 38.9 | Very low | 39.5 | Very low | 243 Ų | 243 | 137.2 Ų | 137.2 | 92% | 0.917 | 80% | 0.798 | S | S | * | * | | | trans | -145.9 | 138.3 | 168.7 | -134.6 | -179.4 | -166.6 | -143.6 | 4.6 | 111.7 | | |
| 142 | I | 40.1 | Very low | 38.4 | Very low | 153 Ų | 153 | 137.6 Ų | 137.6 | 79% | 0.785 | 80% | 0.798 | S | S | * | * | | | trans | -116.8 | 172.4 | -177.7 | 6.3 | 175 | 0 | 0 | 0 | 108.5 | | |
| 143 | P | 50.4 | Low | 39.4 | Very low | 118 Ų | 118 | 139.4 Ų | 139.4 | 77% | 0.766 | 80% | 0.797 | S | S | * | * | | | cis | -139 | -174.5 | -9.2 | 36.2 | -15.2 | 0 | 0 | 0 | 116.4 | | |
| 144 | A | 31.7 | Very low | 40 | Very low | 85 Ų | 85 | 137.3 Ų | 137.3 | 70% | 0.702 | 80% | 0.797 | S | S | * | * | | | trans | 102.3 | 125.7 | 135.7 | 0 | 0 | 0 | 0 | 0 | 123.7 | | |
| 145 | K | 33.7 | Very low | 39.9 | Very low | 204 Ų | 204 | 133.2 Ų | 133.2 | 89% | 0.887 | 79% | 0.793 | S | S | * | * | | | trans | 85.1 | 142.1 | 144.9 | -70.9 | 174.7 | -179.7 | -179.1 | 0 | 122.8 | | |
| 146 | T | 36.3 | Very low | 40.1 | Very low | 134 Ų | 134 | 135.2 Ų | 135.2 | 82% | 0.822 | 80% | 0.796 | S | S | * | * | | | trans | -61 | -179.6 | 177.5 | 20.2 | 0 | 0 | 0 | 0 | 115.8 | | |
| 147 | P | 49.5 | Very low | 39.8 | Very low | 113 Ų | 113 | 129.5 Ų | 129.5 | 73% | 0.734 | 79% | 0.791 | S | S | * | * | | | cis | -133.7 | -137 | 10.3 | 44.1 | -23.3 | 0 | 0 | 0 | 111.6 | | |
| 148 | P | 51.8 | Low | 39.9 | Very low | 121 Ų | 121 | 134.7 Ų | 134.7 | 79% | 0.786 | 80% | 0.801 | S | S | * | * | | | cis | -127 | -168.8 | -30.1 | 40.1 | -22.7 | 0 | 0 | 0 | 114.1 | | |
| 149 | A | 39.1 | Very low | 41.4 | Very low | 94 Ų | 94 | 132.3 Ų | 132.3 | 78% | 0.777 | 79% | 0.794 | S | S | * | * | | | trans | -106.4 | 163.9 | 172.4 | 0 | 0 | 0 | 0 | 0 | 113.5 | | |
| 150 | P | 42.4 | Very low | 41.7 | Very low | 112 Ų | 112 | 134.4 Ų | 134.4 | 73% | 0.727 | 80% | 0.8 | S | S | * | * | | | trans | -119.4 | 128.4 | 179 | 36.9 | -23.8 | 0 | 0 | 0 | 117.3 | | |
| 151 | K | 38.4 | Very low | 41.4 | Very low | 210 Ų | 210 | 136.7 Ų | 136.7 | 91% | 0.913 | 80% | 0.798 | S | S | * | * | | | trans | 79.6 | 135.9 | 141.1 | -61 | 179.4 | 179.3 | -178.1 | 0 | 121.9 | | |
| 152 | T | 34.4 | Very low | 41.2 | Very low | 132 Ų | 132 | 131.3 Ų | 131.3 | 81% | 0.81 | 80% | 0.797 | S | S | * | * | | | trans | -142.7 | -165.7 | -175.2 | 51.7 | 0 | 0 | 0 | 0 | 108.2 | | |
| 153 | P | 56.3 | Low | 41 | Very low | 110 Ų | 110 | 127 Ų | 127 | 71% | 0.714 | 79% | 0.79 | S | S | * | * | | | cis | -101 | -112.9 | -38 | 39.1 | -24.7 | 0 | 0 | 0 | 107.1 | | |
| 154 | P | 48.6 | Very low | 40.4 | Very low | 111 Ų | 111 | 128.6 Ų | 128.6 | 72% | 0.721 | 79% | 0.793 | S | S | * | * | | | cis | -61.6 | -171.5 | -37 | -25.4 | 40.4 | 0 | 0 | 0 | 114.2 | | |
| 155 | S | 32.3 | Very low | 40.9 | Very low | 109 Ų | 109 | 136 Ų | 136 | 76% | 0.762 | 80% | 0.803 | S | S | * | * | | | cis | 82 | 136.4 | 4.7 | 131.3 | 0 | 0 | 0 | 0 | 119 | | |
| 156 | S | 34.6 | Very low | 41 | Very low | 114 Ų | 114 | 132 Ų | 132 | 80% | 0.797 | 80% | 0.8 | S | S | * | * | | | cis | -166.1 | 146 | -3 | 40.1 | 0 | 0 | 0 | 0 | 111.5 | | |
| 157 | G | 32.1 | Very low | 40.9 | Very low | 80 Ų | 80 | 129.1 Ų | 129.1 | 83% | 0.825 | 80% | 0.797 | S | S | * | * | | | trans | 159 | 130.1 | 167.9 | 0 | 0 | 0 | 0 | 0 | 114.9 | | |
| 158 | E | 35.7 | Very low | 40.4 | Very low | 192 Ų | 192 | 134.8 Ų | 134.8 | 90% | 0.897 | 81% | 0.805 | S | S | * | * | | | trans | -102.1 | -170.4 | 173.6 | -59 | 179.3 | 90.7 | 0 | 0 | 111 | | |
| 159 | P | 62.9 | Low | 39.6 | Very low | 112 Ų | 112 | 134 Ų | 134 | 73% | 0.727 | 80% | 0.803 | S | S | * | * | | | | -115.5 | 172.2 | -75.9 | 38.6 | -25.7 | 0 | 0 | 0 | 111.2 | | |
| 160 | P | 42 | Very low | 39.5 | Very low | 131 Ų | 131 | 134.9 Ų | 134.9 | 85% | 0.851 | 80% | 0.803 | S | S | * | * | | | | -155.7 | -159.2 | 99.5 | 41.7 | -21.6 | 0 | 0 | 0 | 114.9 | | |
| 161 | K | 38.6 | Very low | 39.9 | Very low | 193 Ų | 193 | 135.3 Ų | 135.3 | 84% | 0.839 | 81% | 0.806 | S | S | * | * | | | trans | -79.7 | 172.4 | 178 | -63.1 | 171.6 | 177.5 | 172.2 | 0 | 113.4 | | |
| 162 | S | 34.6 | Very low | 39.6 | Very low | 129 Ų | 129 | 128.5 Ų | 128.5 | 90% | 0.902 | 80% | 0.796 | S | S | * | * | | | trans | 71.3 | 152.5 | 169.2 | 75.5 | 0 | 0 | 0 | 0 | 117 | | |
| 163 | G | 36.3 | Very low | 39.9 | Very low | 62 Ų | 62 | 127.9 Ų | 127.9 | 64% | 0.639 | 80% | 0.797 | S | S | * | * | | | cis | 174.7 | 149.8 | -10.1 | 0 | 0 | 0 | 0 | 0 | 114.3 | | |
| 164 | D | 36.2 | Very low | 39.6 | Very low | 152 Ų | 152 | 128.9 Ų | 128.9 | 81% | 0.813 | 80% | 0.803 | S | S | * | * | | | trans | 41.7 | 112.4 | 156 | -56.2 | -56.4 | 0 | 0 | 0 | 121.4 | | |
| 165 | R | 42.2 | Very low | 38.8 | Very low | 242 Ų | 242 | 126 Ų | 126 | 91% | 0.913 | 79% | 0.794 | S | S | * | * | | | | 163.3 | 141.7 | 122.9 | -86.1 | 151.6 | -171.7 | -163.2 | 1.5 | 110.4 | | |
| 166 | S | 36.7 | Very low | 39.4 | Very low | 118 Ų | 118 | 127.4 Ų | 127.4 | 83% | 0.825 | 80% | 0.798 | S | S | * | * | | | cis | -169.4 | 138.4 | -12.2 | 46.5 | 0 | 0 | 0 | 0 | 108.3 | | |
| 167 | G | 34.2 | Very low | 39.8 | Very low | 74 Ų | 74 | 128 Ų | 128 | 76% | 0.763 | 80% | 0.799 | S | S | * | * | | | trans | -166.4 | 44.8 | -168.4 | 0 | 0 | 0 | 0 | 0 | 119.3 | | |
| 168 | Y | 38.6 | Very low | 39.9 | Very low | 233 Ų | 233 | 127.4 Ų | 127.4 | 91% | 0.914 | 79% | 0.793 | S | S | * | * | | | trans | 71.2 | 144.9 | 167 | -145.1 | -100.5 | 0 | 0 | 0 | 117.7 | | |
| 169 | S | 34.7 | Very low | 39.9 | Very low | 105 Ų | 105 | 123.6 Ų | 123.6 | 73% | 0.734 | 79% | 0.788 | S | S | * | * | | | trans | -132.9 | 162.2 | -172.6 | -61.9 | 0 | 0 | 0 | 0 | 112.7 | | |
| 170 | S | 37 | Very low | 38.6 | Very low | 112 Ų | 112 | 130 Ų | 130 | 78% | 0.783 | 80% | 0.797 | S | S | * | * | | | trans | -73.9 | 158.4 | -178.9 | -31.8 | 0 | 0 | 0 | 0 | 115 | | |
| 171 | P | 50.8 | Low | 38.2 | Very low | 121 Ų | 121 | 128.9 Ų | 128.9 | 79% | 0.786 | 79% | 0.792 | S | S | * | * | | | trans | -77 | 148.6 | 144 | 34.8 | -31.8 | 0 | 0 | 0 | 109.9 | | |
| 172 | G | 33 | Very low | 38.1 | Very low | 67 Ų | 67 | 131.3 Ų | 131.3 | 69% | 0.691 | 80% | 0.796 | S | S | * | * | | | cis | 86.9 | 134.4 | 7.2 | 0 | 0 | 0 | 0 | 0 | 112.2 | | |
| 173 | S | 40.4 | Very low | 38.2 | Very low | 119 Ų | 119 | 131.4 Ų | 131.4 | 83% | 0.832 | 79% | 0.791 | S | S | * | * | | | cis | -167.7 | -172.7 | -0.8 | -88 | 0 | 0 | 0 | 0 | 106.2 | | |
| 174 | P | 49.5 | Very low | 38.5 | Very low | 130 Ų | 130 | 133.7 Ų | 133.7 | 84% | 0.844 | 80% | 0.795 | S | S | * | * | | | cis | -127 | -170.1 | 5.3 | 44.2 | -27 | 0 | 0 | 0 | 113.3 | | |
| 175 | G | 32.6 | Very low | 38.1 | Very low | 52 Ų | 52 | 131.4 Ų | 131.4 | 54% | 0.536 | 79% | 0.791 | S | S | . | * | | | cis | -171.8 | 142.4 | -5.6 | 0 | 0 | 0 | 0 | 0 | 110.7 | | |
| 176 | T | 44.3 | Very low | 37.6 | Very low | 138 Ų | 138 | 127.9 Ų | 127.9 | 85% | 0.847 | 79% | 0.789 | S | S | * | * | | | | 71.6 | 150.5 | 103.9 | 59.7 | 0 | 0 | 0 | 0 | 117.4 | | |
| 177 | P | 42.6 | Very low | 38 | Very low | 127 Ų | 127 | 127.4 Ų | 127.4 | 83% | 0.825 | 78% | 0.784 | S | S | * | * | | | cis | -127.3 | -177.5 | -36.5 | 38.2 | -22 | 0 | 0 | 0 | 110.6 | | |
| 178 | G | 36.1 | Very low | 38.2 | Very low | 67 Ų | 67 | 130 Ų | 130 | 69% | 0.691 | 78% | 0.784 | S | S | * | * | | | cis | 142 | 100.2 | -4.3 | 0 | 0 | 0 | 0 | 0 | 112.8 | | |
| 179 | S | 35 | Very low | 38.6 | Very low | 112 Ų | 112 | 124.4 Ų | 124.4 | 78% | 0.783 | 78% | 0.777 | S | S | * | * | | | trans | 53.5 | 128.7 | 156.6 | -164.6 | 0 | 0 | 0 | 0 | 121.1 | | |
| 180 | R | 35.2 | Very low | 39.7 | Very low | 246 Ų | 246 | 124.3 Ų | 124.3 | 93% | 0.928 | 77% | 0.774 | S | S | * | * | | | | -164.7 | 137.9 | 111.2 | -100 | 151 | -168.6 | 174.6 | 5.1 | 112.4 | | |
| 181 | S | 34 | Very low | 39.4 | Very low | 107 Ų | 107 | 124.9 Ų | 124.9 | 75% | 0.748 | 77% | 0.773 | S | S | * | * | | | trans | -94.2 | 144.9 | 169.8 | 173.7 | 0 | 0 | 0 | 0 | 110.6 | | |
| 182 | R | 36 | Very low | 39 | Very low | 244 Ų | 244 | 130.3 Ų | 130.3 | 92% | 0.921 | 78% | 0.778 | S | S | * | * | | | trans | -171.9 | 120.4 | 141.9 | -102 | 164.1 | -162.9 | -154.7 | 3.5 | 109.4 | | |
| 183 | T | 37.8 | Very low | 39.4 | Very low | 131 Ų | 131 | 134.5 Ų | 134.5 | 80% | 0.804 | 78% | 0.779 | S | S | * | * | | | trans | -74.8 | 151 | 160 | 49.2 | 0 | 0 | 0 | 0 | 109 | | |
| 184 | P | 40.7 | Very low | 40.1 | Very low | 111 Ų | 111 | 133.5 Ų | 133.5 | 72% | 0.721 | 77% | 0.77 | S | S | * | * | | | | -145.6 | 162 | 94.5 | 39.1 | -23.9 | 0 | 0 | 0 | 116.3 | | |
| 185 | S | 28.8 | Very low | 39.9 | Very low | 103 Ų | 103 | 135.9 Ų | 135.9 | 72% | 0.72 | 77% | 0.767 | S | S | * | * | | | trans | 52 | 108.3 | 147 | 61.4 | 0 | 0 | 0 | 0 | 122.6 | | |
| 186 | L | 32.3 | Very low | 40.4 | Very low | 168 Ų | 168 | 141.8 Ų | 141.8 | 88% | 0.88 | 78% | 0.778 | S | S | * | * | | | | 70 | 174.8 | 125.2 | -131.5 | 66.7 | 0 | 0 | 0 | 118.1 | | |
| 187 | P | 43.8 | Very low | 40.1 | Very low | 109 Ų | 109 | 141.9 Ų | 141.9 | 71% | 0.708 | 78% | 0.778 | S | S | * | * | | | | -107.5 | -176.7 | -88.1 | 38.3 | -28.8 | 0 | 0 | 0 | 116.3 | | |
| 188 | T | 39.1 | Very low | 39.9 | Very low | 127 Ų | 127 | 139.7 Ų | 139.7 | 78% | 0.779 | 77% | 0.771 | S | S | * | * | | | trans | -42 | 165.6 | 166.2 | 39.8 | 0 | 0 | 0 | 0 | 117.1 | | |
| 189 | P | 47.2 | Very low | 40.2 | Very low | 116 Ų | 116 | 142.6 Ų | 142.6 | 75% | 0.753 | 78% | 0.775 | S | S | * | * | | | cis | -130.9 | -122.9 | 4 | 28 | -1.7 | 0 | 0 | 0 | 115.1 | | |
| 190 | P | 56.8 | Low | 40.5 | Very low | 104 Ų | 104 | 142.9 Ų | 142.9 | 68% | 0.675 | 77% | 0.772 | S | S | * | * | | | | -121 | -174.4 | -92.4 | 31.4 | -12.7 | 0 | 0 | 0 | 117.5 | | |
| 191 | T | 32.1 | Very low | 41.1 | Very low | 123 Ų | 123 | 142.1 Ų | 142.1 | 76% | 0.755 | 77% | 0.769 | S | S | * | * | | | trans | 117.3 | 154.6 | 143.7 | 73.3 | 0 | 0 | 0 | 0 | 120.3 | | |
| 192 | R | 41 | Very low | 42.1 | Very low | 236 Ų | 236 | 142.9 Ų | 142.9 | 89% | 0.891 | 77% | 0.769 | S | S | * | * | | | trans | 84.6 | 74.9 | 161.4 | -64.7 | -174.1 | 177 | -172.2 | -1.6 | 121.2 | | |
| 193 | E | 42.6 | Very low | 42.4 | Very low | 154 Ų | 154 | 137 Ų | 137 | 72% | 0.72 | 76% | 0.762 | S | S | * | * | | | | -21.7 | 166.8 | 115.2 | -71 | -91.8 | -171.3 | 0 | 0 | 116.8 | | |
| 194 | P | 53.7 | Low | 43 | Very low | 99 Ų | 99 | 136.9 Ų | 136.9 | 64% | 0.643 | 76% | 0.764 | S | S | * | * | | | cis | -118.9 | -158.9 | -11.1 | 27.5 | -3.6 | 0 | 0 | 0 | 109.8 | | |
| 195 | K | 45.9 | Very low | 43.3 | Very low | 180 Ų | 180 | 141.3 Ų | 141.3 | 78% | 0.783 | 77% | 0.772 | S | S | * | * | | | cis | -145.5 | 167.4 | 11.5 | -49.6 | 167.4 | -178.7 | 176.2 | 0 | 106.9 | | |
| 196 | K | 42.5 | Very low | 44 | Very low | 176 Ų | 176 | 142.2 Ų | 142.2 | 77% | 0.765 | 78% | 0.778 | S | S | * | * | | | cis | 73.7 | 135.3 | 25.3 | -59 | -168.2 | -174.6 | 179.8 | 0 | 117 | | |
| 197 | V | 38.7 | Very low | 45.1 | Very low | 139 Ų | 139 | 140 Ų | 140 | 84% | 0.842 | 77% | 0.774 | S | S | * | * | | | cis | -167.2 | 166.7 | -35.1 | 118.9 | 0 | 0 | 0 | 0 | 107.5 | | |
| 198 | A | 39.3 | Very low | 45 | Very low | 82 Ų | 82 | 140.7 Ų | 140.7 | 68% | 0.678 | 78% | 0.781 | S | S | * | * | | | trans | -47.8 | 151.3 | -175.2 | 0 | 0 | 0 | 0 | 0 | 117.7 | | |
| 199 | V | 42.1 | Very low | 45.4 | Very low | 127 Ų | 127 | 140 Ų | 140 | 77% | 0.77 | 78% | 0.781 | S | S | * | * | | | trans | -100.5 | 113.1 | 154.4 | 173.9 | 0 | 0 | 0 | 0 | 108.3 | | |
| 200 | V | 40.3 | Very low | 45 | Very low | 119 Ų | 119 | 139 Ų | 139 | 72% | 0.721 | 78% | 0.783 | S | S | * | * | | | trans | -80.3 | 132.3 | 172.7 | 176.2 | 0 | 0 | 0 | 0 | 109.4 | T202 | V200-T202 HydrophobicContact CG1-CG2 4.35Š|
| 201 | R | 49.1 | Very low | 44.6 | Very low | 229 Ų | 229 | 143.8 Ų | 143.8 | 86% | 0.864 | 79% | 0.793 | S | S | * | * | | | trans | -121.8 | 126.7 | 162.5 | -84.4 | -176.8 | 155.4 | 125.3 | -4.1 | 108.9 | | |
| 202 | T | 53.5 | Low | 45.3 | Very low | 123 Ų | 123 | 143.8 Ų | 143.8 | 76% | 0.755 | 80% | 0.798 | S | S | * | * | | | trans | -89.2 | 140.1 | -169.1 | 49.6 | 0 | 0 | 0 | 0 | 113 | V200 | V200-T202 HydrophobicContact CG1-CG2 4.35Š|
| 203 | P | 43.2 | Very low | 45.4 | Very low | 120 Ų | 120 | 143.7 Ų | 143.7 | 78% | 0.779 | 80% | 0.798 | S | S | * | * | | | trans | -67.1 | 159.6 | 160 | -19.7 | 34.1 | 0 | 0 | 0 | 112.7 | | |
| 204 | P | 49.8 | Very low | 45.8 | Very low | 129 Ų | 129 | 144.1 Ų | 144.1 | 84% | 0.838 | 80% | 0.804 | S | S | * | * | | | trans | -97.7 | -178.8 | -162.7 | 38.7 | -37.6 | 0 | 0 | 0 | 116 | | |
| 205 | K | 47.5 | Very low | 45.5 | Very low | 205 Ų | 205 | 147.8 Ų | 147.8 | 89% | 0.891 | 81% | 0.813 | S | S | * | * | | | trans | -78.3 | 146.8 | -174 | -61.4 | 168.2 | 179.7 | 173.9 | 0 | 113.8 | | |
| 206 | S | 44.6 | Very low | 45.4 | Very low | 122 Ų | 122 | 145.8 Ų | 145.8 | 85% | 0.853 | 82% | 0.816 | S | S | * | * | | | trans | -82.8 | 150.6 | 170.6 | -22.2 | 0 | 0 | 0 | 0 | 112.9 | | |
| 207 | P | 54.8 | Low | 45.7 | Very low | 122 Ų | 122 | 140.9 Ų | 140.9 | 79% | 0.792 | 81% | 0.808 | S | S | * | * | | | trans | -128.1 | 131.3 | 162.1 | 35.9 | -22.6 | 0 | 0 | 0 | 115.1 | | |
| 208 | S | 40.9 | Very low | 46.2 | Very low | 123 Ų | 123 | 140.3 Ų | 140.3 | 86% | 0.86 | 81% | 0.807 | S | S | * | * | | | trans | 32.9 | 140.6 | 147 | -150.1 | 0 | 0 | 0 | 0 | 123.5 | | |
| 209 | S | 47.3 | Very low | 47 | Very low | 112 Ų | 112 | 142.4 Ų | 142.4 | 78% | 0.783 | 81% | 0.811 | S | S | * | * | | | trans | -78.7 | 152.4 | 176.1 | 61.6 | 0 | 0 | 0 | 0 | 115.4 | | |
| 210 | A | 40 | Very low | 48.1 | Very low | 95 Ų | 95 | 142 Ų | 142 | 79% | 0.785 | 81% | 0.811 | S | S | * | * | | | trans | -149.5 | 126.7 | 155.2 | 0 | 0 | 0 | 0 | 0 | 114 | | |
| 211 | K | 47.7 | Very low | 48.7 | Very low | 205 Ų | 205 | 143.9 Ų | 143.9 | 89% | 0.891 | 81% | 0.814 | S | S | * | * | | | trans | 43.2 | 102.5 | 149.2 | -62.8 | -179.7 | 178.3 | 178.7 | 0 | 121 | | |
| 212 | S | 47.5 | Very low | 49.6 | Very low | 122 Ų | 122 | 137.8 Ų | 137.8 | 85% | 0.853 | 80% | 0.804 | S | S | * | * | | | | 44.6 | 96.7 | 118.5 | 178.5 | 0 | 0 | 0 | 0 | 120.5 | | |
| 213 | R | 42.2 | Very low | 50.2 | Low | 234 Ų | 234 | 136.8 Ų | 136.8 | 88% | 0.883 | 79% | 0.794 | S | S | * | * | | | | -155.3 | 144 | 128.1 | -179.4 | 159.9 | -94.9 | 165.7 | -8.1 | 109.4 | Q215 | R213-Q215 PolarHBondContact O-N 3.37Š|
| 214 | L | 50.7 | Low | 51.1 | Low | 164 Ų | 164 | 136.4 Ų | 136.4 | 86% | 0.859 | 79% | 0.785 | S | S | * | * | | | trans | -66.6 | 114.9 | 177.6 | -81.5 | 160.2 | 0 | 0 | 0 | 110.8 | | |
| 215 | Q | 47.2 | Very low | 51.8 | Low | 175 Ų | 175 | 137.8 Ų | 137.8 | 82% | 0.818 | 78% | 0.778 | S | S | * | * | | | trans | -141.3 | 111.3 | 158.5 | -72.8 | -164.2 | -7.3 | 0 | 0 | 109.5 | R213 A217 | R213-Q215 PolarHBondContact O-N 3.37Å; Q215-A217 VanDerWaalsContact C-N 3.32Å; Q215-A217 PolarHBondContact O-N 3.21Å |
| 216 | T | 44.6 | Very low | 52.4 | Low | 139 Ų | 139 | 135.1 Ų | 135.1 | 85% | 0.853 | 77% | 0.773 | S | S | * | * | | | trans | -80.5 | 81.4 | 175.1 | -53.3 | 0 | 0 | 0 | 0 | 109.2 | | |
| 217 | A | 49.4 | Very low | 53.1 | Low | 72 Ų | 72 | 134.7 Ų | 134.7 | 60% | 0.595 | 77% | 0.765 | S | S | * | * | | | trans | -58.7 | 144.4 | 168.9 | 0 | 0 | 0 | 0 | 0 | 110.2 | Q215 V219 | Q215-A217 VanDerWaalsContact C-N 3.32Å; Q215-A217 PolarHBondContact O-N 3.21Å; A217-V219 PolarHBondContact O-N 2.95Å |
| 218 | P | 49.2 | Very low | 53.4 | Low | 127 Ų | 127 | 137.2 Ų | 137.2 | 83% | 0.825 | 76% | 0.764 | S | S | * | * | | | trans | -68.9 | 104.6 | -175.2 | 27.5 | -34.3 | 0 | 0 | 0 | 110.7 | P220 | P218-P220 WeakPolarHBondContact O-CD 3.45Š|
| 219 | V | 54.6 | Low | 54.2 | Low | 127 Ų | 127 | 134.9 Ų | 134.9 | 77% | 0.77 | 75% | 0.748 | S | S | * | * | P | Polyproline II helix | trans | -63 | 126.1 | 170.7 | -170.3 | 0 | 0 | 0 | 0 | 107.9 | A217 M221 | A217-V219 PolarHBondContact O-N 2.95Å; V219-M221 PolarHBondContact O-N 3.04Å; V219-M221 VanDerWaalsContact O-N 3.14Å |
| 220 | P | 65.5 | Low | 55 | Low | 119 Ų | 119 | 139.9 Ų | 139.9 | 77% | 0.773 | 76% | 0.755 | S | S | * | * | P | Polyproline II helix | trans | -58.1 | 120.9 | 178.9 | -26.3 | 35.5 | 0 | 0 | 0 | 111.1 | P218 | P218-P220 WeakPolarHBondContact O-CD 3.45Š|
| 221 | M | 52.7 | Low | 55.7 | Low | 157 Ų | 157 | 141.9 Ų | 141.9 | 77% | 0.773 | 75% | 0.751 | S | S | * | * | P | Polyproline II helix | trans | -55.3 | 137.5 | 175.6 | -76.5 | -82.6 | -77.9 | 0 | 0 | 110.2 | V219 D223 | V219-M221 PolarHBondContact O-N 3.04Å; V219-M221 VanDerWaalsContact O-N 3.14Å; M221-D223 PolarHBondContact O-N 2.91Å |
| 222 | P | 69 | Low | 56.2 | Low | 101 Ų | 101 | 134.3 Ų | 134.3 | 66% | 0.656 | 73% | 0.731 | S | S | * | * | P | Polyproline II helix | trans | -59.8 | 136.4 | 180 | 25.2 | -34.1 | 0 | 0 | 0 | 110.6 | L224 | P222-L224 PolarHBondContact O-N 2.8Š|
| 223 | D | 66.2 | Low | 56.6 | Low | 102 Ų | 102 | 132.6 Ų | 132.6 | 55% | 0.545 | 72% | 0.719 | S | S | . | * | | | trans | -71.5 | 97.5 | -164.3 | -164.1 | -6.1 | 0 | 0 | 0 | 113 | M221 K225 | M221-D223 PolarHBondContact O-N 2.91Å; D223-K225 VanDerWaalsContact CG-NZ 3.27Å; D223-K225 PolarHBondContact O-N 2.64Å; D223-K225 WeakPolarHBondContact OD1-CD 3.25Å; D223-K225 WeakPolarHBondContact OD1-CE 3.48Å; D223-K225 WeakPolarHBondContact OD1-CG 3.27Å; D223-K225 PolarHBondContact OD1-N 2.88Å; D223-K225 IonicContact OD1-NZ 3.79Å; D223-K225 PolarHBondContact OD1-NZ 2.88Å; D223-K225 VanDerWaalsContact OD1-NZ 3.12Å; D223-K225 WeakPolarHBondContact OD2-CE 3.26Å; D223-K225 IonicContact OD2-NZ 3.98Å; D223-K225 PolarHBondContact OD2-NZ 3.12Å |
| 224 | L | 61.9 | Low | 57.5 | Low | 113 Ų | 113 | 126.7 Ų | 126.7 | 59% | 0.592 | 71% | 0.709 | S | S | * | * | G | 310 helix | trans | -67.1 | -4 | -173.9 | -63.7 | 179 | 0 | 0 | 0 | 114.7 | P222 N226 V227 | P222-L224 PolarHBondContact O-N 2.8Å; L224-N226 PolarHBondContact O-N 2.8Å; L224-V227 HydrophobicContact CD2-CB 4.44Å; L224-V227 HydrophobicContact CD2-CG2 3.98Å; L224-V227 PolarHBondContact O-N 3.23Å |
| 225 | K | 63.5 | Low | 57.9 | Low | 158 Ų | 158 | 126.7 Ų | 126.7 | 69% | 0.687 | 71% | 0.705 | S | S | * | * | G | 310 helix | trans | -54.6 | -23.8 | -177 | -70.6 | 165 | -155.4 | 142.8 | 0 | 114.6 | D223 | D223-K225 VanDerWaalsContact CG-NZ 3.27Å; D223-K225 PolarHBondContact O-N 2.64Å; D223-K225 WeakPolarHBondContact OD1-CD 3.25Å; D223-K225 WeakPolarHBondContact OD1-CE 3.48Å; D223-K225 WeakPolarHBondContact OD1-CG 3.27Å; D223-K225 PolarHBondContact OD1-N 2.88Å; D223-K225 IonicContact OD1-NZ 3.79Å; D223-K225 PolarHBondContact OD1-NZ 2.88Å; D223-K225 VanDerWaalsContact OD1-NZ 3.12Å; D223-K225 WeakPolarHBondContact OD2-CE 3.26Å; D223-K225 IonicContact OD2-NZ 3.98Å; D223-K225 PolarHBondContact OD2-NZ 3.12Å |
| 226 | N | 61.8 | Low | 58.4 | Low | 149 Ų | 149 | 125.3 Ų | 125.3 | 80% | 0.797 | 70% | 0.703 | S | S | * | * | G | 310 helix | trans | -99.4 | -5.3 | 177.8 | -66.5 | -28.1 | 0 | 0 | 0 | 114.2 | L224 K228 | L224-N226 PolarHBondContact O-N 2.8Å; N226-K228 PolarHBondContact O-N 3.29Å; N226-K228 VanDerWaalsContact O-N 3.08Å |
| 227 | V | 58.2 | Low | 59.2 | Low | 112 Ų | 112 | 124.9 Ų | 124.9 | 68% | 0.679 | 70% | 0.695 | S | S | * | * | | | trans | -85.5 | 79.7 | -178.7 | -174.5 | 0 | 0 | 0 | 0 | 109.9 | L224 | L224-V227 HydrophobicContact CD2-CB 4.44Å; L224-V227 HydrophobicContact CD2-CG2 3.98Å; L224-V227 PolarHBondContact O-N 3.23Å |
| 228 | K | 60.3 | Low | 59.7 | Low | 176 Ų | 176 | 130.7 Ų | 130.7 | 77% | 0.765 | 71% | 0.707 | S | S | * | * | | | trans | -89.9 | 126.1 | 175.6 | -65.5 | -180 | -179.8 | 178.4 | 0 | 110.5 | N226 K230 | N226-K228 PolarHBondContact O-N 3.29Å; N226-K228 VanDerWaalsContact O-N 3.08Å; K228-K230 PolarHBondContact O-N 3.49Å |
| 229 | S | 59.1 | Low | 60.4 | Low | 74 Ų | 74 | 131.7 Ų | 131.7 | 52% | 0.517 | 70% | 0.7 | S | S | . | * | | | trans | -57.9 | 133.9 | 168.8 | 174.5 | 0 | 0 | 0 | 0 | 110.1 | I231 | S229-I231 VanDerWaalsContact C-N 3.26Å; S229-I231 WeakPolarHBondContact CB-O 3.36Å; S229-I231 PolarHBondContact OG-N 2.98Å; S229-I231 VanDerWaalsContact OG-N 3.12Å; S229-I231 PolarHBondContact OG-O 2.74Å |
| 230 | K | 63.3 | Low | 60.8 | Low | 216 Ų | 216 | 133.8 Ų | 133.8 | 94% | 0.939 | 70% | 0.701 | S | S | * | * | S | Bend | trans | -83.5 | -2.1 | 172.3 | -65.3 | -171.8 | 177.8 | -178.5 | 0 | 113.3 | K228 | K228-K230 PolarHBondContact O-N 3.49Š|
| 231 | I | 55.9 | Low | 60.5 | Low | 138 Ų | 138 | 132.6 Ų | 132.6 | 71% | 0.708 | 69% | 0.694 | S | S | * | * | S | Bend | trans | -107.3 | 140.5 | 171.7 | -23.5 | 176.7 | 0 | 0 | 0 | 107.6 | S229 S233 | S229-I231 VanDerWaalsContact C-N 3.26Å; S229-I231 WeakPolarHBondContact CB-O 3.36Å; S229-I231 PolarHBondContact OG-N 2.98Å; S229-I231 VanDerWaalsContact OG-N 3.12Å; S229-I231 PolarHBondContact OG-O 2.74Å; I231-S233 PolarHBondContact O-N 2.99Å |
| 232 | G | 57.5 | Low | 60.8 | Low | 45 Ų | 45 | 128.8 Ų | 128.8 | 46% | 0.464 | 70% | 0.695 | S | S | . | * | | | trans | -64.7 | 33.8 | -174.7 | 0 | 0 | 0 | 0 | 0 | 117.4 | T234 E235 | G232-T234 PolarHBondContact O-N 3.08Å; G232-E235 WeakPolarHBondContact CA-OE1 3.47Å; G232-E235 PolarHBondContact O-N 3.22Å |
| 233 | S | 56 | Low | 60.2 | Low | 86 Ų | 86 | 127.9 Ų | 127.9 | 60% | 0.601 | 70% | 0.704 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -73.7 | 12 | -169.8 | -167.5 | 0 | 0 | 0 | 0 | 115 | I231 L237 | I231-S233 PolarHBondContact O-N 2.99Å; S233-L237 VanDerWaalsContact O-CD1 3.25Å; S233-L237 WeakPolarHBondContact O-CD1 3.17Å |
| 234 | T | 60.3 | Low | 59.8 | Low | 110 Ų | 110 | 125.9 Ų | 125.9 | 68% | 0.675 | 71% | 0.707 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -129.3 | -5.7 | -177.4 | 56.2 | 0 | 0 | 0 | 0 | 114.2 | G232 N236 | G232-T234 PolarHBondContact O-N 3.08Å; T234-N236 VanDerWaalsContact C-N 3.25Å; T234-N236 PolarHBondContact O-N 2.88Å |
| 235 | E | 60.5 | Low | 59.6 | Low | 165 Ų | 165 | 130.5 Ų | 130.5 | 77% | 0.771 | 72% | 0.722 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -71.7 | -16.8 | -167.8 | -61.8 | -179.2 | -121.7 | 0 | 0 | 114 | G232 | G232-E235 WeakPolarHBondContact CA-OE1 3.47Å; G232-E235 PolarHBondContact O-N 3.22Å |
| 236 | N | 56 | Low | 59.4 | Low | 146 Ų | 146 | 129 Ų | 129 | 78% | 0.781 | 73% | 0.726 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -132.4 | 20.5 | -176 | -138.7 | -11.2 | 0 | 0 | 0 | 114.3 | T234 K238 | T234-N236 VanDerWaalsContact C-N 3.25Å; T234-N236 PolarHBondContact O-N 2.88Å; N236-K238 VanDerWaalsContact C-N 3.27Å; N236-K238 PolarHBondContact O-N 2.97Å |
| 237 | L | 62 | Low | 59.1 | Low | 129 Ų | 129 | 130.1 Ų | 130.1 | 68% | 0.675 | 73% | 0.727 | S | S | * | * | | | trans | -78.9 | 74.6 | 171.8 | -83.5 | 92.9 | 0 | 0 | 0 | 111.4 | S233 | S233-L237 VanDerWaalsContact O-CD1 3.25Å; S233-L237 WeakPolarHBondContact O-CD1 3.17Å |
| 238 | K | 60 | Low | 59.6 | Low | 195 Ų | 195 | 132 Ų | 132 | 85% | 0.848 | 73% | 0.731 | S | S | * | * | | | trans | -84.3 | 7.9 | 160.4 | -69.4 | -166.9 | 177.2 | -175.9 | 0 | 113.2 | N236 Q240 | N236-K238 VanDerWaalsContact C-N 3.27Å; N236-K238 PolarHBondContact O-N 2.97Å; K238-Q240 PolarHBondContact O-N 3.24Å |
| 239 | H | 63.9 | Low | 60 | Low | 148 Ų | 148 | 128.8 Ų | 128.8 | 69% | 0.685 | 73% | 0.726 | S | S | * | * | | | trans | -76.3 | 89 | 176 | -178.2 | -86.9 | 0 | 0 | 0 | 110.8 | P241 | H239-P241 WeakPolarHBondContact O-CD 3.48Š|
| 240 | Q | 64 | Low | 60.2 | Low | 170 Ų | 170 | 134.4 Ų | 134.4 | 79% | 0.794 | 74% | 0.737 | S | S | * | * | | | trans | -73.5 | 114.2 | 163.6 | -152.8 | 71.2 | 33.9 | 0 | 0 | 107.8 | K238 G242 | K238-Q240 PolarHBondContact O-N 3.24Å; Q240-G242 PolarHBondContact O-N 3.36Å; Q240-G242 VanDerWaalsContact O-N 3.07Å |
| 241 | P | 59.3 | Low | 60.7 | Low | 95 Ų | 95 | 132.3 Ų | 132.3 | 62% | 0.617 | 73% | 0.728 | S | S | * | * | | | trans | -66.1 | 113.1 | 178.3 | 26.8 | -32.9 | 0 | 0 | 0 | 109.3 | H239 G243 | H239-P241 WeakPolarHBondContact O-CD 3.48Å; P241-G243 PolarHBondContact O-N 3.03Å; P241-G243 VanDerWaalsContact O-N 3.08Å |
| 242 | G | 58.2 | Low | 61.5 | Low | 77 Ų | 77 | 130 Ų | 130 | 79% | 0.794 | 72% | 0.722 | S | S | * | * | | | trans | -65.8 | 107.2 | -178 | 0 | 0 | 0 | 0 | 0 | 111.4 | Q240 G244 | Q240-G242 PolarHBondContact O-N 3.36Å; Q240-G242 VanDerWaalsContact O-N 3.07Å; G242-G244 PolarHBondContact O-N 3.44Å |
| 243 | G | 57 | Low | 62.3 | Low | 82 Ų | 82 | 133.4 Ų | 133.4 | 85% | 0.845 | 73% | 0.734 | S | S | * | * | | | trans | -70.3 | 70.6 | 177.5 | 0 | 0 | 0 | 0 | 0 | 112.9 | P241 | P241-G243 PolarHBondContact O-N 3.03Å; P241-G243 VanDerWaalsContact O-N 3.08Å |
| 244 | G | 57.5 | Low | 62.7 | Low | 60 Ų | 60 | 135.3 Ų | 135.3 | 62% | 0.619 | 74% | 0.737 | S | S | * | * | | | trans | -68.7 | 130.4 | 175.7 | 0 | 0 | 0 | 0 | 0 | 111.8 | G242 V246 | G242-G244 PolarHBondContact O-N 3.44Å; G244-V246 VanDerWaalsContact C-N 3.28Å; G244-V246 PolarHBondContact O-N 3.13Å |
| 245 | K | 56.6 | Low | 63 | Low | 209 Ų | 209 | 135.6 Ų | 135.6 | 91% | 0.909 | 73% | 0.734 | S | S | * | * | | | trans | -73.6 | 80 | 171.8 | -68.9 | -174.9 | 178.3 | -177.4 | 0 | 110.3 | Q247 | K245-Q247 PolarHBondContact O-N 2.65Š|
| 246 | V | 60 | Low | 63.3 | Low | 126 Ų | 126 | 131.9 Ų | 131.9 | 76% | 0.764 | 73% | 0.727 | S | S | * | * | | | trans | -74.3 | 92.1 | 172.4 | -176.7 | 0 | 0 | 0 | 0 | 108.8 | G244 I248 | G244-V246 VanDerWaalsContact C-N 3.28Å; G244-V246 PolarHBondContact O-N 3.13Å; V246-I248 HydrophobicContact CG1-CG1 4.22Å; V246-I248 PolarHBondContact O-N 2.99Å |
| 247 | Q | 56.1 | Low | 63.4 | Low | 173 Ų | 173 | 134 Ų | 134 | 81% | 0.808 | 73% | 0.729 | S | S | * | * | | | trans | -85.4 | 98.3 | 178 | -167.2 | 163.7 | 6.9 | 0 | 0 | 109.5 | K245 V249 | K245-Q247 PolarHBondContact O-N 2.65Å; Q247-V249 PolarHBondContact O-N 2.96Å; Q247-V249 VanDerWaalsContact O-N 3.08Å |
| 248 | I | 68.9 | Low | 63.2 | Low | 152 Ų | 152 | 133 Ų | 133 | 78% | 0.779 | 73% | 0.728 | S | S | * | * | | | trans | -72.4 | 100.9 | -180 | -59 | 173.3 | 0 | 0 | 0 | 108.8 | V246 Y250 | V246-I248 HydrophobicContact CG1-CG1 4.22Å; V246-I248 PolarHBondContact O-N 2.99Å; I248-Y250 PolarHBondContact O-N 3.07Å; I248-Y250 VanDerWaalsContact O-N 3.13Å |
| 249 | V | 67.8 | Low | 63 | Low | 108 Ų | 108 | 129.3 Ų | 129.3 | 66% | 0.655 | 72% | 0.722 | S | S | * | * | | | trans | -81 | 92.1 | 179.7 | -174.2 | 0 | 0 | 0 | 0 | 109.8 | Q247 K251 | Q247-V249 PolarHBondContact O-N 2.96Å; Q247-V249 VanDerWaalsContact O-N 3.08Å; V249-K251 HydrophobicContact CG1-CG 4.12Å; V249-K251 PolarHBondContact O-N 2.98Å |
| 250 | Y | 62.4 | Low | 62.7 | Low | 192 Ų | 192 | 127.1 Ų | 127.1 | 75% | 0.753 | 72% | 0.723 | S | S | * | * | | | trans | -70.2 | 110.6 | 170.3 | -179.3 | -106.5 | 0 | 0 | 0 | 110.2 | I248 P252 | I248-Y250 PolarHBondContact O-N 3.07Å; I248-Y250 VanDerWaalsContact O-N 3.13Å; Y250-P252 HydrophobicContact CE1-CB 3.88Å; Y250-P252 HydrophobicContact CE1-CG 4.09Å |
| 251 | K | 74.4 | Confident | 62.5 | Low | 172 Ų | 172 | 128.7 Ų | 128.7 | 75% | 0.748 | 73% | 0.727 | S | S | * | * | | | trans | -105.6 | 102.6 | 168.9 | -66.9 | -171.9 | 178.9 | -176.7 | 0 | 108.6 | V249 | V249-K251 HydrophobicContact CG1-CG 4.12Å; V249-K251 PolarHBondContact O-N 2.98Å |
| 252 | P | 72.4 | Confident | 62.3 | Low | 90 Ų | 90 | 128.7 Ų | 128.7 | 58% | 0.584 | 73% | 0.728 | S | S | * | * | P | Polyproline II helix | trans | -64.7 | 138.7 | 169.2 | 28.3 | -32.3 | 0 | 0 | 0 | 109.1 | Y250 | Y250-P252 HydrophobicContact CE1-CB 3.88Å; Y250-P252 HydrophobicContact CE1-CG 4.09Å |
| 253 | V | 74.7 | Confident | 62.4 | Low | 117 Ų | 117 | 129 Ų | 129 | 71% | 0.709 | 73% | 0.732 | S | S | * | * | P | Polyproline II helix | trans | -83.9 | 117.7 | 170.8 | -178.8 | 0 | 0 | 0 | 0 | 107.3 | L255 | V253-L255 HydrophobicContact CG1-CD2 3.73Å; V253-L255 HydrophobicContact CG1-CG 4.22Å; V253-L255 PolarHBondContact O-N 3Å |
| 254 | D | 63.7 | Low | 62.1 | Low | 126 Ų | 126 | 128.2 Ų | 128.2 | 67% | 0.674 | 71% | 0.713 | S | S | * | * | P | Polyproline II helix | trans | -74.2 | 119 | 172.1 | 179.2 | 33.5 | 0 | 0 | 0 | 109.9 | S256 | D254-S256 WeakPolarHBondContact OD1-CB 3.04Å; D254-S256 PolarHBondContact OD1-N 3.49Å; D254-S256 VanDerWaalsContact OD2-CB 3.24Å; D254-S256 WeakPolarHBondContact OD2-CB 3.12Å; D254-S256 PolarHBondContact OD2-OG 3.05Å |
| 255 | L | 67.4 | Low | 62.2 | Low | 116 Ų | 116 | 134.5 Ų | 134.5 | 61% | 0.607 | 73% | 0.732 | S | S | * | * | | | trans | -106.8 | 26.4 | -177.4 | -64.7 | 177.5 | 0 | 0 | 0 | 111.9 | V253 K257 V258 | V253-L255 HydrophobicContact CG1-CD2 3.73Å; V253-L255 HydrophobicContact CG1-CG 4.22Å; V253-L255 PolarHBondContact O-N 3Å; L255-K257 PolarHBondContact O-N 2.91Å; L255-V258 HydrophobicContact CB-CG2 3.92Å; L255-V258 HydrophobicContact CD2-CG2 4.03Å; L255-V258 HydrophobicContact CG-CG2 4.46Å; L255-V258 PolarHBondContact O-N 2.94Å |
| 256 | S | 66.2 | Low | 62.3 | Low | 87 Ų | 87 | 126.6 Ų | 126.6 | 61% | 0.608 | 71% | 0.709 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -54.2 | -0.6 | -177.4 | 54.6 | 0 | 0 | 0 | 0 | 117.4 | D254 | D254-S256 WeakPolarHBondContact OD1-CB 3.04Å; D254-S256 PolarHBondContact OD1-N 3.49Å; D254-S256 VanDerWaalsContact OD2-CB 3.24Å; D254-S256 WeakPolarHBondContact OD2-CB 3.12Å; D254-S256 PolarHBondContact OD2-OG 3.05Å |
| 257 | K | 59.1 | Low | 62.2 | Low | 190 Ų | 190 | 128 Ų | 128 | 83% | 0.826 | 71% | 0.712 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -126.5 | 5.9 | 176.6 | -61.8 | -178.1 | -176.7 | 176.2 | 0 | 114.5 | L255 T259 | L255-K257 PolarHBondContact O-N 2.91Å; K257-T259 PolarHBondContact O-N 3.43Å; K257-T259 VanDerWaalsContact O-N 3.1Å |
| 258 | V | 57.3 | Low | 62.3 | Low | 108 Ų | 108 | 125.7 Ų | 125.7 | 66% | 0.655 | 71% | 0.705 | S | S | * | * | | | trans | -79.9 | 91.3 | 177 | -177.9 | 0 | 0 | 0 | 0 | 110 | L255 S260 | L255-V258 HydrophobicContact CB-CG2 3.92Å; L255-V258 HydrophobicContact CD2-CG2 4.03Å; L255-V258 HydrophobicContact CG-CG2 4.46Å; L255-V258 PolarHBondContact O-N 2.94Å; V258-S260 PolarHBondContact O-N 3.12Å |
| 259 | T | 55.8 | Low | 61.8 | Low | 118 Ų | 118 | 126.3 Ų | 126.3 | 72% | 0.724 | 70% | 0.704 | S | S | * | * | | | trans | -84.3 | 109.1 | 172.8 | 55.5 | 0 | 0 | 0 | 0 | 110.6 | K257 K261 | K257-T259 PolarHBondContact O-N 3.43Å; K257-T259 VanDerWaalsContact O-N 3.1Å; T259-K261 PolarHBondContact O-N 2.69Å |
| 260 | S | 57.7 | Low | 61.3 | Low | 101 Ų | 101 | 128.3 Ų | 128.3 | 71% | 0.706 | 71% | 0.706 | S | S | * | * | | | trans | -72.1 | 110.7 | 176.4 | 43.8 | 0 | 0 | 0 | 0 | 110.7 | V258 C262 | V258-S260 PolarHBondContact O-N 3.12Å; S260-C262 PolarHBondContact O-N 3.33Å |
| 261 | K | 59.6 | Low | 61.3 | Low | 203 Ų | 203 | 128 Ų | 128 | 88% | 0.883 | 71% | 0.708 | S | S | * | * | | | trans | -72.6 | 22.6 | 172 | -66.8 | -73 | -174.2 | 173 | 0 | 113.5 | T259 G263 | T259-K261 PolarHBondContact O-N 2.69Å; K261-G263 PolarHBondContact O-N 3.24Å |
| 262 | C | 56.3 | Low | 60.5 | Low | 95 Ų | 95 | 124.7 Ų | 124.7 | 64% | 0.642 | 70% | 0.704 | S | S | * | * | | | trans | -94.1 | 90.3 | 178.2 | -171.1 | 0 | 0 | 0 | 0 | 109.8 | S260 S264 | S260-C262 PolarHBondContact O-N 3.33Å; C262-S264 PolarHBondContact O-N 2.96Å |
| 263 | G | 58.8 | Low | 59.6 | Low | 85 Ų | 85 | 124 Ų | 124 | 88% | 0.876 | 71% | 0.713 | S | S | * | * | | | trans | -73.5 | 59.7 | 178.6 | 0 | 0 | 0 | 0 | 0 | 113.6 | K261 | K261-G263 PolarHBondContact O-N 3.24Š|
| 264 | S | 51.5 | Low | 58.5 | Low | 65 Ų | 65 | 122.1 Ų | 122.1 | 46% | 0.455 | 72% | 0.717 | S | S | . | * | | | trans | -104.4 | 80.8 | -177.4 | -165.6 | 0 | 0 | 0 | 0 | 111.7 | C262 G266 | C262-S264 PolarHBondContact O-N 2.96Å; S264-G266 PolarHBondContact O-N 3.25Å |
| 265 | L | 59.1 | Low | 57.8 | Low | 192 Ų | 192 | 119.4 Ų | 119.4 | 100% | 1.005 | 72% | 0.719 | S | S | * | * | | | trans | -80.7 | 62.2 | 167.1 | -70 | 176.7 | 0 | 0 | 0 | 110.6 | | |
| 266 | G | 59.3 | Low | 57.1 | Low | 42 Ų | 42 | 122.4 Ų | 122.4 | 43% | 0.433 | 73% | 0.73 | S | S | . | * | S | Bend | trans | -145.2 | 140.9 | 173.9 | 0 | 0 | 0 | 0 | 0 | 109.8 | S264 I268 | S264-G266 PolarHBondContact O-N 3.25Å; G266-I268 WeakPolarHBondContact O-CG1 3.33Å; G266-I268 PolarHBondContact O-N 3.2Å |
| 267 | N | 57.8 | Low | 56.6 | Low | 155 Ų | 155 | 124.4 Ų | 124.4 | 83% | 0.829 | 74% | 0.739 | S | S | * | * | | | trans | -58.3 | 82.4 | -163.2 | -67.6 | -33.3 | 0 | 0 | 0 | 115.7 | H269 | N267-H269 PolarHBondContact O-N 3.19Å; N267-H269 PolarHBondContact O-ND1 3.28Å |
| 268 | I | 58.6 | Low | 56.5 | Low | 126 Ų | 126 | 121.4 Ų | 121.4 | 65% | 0.646 | 73% | 0.727 | S | S | * | * | | | trans | -68.6 | 96.1 | 179 | -44.3 | -175 | 0 | 0 | 0 | 110 | G266 H270 | G266-I268 WeakPolarHBondContact O-CG1 3.33Å; G266-I268 PolarHBondContact O-N 3.2Å; I268-H270 PolarHBondContact O-N 3.17Å |
| 269 | H | 57.9 | Low | 56.6 | Low | 164 Ų | 164 | 122.2 Ų | 122.2 | 76% | 0.759 | 73% | 0.732 | S | S | * | * | | | trans | -73.5 | 72.9 | 171.5 | -81.7 | 73 | 0 | 0 | 0 | 110.8 | N267 K271 | N267-H269 PolarHBondContact O-N 3.19Å; N267-H269 PolarHBondContact O-ND1 3.28Å; H269-K271 PolarHBondContact O-N 3.12Å |
| 270 | H | 58 | Low | 56.3 | Low | 150 Ų | 150 | 124.2 Ų | 124.2 | 69% | 0.694 | 73% | 0.731 | S | S | * | * | | | trans | -67.9 | 89.8 | 175.9 | 178.5 | -99.2 | 0 | 0 | 0 | 111 | I268 P272 | I268-H270 PolarHBondContact O-N 3.17Å; H270-P272 WeakPolarHBondContact O-CD 3.47Å |
| 271 | K | 61 | Low | 56.3 | Low | 187 Ų | 187 | 125 Ų | 125 | 81% | 0.813 | 74% | 0.736 | S | S | * | * | | | trans | -84.6 | 110.4 | 160 | -69.7 | -176.4 | 179 | 179.5 | 0 | 107.7 | H269 G273 | H269-K271 PolarHBondContact O-N 3.12Å; K271-G273 PolarHBondContact O-N 2.88Å |
| 272 | P | 59.4 | Low | 56.4 | Low | 102 Ų | 102 | 122.6 Ų | 122.6 | 66% | 0.662 | 73% | 0.728 | S | S | * | * | | | trans | -64.8 | 108.5 | 174.2 | 25.6 | -32.2 | 0 | 0 | 0 | 109 | H270 G274 | H270-P272 WeakPolarHBondContact O-CD 3.47Å; P272-G274 PolarHBondContact O-N 3.48Å |
| 273 | G | 52.4 | Low | 56.6 | Low | 75 Ų | 75 | 127.5 Ų | 127.5 | 77% | 0.773 | 74% | 0.739 | S | S | * | * | | | trans | -64.6 | 114.8 | 176 | 0 | 0 | 0 | 0 | 0 | 110.1 | K271 G275 | K271-G273 PolarHBondContact O-N 2.88Å; G273-G275 PolarHBondContact O-N 2.97Å |
| 274 | G | 51.6 | Low | 56.8 | Low | 77 Ų | 77 | 128.2 Ų | 128.2 | 79% | 0.794 | 72% | 0.722 | S | S | * | * | | | trans | -59.4 | 122.7 | 175.8 | 0 | 0 | 0 | 0 | 0 | 110.4 | P272 Q276 | P272-G274 PolarHBondContact O-N 3.48Å; G274-Q276 PolarHBondContact O-N 2.81Å |
| 275 | G | 50.2 | Low | 57.1 | Low | 69 Ų | 69 | 130.8 Ų | 130.8 | 71% | 0.711 | 73% | 0.73 | S | S | * | * | | | trans | -59.9 | 122.9 | -173.3 | 0 | 0 | 0 | 0 | 0 | 112.6 | G273 V277 | G273-G275 PolarHBondContact O-N 2.97Å; G275-V277 PolarHBondContact O-N 3.28Å |
| 276 | Q | 52 | Low | 57.2 | Low | 180 Ų | 180 | 128 Ų | 128 | 84% | 0.841 | 71% | 0.71 | S | S | * | * | | | trans | -75.2 | 90.6 | 176.2 | -177.1 | 168.2 | -19 | 0 | 0 | 110.1 | G274 E278 | G274-Q276 PolarHBondContact O-N 2.81Å; Q276-E278 VanDerWaalsContact C-N 3.26Å; Q276-E278 PolarHBondContact O-N 3.02Å |
| 277 | V | 56.3 | Low | 57.3 | Low | 129 Ų | 129 | 133.1 Ų | 133.1 | 78% | 0.782 | 72% | 0.721 | S | S | * | * | | | trans | -75.1 | 79.7 | 174.2 | -173.6 | 0 | 0 | 0 | 0 | 109.6 | G275 V279 | G275-V277 PolarHBondContact O-N 3.28Å; V277-V279 HydrophobicContact CG1-CG2 4.11Å; V277-V279 PolarHBondContact O-N 3.14Å; V277-V279 VanDerWaalsContact O-N 3.16Å |
| 278 | E | 56.9 | Low | 57.4 | Low | 127 Ų | 127 | 132.7 Ų | 132.7 | 59% | 0.593 | 72% | 0.718 | S | S | * | * | | | trans | -72.9 | 99.6 | 169 | -173.9 | -177.4 | -145.2 | 0 | 0 | 109.7 | Q276 K280 | Q276-E278 VanDerWaalsContact C-N 3.26Å; Q276-E278 PolarHBondContact O-N 3.02Å; E278-K280 VanDerWaalsContact C-N 3.31Å; E278-K280 HydrophobicContact CG-CG 4.06Å; E278-K280 PolarHBondContact O-N 3.42Å; E278-K280 WeakPolarHBondContact OE2-CE 3.1Å; E278-K280 IonicContact OE2-NZ 3.12Å |
| 279 | V | 59.5 | Low | 57.5 | Low | 125 Ų | 125 | 137.7 Ų | 137.7 | 76% | 0.758 | 73% | 0.729 | S | S | * | * | | | trans | -74.8 | 86.2 | 173.6 | -175.6 | 0 | 0 | 0 | 0 | 109.3 | V277 S281 | V277-V279 HydrophobicContact CG1-CG2 4.11Å; V277-V279 PolarHBondContact O-N 3.14Å; V277-V279 VanDerWaalsContact O-N 3.16Å; V279-S281 PolarHBondContact O-N 3.23Å; V279-S281 VanDerWaalsContact O-N 3.13Å |
| 280 | K | 49.2 | Very low | 57.3 | Low | 160 Ų | 160 | 135.1 Ų | 135.1 | 70% | 0.696 | 73% | 0.725 | S | S | * | * | | | trans | -64.1 | 109.6 | 174.2 | -66.8 | -176.8 | -179.1 | 178.7 | 0 | 110 | E278 E282 | E278-K280 VanDerWaalsContact C-N 3.31Å; E278-K280 HydrophobicContact CG-CG 4.06Å; E278-K280 PolarHBondContact O-N 3.42Å; E278-K280 WeakPolarHBondContact OE2-CE 3.1Å; E278-K280 IonicContact OE2-NZ 3.12Å; K280-E282 PolarHBondContact O-N 3.06Å |
| 281 | S | 57.1 | Low | 57.1 | Low | 116 Ų | 116 | 135.9 Ų | 135.9 | 81% | 0.811 | 73% | 0.728 | S | S | * | * | | | trans | -80.8 | 63.2 | 176.1 | 45.8 | 0 | 0 | 0 | 0 | 111.6 | V279 K283 | V279-S281 PolarHBondContact O-N 3.23Å; V279-S281 VanDerWaalsContact O-N 3.13Å; S281-K283 PolarHBondContact O-N 2.89Å |
| 282 | E | 62 | Low | 56.9 | Low | 154 Ų | 154 | 131.5 Ų | 131.5 | 72% | 0.72 | 72% | 0.721 | S | S | * | * | | | trans | -58.9 | 133.6 | 168.4 | -174.7 | 171.7 | -179.3 | 0 | 0 | 110.1 | K280 L284 | K280-E282 PolarHBondContact O-N 3.06Å; E282-L284 HydrophobicContact CG-CD2 4.49Å; E282-L284 PolarHBondContact O-N 3.46Å |
| 283 | K | 59.8 | Low | 56.8 | Low | 198 Ų | 198 | 136.6 Ų | 136.6 | 86% | 0.861 | 73% | 0.733 | S | S | * | * | | | trans | -78 | 74.7 | 177.5 | -76.5 | -170.9 | 175.5 | -177.7 | 0 | 110.5 | S281 D285 | S281-K283 PolarHBondContact O-N 2.89Å; K283-D285 PolarHBondContact O-N 2.97Å |
| 284 | L | 63.1 | Low | 56.9 | Low | 100 Ų | 100 | 139.9 Ų | 139.9 | 52% | 0.524 | 73% | 0.732 | S | S | . | * | | | trans | -63.1 | 107.1 | 167.9 | -66.6 | 176.6 | 0 | 0 | 0 | 109.2 | E282 F286 | E282-L284 HydrophobicContact CG-CD2 4.49Å; E282-L284 PolarHBondContact O-N 3.46Å; L284-F286 VanDerWaalsContact C-N 3.31Å; L284-F286 HydrophobicContact CB-CD2 4.17Å; L284-F286 HydrophobicContact CB-CE1 4.03Å; L284-F286 HydrophobicContact CB-CE2 3.58Å; L284-F286 HydrophobicContact CB-CZ 3.5Å; L284-F286 HydrophobicContact CD1-CE1 4.29Å; L284-F286 HydrophobicContact CD1-CE2 4.44Å; L284-F286 HydrophobicContact CD1-CZ 3.7Å; L284-F286 HydrophobicContact CG-CZ 4.26Å; L284-F286 WeakPolarHBondContact O-CD2 2.79Å; L284-F286 PolarHBondContact O-N 3.07Å |
| 285 | D | 58 | Low | 57 | Low | 118 Ų | 118 | 140.3 Ų | 140.3 | 63% | 0.631 | 74% | 0.736 | S | S | * | * | | | trans | -81.5 | 76.4 | -175 | -121.6 | -29.1 | 0 | 0 | 0 | 110.4 | K283 K287 | K283-D285 PolarHBondContact O-N 2.97Å; D285-K287 PolarHBondContact O-N 3.13Å; D285-K287 IonicContact OD1-NZ 2.65Å; D285-K287 PolarHBondContact OD1-NZ 3.15Å; D285-K287 IonicContact OD2-NZ 3.07Å; D285-K287 PolarHBondContact OD2-NZ 2.99Å; D285-K287 VanDerWaalsContact OD2-NZ 3.07Å |
| 286 | F | 60.3 | Low | 57 | Low | 133 Ų | 133 | 140.8 Ų | 140.8 | 58% | 0.583 | 73% | 0.728 | S | S | * | * | G | 310 helix | trans | -63.8 | 8.8 | -173.5 | -64.6 | -70.8 | 0 | 0 | 0 | 116.2 | L284 D288 R289 V290 | L284-F286 VanDerWaalsContact C-N 3.31Å; L284-F286 HydrophobicContact CB-CD2 4.17Å; L284-F286 HydrophobicContact CB-CE1 4.03Å; L284-F286 HydrophobicContact CB-CE2 3.58Å; L284-F286 HydrophobicContact CB-CZ 3.5Å; L284-F286 HydrophobicContact CD1-CE1 4.29Å; L284-F286 HydrophobicContact CD1-CE2 4.44Å; L284-F286 HydrophobicContact CD1-CZ 3.7Å; L284-F286 HydrophobicContact CG-CZ 4.26Å; L284-F286 WeakPolarHBondContact O-CD2 2.79Å; L284-F286 PolarHBondContact O-N 3.07Å; F286-D288 VanDerWaalsContact C-N 3.28Å; F286-D288 PolarHBondContact O-N 2.93Å; F286-R289 PolarHBondContact O-N 3.16Å; F286-V290 HydrophobicContact CB-CG2 3.96Å; F286-V290 PolarHBondContact O-N 3.15Å |
| 287 | K | 62.9 | Low | 57.1 | Low | 151 Ų | 151 | 140.4 Ų | 140.4 | 66% | 0.657 | 73% | 0.731 | S | S | * | * | G | 310 helix | trans | -51.1 | -43.5 | -173.9 | -62.1 | -169.8 | -177.8 | 82.5 | 0 | 113 | D285 | D285-K287 PolarHBondContact O-N 3.13Å; D285-K287 IonicContact OD1-NZ 2.65Å; D285-K287 PolarHBondContact OD1-NZ 3.15Å; D285-K287 IonicContact OD2-NZ 3.07Å; D285-K287 PolarHBondContact OD2-NZ 2.99Å; D285-K287 VanDerWaalsContact OD2-NZ 3.07Å |
| 288 | D | 59.5 | Low | 57.2 | Low | 145 Ų | 145 | 139.2 Ų | 139.2 | 78% | 0.775 | 72% | 0.72 | S | S | * | * | G | 310 helix | trans | -88.1 | -9.1 | -170.7 | -58.3 | -28.7 | 0 | 0 | 0 | 114.2 | F286 | F286-D288 VanDerWaalsContact C-N 3.28Å; F286-D288 PolarHBondContact O-N 2.93Å |
| 289 | R | 59.5 | Low | 57.1 | Low | 232 Ų | 232 | 140.8 Ų | 140.8 | 88% | 0.875 | 73% | 0.733 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -113.2 | -14.1 | -177.1 | -66.9 | -170.2 | 179.6 | -167.1 | 0.2 | 114.8 | F286 Q291 | F286-R289 PolarHBondContact O-N 3.16Å; R289-Q291 VanDerWaalsContact C-N 3.33Å; R289-Q291 PolarHBondContact O-N 2.81Å; R289-Q291 VanDerWaalsContact O-N 3.12Å |
| 290 | V | 54.9 | Low | 57 | Low | 109 Ų | 109 | 141.4 Ų | 141.4 | 66% | 0.661 | 73% | 0.731 | S | S | * | * | | | trans | -88.1 | 70.2 | 176.3 | -174.8 | 0 | 0 | 0 | 0 | 110.6 | F286 S292 | F286-V290 HydrophobicContact CB-CG2 3.96Å; F286-V290 PolarHBondContact O-N 3.15Å; V290-S292 PolarHBondContact O-N 3.08Å |
| 291 | Q | 54.4 | Low | 57.3 | Low | 166 Ų | 166 | 139.7 Ų | 139.7 | 78% | 0.776 | 73% | 0.733 | S | S | * | * | | | trans | -86 | 105.5 | 169.1 | -67 | -171.8 | 3.3 | 0 | 0 | 110.2 | R289 K293 | R289-Q291 VanDerWaalsContact C-N 3.33Å; R289-Q291 PolarHBondContact O-N 2.81Å; R289-Q291 VanDerWaalsContact O-N 3.12Å; Q291-K293 PolarHBondContact O-N 3.03Å; Q291-K293 VanDerWaalsContact O-N 3.17Å |
| 292 | S | 55.3 | Low | 57.1 | Low | 95 Ų | 95 | 141.3 Ų | 141.3 | 66% | 0.664 | 73% | 0.728 | S | S | * | * | | | trans | -68.1 | 109.2 | 176.7 | 52.5 | 0 | 0 | 0 | 0 | 111.1 | V290 I294 | V290-S292 PolarHBondContact O-N 3.08Å; S292-I294 PolarHBondContact O-N 3.25Å |
| 293 | K | 58.3 | Low | 57.1 | Low | 210 Ų | 210 | 139.5 Ų | 139.5 | 91% | 0.913 | 73% | 0.727 | S | S | * | * | S | Bend | trans | -72 | 26.6 | 174.4 | -65 | -173.1 | 177.3 | -179.6 | 0 | 114.2 | Q291 | Q291-K293 PolarHBondContact O-N 3.03Å; Q291-K293 VanDerWaalsContact O-N 3.17Å |
| 294 | I | 54.4 | Low | 57 | Low | 144 Ų | 144 | 134.7 Ų | 134.7 | 74% | 0.738 | 72% | 0.716 | S | S | * | * | S | Bend | trans | -125.5 | 114.7 | 173.2 | -60.4 | 175 | 0 | 0 | 0 | 105.5 | S292 S296 | S292-I294 PolarHBondContact O-N 3.25Å; I294-S296 PolarHBondContact O-N 3.27Å |
| 295 | G | 53.1 | Low | 56.7 | Low | 86 Ų | 86 | 133.9 Ų | 133.9 | 89% | 0.887 | 73% | 0.732 | S | S | * | * | | | trans | -79.9 | 77.3 | -165.8 | 0 | 0 | 0 | 0 | 0 | 114.8 | | |
| 296 | S | 49.9 | Very low | 56.4 | Low | 78 Ų | 78 | 131.4 Ų | 131.4 | 55% | 0.545 | 73% | 0.734 | S | S | . | * | | | trans | -95.1 | 110.6 | 157.2 | -129.8 | 0 | 0 | 0 | 0 | 108.3 | I294 D298 | I294-S296 PolarHBondContact O-N 3.27Å; S296-D298 WeakPolarHBondContact CB-OD2 3.42Å; S296-D298 PolarHBondContact O-N 2.92Å; S296-D298 PolarHBondContact OG-OD2 2.84Å |
| 297 | L | 55.5 | Low | 56 | Low | 173 Ų | 173 | 128.6 Ų | 128.6 | 91% | 0.906 | 74% | 0.743 | S | S | * | * | | | trans | -82.8 | 47.5 | 173.5 | -78 | 171 | 0 | 0 | 0 | 111 | | |
| 298 | D | 58.3 | Low | 55.4 | Low | 103 Ų | 103 | 129.4 Ų | 129.4 | 55% | 0.551 | 76% | 0.755 | S | S | * | * | | | trans | -113.9 | 122.8 | -176.6 | -61.4 | -74.8 | 0 | 0 | 0 | 109.3 | S296 I300 | S296-D298 WeakPolarHBondContact CB-OD2 3.42Å; S296-D298 PolarHBondContact O-N 2.92Å; S296-D298 PolarHBondContact OG-OD2 2.84Å; D298-I300 HydrophobicContact CB-CD1 4.46Å; D298-I300 HydrophobicContact CB-CG1 4.13Å; D298-I300 PolarHBondContact O-N 3.43Å |
| 299 | N | 53.5 | Low | 55.5 | Low | 161 Ų | 161 | 132.1 Ų | 132.1 | 86% | 0.861 | 76% | 0.759 | S | S | * | * | | | trans | -77.1 | 63.2 | -175.9 | -67.1 | -79.8 | 0 | 0 | 0 | 111.3 | T301 | N299-T301 VanDerWaalsContact C-N 3.32Å; N299-T301 PolarHBondContact O-N 3.34Å |
| 300 | I | 56.9 | Low | 55.3 | Low | 138 Ų | 138 | 129.1 Ų | 129.1 | 71% | 0.708 | 75% | 0.753 | S | S | * | * | | | trans | -74.6 | 86.7 | 179 | -54.6 | 179.9 | 0 | 0 | 0 | 108.7 | D298 H302 | D298-I300 HydrophobicContact CB-CD1 4.46Å; D298-I300 HydrophobicContact CB-CG1 4.13Å; D298-I300 PolarHBondContact O-N 3.43Å; I300-H302 HydrophobicContact CG2-CB 4.42Å; I300-H302 PolarHBondContact O-N 2.82Å |
| 301 | T | 55.4 | Low | 55.7 | Low | 123 Ų | 123 | 131.1 Ų | 131.1 | 76% | 0.755 | 76% | 0.758 | S | S | * | * | | | trans | -68.2 | 77.6 | 168.3 | -47.1 | 0 | 0 | 0 | 0 | 109.5 | N299 V303 | N299-T301 VanDerWaalsContact C-N 3.32Å; N299-T301 PolarHBondContact O-N 3.34Å; T301-V303 VanDerWaalsContact C-N 3.34Å; T301-V303 HydrophobicContact CG2-CG2 4.27Å; T301-V303 PolarHBondContact O-N 3.05Å |
| 302 | H | 54.4 | Low | 55.8 | Low | 150 Ų | 150 | 129 Ų | 129 | 69% | 0.694 | 75% | 0.749 | S | S | * | * | | | trans | -69.7 | 89.5 | 178.2 | 177.6 | -89.3 | 0 | 0 | 0 | 110.3 | I300 P304 | I300-H302 HydrophobicContact CG2-CB 4.42Å; I300-H302 PolarHBondContact O-N 2.82Å; H302-P304 VanDerWaalsContact O-CD 3.27Å; H302-P304 WeakPolarHBondContact O-CD 3.31Å |
| 303 | V | 61.9 | Low | 55.9 | Low | 116 Ų | 116 | 130.8 Ų | 130.8 | 70% | 0.703 | 76% | 0.755 | S | S | * | * | | | trans | -79 | 110.4 | 166.5 | -177.6 | 0 | 0 | 0 | 0 | 107.7 | T301 G305 | T301-V303 VanDerWaalsContact C-N 3.34Å; T301-V303 HydrophobicContact CG2-CG2 4.27Å; T301-V303 PolarHBondContact O-N 3.05Å; V303-G305 PolarHBondContact O-N 2.92Å; V303-G305 VanDerWaalsContact O-N 3.12Å |
| 304 | P | 58 | Low | 56 | Low | 97 Ų | 97 | 128.2 Ų | 128.2 | 63% | 0.63 | 75% | 0.746 | S | S | * | * | | | trans | -66.2 | 114.9 | 178.2 | 26.8 | -33.2 | 0 | 0 | 0 | 109.8 | H302 G306 | H302-P304 VanDerWaalsContact O-CD 3.27Å; H302-P304 WeakPolarHBondContact O-CD 3.31Å; P304-G306 PolarHBondContact O-N 3Å |
| 305 | G | 56.5 | Low | 56.3 | Low | 84 Ų | 84 | 130.6 Ų | 130.6 | 87% | 0.866 | 75% | 0.751 | S | S | * | * | | | trans | -65.9 | 90.2 | -177 | 0 | 0 | 0 | 0 | 0 | 112.8 | V303 | V303-G305 PolarHBondContact O-N 2.92Å; V303-G305 VanDerWaalsContact O-N 3.12Å |
| 306 | G | 50.5 | Low | 57 | Low | 65 Ų | 65 | 132 Ų | 132 | 67% | 0.67 | 74% | 0.738 | S | S | * | * | | | trans | -74.3 | 138.7 | -175.4 | 0 | 0 | 0 | 0 | 0 | 114.7 | P304 | P304-G306 PolarHBondContact O-N 3Š|
| 307 | G | 53.1 | Low | 57.6 | Low | 75 Ų | 75 | 133.5 Ų | 133.5 | 77% | 0.773 | 74% | 0.744 | S | S | * | * | | | trans | 66.6 | 71 | 142.8 | 0 | 0 | 0 | 0 | 0 | 118.9 | | |
| 308 | N | 50.3 | Low | 57.9 | Low | 167 Ų | 167 | 132.7 Ų | 132.7 | 89% | 0.893 | 73% | 0.733 | S | S | * | * | | | trans | -130.2 | 53.8 | 163.1 | -85.4 | -66.1 | 0 | 0 | 0 | 112.7 | K310 | N308-K310 PolarHBondContact O-N 3.14Š|
| 309 | K | 61.6 | Low | 58.1 | Low | 202 Ų | 202 | 139.5 Ų | 139.5 | 88% | 0.878 | 75% | 0.751 | S | S | * | * | | | trans | -83.2 | 92.4 | 166 | -77.3 | -170 | 178.1 | -178.4 | 0 | 109.6 | I311 | K309-I311 PolarHBondContact O-N 3.46Š|
| 310 | K | 55.7 | Low | 58.5 | Low | 170 Ų | 170 | 139.9 Ų | 139.9 | 74% | 0.739 | 75% | 0.748 | S | S | * | * | | | trans | -71.8 | 106.2 | 175.8 | -166.3 | -172.1 | 180 | -149.9 | 0 | 109.7 | N308 E312 | N308-K310 PolarHBondContact O-N 3.14Å; K310-E312 HydrophobicContact CD-CG 4.34Å; K310-E312 WeakPolarHBondContact CE-OE1 3.36Å; K310-E312 HydrophobicContact CG-CG 4.27Å; K310-E312 IonicContact NZ-OE1 2.69Å; K310-E312 PolarHBondContact NZ-OE1 3.02Å |
| 311 | I | 61.9 | Low | 58.7 | Low | 151 Ų | 151 | 140.7 Ų | 140.7 | 77% | 0.774 | 75% | 0.754 | S | S | * | * | | | trans | -83.7 | 112.8 | 175.6 | -59.1 | 176.3 | 0 | 0 | 0 | 107.9 | K309 | K309-I311 PolarHBondContact O-N 3.46Š|
| 312 | E | 57 | Low | 58.9 | Low | 122 Ų | 122 | 138.7 Ų | 138.7 | 57% | 0.57 | 75% | 0.75 | S | S | * | * | | | trans | -93.7 | 106.2 | -175.5 | -59.2 | -162.3 | 137.1 | 0 | 0 | 111.3 | K310 H314 | K310-E312 HydrophobicContact CD-CG 4.34Å; K310-E312 WeakPolarHBondContact CE-OE1 3.36Å; K310-E312 HydrophobicContact CG-CG 4.27Å; K310-E312 IonicContact NZ-OE1 2.69Å; K310-E312 PolarHBondContact NZ-OE1 3.02Å; E312-H314 PolarHBondContact O-N 3.06Å |
| 313 | T | 56.7 | Low | 59.3 | Low | 131 Ų | 131 | 140.9 Ų | 140.9 | 80% | 0.804 | 76% | 0.757 | S | S | * | * | | | trans | -84.4 | 101.6 | -175.2 | -56.5 | 0 | 0 | 0 | 0 | 111.9 | | |
| 314 | H | 61.8 | Low | 59.3 | Low | 156 Ų | 156 | 139.5 Ų | 139.5 | 72% | 0.722 | 76% | 0.758 | S | S | * | * | | | trans | -86.7 | 109.8 | 172.7 | -73.3 | -92 | 0 | 0 | 0 | 111.8 | E312 L316 | E312-H314 PolarHBondContact O-N 3.06Å; H314-L316 PolarHBondContact O-N 3.42Å |
| 315 | K | 60.2 | Low | 59.6 | Low | 195 Ų | 195 | 144.9 Ų | 144.9 | 85% | 0.848 | 77% | 0.771 | S | S | * | * | | | trans | -79.1 | 97.7 | 176 | -174.1 | -174.8 | 179.5 | -176 | 0 | 111 | | |
| 316 | L | 67 | Low | 59.8 | Low | 115 Ų | 115 | 146 Ų | 146 | 60% | 0.602 | 76% | 0.761 | S | S | * | * | | | trans | -83.9 | 133.2 | 175.7 | -67.7 | 169.8 | 0 | 0 | 0 | 111.8 | H314 F318 | H314-L316 PolarHBondContact O-N 3.42Å; L316-F318 HydrophobicContact CB-CD1 4.44Å; L316-F318 HydrophobicContact CB-CD2 4.25Å; L316-F318 HydrophobicContact CB-CE1 3.84Å; L316-F318 HydrophobicContact CB-CE2 3.63Å; L316-F318 HydrophobicContact CB-CZ 3.41Å; L316-F318 VanDerWaalsContact CB-CZ 3.41Å; L316-F318 HydrophobicContact CD1-CE1 4.01Å; L316-F318 HydrophobicContact CD1-CZ 3.66Å; L316-F318 HydrophobicContact CG-CZ 4.18Å; L316-F318 WeakPolarHBondContact O-CD2 3.26Å; L316-F318 PolarHBondContact O-N 2.73Å |
| 317 | T | 63.7 | Low | 60 | Low | 109 Ų | 109 | 150.2 Ų | 150.2 | 67% | 0.669 | 77% | 0.769 | S | S | * | * | | | trans | -97 | 71.1 | -175.3 | 44.2 | 0 | 0 | 0 | 0 | 112.3 | R319 | T317-R319 PolarHBondContact O-N 3.31Š|
| 318 | F | 60.7 | Low | 59.9 | Low | 156 Ų | 156 | 154.4 Ų | 154.4 | 68% | 0.684 | 77% | 0.768 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -64.1 | -2 | -173.2 | -55.3 | -76 | 0 | 0 | 0 | 117 | L316 A322 | L316-F318 HydrophobicContact CB-CD1 4.44Å; L316-F318 HydrophobicContact CB-CD2 4.25Å; L316-F318 HydrophobicContact CB-CE1 3.84Å; L316-F318 HydrophobicContact CB-CE2 3.63Å; L316-F318 HydrophobicContact CB-CZ 3.41Å; L316-F318 VanDerWaalsContact CB-CZ 3.41Å; L316-F318 HydrophobicContact CD1-CE1 4.01Å; L316-F318 HydrophobicContact CD1-CZ 3.66Å; L316-F318 HydrophobicContact CG-CZ 4.18Å; L316-F318 WeakPolarHBondContact O-CD2 3.26Å; L316-F318 PolarHBondContact O-N 2.73Å; F318-A322 WeakPolarHBondContact O-CB 3.28Å |
| 319 | R | 63.8 | Low | 60.2 | Low | 246 Ų | 246 | 150.8 Ų | 150.8 | 93% | 0.928 | 77% | 0.77 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -77.9 | -19.4 | -167.9 | -82 | -173.3 | 169.2 | 174.5 | -3.7 | 116.1 | T317 | T317-R319 PolarHBondContact O-N 3.31Š|
| 320 | E | 61.7 | Low | 59.8 | Low | 170 Ų | 170 | 145.2 Ų | 145.2 | 79% | 0.794 | 76% | 0.761 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -99.2 | -27.4 | -169.7 | -68.4 | 172.3 | 174.8 | 0 | 0 | 114.1 | | |
| 321 | N | 60.5 | Low | 59.6 | Low | 155 Ų | 155 | 146.2 Ų | 146.2 | 83% | 0.829 | 77% | 0.769 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -102.5 | -6.9 | -176.4 | -70.5 | -66.3 | 0 | 0 | 0 | 114.2 | K323 | N321-K323 PolarHBondContact O-N 2.82Š|
| 322 | A | 59.7 | Low | 59.5 | Low | 81 Ų | 81 | 146 Ų | 146 | 67% | 0.669 | 77% | 0.768 | S | S | * | * | | | trans | -91.3 | 72.2 | -175.8 | 0 | 0 | 0 | 0 | 0 | 112.7 | F318 A324 | F318-A322 WeakPolarHBondContact O-CB 3.28Å; A322-A324 PolarHBondContact O-N 3.03Å |
| 323 | K | 62.8 | Low | 59.4 | Low | 196 Ų | 196 | 146 Ų | 146 | 85% | 0.852 | 78% | 0.776 | S | S | * | * | | | trans | -78.6 | 108 | 167.8 | -84.6 | -163.9 | 173.5 | -171.7 | 0 | 111.1 | N321 K325 | N321-K323 PolarHBondContact O-N 2.82Å; K323-K325 PolarHBondContact O-N 3.32Å |
| 324 | A | 63 | Low | 58.9 | Low | 87 Ų | 87 | 149.8 Ų | 149.8 | 72% | 0.719 | 78% | 0.777 | S | S | * | * | | | trans | -64.3 | 120.3 | 165.2 | 0 | 0 | 0 | 0 | 0 | 109.9 | A322 T326 | A322-A324 PolarHBondContact O-N 3.03Å; A324-T326 VanDerWaalsContact C-N 3.35Å; A324-T326 PolarHBondContact O-N 3.39Å |
| 325 | K | 62.6 | Low | 58.2 | Low | 209 Ų | 209 | 151.5 Ų | 151.5 | 91% | 0.909 | 78% | 0.782 | S | S | * | * | | | trans | -87 | 75.1 | 170.2 | -76.6 | -171 | 172.7 | -172.9 | 0 | 109.9 | K323 D327 | K323-K325 PolarHBondContact O-N 3.32Å; K325-D327 PolarHBondContact O-N 3.17Å |
| 326 | T | 60.8 | Low | 57.3 | Low | 107 Ų | 107 | 146 Ų | 146 | 66% | 0.656 | 77% | 0.768 | S | S | * | * | | | trans | -83.4 | 103.8 | 168.7 | -51.1 | 0 | 0 | 0 | 0 | 108.3 | A324 H328 | A324-T326 VanDerWaalsContact C-N 3.35Å; A324-T326 PolarHBondContact O-N 3.39Å; T326-H328 HydrophobicContact CG2-CB 4.33Å; T326-H328 PolarHBondContact O-N 3.11Å |
| 327 | D | 55.6 | Low | 56.5 | Low | 155 Ų | 155 | 147 Ų | 147 | 83% | 0.829 | 78% | 0.781 | S | S | * | * | | | trans | -81.2 | 55.9 | -177.5 | -170.7 | 29.1 | 0 | 0 | 0 | 112.4 | K325 | K325-D327 PolarHBondContact O-N 3.17Š|
| 328 | H | 50.8 | Low | 55.3 | Low | 163 Ų | 163 | 147.4 Ų | 147.4 | 76% | 0.755 | 78% | 0.783 | S | S | * | * | | | trans | -130.6 | 97.7 | 177.2 | -66 | -19.8 | 0 | 0 | 0 | 109.1 | T326 A330 | T326-H328 HydrophobicContact CG2-CB 4.33Å; T326-H328 PolarHBondContact O-N 3.11Å; H328-A330 PolarHBondContact O-N 3.11Å |
| 329 | G | 56.3 | Low | 54.3 | Low | 91 Ų | 91 | 146 Ų | 146 | 94% | 0.938 | 79% | 0.788 | S | S | * | * | | | trans | -72.7 | 104.4 | 179.3 | 0 | 0 | 0 | 0 | 0 | 112.2 | | |
| 330 | A | 53.7 | Low | 53.1 | Low | 84 Ų | 84 | 140.1 Ų | 140.1 | 69% | 0.694 | 78% | 0.784 | S | S | * | * | | | trans | -144.7 | 121.7 | 167 | 0 | 0 | 0 | 0 | 0 | 109.7 | H328 I332 | H328-A330 PolarHBondContact O-N 3.11Å; A330-I332 PolarHBondContact O-N 2.95Å |
| 331 | E | 52.1 | Low | 52 | Low | 191 Ų | 191 | 135 Ų | 135 | 89% | 0.893 | 78% | 0.777 | S | S | * | * | | | trans | -75 | 108.8 | 171.7 | -70.6 | -168.3 | 130 | 0 | 0 | 110 | V333 | E331-V333 PolarHBondContact O-N 3.27Š|
| 332 | I | 58.7 | Low | 51 | Low | 148 Ų | 148 | 134.9 Ų | 134.9 | 76% | 0.759 | 78% | 0.776 | S | S | * | * | | | trans | -86 | 93.7 | 171.9 | -56.4 | -179.2 | 0 | 0 | 0 | 108.4 | A330 Y334 | A330-I332 PolarHBondContact O-N 2.95Å; I332-Y334 PolarHBondContact O-N 3.24Å; I332-Y334 VanDerWaalsContact O-N 3.13Å |
| 333 | V | 54.1 | Low | 50.2 | Low | 121 Ų | 121 | 137.7 Ų | 137.7 | 73% | 0.733 | 79% | 0.785 | S | S | * | * | | | trans | -63.7 | 110.1 | 175.7 | 177.5 | 0 | 0 | 0 | 0 | 110 | E331 K335 | E331-V333 PolarHBondContact O-N 3.27Å; V333-K335 PolarHBondContact O-N 3.03Å |
| 334 | Y | 47.1 | Very low | 49 | Very low | 210 Ų | 210 | 132.7 Ų | 132.7 | 82% | 0.824 | 78% | 0.775 | S | S | * | * | | | trans | -74.7 | 92.8 | 177.8 | -122.1 | -95.6 | 0 | 0 | 0 | 111.1 | I332 S336 | I332-Y334 PolarHBondContact O-N 3.24Å; I332-Y334 VanDerWaalsContact O-N 3.13Å; Y334-S336 PolarHBondContact O-N 3.32Å |
| 335 | K | 47.3 | Very low | 48.6 | Very low | 193 Ų | 193 | 134.8 Ų | 134.8 | 84% | 0.839 | 78% | 0.781 | S | S | * | * | | | trans | -84.2 | 97.6 | 158.9 | -85 | -169.3 | 171.3 | -174.5 | 0 | 109 | V333 | V333-K335 PolarHBondContact O-N 3.03Š|
| 336 | S | 41.9 | Very low | 47.9 | Very low | 80 Ų | 80 | 135.5 Ų | 135.5 | 56% | 0.559 | 78% | 0.778 | S | S | * | * | | | trans | -68.4 | 131 | 171.3 | 54 | 0 | 0 | 0 | 0 | 111.3 | Y334 V338 | Y334-S336 PolarHBondContact O-N 3.32Å; S336-V338 WeakPolarHBondContact O-CG2 3.49Å |
| 337 | P | 48.9 | Very low | 47.1 | Very low | 134 Ų | 134 | 138.4 Ų | 138.4 | 87% | 0.87 | 78% | 0.784 | S | S | * | * | | | trans | -58.6 | 140.5 | 155.6 | -20.7 | 33.8 | 0 | 0 | 0 | 109.8 | | |
| 338 | V | 39.9 | Very low | 46.9 | Very low | 118 Ų | 118 | 139.6 Ų | 139.6 | 72% | 0.715 | 79% | 0.789 | S | S | * | * | | | trans | -115.8 | 130.5 | -168.4 | 176.8 | 0 | 0 | 0 | 0 | 109.1 | S336 | S336-V338 WeakPolarHBondContact O-CG2 3.49Š|
| 339 | V | 39.9 | Very low | 46.7 | Very low | 128 Ų | 128 | 136 Ų | 136 | 78% | 0.776 | 78% | 0.783 | S | S | * | * | | | trans | 52.9 | 102.8 | 159.7 | 173.4 | 0 | 0 | 0 | 0 | 113.8 | | |
| 340 | S | 38.3 | Very low | 46.2 | Very low | 121 Ų | 121 | 138.7 Ų | 138.7 | 85% | 0.846 | 78% | 0.775 | S | S | * | * | | | | 163.7 | 178.1 | 59 | -107.8 | 0 | 0 | 0 | 0 | 106.1 | | |
| 341 | G | 38.7 | Very low | 46 | Very low | 63 Ų | 63 | 141.9 Ų | 141.9 | 65% | 0.649 | 79% | 0.786 | S | S | * | * | | | cis | 164.1 | 157.1 | -1.1 | 0 | 0 | 0 | 0 | 0 | 109.4 | | |
| 342 | D | 38.8 | Very low | 45.5 | Very low | 153 Ų | 153 | 137.4 Ų | 137.4 | 82% | 0.818 | 78% | 0.776 | S | S | * | * | | | trans | 61.7 | 105.3 | 177.9 | -151.5 | -12.7 | 0 | 0 | 0 | 118 | | |
| 343 | T | 43.1 | Very low | 45 | Very low | 140 Ų | 140 | 136.4 Ų | 136.4 | 86% | 0.859 | 78% | 0.782 | S | S | * | * | | | | -165.2 | 150.8 | 124.4 | 16.5 | 0 | 0 | 0 | 0 | 110 | | |
| 344 | S | 36.7 | Very low | 44.6 | Very low | 91 Ų | 91 | 136.7 Ų | 136.7 | 64% | 0.636 | 78% | 0.784 | S | S | * | * | | | trans | -77.2 | 138.2 | -169.1 | -170.6 | 0 | 0 | 0 | 0 | 113.6 | R346 | S344-R346 PolarHBondContact O-N 3.19Å; S344-R346 VanDerWaalsContact O-N 3.15Å |
| 345 | P | 54.5 | Low | 44.9 | Very low | 130 Ų | 130 | 130.8 Ų | 130.8 | 84% | 0.844 | 79% | 0.787 | S | S | * | * | | | trans | -70.7 | 109.5 | 179.7 | 28.9 | -34.8 | 0 | 0 | 0 | 111.4 | | |
| 346 | R | 48.9 | Very low | 44.9 | Very low | 225 Ų | 225 | 126.8 Ų | 126.8 | 85% | 0.849 | 78% | 0.784 | S | S | * | * | | | trans | -118 | 128.3 | 176.7 | -73.6 | -164.3 | 172.6 | -153.7 | -0.2 | 113.3 | S344 | S344-R346 PolarHBondContact O-N 3.19Å; S344-R346 VanDerWaalsContact O-N 3.15Å |
| 347 | H | 43.4 | Very low | 45.3 | Very low | 167 Ų | 167 | 129.9 Ų | 129.9 | 77% | 0.773 | 79% | 0.792 | S | S | * | * | | | trans | 63.7 | 97.3 | 151.7 | -146.1 | -99.3 | 0 | 0 | 0 | 117.7 | S349 | H347-S349 PolarHBondContact O-N 3.49Š|
| 348 | L | 50.8 | Low | 45.1 | Very low | 181 Ų | 181 | 129.8 Ų | 129.8 | 95% | 0.948 | 79% | 0.785 | S | S | * | * | | | trans | -68.5 | 91.7 | 164.6 | -67 | 172 | 0 | 0 | 0 | 110.1 | | |
| 349 | S | 48 | Very low | 45.5 | Very low | 88 Ų | 88 | 132 Ų | 132 | 62% | 0.615 | 79% | 0.789 | S | S | * | * | | | trans | -93.1 | 110.2 | 174.4 | 54.2 | 0 | 0 | 0 | 0 | 112.2 | H347 | H347-S349 PolarHBondContact O-N 3.49Š|
| 350 | N | 46.3 | Very low | 46.4 | Very low | 146 Ų | 146 | 131.6 Ų | 131.6 | 78% | 0.781 | 79% | 0.787 | S | S | * | * | | | trans | 42.9 | 112.9 | 152.2 | -60.9 | -7.8 | 0 | 0 | 0 | 119.4 | S352 | N350-S352 PolarHBondContact O-N 3.03Š|
| 351 | V | 49.3 | Very low | 47.3 | Very low | 152 Ų | 152 | 133 Ų | 133 | 92% | 0.921 | 78% | 0.784 | S | S | * | * | | | trans | -65.3 | 90.8 | 159.9 | -79.1 | 0 | 0 | 0 | 0 | 111.5 | | |
| 352 | S | 41.6 | Very low | 48 | Very low | 97 Ų | 97 | 133.4 Ų | 133.4 | 68% | 0.678 | 78% | 0.777 | S | S | * | * | | | trans | -103.9 | 97.9 | 167.1 | -75.2 | 0 | 0 | 0 | 0 | 110.4 | N350 T354 | N350-S352 PolarHBondContact O-N 3.03Å; S352-T354 PolarHBondContact O-N 3.39Å; S352-T354 VanDerWaalsContact O-N 3.15Å |
| 353 | S | 47.7 | Very low | 49 | Very low | 126 Ų | 126 | 129.5 Ų | 129.5 | 88% | 0.881 | 76% | 0.76 | S | S | * | * | | | trans | -75.8 | 95.8 | 169.5 | -71.5 | 0 | 0 | 0 | 0 | 110.8 | | |
| 354 | T | 45.7 | Very low | 49.9 | Very low | 127 Ų | 127 | 130 Ų | 130 | 78% | 0.779 | 75% | 0.753 | S | S | * | * | | | trans | -121.3 | 80.6 | 162.5 | 50.2 | 0 | 0 | 0 | 0 | 109.3 | S352 S356 | S352-T354 PolarHBondContact O-N 3.39Å; S352-T354 VanDerWaalsContact O-N 3.15Å; T354-S356 PolarHBondContact O-N 3Å; T354-S356 VanDerWaalsContact O-N 3.15Å |
| 355 | G | 53.8 | Low | 50.8 | Low | 86 Ų | 86 | 132.8 Ų | 132.8 | 89% | 0.887 | 76% | 0.76 | S | S | * | * | | | trans | -73.6 | 96.9 | 164.5 | 0 | 0 | 0 | 0 | 0 | 109 | | |
| 356 | S | 46 | Very low | 51.1 | Low | 110 Ų | 110 | 129.7 Ų | 129.7 | 77% | 0.769 | 75% | 0.745 | S | S | * | * | | | trans | -144 | 149.9 | 165.8 | -135.6 | 0 | 0 | 0 | 0 | 110.8 | T354 | T354-S356 PolarHBondContact O-N 3Å; T354-S356 VanDerWaalsContact O-N 3.15Å |
| 357 | I | 50.5 | Low | 51.7 | Low | 144 Ų | 144 | 122.4 Ų | 122.4 | 74% | 0.738 | 73% | 0.726 | S | S | * | * | | | trans | -43.9 | 156.8 | -172.1 | -166.2 | 161.4 | 0 | 0 | 0 | 116.6 | M359 | I357-M359 PolarHBondContact O-N 3.45Š|
| 358 | D | 44.1 | Very low | 52.7 | Low | 133 Ų | 133 | 118.2 Ų | 118.2 | 71% | 0.711 | 71% | 0.709 | S | S | * | * | | | trans | -47.5 | 115.2 | 177.4 | -52.4 | -100.1 | 0 | 0 | 0 | 113.3 | V360 | D358-V360 HydrophobicContact CB-CG2 4.29Å; D358-V360 PolarHBondContact O-N 3.3Å |
| 359 | M | 49.7 | Very low | 53.6 | Low | 163 Ų | 163 | 112.1 Ų | 112.1 | 80% | 0.803 | 69% | 0.685 | S | S | * | * | | | trans | -79.7 | 64.9 | 162.9 | -75.7 | -172.5 | 66 | 0 | 0 | 110.4 | I357 | I357-M359 PolarHBondContact O-N 3.45Š|
| 360 | V | 57.7 | Low | 54.7 | Low | 121 Ų | 121 | 113.7 Ų | 113.7 | 73% | 0.733 | 69% | 0.686 | S | S | * | * | | | trans | -93.4 | 137.1 | 157.5 | -66.9 | 0 | 0 | 0 | 0 | 108.3 | D358 | D358-V360 HydrophobicContact CB-CG2 4.29Å; D358-V360 PolarHBondContact O-N 3.3Å |
| 361 | D | 58.2 | Low | 55.9 | Low | 149 Ų | 149 | 113.1 Ų | 113.1 | 80% | 0.797 | 68% | 0.679 | S | S | * | * | | | trans | 57.5 | 66.7 | -171.5 | -157.7 | 26.6 | 0 | 0 | 0 | 115.8 | | |
| 362 | S | 52.9 | Low | 57.3 | Low | 72 Ų | 72 | 110.5 Ų | 110.5 | 50% | 0.503 | 66% | 0.663 | S | S | . | * | P | Polyproline II helix | trans | -101.5 | 116.5 | 139.5 | -67.3 | 0 | 0 | 0 | 0 | 107.5 | Q364 | S362-Q364 PolarHBondContact O-N 2.9Å; S362-Q364 VanDerWaalsContact O-N 3.14Å |
| 363 | P | 59.6 | Low | 59.1 | Low | 71 Ų | 71 | 109.3 Ų | 109.3 | 46% | 0.461 | 66% | 0.655 | S | S | . | * | P | Polyproline II helix | trans | -59.9 | 121.6 | 172.4 | 24.2 | -32.7 | 0 | 0 | 0 | 108.3 | L365 | P363-L365 PolarHBondContact O-N 3.47Š|
| 364 | Q | 61.6 | Low | 60.4 | Low | 151 Ų | 151 | 105.7 Ų | 105.7 | 71% | 0.706 | 63% | 0.632 | S | S | * | * | P | Polyproline II helix | trans | -61 | 132 | -179.8 | -62.9 | -178.1 | 0.7 | 0 | 0 | 108.2 | S362 A366 T367 | S362-Q364 PolarHBondContact O-N 2.9Å; S362-Q364 VanDerWaalsContact O-N 3.14Å; Q364-A366 PolarHBondContact O-N 3.08Å; Q364-T367 PolarHBondContact O-N 3.01Å; Q364-T367 PolarHBondContact O-OG1 3.35Å; Q364-T367 VanDerWaalsContact O-OG1 3.05Å |
| 365 | L | 56.5 | Low | 61.9 | Low | 150 Ų | 150 | 102.5 Ų | 102.5 | 79% | 0.785 | 62% | 0.615 | S | S | * | * | H | α-helix | trans | -57.7 | -14.4 | -172.5 | -62.2 | 177.4 | 0 | 0 | 0 | 114.3 | P363 L368 | P363-L365 PolarHBondContact O-N 3.47Å; L365-L368 HydrophobicContact CD2-CD1 4.25Å |
| 366 | A | 60.7 | Low | 63.1 | Low | 64 Ų | 64 | 102.4 Ų | 102.4 | 53% | 0.529 | 59% | 0.594 | S | S | . | * | H | α-helix | trans | -64.2 | -42.6 | 168.4 | 0 | 0 | 0 | 0 | 0 | 113.8 | Q364 L368 A369 D370 | Q364-A366 PolarHBondContact O-N 3.08Å; A366-L368 VanDerWaalsContact C-N 3.35Å; A366-L368 PolarHBondContact O-N 3.13Å; A366-A369 WeakPolarHBondContact O-CB 3.37Å; A366-A369 PolarHBondContact O-N 2.89Å; A366-A369 VanDerWaalsContact O-N 3.11Å; A366-D370 PolarHBondContact O-N 3.17Å |
| 367 | T | 61.9 | Low | 64.4 | Low | 72 Ų | 72 | 100.8 Ų | 100.8 | 44% | 0.442 | 59% | 0.587 | S | S | . | * | H | α-helix | trans | -68 | -36.5 | -175.9 | 61 | 0 | 0 | 0 | 0 | 111.8 | Q364 A369 D370 E371 | Q364-T367 PolarHBondContact O-N 3.01Å; Q364-T367 PolarHBondContact O-OG1 3.35Å; Q364-T367 VanDerWaalsContact O-OG1 3.05Å; T367-A369 VanDerWaalsContact C-N 3.27Å; T367-A369 PolarHBondContact O-N 3.23Å; T367-D370 PolarHBondContact O-N 3.19Å; T367-E371 PolarHBondContact O-N 2.88Å |
| 368 | L | 64.6 | Low | 65.5 | Low | 80 Ų | 80 | 102.6 Ų | 102.6 | 42% | 0.419 | 59% | 0.589 | S | S | . | * | H | α-helix | trans | -63.5 | -32 | 173.4 | -66.8 | 172.3 | 0 | 0 | 0 | 112.3 | L365 A366 V372 | L365-L368 HydrophobicContact CD2-CD1 4.25Å; A366-L368 VanDerWaalsContact C-N 3.35Å; A366-L368 PolarHBondContact O-N 3.13Å; L368-V372 WeakPolarHBondContact O-CB 3.33Å; L368-V372 VanDerWaalsContact O-CG2 3.28Å; L368-V372 WeakPolarHBondContact O-CG2 3.25Å; L368-V372 PolarHBondContact O-N 3.19Å; L368-V372 VanDerWaalsContact O-N 3.11Å |
| 369 | A | 69.6 | Low | 66.7 | Low | 53 Ų | 53 | 103 Ų | 103 | 44% | 0.438 | 59% | 0.587 | S | S | . | * | H | α-helix | trans | -71.6 | -40.1 | 176.5 | 0 | 0 | 0 | 0 | 0 | 112.1 | A366 T367 S373 | A366-A369 WeakPolarHBondContact O-CB 3.37Å; A366-A369 PolarHBondContact O-N 2.89Å; A366-A369 VanDerWaalsContact O-N 3.11Å; T367-A369 VanDerWaalsContact C-N 3.27Å; T367-A369 PolarHBondContact O-N 3.23Å; A369-S373 WeakPolarHBondContact O-CB 3.47Å; A369-S373 PolarHBondContact O-N 2.84Å; A369-S373 PolarHBondContact O-OG 2.94Å |
| 370 | D | 71.4 | Confident | 67.3 | Low | 120 Ų | 120 | 98.6 Ų | 98.6 | 64% | 0.642 | 58% | 0.584 | S | S | * | * | H | α-helix | trans | -68 | -40.3 | 174.3 | -82.2 | -18.8 | 0 | 0 | 0 | 111.9 | A366 T367 S373 A374 | A366-D370 PolarHBondContact O-N 3.17Å; T367-D370 PolarHBondContact O-N 3.19Å; D370-S373 PolarHBondContact O-N 3.39Å; D370-A374 VanDerWaalsContact O-CB 3.26Å; D370-A374 WeakPolarHBondContact O-CB 3.45Å; D370-A374 PolarHBondContact O-N 3.25Å |
| 371 | E | 70.7 | Confident | 67.1 | Low | 135 Ų | 135 | 101.6 Ų | 101.6 | 63% | 0.631 | 59% | 0.594 | S | S | * | * | H | α-helix | trans | -63.8 | -43 | 175.8 | -75.5 | -164.8 | 128.1 | 0 | 0 | 112.6 | T367 S373 A374 S375 | T367-E371 PolarHBondContact O-N 2.88Å; E371-S373 VanDerWaalsContact C-N 3.34Å; E371-A374 PolarHBondContact O-N 2.74Å; E371-S375 VanDerWaalsContact O-CB 3.25Å; E371-S375 WeakPolarHBondContact O-CB 3.21Å; E371-S375 PolarHBondContact O-N 2.98Å |
| 372 | V | 78.1 | Confident | 67.6 | Low | 96 Ų | 96 | 99.2 Ų | 99.2 | 58% | 0.582 | 58% | 0.584 | S | S | * | * | H | α-helix | trans | -62.1 | -43.5 | 174.5 | 168.7 | 0 | 0 | 0 | 0 | 110.9 | L368 S375 L376 | L368-V372 WeakPolarHBondContact O-CB 3.33Å; L368-V372 VanDerWaalsContact O-CG2 3.28Å; L368-V372 WeakPolarHBondContact O-CG2 3.25Å; L368-V372 PolarHBondContact O-N 3.19Å; L368-V372 VanDerWaalsContact O-N 3.11Å; V372-S375 PolarHBondContact O-N 2.79Å; V372-L376 PolarHBondContact O-N 3.05Å |
| 373 | S | 79.3 | Confident | 68.3 | Low | 73 Ų | 73 | 100.6 Ų | 100.6 | 51% | 0.51 | 59% | 0.589 | S | S | . | * | H | α-helix | trans | -65.1 | -44.1 | 179 | -57.5 | 0 | 0 | 0 | 0 | 112.2 | A369 D370 E371 S375 L376 A377 | A369-S373 WeakPolarHBondContact O-CB 3.47Å; A369-S373 PolarHBondContact O-N 2.84Å; A369-S373 PolarHBondContact O-OG 2.94Å; D370-S373 PolarHBondContact O-N 3.39Å; E371-S373 VanDerWaalsContact C-N 3.34Å; S373-S375 VanDerWaalsContact C-N 3.3Å; S373-S375 PolarHBondContact O-N 3.24Å; S373-L376 PolarHBondContact O-N 3.24Å; S373-A377 PolarHBondContact O-N 3.44Å |
| 374 | A | 75.9 | Confident | 68.8 | Low | 49 Ų | 49 | 102.3 Ų | 102.3 | 41% | 0.405 | 60% | 0.596 | S | S | . | * | H | α-helix | trans | -69.3 | -26.5 | 176.6 | 0 | 0 | 0 | 0 | 0 | 113 | D370 E371 K378 | D370-A374 VanDerWaalsContact O-CB 3.26Å; D370-A374 WeakPolarHBondContact O-CB 3.45Å; D370-A374 PolarHBondContact O-N 3.25Å; E371-A374 PolarHBondContact O-N 2.74Å; A374-K378 WeakPolarHBondContact O-CG 3.37Å; A374-K378 PolarHBondContact O-N 3.19Å |
| 375 | S | 77.9 | Confident | 69.2 | Low | 61 Ų | 61 | 99.4 Ų | 99.4 | 43% | 0.427 | 59% | 0.589 | S | S | . | * | H | α-helix | trans | -73.3 | -43.8 | 173.1 | -163.4 | 0 | 0 | 0 | 0 | 111.5 | E371 V372 S373 A377 K378 Q379 | E371-S375 VanDerWaalsContact O-CB 3.25Å; E371-S375 WeakPolarHBondContact O-CB 3.21Å; E371-S375 PolarHBondContact O-N 2.98Å; V372-S375 PolarHBondContact O-N 2.79Å; S373-S375 VanDerWaalsContact C-N 3.3Å; S373-S375 PolarHBondContact O-N 3.24Å; S375-A377 PolarHBondContact O-N 2.86Å; S375-K378 PolarHBondContact O-N 2.95Å; S375-Q379 PolarHBondContact O-N 3.46Å |
| 376 | L | 78.6 | Confident | 70 | Confident | 83 Ų | 83 | 96.3 Ų | 96.3 | 44% | 0.435 | 58% | 0.577 | S | S | . | * | H | α-helix | trans | -59 | -47.3 | 173.2 | -122.5 | 73.1 | 0 | 0 | 0 | 111.6 | V372 S373 K378 Q379 G380 | V372-L376 PolarHBondContact O-N 3.05Å; S373-L376 PolarHBondContact O-N 3.24Å; L376-K378 PolarHBondContact O-N 3.1Å; L376-Q379 WeakPolarHBondContact O-CA 3.24Å; L376-Q379 PolarHBondContact O-N 2.61Å; L376-G380 PolarHBondContact O-N 3.42Å |
| 377 | A | 73.8 | Confident | 70.7 | Confident | 76 Ų | 76 | 98.4 Ų | 98.4 | 63% | 0.628 | 58% | 0.58 | S | S | * | * | H | α-helix | trans | -59.5 | -29 | 178 | 0 | 0 | 0 | 0 | 0 | 113.3 | S373 S375 | S373-A377 PolarHBondContact O-N 3.44Å; S375-A377 PolarHBondContact O-N 2.86Å |
| 378 | K | 71.8 | Confident | 71.3 | Confident | 182 Ų | 182 | 100.3 Ų | 100.3 | 79% | 0.791 | 59% | 0.59 | S | S | * | * | H | α-helix | trans | -79.4 | -18.2 | 173.7 | -74.4 | 170.3 | -177.3 | 170.9 | 0 | 113.8 | A374 S375 L376 | A374-K378 WeakPolarHBondContact O-CG 3.37Å; A374-K378 PolarHBondContact O-N 3.19Å; S375-K378 PolarHBondContact O-N 2.95Å; L376-K378 PolarHBondContact O-N 3.1Å |
| 379 | Q | 70.7 | Confident | 71.8 | Confident | 142 Ų | 142 | 101.8 Ų | 101.8 | 66% | 0.664 | 60% | 0.603 | S | S | * | * | H | α-helix | trans | -89.8 | -8.7 | 173.5 | -66.8 | -176.1 | -2.4 | 0 | 0 | 112.9 | S375 L376 | S375-Q379 PolarHBondContact O-N 3.46Å; L376-Q379 WeakPolarHBondContact O-CA 3.24Å; L376-Q379 PolarHBondContact O-N 2.61Å |
| 380 | G | 61.8 | Low | 72 | Confident | 71 Ų | 71 | 105.9 Ų | 105.9 | 73% | 0.732 | 62% | 0.617 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 74.1 | 38.1 | 173.6 | 0 | 0 | 0 | 0 | 0 | 113.9 | L376 | L376-G380 PolarHBondContact O-N 3.42Š|
| 381 | L | 53.7 | Low | 72 | Confident | 183 Ų | 183 | 104.6 Ų | 104.6 | 96% | 0.958 | 62% | 0.615 | S | S | * | * | | | trans | -119.5 | 0 | -172.2 | -149.7 | 160.7 | 0 | 0 | 0 | 110.8 | | |