| 1 | M | 38.4 | Very low | 33.8 | Very low | 238 Ų | 238 | 143.5 Ų | 143.5 | 100% | 1.172 | 85% | 0.853 | S | S | * | * | | | | 0 | 123.3 | 0 | -67 | 167.2 | -174.6 | 0 | 0 | 108 | | |
| 2 | A | 29.4 | Very low | 33.6 | Very low | 88 Ų | 88 | 144.3 Ų | 144.3 | 73% | 0.727 | 85% | 0.85 | S | S | * | * | | | cis | 59.6 | 132.2 | 0.4 | 0 | 0 | 0 | 0 | 0 | 115.9 | | |
| 3 | N | 31.6 | Very low | 33.6 | Very low | 157 Ų | 157 | 141.3 Ų | 141.3 | 84% | 0.84 | 83% | 0.828 | S | S | * | * | | | cis | -148.4 | -166.8 | -6.2 | -144.7 | 3.7 | 0 | 0 | 0 | 110.1 | | |
| 4 | E | 37.2 | Very low | 33.4 | Very low | 178 Ų | 178 | 142.4 Ų | 142.4 | 83% | 0.832 | 81% | 0.812 | S | S | * | * | | | trans | 74.8 | 142.2 | -179.7 | -47.6 | -175.6 | -177.2 | 0 | 0 | 114.5 | | |
| 5 | I | 42.2 | Very low | 33.9 | Very low | 155 Ų | 155 | 145.7 Ų | 145.7 | 80% | 0.795 | 82% | 0.817 | S | S | * | * | | | cis | -125.9 | 135 | 5.7 | -62.8 | 168.7 | 0 | 0 | 0 | 109.8 | | |
| 6 | S | 33.1 | Very low | 33.9 | Very low | 127 Ų | 127 | 142.5 Ų | 142.5 | 89% | 0.888 | 80% | 0.802 | S | S | * | * | | | trans | -81.1 | 128.9 | 168.2 | -64.7 | 0 | 0 | 0 | 0 | 111.2 | | |
| 7 | G | 32.9 | Very low | 34 | Very low | 73 Ų | 73 | 139.6 Ų | 139.6 | 75% | 0.753 | 79% | 0.794 | S | S | * | * | | | trans | -164.1 | 92.7 | -175.6 | 0 | 0 | 0 | 0 | 0 | 117.3 | | |
| 8 | A | 34.2 | Very low | 33.7 | Very low | 109 Ų | 109 | 141.9 Ų | 141.9 | 90% | 0.901 | 79% | 0.793 | S | S | * | * | | | trans | 66 | 149.7 | 165.2 | 0 | 0 | 0 | 0 | 0 | 118.6 | | |
| 9 | Q | 31.5 | Very low | 33.8 | Very low | 195 Ų | 195 | 141.1 Ų | 141.1 | 91% | 0.911 | 79% | 0.787 | S | S | * | * | | | trans | -113.9 | 169.4 | -167.5 | -64.6 | 170.5 | -23.4 | 0 | 0 | 113.2 | | |
| 10 | S | 30 | Very low | 33.7 | Very low | 116 Ų | 116 | 139.3 Ų | 139.3 | 81% | 0.811 | 78% | 0.784 | S | S | * | * | | | trans | 78.5 | 94.5 | 166.3 | -160.6 | 0 | 0 | 0 | 0 | 117.1 | | |
| 11 | L | 31.4 | Very low | 33.7 | Very low | 143 Ų | 143 | 142 Ų | 142 | 75% | 0.749 | 79% | 0.788 | S | S | * | * | | | trans | -150.3 | 25.9 | 167 | -129.4 | 168.4 | 0 | 0 | 0 | 114.2 | | |
| 12 | D | 31.4 | Very low | 33.4 | Very low | 153 Ų | 153 | 139.4 Ų | 139.4 | 82% | 0.818 | 77% | 0.773 | S | S | * | * | | | trans | -99.6 | 88.1 | -173 | -59.7 | -41.1 | 0 | 0 | 0 | 113.4 | | |
| 13 | D | 34 | Very low | 33.8 | Very low | 105 Ų | 105 | 141.2 Ų | 141.2 | 56% | 0.561 | 78% | 0.78 | S | S | * | * | | | trans | -154.8 | 45.2 | 158.3 | -145.8 | 25.9 | 0 | 0 | 0 | 110.7 | R512 | D13-R512 IonicContact OD1-NH1 2.93Å; D13-R512 IonicContact OD2-CZ 3.79Å; D13-R512 IonicContact OD2-NH1 3.65Å; D13-R512 PolarHBondContact OD2-NH1 2.6Å |
| 14 | Y | 30.9 | Very low | 33.8 | Very low | 156 Ų | 156 | 136.9 Ų | 136.9 | 61% | 0.612 | 77% | 0.773 | S | S | * | * | | | trans | -130.1 | 66 | -179.4 | -90 | -76.3 | 0 | 0 | 0 | 112.1 | V16 D542 | Y14-V16 PolarHBondContact O-N 3.23Å; Y14-D542 PolarHBondContact OH-OD2 3.19Å |
| 15 | H | 40 | Very low | 33.6 | Very low | 192 Ų | 192 | 137.3 Ų | 137.3 | 89% | 0.889 | 77% | 0.774 | S | S | * | * | | | trans | -81.1 | 108.3 | 162.7 | -125.5 | -87.3 | 0 | 0 | 0 | 109.5 | | |
| 16 | V | 34.1 | Very low | 33.3 | Very low | 95 Ų | 95 | 136.4 Ų | 136.4 | 58% | 0.576 | 78% | 0.777 | S | S | * | * | | | trans | -84.2 | 113.7 | 170 | 179.3 | 0 | 0 | 0 | 0 | 107.7 | Y14 F18 | Y14-V16 PolarHBondContact O-N 3.23Å; V16-F18 HydrophobicContact CB-CD2 4.47Å; V16-F18 HydrophobicContact CG1-CD2 3.79Å; V16-F18 HydrophobicContact CG1-CE2 3.97Å; V16-F18 PolarHBondContact O-N 3.33Å |
| 17 | S | 35.7 | Very low | 33.3 | Very low | 94 Ų | 94 | 136.2 Ų | 136.2 | 66% | 0.657 | 77% | 0.772 | S | S | * | * | | | trans | -66.4 | 96.7 | 171.3 | -98.2 | 0 | 0 | 0 | 0 | 110.6 | D19 | S17-D19 WeakPolarHBondContact CB-OD2 3.12Å; S17-D19 PolarHBondContact O-N 2.96Å; S17-D19 PolarHBondContact OG-OD2 2.87Å |
| 18 | F | 28.4 | Very low | 33.7 | Very low | 180 Ų | 180 | 142.6 Ų | 142.6 | 79% | 0.789 | 78% | 0.779 | S | S | * | * | | | trans | -88.4 | 58.4 | 165.5 | -100.5 | -80 | 0 | 0 | 0 | 110.2 | V16 S20 | V16-F18 HydrophobicContact CB-CD2 4.47Å; V16-F18 HydrophobicContact CG1-CD2 3.79Å; V16-F18 HydrophobicContact CG1-CE2 3.97Å; V16-F18 PolarHBondContact O-N 3.33Å; F18-S20 VanDerWaalsContact C-N 3.34Å; F18-S20 PolarHBondContact O-N 3.48Å; F18-S20 VanDerWaalsContact O-N 3.12Å |
| 19 | D | 36.5 | Very low | 33.8 | Very low | 127 Ų | 127 | 144.1 Ų | 144.1 | 68% | 0.679 | 78% | 0.777 | S | S | * | * | | | trans | -88.9 | 73.2 | 179.5 | -64.4 | -57.7 | 0 | 0 | 0 | 110.2 | S17 | S17-D19 WeakPolarHBondContact CB-OD2 3.12Å; S17-D19 PolarHBondContact O-N 2.96Å; S17-D19 PolarHBondContact OG-OD2 2.87Å |
| 20 | S | 31 | Very low | 34.1 | Very low | 104 Ų | 104 | 139.1 Ų | 139.1 | 73% | 0.727 | 77% | 0.77 | S | S | * | * | | | trans | -105.9 | 83.8 | 172.5 | -69.4 | 0 | 0 | 0 | 0 | 110.5 | F18 | F18-S20 VanDerWaalsContact C-N 3.34Å; F18-S20 PolarHBondContact O-N 3.48Å; F18-S20 VanDerWaalsContact O-N 3.12Å |
| 21 | F | 33.9 | Very low | 34.5 | Very low | 198 Ų | 198 | 138.5 Ų | 138.5 | 87% | 0.868 | 77% | 0.765 | S | S | * | * | | | trans | -124.1 | 132.1 | 167.4 | -88.8 | -82.4 | 0 | 0 | 0 | 111.7 | | |
| 22 | H | 31.9 | Very low | 34.6 | Very low | 183 Ų | 183 | 139.3 Ų | 139.3 | 85% | 0.847 | 77% | 0.771 | S | S | * | * | | | trans | -120 | 162.5 | 171.6 | -111.1 | 21.5 | 0 | 0 | 0 | 107.7 | | |
| 23 | S | 38.2 | Very low | 34.7 | Very low | 126 Ų | 126 | 136.4 Ų | 136.4 | 88% | 0.881 | 77% | 0.767 | S | S | * | * | | | trans | 78.5 | 144.5 | -166.2 | 82.2 | 0 | 0 | 0 | 0 | 113.9 | | |
| 24 | G | 31.9 | Very low | 34.8 | Very low | 66 Ų | 66 | 137.1 Ų | 137.1 | 68% | 0.68 | 78% | 0.776 | S | S | * | * | | | cis | 149.2 | 96.4 | -4.7 | 0 | 0 | 0 | 0 | 0 | 112.6 | | |
| 25 | E | 32.4 | Very low | 35 | Very low | 186 Ų | 186 | 138.4 Ų | 138.4 | 87% | 0.869 | 79% | 0.785 | S | S | * | * | | | trans | 44.4 | 120.3 | 162.2 | -59 | -172.1 | 146.9 | 0 | 0 | 119.6 | | |
| 26 | T | 36.6 | Very low | 34.3 | Very low | 137 Ų | 137 | 137.4 Ų | 137.4 | 84% | 0.84 | 78% | 0.778 | S | S | * | * | | | | -173.3 | 112.9 | 126.2 | 17.4 | 0 | 0 | 0 | 0 | 111.6 | | |
| 27 | P | 31.7 | Very low | 34.2 | Very low | 123 Ų | 123 | 142.8 Ų | 142.8 | 80% | 0.799 | 79% | 0.794 | S | S | * | * | | | trans | -95.7 | 141.5 | 161.9 | 34.5 | -29 | 0 | 0 | 0 | 110.9 | | |
| 28 | K | 43 | Very low | 33.9 | Very low | 206 Ų | 206 | 145.1 Ų | 145.1 | 90% | 0.896 | 80% | 0.798 | S | S | * | * | | | trans | -135 | 145.8 | 162.5 | -76.7 | -170.1 | 176.1 | 179.1 | 0 | 110.3 | | |
| 29 | T | 36 | Very low | 34.1 | Very low | 141 Ų | 141 | 144 Ų | 144 | 87% | 0.865 | 80% | 0.799 | S | S | * | * | | | trans | -96.9 | 151.2 | -160.8 | 49.5 | 0 | 0 | 0 | 0 | 114.3 | | |
| 30 | A | 37.6 | Very low | 33.8 | Very low | 91 Ų | 91 | 145 Ų | 145 | 75% | 0.752 | 81% | 0.805 | S | S | * | * | | | trans | -167.7 | 141.6 | 131.9 | 0 | 0 | 0 | 0 | 0 | 114 | | |
| 31 | S | 37.1 | Very low | 34.1 | Very low | 102 Ų | 102 | 144 Ų | 144 | 71% | 0.713 | 80% | 0.802 | S | S | * | * | | | trans | 51.2 | 90 | 148.9 | 63.7 | 0 | 0 | 0 | 0 | 122 | | |
| 32 | D | 33.7 | Very low | 34 | Very low | 161 Ų | 161 | 141.6 Ų | 141.6 | 86% | 0.861 | 80% | 0.799 | S | S | * | * | | | | 60.2 | 145.4 | 105 | -64.6 | -50.1 | 0 | 0 | 0 | 125.3 | | |
| 33 | A | 34 | Very low | 33.8 | Very low | 91 Ų | 91 | 141.3 Ų | 141.3 | 75% | 0.752 | 80% | 0.798 | S | S | * | * | | | trans | 75.2 | 138.8 | 158.5 | 0 | 0 | 0 | 0 | 0 | 117.9 | | |
| 34 | T | 35.9 | Very low | 33.5 | Very low | 121 Ų | 121 | 140.5 Ų | 140.5 | 74% | 0.742 | 79% | 0.787 | S | S | * | * | | | cis | -150.8 | 144.8 | 13.7 | -30.5 | 0 | 0 | 0 | 0 | 114 | | |
| 35 | K | 34.5 | Very low | 33.5 | Very low | 182 Ų | 182 | 144 Ų | 144 | 79% | 0.791 | 79% | 0.789 | S | S | * | * | | | trans | 55.5 | 97.8 | 153 | -83.6 | 168.3 | -178 | 178.1 | 0 | 121.1 | | |
| 36 | F | 26.5 | Very low | 33.4 | Very low | 172 Ų | 172 | 141.3 Ų | 141.3 | 75% | 0.754 | 78% | 0.781 | S | S | * | * | | | | -3.9 | 141.4 | 123.3 | -58.7 | -94.4 | 0 | 0 | 0 | 118.7 | | |
| 37 | F | 32.6 | Very low | 33 | Very low | 207 Ų | 207 | 140.6 Ų | 140.6 | 91% | 0.908 | 78% | 0.777 | S | S | * | * | | | | -139 | 136.1 | 112.6 | -101.9 | -77.2 | 0 | 0 | 0 | 110.4 | | |
| 38 | L | 27.8 | Very low | 32.9 | Very low | 143 Ų | 143 | 140.7 Ų | 140.7 | 75% | 0.749 | 78% | 0.777 | S | S | * | * | | | trans | -106.5 | 130.8 | 169.8 | -81 | 161.5 | 0 | 0 | 0 | 108.3 | | |
| 39 | I | 34.2 | Very low | 32.2 | Very low | 157 Ų | 157 | 137.3 Ų | 137.3 | 81% | 0.805 | 77% | 0.774 | S | S | * | * | | | trans | -136.5 | 119.8 | 146.9 | -60.3 | -175.9 | 0 | 0 | 0 | 106.4 | | |
| 40 | D | 28.9 | Very low | 31.9 | Very low | 149 Ų | 149 | 134.9 Ų | 134.9 | 80% | 0.797 | 77% | 0.768 | S | S | * | * | | | trans | -96.7 | 132.3 | 168.2 | -169.8 | 3.8 | 0 | 0 | 0 | 107.7 | | |
| 41 | A | 38.2 | Very low | 31.4 | Very low | 82 Ų | 82 | 137.7 Ų | 137.7 | 68% | 0.678 | 77% | 0.769 | S | S | * | * | | | trans | -148.2 | 113.2 | -174.4 | 0 | 0 | 0 | 0 | 0 | 110.1 | | |
| 42 | N | 30.4 | Very low | 31 | Very low | 148 Ų | 148 | 136.4 Ų | 136.4 | 79% | 0.791 | 76% | 0.76 | S | S | * | * | | | trans | -67.6 | 171.5 | -176.7 | -81.3 | -63 | 0 | 0 | 0 | 114.2 | | |
| 43 | E | 29.6 | Very low | 30.9 | Very low | 177 Ų | 177 | 137.4 Ų | 137.4 | 83% | 0.827 | 76% | 0.756 | S | S | * | * | | | trans | 94.4 | 137.9 | 142 | -95.5 | 178.4 | -159.2 | 0 | 0 | 121.8 | | |
| 44 | V | 30.5 | Very low | 30.6 | Very low | 109 Ų | 109 | 138.8 Ų | 138.8 | 66% | 0.661 | 76% | 0.756 | S | S | * | * | | | trans | 87 | 100 | 141.7 | 170.2 | 0 | 0 | 0 | 0 | 120.6 | | |
| 45 | L | 31.3 | Very low | 30.5 | Very low | 138 Ų | 138 | 138.4 Ų | 138.4 | 72% | 0.723 | 76% | 0.758 | S | S | * | * | | | trans | 76.9 | 107.4 | 134.1 | -88.6 | 56.2 | 0 | 0 | 0 | 123.3 | | |
| 46 | N | 30.9 | Very low | 30.4 | Very low | 130 Ų | 130 | 134.4 Ų | 134.4 | 70% | 0.695 | 75% | 0.753 | S | S | * | * | | | | 61.9 | 109.7 | 109.7 | -64.9 | 0.5 | 0 | 0 | 0 | 122.7 | | |
| 47 | T | 28.2 | Very low | 30.8 | Very low | 122 Ų | 122 | 132.3 Ų | 132.3 | 75% | 0.748 | 76% | 0.76 | S | S | * | * | | | | 72.1 | 130.4 | 129.1 | 58.2 | 0 | 0 | 0 | 0 | 121.2 | | |
| 48 | P | 29 | Very low | 30.7 | Very low | 125 Ų | 125 | 126.3 Ų | 126.3 | 81% | 0.812 | 76% | 0.756 | S | S | * | * | | | trans | -86.8 | 162.6 | 170.8 | 37.3 | -35.4 | 0 | 0 | 0 | 112.6 | | |
| 49 | T | 30.2 | Very low | 30.8 | Very low | 136 Ų | 136 | 123.1 Ų | 123.1 | 83% | 0.834 | 76% | 0.758 | S | S | * | * | | | trans | -142.4 | 145 | 165.1 | -53.4 | 0 | 0 | 0 | 0 | 110.3 | | |
| 50 | A | 28.7 | Very low | 30.6 | Very low | 89 Ų | 89 | 122.6 Ų | 122.6 | 74% | 0.736 | 76% | 0.756 | S | S | * | * | | | trans | -105.7 | -152.4 | -175.9 | 0 | 0 | 0 | 0 | 0 | 112.1 | | |
| 51 | I | 27.7 | Very low | 30.7 | Very low | 151 Ų | 151 | 123.9 Ų | 123.9 | 77% | 0.774 | 76% | 0.755 | S | S | * | * | | | trans | 102.7 | 135.9 | 166.8 | -58.5 | 164.2 | 0 | 0 | 0 | 114.6 | | |
| 52 | S | 28.7 | Very low | 30.2 | Very low | 74 Ų | 74 | 129.4 Ų | 129.4 | 52% | 0.517 | 76% | 0.764 | S | S | . | * | | | cis | -179.4 | 174.6 | -24.7 | 64.2 | 0 | 0 | 0 | 0 | 111.8 | | |
| 53 | K | 31.3 | Very low | 30.4 | Very low | 182 Ų | 182 | 124.7 Ų | 124.7 | 79% | 0.791 | 75% | 0.746 | S | S | * | * | | | trans | 77.3 | 153.3 | 152.2 | -66.6 | 161.5 | -166.1 | 170.7 | 0 | 118.5 | | |
| 54 | T | 28.4 | Very low | 30.4 | Very low | 121 Ų | 121 | 119.5 Ų | 119.5 | 74% | 0.742 | 72% | 0.724 | S | S | * | * | | | cis | -166.3 | 171.3 | -10.9 | 21.8 | 0 | 0 | 0 | 0 | 113 | | |
| 55 | S | 32.5 | Very low | 30.5 | Very low | 112 Ų | 112 | 117.1 Ų | 117.1 | 78% | 0.783 | 71% | 0.707 | S | S | * | * | | | trans | 79.9 | 146.4 | 153.5 | 71.9 | 0 | 0 | 0 | 0 | 118.8 | | |
| 56 | S | 33.3 | Very low | 30.5 | Very low | 99 Ų | 99 | 117.4 Ų | 117.4 | 69% | 0.692 | 70% | 0.703 | S | S | * | * | | | cis | -169.2 | 157.9 | -11.3 | 41.5 | 0 | 0 | 0 | 0 | 113.4 | | |
| 57 | S | 34.1 | Very low | 30.7 | Very low | 128 Ų | 128 | 117.8 Ų | 117.8 | 90% | 0.895 | 70% | 0.7 | S | S | * | * | | | trans | 68.8 | 150.9 | 164.8 | 71.4 | 0 | 0 | 0 | 0 | 118.9 | | |
| 58 | G | 30.6 | Very low | 31.1 | Very low | 80 Ų | 80 | 119.2 Ų | 119.2 | 83% | 0.825 | 70% | 0.696 | S | S | * | * | | | cis | 168.7 | 127.6 | -15.7 | 0 | 0 | 0 | 0 | 0 | 116.5 | | |
| 59 | G | 30.4 | Very low | 31.2 | Very low | 76 Ų | 76 | 124.8 Ų | 124.8 | 78% | 0.784 | 70% | 0.701 | S | S | * | * | | | trans | 86.2 | 163.6 | 164.3 | 0 | 0 | 0 | 0 | 0 | 119.1 | | |
| 60 | L | 29.4 | Very low | 31.2 | Very low | 147 Ų | 147 | 126.3 Ų | 126.3 | 77% | 0.77 | 70% | 0.703 | S | S | * | * | | | cis | -166.7 | 147.5 | -12 | -102.1 | 178.4 | 0 | 0 | 0 | 113.2 | | |
| 61 | F | 30.4 | Very low | 31.5 | Very low | 175 Ų | 175 | 127.3 Ų | 127.3 | 77% | 0.768 | 70% | 0.702 | S | S | * | * | | | trans | 77.8 | 172.2 | 155.9 | -64.8 | -53.3 | 0 | 0 | 0 | 125.4 | | |
| 62 | F | 29.6 | Very low | 31.8 | Very low | 198 Ų | 198 | 127 Ų | 127 | 87% | 0.868 | 71% | 0.707 | S | S | * | * | | | trans | -132 | -172.1 | -153.8 | -70.3 | -73 | 0 | 0 | 0 | 113.3 | | |
| 63 | A | 32.6 | Very low | 31.8 | Very low | 50 Ų | 50 | 130.8 Ų | 130.8 | 41% | 0.413 | 72% | 0.72 | S | S | . | * | | | cis | -142.9 | -130.1 | 24.5 | 0 | 0 | 0 | 0 | 0 | 112.8 | V429 S430 | A63-V429 HydrophobicContact CB-CG1 4.32Å; A63-V429 WeakPolarHBondContact O-CG1 3.14Å; A63-S430 WeakPolarHBondContact O-CB 2.98Å; A63-S430 PolarHBondContact O-N 3.13Å |
| 64 | D | 30.6 | Very low | 31.9 | Very low | 68 Ų | 68 | 129.1 Ų | 129.1 | 36% | 0.364 | 72% | 0.72 | S | S | . | * | | | cis | 147 | 55.1 | 2.3 | 67.9 | -78.1 | 0 | 0 | 0 | 118.2 | R431 | D64-R431 HydrophobicContact CB-CB 4.21Å; D64-R431 HydrophobicContact CB-CG 3.1Å; D64-R431 VanDerWaalsContact CG-CG 3.5Å; D64-R431 IonicContact OD2-CZ 3.58Å; D64-R431 IonicContact OD2-NE 3.37Å; D64-R431 PolarHBondContact OD2-NE 3.16Å; D64-R431 IonicContact OD2-NH2 2.6Å; D64-R431 PolarHBondContact OD2-NH2 3.49Å |
| 65 | D | 32.7 | Very low | 32.1 | Very low | 59 Ų | 59 | 128.5 Ų | 128.5 | 32% | 0.316 | 72% | 0.72 | S | S | . | * | | | trans | 80.2 | 163.1 | 162 | -77.6 | -23.3 | 0 | 0 | 0 | 123.6 | V429 S430 R431 | D65-V429 CarbonylContact C-O 3.56Å; D65-V429 WeakPolarHBondContact CA-O 3.41Å; D65-V429 VanDerWaalsContact N-C 3.33Å; D65-V429 PolarHBondContact N-O 2.89Å; D65-S430 VanDerWaalsContact CA-O 3.31Å; D65-S430 WeakPolarHBondContact CA-O 3.27Å; D65-S430 PolarHBondContact N-O 3.14Å; D65-R431 VanDerWaalsContact CG-CG 3.49Å; D65-R431 WeakPolarHBondContact OD1-CB 3.19Å; D65-R431 WeakPolarHBondContact OD1-CG 3.3Å; D65-R431 PolarHBondContact OD1-N 3.43Å; D65-R431 VanDerWaalsContact OD2-CD 3.25Å; D65-R431 WeakPolarHBondContact OD2-CD 3.25Å; D65-R431 IonicContact OD2-CZ 3.84Å; D65-R431 IonicContact OD2-NE 2.69Å; D65-R431 IonicContact OD2-NH1 2.76Å; D65-R431 PolarHBondContact OD2-NH1 3.42Å |
| 66 | F | 31.2 | Very low | 32.1 | Very low | 144 Ų | 144 | 130 Ų | 130 | 63% | 0.632 | 72% | 0.719 | S | S | * | * | | | cis | 168.4 | 135.2 | -34.8 | -144.8 | -80.5 | 0 | 0 | 0 | 111.1 | S430 | F66-S430 WeakPolarHBondContact CD2-O 3.3Š|
| 67 | H | 35.7 | Very low | 32.5 | Very low | 137 Ų | 137 | 131.3 Ų | 131.3 | 63% | 0.634 | 73% | 0.725 | S | S | * | * | | | trans | 141.2 | 130.4 | 143.6 | -86.1 | -32.7 | 0 | 0 | 0 | 122.8 | | |
| 68 | K | 35 | Very low | 32.5 | Very low | 153 Ų | 153 | 130.7 Ų | 130.7 | 67% | 0.665 | 71% | 0.712 | S | S | * | * | | | | 69.9 | 129.1 | 128 | -70.2 | 166.1 | 179 | 151.5 | 0 | 125.5 | | |
| 69 | R | 31.7 | Very low | 32.8 | Very low | 242 Ų | 242 | 133.2 Ų | 133.2 | 91% | 0.913 | 71% | 0.707 | S | S | * | * | | | trans | 105.5 | 147.8 | 132.4 | -84.6 | 175.7 | 174.9 | -168.7 | -3.9 | 121.1 | | |
| 70 | L | 29.8 | Very low | 33.1 | Very low | 167 Ų | 167 | 136.8 Ų | 136.8 | 87% | 0.874 | 70% | 0.702 | S | S | * | * | | | trans | -107.8 | -166.6 | -168.6 | -61.9 | 151.7 | 0 | 0 | 0 | 110.1 | | |
| 71 | P | 36.6 | Very low | 33.4 | Very low | 110 Ų | 110 | 138.2 Ų | 138.2 | 71% | 0.714 | 71% | 0.705 | S | S | * | * | | | | -131.2 | 169.1 | -68.6 | 39.6 | -24.3 | 0 | 0 | 0 | 113.2 | | |
| 72 | V | 33.2 | Very low | 33.4 | Very low | 146 Ų | 146 | 134.7 Ų | 134.7 | 89% | 0.885 | 70% | 0.702 | S | S | * | * | | | trans | -142.8 | 155.8 | 168.1 | -173.8 | 0 | 0 | 0 | 0 | 112.1 | | |
| 73 | L | 28.7 | Very low | 33.5 | Very low | 152 Ų | 152 | 130.2 Ų | 130.2 | 80% | 0.796 | 70% | 0.695 | S | S | * | * | | | trans | -86.6 | -176.7 | -168.1 | -67.9 | 144.9 | 0 | 0 | 0 | 116.3 | | |
| 74 | N | 33.2 | Very low | 33.2 | Very low | 148 Ų | 148 | 134.6 Ų | 134.6 | 79% | 0.791 | 72% | 0.716 | S | S | * | * | | | trans | 97.8 | 140.9 | 159.9 | -54.2 | -19.5 | 0 | 0 | 0 | 116.6 | | |
| 75 | S | 33.5 | Very low | 33.2 | Very low | 107 Ų | 107 | 135.7 Ų | 135.7 | 75% | 0.748 | 74% | 0.735 | S | S | * | * | | | cis | -163.3 | 167.9 | -11.2 | -97.1 | 0 | 0 | 0 | 0 | 112.7 | | |
| 76 | L | 32.6 | Very low | 32.9 | Very low | 145 Ų | 145 | 138.6 Ų | 138.6 | 76% | 0.759 | 76% | 0.755 | S | S | * | * | | | trans | -62.5 | 161.5 | 172.5 | -91.5 | 83.5 | 0 | 0 | 0 | 113.7 | | |
| 77 | P | 41.6 | Very low | 32.9 | Very low | 125 Ų | 125 | 140 Ų | 140 | 81% | 0.812 | 76% | 0.763 | S | S | * | * | | | | -138.4 | -171.5 | 58.5 | 27 | -2.9 | 0 | 0 | 0 | 115.3 | | |
| 78 | N | 32.9 | Very low | 32.4 | Very low | 115 Ų | 115 | 139.1 Ų | 139.1 | 62% | 0.615 | 77% | 0.771 | S | S | * | * | | | cis | 172.8 | 176.2 | -41.3 | -139.7 | 40 | 0 | 0 | 0 | 106.7 | | |
| 79 | D | 37.2 | Very low | 32.2 | Very low | 134 Ų | 134 | 140.9 Ų | 140.9 | 72% | 0.717 | 78% | 0.781 | S | S | * | * | | | trans | 73.2 | 150.9 | 165.5 | -52 | -16.2 | 0 | 0 | 0 | 119.2 | | |
| 80 | H | 36.5 | Very low | 32.2 | Very low | 150 Ų | 150 | 137.8 Ų | 137.8 | 69% | 0.694 | 78% | 0.777 | S | S | * | * | | | cis | -170.6 | 147.3 | -44.3 | -124.5 | -76.2 | 0 | 0 | 0 | 109.6 | | |
| 81 | H | 36.7 | Very low | 32.7 | Very low | 178 Ų | 178 | 134.4 Ų | 134.4 | 82% | 0.824 | 77% | 0.765 | S | S | * | * | | | trans | 111.6 | 159.1 | 163.5 | -69.9 | -73.4 | 0 | 0 | 0 | 120.4 | | |
| 82 | S | 29.8 | Very low | 32.4 | Very low | 100 Ų | 100 | 135.6 Ų | 135.6 | 70% | 0.699 | 77% | 0.765 | S | S | * | * | | | trans | -148.3 | -172.8 | -153 | 61.7 | 0 | 0 | 0 | 0 | 112.3 | | |
| 83 | S | 32.2 | Very low | 32.3 | Very low | 104 Ų | 104 | 134 Ų | 134 | 73% | 0.727 | 76% | 0.757 | S | S | * | * | | | trans | 86.5 | 121.3 | 178.4 | -31.6 | 0 | 0 | 0 | 0 | 113 | | |
| 84 | V | 26.1 | Very low | 32.6 | Very low | 142 Ų | 142 | 132.5 Ų | 132.5 | 86% | 0.861 | 75% | 0.754 | S | S | * | * | | | cis | 90.8 | 140 | 34.6 | 178.1 | 0 | 0 | 0 | 0 | 112.8 | | |
| 85 | A | 30.2 | Very low | 32.5 | Very low | 91 Ų | 91 | 131.4 Ų | 131.4 | 75% | 0.752 | 75% | 0.748 | S | S | * | * | | | trans | 79.7 | 151.2 | -173.5 | 0 | 0 | 0 | 0 | 0 | 115.1 | | |
| 86 | V | 27.1 | Very low | 32.5 | Very low | 121 Ų | 121 | 132 Ų | 132 | 73% | 0.733 | 74% | 0.742 | S | S | * | * | | | cis | -179.6 | 169.8 | -38.3 | 130 | 0 | 0 | 0 | 0 | 105.9 | | |
| 87 | E | 29.9 | Very low | 32.4 | Very low | 173 Ų | 173 | 130.5 Ų | 130.5 | 81% | 0.808 | 74% | 0.74 | S | S | * | * | | | trans | 70.9 | 120.9 | -179.8 | -75.2 | 149 | -157.2 | 0 | 0 | 113.9 | | |
| 88 | C | 26.5 | Very low | 32 | Very low | 118 Ų | 118 | 133.4 Ų | 133.4 | 80% | 0.797 | 74% | 0.742 | S | S | * | * | | | | 86.3 | 103.6 | 53.5 | -72.2 | 0 | 0 | 0 | 0 | 112.8 | | |
| 89 | E | 30.7 | Very low | 31.9 | Very low | 190 Ų | 190 | 137.2 Ų | 137.2 | 89% | 0.888 | 75% | 0.753 | S | S | * | * | | | | -169.5 | 171.2 | 121.3 | -105.6 | 173.9 | -168.7 | 0 | 0 | 113.2 | | |
| 90 | H | 31.3 | Very low | 31.7 | Very low | 177 Ų | 177 | 136.7 Ų | 136.7 | 82% | 0.819 | 76% | 0.757 | S | S | * | * | | | trans | -148.6 | 172.1 | -177.9 | -100.8 | 46.3 | 0 | 0 | 0 | 105.9 | | |
| 91 | P | 39.4 | Very low | 31.6 | Very low | 96 Ų | 96 | 133.1 Ų | 133.1 | 62% | 0.623 | 76% | 0.761 | S | S | * | * | | | cis | -131.9 | -142.2 | -5.9 | 33.1 | -9.4 | 0 | 0 | 0 | 111.1 | | |
| 92 | N | 30.8 | Very low | 31.5 | Very low | 135 Ų | 135 | 131.2 Ų | 131.2 | 72% | 0.722 | 76% | 0.761 | S | S | * | * | | | trans | 85.4 | 137.5 | 167.2 | -53.6 | -32.4 | 0 | 0 | 0 | 115.7 | | |
| 93 | T | 32.1 | Very low | 31.9 | Very low | 114 Ų | 114 | 131.4 Ų | 131.4 | 70% | 0.699 | 76% | 0.76 | S | S | * | * | | | cis | -158.9 | 157.8 | 2.6 | -1.7 | 0 | 0 | 0 | 0 | 111.2 | | |
| 94 | T | 33.5 | Very low | 31.9 | Very low | 120 Ų | 120 | 134.8 Ų | 134.8 | 74% | 0.736 | 76% | 0.764 | S | S | * | * | | | trans | 61.1 | 140.9 | 158.7 | 54.2 | 0 | 0 | 0 | 0 | 118.4 | | |
| 95 | D | 32.3 | Very low | 32.1 | Very low | 125 Ų | 125 | 131.3 Ų | 131.3 | 67% | 0.668 | 76% | 0.757 | S | S | * | * | | | cis | -159.6 | 154.5 | -4.2 | -128.2 | 20.5 | 0 | 0 | 0 | 111.8 | | |
| 96 | N | 32.7 | Very low | 32.2 | Very low | 118 Ų | 118 | 134.2 Ų | 134.2 | 63% | 0.631 | 76% | 0.76 | S | S | * | * | | | trans | 54.1 | 110.6 | 155 | -54.7 | -38.8 | 0 | 0 | 0 | 119.6 | | |
| 97 | T | 31.6 | Very low | 32.5 | Very low | 115 Ų | 115 | 133.4 Ų | 133.4 | 71% | 0.706 | 76% | 0.758 | S | S | * | * | | | | 60 | 135.5 | 83.9 | 61.3 | 0 | 0 | 0 | 0 | 115 | | |
| 98 | E | 32.2 | Very low | 32.4 | Very low | 185 Ų | 185 | 134.1 Ų | 134.1 | 86% | 0.864 | 76% | 0.761 | S | S | * | * | | | cis | -156.7 | 172.5 | 8.9 | -128.9 | 163 | -159.3 | 0 | 0 | 113.5 | | |
| 99 | K | 30.2 | Very low | 32.4 | Very low | 196 Ų | 196 | 136.2 Ų | 136.2 | 85% | 0.852 | 76% | 0.762 | S | S | * | * | | | trans | -149.5 | 168.6 | 178.3 | -140 | -166.5 | 178.6 | 177.1 | 0 | 107 | | |
| 100 | P | 34.4 | Very low | 32.2 | Very low | 122 Ų | 122 | 133.9 Ų | 133.9 | 79% | 0.792 | 76% | 0.755 | S | S | * | * | | | cis | -129 | -176.5 | -10.4 | 42.7 | -26.9 | 0 | 0 | 0 | 114.3 | | |
| 101 | G | 33 | Very low | 32.1 | Very low | 75 Ų | 75 | 133.1 Ų | 133.1 | 77% | 0.773 | 75% | 0.752 | S | S | * | * | | | trans | -170.2 | 101.8 | 170.7 | 0 | 0 | 0 | 0 | 0 | 116 | | |
| 102 | V | 36.3 | Very low | 31.4 | Very low | 138 Ų | 138 | 134.3 Ų | 134.3 | 84% | 0.836 | 76% | 0.757 | S | S | * | * | | | trans | -145.1 | 156.9 | -176.9 | 159.5 | 0 | 0 | 0 | 0 | 106.8 | | |
| 103 | P | 38.1 | Very low | 31.3 | Very low | 104 Ų | 104 | 134.9 Ų | 134.9 | 68% | 0.675 | 76% | 0.756 | S | S | * | * | | | cis | -114.5 | -148.7 | 4.3 | 33.2 | -10.5 | 0 | 0 | 0 | 110.9 | | |
| 104 | H | 31 | Very low | 31 | Very low | 175 Ų | 175 | 135.4 Ų | 135.4 | 81% | 0.81 | 76% | 0.755 | S | S | * | * | | | cis | -162.1 | 175.2 | 6.8 | -143.8 | 0.8 | 0 | 0 | 0 | 112.1 | | |
| 105 | G | 31.1 | Very low | 30.7 | Very low | 69 Ų | 69 | 135.9 Ų | 135.9 | 71% | 0.711 | 75% | 0.752 | S | S | * | * | | | trans | 135.9 | 89.6 | 169.7 | 0 | 0 | 0 | 0 | 0 | 113.5 | | |
| 106 | N | 31 | Very low | 30.4 | Very low | 153 Ų | 153 | 138 Ų | 138 | 82% | 0.818 | 76% | 0.755 | S | S | * | * | | | trans | -90 | 165.6 | -168.4 | -107.6 | 26.5 | 0 | 0 | 0 | 115.3 | | |
| 107 | P | 34.3 | Very low | 30.1 | Very low | 104 Ų | 104 | 139 Ų | 139 | 68% | 0.675 | 76% | 0.759 | S | S | * | * | | | trans | -112.6 | -173.1 | -157.7 | 44.1 | -36.9 | 0 | 0 | 0 | 114.4 | | |
| 108 | E | 28.6 | Very low | 30 | Very low | 188 Ų | 188 | 138 Ų | 138 | 88% | 0.879 | 76% | 0.757 | S | S | * | * | | | trans | -178.5 | 98.6 | 132.2 | -102.9 | 174.6 | -167.2 | 0 | 0 | 112 | | |
| 109 | I | 25.1 | Very low | 29.7 | Very low | 161 Ų | 161 | 138.1 Ų | 138.1 | 83% | 0.826 | 76% | 0.758 | S | S | * | * | | | trans | -145.2 | 154.5 | 167 | -60.2 | -176.1 | 0 | 0 | 0 | 108.2 | | |
| 110 | L | 28.3 | Very low | 29.6 | Very low | 142 Ų | 142 | 138 Ų | 138 | 74% | 0.743 | 76% | 0.757 | S | S | * | * | | | trans | 82.9 | 111.3 | -171.3 | -54 | 169.8 | 0 | 0 | 0 | 111.9 | | |
| 111 | Q | 27.5 | Very low | 29.3 | Very low | 161 Ų | 161 | 135.5 Ų | 135.5 | 75% | 0.752 | 76% | 0.755 | S | S | * | * | | | | 76.5 | 135.8 | 51.8 | -67.8 | -170.8 | -37.4 | 0 | 0 | 114.6 | | |
| 112 | T | 25.8 | Very low | 29.2 | Very low | 120 Ų | 120 | 139.8 Ų | 139.8 | 74% | 0.736 | 76% | 0.759 | S | S | * | * | | | trans | 65 | 140 | 159.3 | 48.2 | 0 | 0 | 0 | 0 | 116.9 | | |
| 113 | E | 28.3 | Very low | 28.7 | Very low | 148 Ų | 148 | 140.4 Ų | 140.4 | 69% | 0.692 | 76% | 0.757 | S | S | * | * | | | cis | -161.9 | 166 | 0.4 | -138.5 | 173.8 | -124.4 | 0 | 0 | 112.9 | | |
| 114 | N | 26.1 | Very low | 28.4 | Very low | 125 Ų | 125 | 143.5 Ų | 143.5 | 67% | 0.668 | 76% | 0.763 | S | S | * | * | | | trans | 67.9 | 162.5 | 159.2 | -59.5 | -42.5 | 0 | 0 | 0 | 117.4 | | |
| 115 | L | 26.9 | Very low | 28.1 | Very low | 130 Ų | 130 | 145.2 Ų | 145.2 | 68% | 0.681 | 76% | 0.762 | S | S | * | * | | | cis | -153 | 159.9 | 14.8 | -162.3 | 66.5 | 0 | 0 | 0 | 111.8 | | |
| 116 | F | 26.9 | Very low | 27.8 | Very low | 169 Ų | 169 | 146.5 Ų | 146.5 | 74% | 0.741 | 76% | 0.76 | S | S | * | * | | | trans | 59.8 | 113.5 | 174.5 | -71.9 | -74.3 | 0 | 0 | 0 | 118.1 | | |
| 117 | I | 25.7 | Very low | 27.6 | Very low | 138 Ų | 138 | 148.8 Ų | 148.8 | 71% | 0.708 | 77% | 0.766 | S | S | * | * | | | cis | 74.6 | 96.9 | 35.5 | -46.1 | 163.3 | 0 | 0 | 0 | 114 | | |
| 118 | S | 28.5 | Very low | 27.1 | Very low | 96 Ų | 96 | 149.2 Ų | 149.2 | 67% | 0.671 | 77% | 0.766 | S | S | * | * | | | | 170.8 | 130.5 | 92.6 | -147.3 | 0 | 0 | 0 | 0 | 113.2 | | |
| 119 | Q | 26.9 | Very low | 27 | Very low | 187 Ų | 187 | 148.3 Ų | 148.3 | 87% | 0.874 | 77% | 0.767 | S | S | * | * | | | trans | -103.1 | 139.2 | 163.5 | -75.5 | 178.8 | -27.9 | 0 | 0 | 109.5 | | |
| 120 | F | 28.7 | Very low | 27 | Very low | 192 Ų | 192 | 146.5 Ų | 146.5 | 84% | 0.842 | 76% | 0.764 | S | S | * | * | | | trans | -145.8 | 130.3 | 158.1 | -97.7 | -77.1 | 0 | 0 | 0 | 110.6 | | |
| 121 | G | 27.8 | Very low | 27 | Very low | 71 Ų | 71 | 144.9 Ų | 144.9 | 73% | 0.732 | 77% | 0.765 | S | S | * | * | | | trans | -137.8 | 136.3 | 167.6 | 0 | 0 | 0 | 0 | 0 | 109.1 | | |
| 122 | L | 30.9 | Very low | 26.9 | Very low | 164 Ų | 164 | 144.3 Ų | 144.3 | 86% | 0.859 | 77% | 0.772 | S | S | * | * | | | trans | -136.1 | 120.3 | 174.5 | -75.4 | 177.3 | 0 | 0 | 0 | 110.2 | | |
| 123 | N | 25.4 | Very low | 27 | Very low | 151 Ų | 151 | 141.8 Ų | 141.8 | 81% | 0.807 | 77% | 0.77 | S | S | * | * | | | trans | -84.6 | 136 | 155.8 | -75.6 | -57.7 | 0 | 0 | 0 | 108.3 | | |
| 124 | Q | 30.6 | Very low | 26.8 | Very low | 169 Ų | 169 | 139.3 Ų | 139.3 | 79% | 0.79 | 77% | 0.769 | S | S | * | * | | | | -174.6 | 143.3 | 108.3 | -101.4 | 174.9 | 92.8 | 0 | 0 | 114.8 | | |
| 125 | R | 26.5 | Very low | 26.8 | Very low | 212 Ų | 212 | 138.7 Ų | 138.7 | 80% | 0.8 | 78% | 0.775 | S | S | * | * | | | trans | 32.1 | 99.4 | 146.9 | -73.6 | -179.8 | 165.7 | 162.4 | -4.9 | 119.9 | | |
| 126 | S | 23.1 | Very low | 26.8 | Very low | 95 Ų | 95 | 138.3 Ų | 138.3 | 66% | 0.664 | 78% | 0.778 | S | S | * | * | | | | 29.9 | 118.4 | 110 | 63.8 | 0 | 0 | 0 | 0 | 119.4 | | |
| 127 | E | 26.8 | Very low | 26.6 | Very low | 202 Ų | 202 | 138 Ų | 138 | 94% | 0.944 | 78% | 0.783 | S | S | * | * | | | | -115.7 | 153 | 129.1 | -70.6 | -166.9 | 141.7 | 0 | 0 | 108.8 | | |
| 128 | V | 24 | Very low | 26.4 | Very low | 113 Ų | 113 | 141.5 Ų | 141.5 | 69% | 0.685 | 79% | 0.788 | S | S | * | * | | | trans | -110.2 | 130.8 | -175.7 | 174.9 | 0 | 0 | 0 | 0 | 109.4 | T130 | V128-T130 HydrophobicContact CG1-CG2 4.17Š|
| 129 | N | 26.7 | Very low | 26.3 | Very low | 168 Ų | 168 | 145.1 Ų | 145.1 | 90% | 0.898 | 80% | 0.799 | S | S | * | * | | | trans | -144.3 | 149.8 | 151.8 | -97.6 | -50.6 | 0 | 0 | 0 | 110 | | |
| 130 | T | 24.6 | Very low | 26.2 | Very low | 123 Ų | 123 | 141.9 Ų | 141.9 | 76% | 0.755 | 79% | 0.788 | S | S | * | * | | | trans | -109.3 | 126.6 | -149.7 | 42.4 | 0 | 0 | 0 | 0 | 114.7 | V128 | V128-T130 HydrophobicContact CG1-CG2 4.17Š|
| 131 | S | 28.7 | Very low | 26.1 | Very low | 109 Ų | 109 | 142 Ų | 142 | 76% | 0.762 | 79% | 0.791 | S | S | * | * | | | trans | -156.2 | 105.9 | 154.8 | 49 | 0 | 0 | 0 | 0 | 112.6 | | |
| 132 | T | 26.4 | Very low | 26.1 | Very low | 148 Ų | 148 | 147 Ų | 147 | 91% | 0.908 | 80% | 0.8 | S | S | * | * | | | trans | 32.1 | 91 | 150.3 | 56.2 | 0 | 0 | 0 | 0 | 118.8 | | |
| 133 | G | 27.9 | Very low | 25.9 | Very low | 67 Ų | 67 | 143.6 Ų | 143.6 | 69% | 0.691 | 79% | 0.79 | S | S | * | * | | | trans | -176.3 | 97.1 | 168.1 | 0 | 0 | 0 | 0 | 0 | 115 | S135 | G133-S135 PolarHBondContact O-N 2.71Š|
| 134 | S | 23.8 | Very low | 26 | Very low | 96 Ų | 96 | 142.5 Ų | 142.5 | 67% | 0.671 | 79% | 0.791 | S | S | * | * | | | trans | -60.7 | 120.4 | -177.9 | -52.7 | 0 | 0 | 0 | 0 | 112.6 | | |
| 135 | S | 26.7 | Very low | 25.9 | Very low | 113 Ų | 113 | 140.5 Ų | 140.5 | 79% | 0.79 | 79% | 0.786 | S | S | * | * | | | trans | -132.8 | 114.6 | 178.5 | -63.6 | 0 | 0 | 0 | 0 | 110.6 | G133 | G133-S135 PolarHBondContact O-N 2.71Š|
| 136 | V | 25.2 | Very low | 26 | Very low | 122 Ų | 122 | 135.5 Ų | 135.5 | 74% | 0.739 | 78% | 0.783 | S | S | * | * | | | trans | -111.7 | 120.8 | 173.6 | 179.2 | 0 | 0 | 0 | 0 | 108.4 | | |
| 137 | L | 23 | Very low | 26.4 | Very low | 161 Ų | 161 | 136.7 Ų | 136.7 | 84% | 0.843 | 79% | 0.787 | S | S | * | * | | | trans | -95.5 | 125.6 | -178.8 | -73.9 | 168 | 0 | 0 | 0 | 111.1 | | |
| 138 | Y | 23.3 | Very low | 26.3 | Very low | 212 Ų | 212 | 133.8 Ų | 133.8 | 83% | 0.831 | 78% | 0.783 | S | S | * | * | | | trans | -87.1 | 121.1 | 165.4 | -84.3 | -90.3 | 0 | 0 | 0 | 110.1 | | |
| 139 | L | 26.1 | Very low | 26.6 | Very low | 172 Ų | 172 | 133 Ų | 133 | 90% | 0.901 | 79% | 0.788 | S | S | * | * | | | trans | -98.8 | 84.1 | 172.1 | -87.5 | 159 | 0 | 0 | 0 | 110.7 | | |
| 140 | N | 24.7 | Very low | 26.6 | Very low | 119 Ų | 119 | 134 Ų | 134 | 64% | 0.636 | 79% | 0.785 | S | S | * | * | | | trans | -106.9 | 117.8 | 156.5 | -80.7 | -45.9 | 0 | 0 | 0 | 107.2 | | |
| 141 | H | 25.9 | Very low | 26.9 | Very low | 194 Ų | 194 | 136.1 Ų | 136.1 | 90% | 0.898 | 79% | 0.789 | S | S | * | * | | | trans | 161.1 | 82.9 | 154.4 | -83.4 | -49 | 0 | 0 | 0 | 110.2 | | |
| 142 | L | 28 | Very low | 27.1 | Very low | 178 Ų | 178 | 137.1 Ų | 137.1 | 93% | 0.932 | 79% | 0.786 | S | S | * | * | | | trans | -133.1 | 131.3 | 158.2 | -76.9 | 174.4 | 0 | 0 | 0 | 108.2 | | |
| 143 | S | 26.9 | Very low | 27.1 | Very low | 92 Ų | 92 | 134 Ų | 134 | 64% | 0.643 | 77% | 0.77 | S | S | * | * | | | trans | -82.7 | 138.9 | 173.2 | -166.9 | 0 | 0 | 0 | 0 | 109 | D145 | S143-D145 PolarHBondContact O-N 3.18Å; S143-D145 PolarHBondContact OG-OD2 2.99Å; S143-D145 VanDerWaalsContact OG-OD2 3.06Å |
| 144 | P | 28.2 | Very low | 27.2 | Very low | 127 Ų | 127 | 136.7 Ų | 136.7 | 83% | 0.825 | 77% | 0.773 | S | S | * | * | | | trans | -82.3 | 78.8 | -179.7 | 33.8 | -34.7 | 0 | 0 | 0 | 111.3 | | |
| 145 | D | 27.7 | Very low | 27.3 | Very low | 127 Ų | 127 | 136 Ų | 136 | 68% | 0.679 | 77% | 0.766 | S | S | * | * | | | trans | -124.5 | 140.4 | 173.1 | -70.2 | -72.4 | 0 | 0 | 0 | 111.3 | S143 | S143-D145 PolarHBondContact O-N 3.18Å; S143-D145 PolarHBondContact OG-OD2 2.99Å; S143-D145 VanDerWaalsContact OG-OD2 3.06Å |
| 146 | S | 29.5 | Very low | 27.2 | Very low | 108 Ų | 108 | 134.4 Ų | 134.4 | 76% | 0.755 | 75% | 0.752 | S | S | * | * | S | Bend | trans | 60.1 | 116.7 | 178.2 | 73.9 | 0 | 0 | 0 | 0 | 120.5 | | |
| 147 | T | 30.9 | Very low | 27.3 | Very low | 120 Ų | 120 | 132.5 Ų | 132.5 | 74% | 0.736 | 74% | 0.744 | S | S | * | * | | | trans | 57.9 | 91 | 136.4 | 58.9 | 0 | 0 | 0 | 0 | 120.7 | | |
| 148 | T | 25.3 | Very low | 27.4 | Very low | 141 Ų | 141 | 130.6 Ų | 130.6 | 87% | 0.865 | 73% | 0.734 | S | S | * | * | | | | 29.4 | 106.5 | 125.9 | 54.2 | 0 | 0 | 0 | 0 | 119.3 | | |
| 149 | A | 29.3 | Very low | 27.6 | Very low | 95 Ų | 95 | 127.2 Ų | 127.2 | 79% | 0.785 | 72% | 0.723 | S | S | * | * | | | trans | -131.4 | 126.8 | 150.4 | 0 | 0 | 0 | 0 | 0 | 109 | | |
| 150 | K | 27.7 | Very low | 27.8 | Very low | 191 Ų | 191 | 124.6 Ų | 124.6 | 83% | 0.83 | 71% | 0.71 | S | S | * | * | | | trans | -75.6 | 138.1 | 173.3 | -74.2 | -175.9 | 176.2 | -177.5 | 0 | 109.8 | | |
| 151 | I | 30.5 | Very low | 28 | Very low | 166 Ų | 166 | 125.5 Ų | 125.5 | 85% | 0.851 | 71% | 0.71 | S | S | * | * | | | trans | -132.7 | 116.5 | 160.8 | -60.2 | 179 | 0 | 0 | 0 | 105.3 | | |
| 152 | D | 31.4 | Very low | 28.3 | Very low | 131 Ų | 131 | 118.7 Ų | 118.7 | 70% | 0.701 | 68% | 0.684 | S | S | * | * | P | Polyproline II helix | trans | -78.5 | 165.1 | -169.5 | -64.6 | -62.2 | 0 | 0 | 0 | 113.5 | | |
| 153 | S | 28.4 | Very low | 28.7 | Very low | 81 Ų | 81 | 114 Ų | 114 | 57% | 0.566 | 68% | 0.678 | S | S | * | * | P | Polyproline II helix | trans | -60.9 | 131.4 | -169.2 | -51.2 | 0 | 0 | 0 | 0 | 114.1 | | |
| 154 | V | 28.5 | Very low | 29.1 | Very low | 124 Ų | 124 | 115.6 Ų | 115.6 | 75% | 0.752 | 68% | 0.68 | S | S | * | * | P | Polyproline II helix | trans | -85.2 | 121 | 167.8 | -180 | 0 | 0 | 0 | 0 | 109.2 | | |
| 155 | P | 26.5 | Very low | 29.4 | Very low | 82 Ų | 82 | 117.3 Ų | 117.3 | 53% | 0.532 | 68% | 0.682 | S | S | . | * | P | Polyproline II helix | trans | -73.5 | 128.3 | 173.4 | 29.8 | -32.9 | 0 | 0 | 0 | 110.4 | | |
| 156 | V | 25.3 | Very low | 29.4 | Very low | 80 Ų | 80 | 115.7 Ų | 115.7 | 49% | 0.485 | 68% | 0.677 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -107 | 111.9 | 169.8 | -179.1 | 0 | 0 | 0 | 0 | 108.2 | L158 | V156-L158 HydrophobicContact CG1-CD2 4.47Å; V156-L158 HydrophobicContact CG1-CG 4.41Å |
| 157 | S | 26.2 | Very low | 29.3 | Very low | 81 Ų | 81 | 114.7 Ų | 114.7 | 57% | 0.566 | 67% | 0.666 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -95.6 | 114.7 | 173.6 | -60.7 | 0 | 0 | 0 | 0 | 109.5 | | |
| 158 | L | 25.2 | Very low | 29.2 | Very low | 122 Ų | 122 | 110.9 Ų | 110.9 | 64% | 0.639 | 65% | 0.648 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -96.8 | 117.5 | 169.8 | -67.4 | 176.1 | 0 | 0 | 0 | 108.9 | V156 | V156-L158 HydrophobicContact CG1-CD2 4.47Å; V156-L158 HydrophobicContact CG1-CG 4.41Å |
| 159 | K | 28.5 | Very low | 29.3 | Very low | 141 Ų | 141 | 108.8 Ų | 108.8 | 61% | 0.613 | 64% | 0.638 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -96 | 118.8 | 172.5 | -164.8 | -171.9 | -170.9 | -165.2 | 0 | 108.3 | E161 | K159-E161 WeakPolarHBondContact CE-OE1 3.12Å; K159-E161 IonicContact NZ-OE1 3.67Å; K159-E161 PolarHBondContact NZ-OE1 3.01Å |
| 160 | L | 30.1 | Very low | 29.2 | Very low | 117 Ų | 117 | 111.1 Ų | 111.1 | 61% | 0.613 | 63% | 0.631 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -103.6 | 123.4 | 169.9 | -73.9 | 164.2 | 0 | 0 | 0 | 108.4 | A168 | L160-A168 PolarHBondContact N-O 3.27Å; L160-A168 PolarHBondContact O-N 3.04Å |
| 161 | E | 28.6 | Very low | 29.1 | Very low | 137 Ų | 137 | 108.1 Ų | 108.1 | 64% | 0.64 | 62% | 0.62 | S | S | * | * | | | trans | -106.6 | 116 | 172.4 | -80.2 | 172 | 179.3 | 0 | 0 | 108.2 | K159 T167 | K159-E161 WeakPolarHBondContact CE-OE1 3.12Å; K159-E161 IonicContact NZ-OE1 3.67Å; K159-E161 PolarHBondContact NZ-OE1 3.01Å; E161-T167 HydrophobicContact CG-CG2 3.84Å |
| 162 | S | 32 | Very low | 28.9 | Very low | 51 Ų | 51 | 104 Ų | 104 | 36% | 0.357 | 61% | 0.606 | S | S | . | * | | | trans | -77.9 | 160.6 | 165.9 | 60.5 | 0 | 0 | 0 | 0 | 109.9 | D164 T166 | S162-D164 PolarHBondContact O-N 3.47Å; S162-D164 PolarHBondContact OG-N 3.09Å; S162-T166 PolarHBondContact OG-N 3.29Å; S162-T166 PolarHBondContact OG-O 3.34Å; S162-T166 PolarHBondContact OG-OG1 2.98Å |
| 163 | G | 35.3 | Very low | 28.6 | Very low | 79 Ų | 79 | 105 Ų | 105 | 81% | 0.814 | 61% | 0.605 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -62 | -21.1 | 168.5 | 0 | 0 | 0 | 0 | 0 | 113.1 | N165 | G163-N165 VanDerWaalsContact C-N 3.34Å; G163-N165 PolarHBondContact O-N 3.39Å |
| 164 | D | 35.6 | Very low | 28.6 | Very low | 126 Ų | 126 | 107.6 Ų | 107.6 | 67% | 0.674 | 61% | 0.61 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -95 | 39.3 | -175.1 | -54.1 | -60.3 | 0 | 0 | 0 | 112.9 | S162 T166 | S162-D164 PolarHBondContact O-N 3.47Å; S162-D164 PolarHBondContact OG-N 3.09Å; D164-T166 PolarHBondContact O-N 3.27Å; D164-T166 PolarHBondContact O-OG1 3.1Å |
| 165 | N | 34.1 | Very low | 28.6 | Very low | 163 Ų | 163 | 107.4 Ų | 107.4 | 87% | 0.872 | 61% | 0.61 | S | S | * | * | S | Bend | trans | 50.2 | 20.7 | 174.1 | -81.1 | -40 | 0 | 0 | 0 | 116.2 | G163 | G163-N165 VanDerWaalsContact C-N 3.34Å; G163-N165 PolarHBondContact O-N 3.39Å |
| 166 | T | 29.3 | Very low | 28.9 | Very low | 94 Ų | 94 | 111.9 Ų | 111.9 | 58% | 0.577 | 62% | 0.621 | S | S | * | * | | | trans | -109.7 | 83.1 | -169.8 | 29.6 | 0 | 0 | 0 | 0 | 110.8 | S162 D164 A168 | S162-T166 PolarHBondContact OG-N 3.29Å; S162-T166 PolarHBondContact OG-O 3.34Å; S162-T166 PolarHBondContact OG-OG1 2.98Å; D164-T166 PolarHBondContact O-N 3.27Å; D164-T166 PolarHBondContact O-OG1 3.1Å; T166-A168 PolarHBondContact O-N 3.07Å; T166-A168 VanDerWaalsContact O-N 3.16Å |
| 167 | T | 27.7 | Very low | 29.1 | Very low | 86 Ų | 86 | 110.9 Ų | 110.9 | 53% | 0.528 | 63% | 0.627 | S | S | . | * | | | trans | -69 | 106.1 | 176.5 | 50.6 | 0 | 0 | 0 | 0 | 111.7 | E161 | E161-T167 HydrophobicContact CG-CG2 3.84Š|
| 168 | A | 28.5 | Very low | 29.4 | Very low | 41 Ų | 41 | 114.2 Ų | 114.2 | 34% | 0.339 | 64% | 0.638 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -89.9 | 122.7 | 166.2 | 0 | 0 | 0 | 0 | 0 | 109.7 | L160 T166 F170 | L160-A168 PolarHBondContact N-O 3.27Å; L160-A168 PolarHBondContact O-N 3.04Å; T166-A168 PolarHBondContact O-N 3.07Å; T166-A168 VanDerWaalsContact O-N 3.16Å; A168-F170 HydrophobicContact CB-CD2 4.35Å; A168-F170 HydrophobicContact CB-CE2 3.74Å; A168-F170 HydrophobicContact CB-CZ 4.45Å |
| 169 | S | 27.4 | Very low | 29.6 | Very low | 96 Ų | 96 | 114 Ų | 114 | 67% | 0.671 | 64% | 0.638 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -110.4 | 108.4 | 177.7 | 176.6 | 0 | 0 | 0 | 0 | 109.8 | | |
| 170 | F | 26.7 | Very low | 29.6 | Very low | 144 Ų | 144 | 114.4 Ų | 114.4 | 63% | 0.632 | 65% | 0.647 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -101.1 | 135.2 | 175.5 | -67 | -82.3 | 0 | 0 | 0 | 110.8 | A168 | A168-F170 HydrophobicContact CB-CD2 4.35Å; A168-F170 HydrophobicContact CB-CE2 3.74Å; A168-F170 HydrophobicContact CB-CZ 4.45Å |
| 171 | Q | 26.2 | Very low | 29.6 | Very low | 129 Ų | 129 | 112.7 Ų | 112.7 | 60% | 0.603 | 65% | 0.649 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -127.6 | 111.8 | 178 | -166.8 | 174 | 30.9 | 0 | 0 | 108.4 | | |
| 172 | S | 25.8 | Very low | 29.5 | Very low | 79 Ų | 79 | 112.8 Ų | 112.8 | 55% | 0.552 | 66% | 0.659 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -120.9 | 144.3 | 179.8 | 59.8 | 0 | 0 | 0 | 0 | 111 | | |
| 173 | F | 25.4 | Very low | 29.2 | Very low | 153 Ų | 153 | 115.8 Ų | 115.8 | 67% | 0.671 | 68% | 0.675 | S | S | * | * | | | trans | -98.8 | 105 | 178.6 | -64.9 | -83.2 | 0 | 0 | 0 | 109.4 | T175 | F173-T175 PolarHBondContact O-N 3.08Š|
| 174 | I | 28.6 | Very low | 28.9 | Very low | 134 Ų | 134 | 113.3 Ų | 113.3 | 69% | 0.687 | 65% | 0.65 | S | S | * | * | | | trans | -81.7 | 105.1 | 173.3 | -58.4 | 176.7 | 0 | 0 | 0 | 108.3 | | |
| 175 | T | 27.9 | Very low | 28.7 | Very low | 120 Ų | 120 | 115.4 Ų | 115.4 | 74% | 0.736 | 66% | 0.66 | S | S | * | * | | | trans | -78.4 | 143.5 | 168.1 | 47.8 | 0 | 0 | 0 | 0 | 110.2 | F173 G177 | F173-T175 PolarHBondContact O-N 3.08Å; T175-G177 PolarHBondContact O-N 3.14Å |
| 176 | K | 32.8 | Very low | 28.7 | Very low | 176 Ų | 176 | 115.1 Ų | 115.1 | 77% | 0.765 | 66% | 0.659 | S | S | * | * | | | trans | -85.9 | 98.5 | -164 | -170.3 | 175.9 | -178.6 | 179.4 | 0 | 112.8 | N179 | K176-N179 WeakPolarHBondContact CE-OD1 3.13Š|
| 177 | G | 29.6 | Very low | 28.9 | Very low | 60 Ų | 60 | 116 Ų | 116 | 62% | 0.619 | 66% | 0.66 | S | S | * | * | | | trans | -72.5 | 166.5 | 157.1 | 0 | 0 | 0 | 0 | 0 | 112.2 | T175 | T175-G177 PolarHBondContact O-N 3.14Š|
| 178 | D | 31.8 | Very low | 29.1 | Very low | 150 Ų | 150 | 116.9 Ų | 116.9 | 80% | 0.802 | 66% | 0.661 | S | S | * | * | | | trans | -63.9 | 154.2 | -167.8 | -84.2 | -51.8 | 0 | 0 | 0 | 115.8 | N180 | D178-N180 PolarHBondContact O-N 3.15Š|
| 179 | N | 29.4 | Very low | 29.2 | Very low | 119 Ų | 119 | 120.7 Ų | 120.7 | 64% | 0.636 | 68% | 0.682 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -70.4 | 77.5 | -169.5 | -48.1 | -75.2 | 0 | 0 | 0 | 113.3 | K176 | K176-N179 WeakPolarHBondContact CE-OD1 3.13Š|
| 180 | N | 29.8 | Very low | 29.5 | Very low | 149 Ų | 149 | 123.4 Ų | 123.4 | 80% | 0.797 | 69% | 0.688 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -166.1 | 12.6 | 153.9 | -98 | -45.4 | 0 | 0 | 0 | 114.1 | D178 T182 | D178-N180 PolarHBondContact O-N 3.15Å; N180-T182 PolarHBondContact O-N 3.19Å; N180-T182 VanDerWaalsContact O-N 3.07Å |
| 181 | A | 28.7 | Very low | 29.8 | Very low | 80 Ų | 80 | 120.3 Ų | 120.3 | 66% | 0.661 | 68% | 0.678 | S | S | * | * | | | trans | -72.7 | 99.3 | -179.1 | 0 | 0 | 0 | 0 | 0 | 112.6 | V183 | A181-V183 VanDerWaalsContact C-N 3.29Å; A181-V183 HydrophobicContact CB-CG2 4.39Å; A181-V183 PolarHBondContact O-N 2.66Å |
| 182 | T | 26.3 | Very low | 30.1 | Very low | 139 Ų | 139 | 119.6 Ų | 119.6 | 85% | 0.853 | 68% | 0.682 | S | S | * | * | | | trans | -70.2 | 89.9 | 154.6 | 50.3 | 0 | 0 | 0 | 0 | 108.2 | N180 G184 | N180-T182 PolarHBondContact O-N 3.19Å; N180-T182 VanDerWaalsContact O-N 3.07Å; T182-G184 PolarHBondContact O-N 2.75Å; T182-G184 VanDerWaalsContact O-N 3.14Å |
| 183 | V | 27.2 | Very low | 30.3 | Very low | 114 Ų | 114 | 122.8 Ų | 122.8 | 69% | 0.691 | 69% | 0.693 | S | S | * | * | | | trans | -62.4 | 113.9 | 177.4 | 179.7 | 0 | 0 | 0 | 0 | 108.9 | A181 | A181-V183 VanDerWaalsContact C-N 3.29Å; A181-V183 HydrophobicContact CB-CG2 4.39Å; A181-V183 PolarHBondContact O-N 2.66Å |
| 184 | G | 27.4 | Very low | 30.6 | Very low | 27 Ų | 27 | 118.1 Ų | 118.1 | 28% | 0.278 | 68% | 0.683 | S | S | . | * | | | trans | -78.4 | 146.1 | 170.7 | 0 | 0 | 0 | 0 | 0 | 109.8 | T182 N186 D187 | T182-G184 PolarHBondContact O-N 2.75Å; T182-G184 VanDerWaalsContact O-N 3.14Å; G184-N186 PolarHBondContact O-N 3.07Å; G184-D187 PolarHBondContact N-OD2 2.84Å; G184-D187 VanDerWaalsContact N-OD2 3.08Å; G184-D187 PolarHBondContact O-N 3.06Å |
| 185 | L | 32.1 | Very low | 30.8 | Very low | 171 Ų | 171 | 117.4 Ų | 117.4 | 90% | 0.895 | 68% | 0.68 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -62.7 | -7.4 | 171.6 | -66.8 | 172.5 | 0 | 0 | 0 | 113.2 | | |
| 186 | N | 34 | Very low | 31.2 | Very low | 157 Ų | 157 | 115.3 Ų | 115.3 | 84% | 0.84 | 67% | 0.67 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -83.3 | -13.5 | 176.5 | -57.1 | -15.4 | 0 | 0 | 0 | 113.1 | G184 L188 | G184-N186 PolarHBondContact O-N 3.07Å; N186-L188 VanDerWaalsContact C-N 3.32Å; N186-L188 PolarHBondContact O-N 3.4Å |
| 187 | D | 32.9 | Very low | 31.2 | Very low | 112 Ų | 112 | 113.4 Ų | 113.4 | 60% | 0.599 | 67% | 0.668 | S | S | * | * | | | trans | -92.2 | 19.8 | -171.6 | -58.1 | -51.7 | 0 | 0 | 0 | 113.4 | G184 P189 | G184-D187 PolarHBondContact N-OD2 2.84Å; G184-D187 VanDerWaalsContact N-OD2 3.08Å; G184-D187 PolarHBondContact O-N 3.06Å; D187-P189 VanDerWaalsContact O-CD 3.3Å; D187-P189 WeakPolarHBondContact O-CD 3.48Å |
| 188 | L | 32.1 | Very low | 31.4 | Very low | 105 Ų | 105 | 115.5 Ų | 115.5 | 55% | 0.55 | 67% | 0.665 | S | S | . | * | | | trans | -107.3 | 95 | 179.5 | -121 | 75.7 | 0 | 0 | 0 | 111.9 | N186 L190 L191 | N186-L188 VanDerWaalsContact C-N 3.32Å; N186-L188 PolarHBondContact O-N 3.4Å; L188-L190 PolarHBondContact O-N 2.85Å; L188-L191 HydrophobicContact CB-CD1 4.34Å; L188-L191 HydrophobicContact CD2-CD1 4.03Å |
| 189 | P | 30.8 | Very low | 31.4 | Very low | 120 Ų | 120 | 116.7 Ų | 116.7 | 78% | 0.779 | 67% | 0.666 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -78.2 | 40.7 | -174.1 | 34.3 | -38.5 | 0 | 0 | 0 | 114.3 | D187 | D187-P189 VanDerWaalsContact O-CD 3.3Å; D187-P189 WeakPolarHBondContact O-CD 3.48Å |
| 190 | L | 33.7 | Very low | 31.5 | Very low | 153 Ų | 153 | 117 Ų | 117 | 80% | 0.801 | 68% | 0.677 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -138.9 | -8 | 176.1 | -74.1 | 177 | 0 | 0 | 0 | 114.8 | L188 | L188-L190 PolarHBondContact O-N 2.85Š|
| 191 | L | 32.8 | Very low | 31.4 | Very low | 79 Ų | 79 | 113.8 Ų | 113.8 | 41% | 0.414 | 66% | 0.663 | S | S | . | * | G | 310 helix | trans | -81.4 | -21.6 | -175.8 | -95.5 | 161.7 | 0 | 0 | 0 | 114.6 | L188 N193 A194 L195 | L188-L191 HydrophobicContact CB-CD1 4.34Å; L188-L191 HydrophobicContact CD2-CD1 4.03Å; L191-N193 PolarHBondContact O-N 3.33Å; L191-A194 PolarHBondContact O-N 3.17Å; L191-A194 VanDerWaalsContact O-N 3.15Å; L191-L195 HydrophobicContact CB-CD1 4.43Å; L191-L195 HydrophobicContact CD2-CD1 4.39Å; L191-L195 HydrophobicContact CD2-CG 4.39Å; L191-L195 PolarHBondContact O-N 3.32Å |
| 192 | T | 32.3 | Very low | 31.4 | Very low | 115 Ų | 115 | 116.1 Ų | 116.1 | 71% | 0.706 | 67% | 0.673 | S | S | * | * | G | 310 helix | trans | -62.9 | -23.1 | -175.9 | 20.1 | 0 | 0 | 0 | 0 | 114.8 | | |
| 193 | N | 30.5 | Very low | 31.3 | Very low | 145 Ų | 145 | 116.6 Ų | 116.6 | 78% | 0.775 | 67% | 0.668 | S | S | * | * | G | 310 helix | trans | -98.7 | -1.4 | 179.1 | -68.8 | 4 | 0 | 0 | 0 | 113.8 | L191 | L191-N193 PolarHBondContact O-N 3.33Š|
| 194 | A | 32.4 | Very low | 31.2 | Very low | 56 Ų | 56 | 117.5 Ų | 117.5 | 46% | 0.463 | 68% | 0.675 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -101.4 | -28.5 | 175.1 | 0 | 0 | 0 | 0 | 0 | 112.3 | L191 | L191-A194 PolarHBondContact O-N 3.17Å; L191-A194 VanDerWaalsContact O-N 3.15Å |
| 195 | L | 33.3 | Very low | 31.2 | Very low | 119 Ų | 119 | 121.9 Ų | 121.9 | 62% | 0.623 | 70% | 0.696 | S | S | * | * | G | 310 helix | trans | -84.5 | -6 | -177 | -64.8 | 172.2 | 0 | 0 | 0 | 114.1 | L191 N197 | L191-L195 HydrophobicContact CB-CD1 4.43Å; L191-L195 HydrophobicContact CD2-CD1 4.39Å; L191-L195 HydrophobicContact CD2-CG 4.39Å; L191-L195 PolarHBondContact O-N 3.32Å; L195-N197 PolarHBondContact O-N 2.92Å |
| 196 | S | 35.1 | Very low | 30.9 | Very low | 75 Ų | 75 | 121 Ų | 121 | 52% | 0.524 | 69% | 0.692 | S | S | . | * | G | 310 helix | trans | -70.8 | -11.4 | 176.9 | 58.3 | 0 | 0 | 0 | 0 | 114.5 | | |
| 197 | N | 34 | Very low | 30.6 | Very low | 136 Ų | 136 | 121.9 Ų | 121.9 | 73% | 0.727 | 69% | 0.691 | S | S | * | * | G | 310 helix | trans | -116.7 | 11.2 | -169.7 | -61.6 | 9.1 | 0 | 0 | 0 | 113 | L195 | L195-N197 PolarHBondContact O-N 2.92Š|
| 198 | L | 32.3 | Very low | 30.3 | Very low | 104 Ų | 104 | 122.6 Ų | 122.6 | 55% | 0.545 | 70% | 0.699 | S | S | . | * | | | trans | -123.5 | 55.4 | 178.6 | -72 | 93.5 | 0 | 0 | 0 | 111.6 | | |
| 199 | E | 31.9 | Very low | 30 | Very low | 176 Ų | 176 | 122.4 Ų | 122.4 | 82% | 0.822 | 71% | 0.713 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -68.2 | 131.4 | 160.4 | -61.2 | -171.9 | 149 | 0 | 0 | 108.8 | | |
| 200 | S | 31.4 | Very low | 29.9 | Very low | 125 Ų | 125 | 123.9 Ų | 123.9 | 87% | 0.874 | 72% | 0.719 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 92.9 | 19.7 | 174.3 | -37.5 | 0 | 0 | 0 | 0 | 120.2 | | |
| 201 | T | 28.5 | Very low | 29.4 | Very low | 82 Ų | 82 | 121.7 Ų | 121.7 | 50% | 0.503 | 72% | 0.717 | S | S | . | * | | | trans | -110.7 | 119.9 | 170.1 | 53.2 | 0 | 0 | 0 | 0 | 114.1 | | |
| 202 | C | 28.4 | Very low | 29.2 | Very low | 128 Ų | 128 | 127 Ų | 127 | 87% | 0.865 | 74% | 0.739 | S | S | * | * | | | trans | -79.8 | 122.9 | 174.7 | -60.7 | 0 | 0 | 0 | 0 | 111.5 | | |
| 203 | I | 24.6 | Very low | 29 | Very low | 149 Ų | 149 | 126.4 Ų | 126.4 | 76% | 0.764 | 74% | 0.74 | S | S | * | * | | | trans | -95.5 | 106 | 179.1 | -54.9 | 177.7 | 0 | 0 | 0 | 110.5 | V205 | I203-V205 HydrophobicContact CG2-CG2 3.88Š|
| 204 | T | 25.1 | Very low | 28.9 | Very low | 134 Ų | 134 | 126 Ų | 126 | 82% | 0.822 | 74% | 0.743 | S | S | * | * | | | trans | -95 | 113.8 | 165.5 | 49.8 | 0 | 0 | 0 | 0 | 109.8 | | |
| 205 | V | 27.1 | Very low | 28.5 | Very low | 119 Ų | 119 | 131.2 Ų | 131.2 | 72% | 0.721 | 75% | 0.752 | S | S | * | * | | | trans | -94.6 | 102.9 | 176.8 | -176.6 | 0 | 0 | 0 | 0 | 109.6 | I203 | I203-V205 HydrophobicContact CG2-CG2 3.88Š|
| 206 | D | 26.1 | Very low | 28.1 | Very low | 151 Ų | 151 | 133.6 Ų | 133.6 | 81% | 0.807 | 76% | 0.764 | S | S | * | * | | | trans | -80.8 | 136.2 | 173.8 | -154.2 | -6.3 | 0 | 0 | 0 | 110.6 | | |
| 207 | Q | 27.4 | Very low | 27.8 | Very low | 176 Ų | 176 | 133.7 Ų | 133.7 | 82% | 0.822 | 77% | 0.769 | S | S | * | * | | | trans | -106.2 | 103.1 | -168.6 | -71.6 | -168.8 | 5.2 | 0 | 0 | 112.6 | | |
| 208 | T | 27.2 | Very low | 27.4 | Very low | 127 Ų | 127 | 134.8 Ų | 134.8 | 78% | 0.779 | 78% | 0.775 | S | S | * | * | | | trans | -124.7 | 118.6 | 170.3 | 54.5 | 0 | 0 | 0 | 0 | 113.7 | | |
| 209 | A | 25.1 | Very low | 27.2 | Very low | 101 Ų | 101 | 141.2 Ų | 141.2 | 84% | 0.835 | 79% | 0.792 | S | S | * | * | | | trans | 57.5 | 71.5 | 149.3 | 0 | 0 | 0 | 0 | 0 | 120.1 | | |
| 210 | V | 28.6 | Very low | 27 | Very low | 151 Ų | 151 | 138 Ų | 138 | 92% | 0.915 | 79% | 0.79 | S | S | * | * | | | trans | -129.2 | 114.9 | 136.6 | -176.8 | 0 | 0 | 0 | 0 | 109.2 | | |
| 211 | S | 24.1 | Very low | 26.9 | Very low | 107 Ų | 107 | 138 Ų | 138 | 75% | 0.748 | 78% | 0.784 | S | S | * | * | | | trans | -94.5 | 108.3 | -173.2 | 56.7 | 0 | 0 | 0 | 0 | 112.9 | | |
| 212 | H | 27.6 | Very low | 26.8 | Very low | 191 Ų | 191 | 138.5 Ų | 138.5 | 88% | 0.884 | 80% | 0.797 | S | S | * | * | | | trans | -153.7 | 138.4 | 151.4 | -107.7 | -80.5 | 0 | 0 | 0 | 109.9 | | |
| 213 | S | 28.2 | Very low | 26.8 | Very low | 103 Ų | 103 | 139.5 Ų | 139.5 | 72% | 0.72 | 80% | 0.799 | S | S | * | * | | | trans | -88.7 | 115.6 | -158 | 48.1 | 0 | 0 | 0 | 0 | 115.7 | Y215 | S213-Y215 PolarHBondContact O-N 3.19Š|
| 214 | T | 29 | Very low | 27 | Very low | 135 Ų | 135 | 139.1 Ų | 139.1 | 83% | 0.828 | 80% | 0.804 | S | S | * | * | | | trans | -81.7 | 99.2 | 162.6 | 34.2 | 0 | 0 | 0 | 0 | 110.8 | L216 | T214-L216 PolarHBondContact O-N 2.86Š|
| 215 | Y | 23.6 | Very low | 27.2 | Very low | 166 Ų | 166 | 137 Ų | 137 | 65% | 0.651 | 80% | 0.8 | S | S | * | * | | | trans | -82 | 80 | -174.3 | -138.7 | -81.6 | 0 | 0 | 0 | 113 | S213 A217 | S213-Y215 PolarHBondContact O-N 3.19Å; Y215-A217 HydrophobicContact CD1-CB 4.1Å; Y215-A217 HydrophobicContact CE1-CB 4.4Å; Y215-A217 PolarHBondContact O-N 2.98Å |
| 216 | L | 25.6 | Very low | 27.3 | Very low | 169 Ų | 169 | 136.7 Ų | 136.7 | 89% | 0.885 | 80% | 0.803 | S | S | * | * | | | trans | -71.5 | 89.3 | 168.6 | -86.5 | 169.3 | 0 | 0 | 0 | 110.9 | T214 | T214-L216 PolarHBondContact O-N 2.86Š|
| 217 | A | 27.8 | Very low | 27.4 | Very low | 77 Ų | 77 | 137.1 Ų | 137.1 | 64% | 0.636 | 81% | 0.805 | S | S | * | * | | | trans | -95.6 | 90 | 174.8 | 0 | 0 | 0 | 0 | 0 | 112.1 | Y215 | Y215-A217 HydrophobicContact CD1-CB 4.1Å; Y215-A217 HydrophobicContact CE1-CB 4.4Å; Y215-A217 PolarHBondContact O-N 2.98Å |
| 218 | N | 25.5 | Very low | 27.6 | Very low | 160 Ų | 160 | 134.4 Ų | 134.4 | 86% | 0.856 | 80% | 0.802 | S | S | * | * | | | trans | -59.8 | 136.1 | 157.1 | -80.1 | -38.8 | 0 | 0 | 0 | 109.4 | | |
| 219 | R | 28.6 | Very low | 27.4 | Very low | 238 Ų | 238 | 134.6 Ų | 134.6 | 90% | 0.898 | 80% | 0.803 | S | S | * | * | | | trans | -137.2 | 91.5 | 160.4 | -157.3 | 170.1 | -167.3 | 167 | 4.9 | 111.6 | | |
| 220 | S | 26.6 | Very low | 27.7 | Very low | 110 Ų | 110 | 137.5 Ų | 137.5 | 77% | 0.769 | 80% | 0.803 | S | S | * | * | | | trans | -76.2 | 124.1 | 172 | 36 | 0 | 0 | 0 | 0 | 111.5 | | |
| 221 | T | 29.8 | Very low | 27.5 | Very low | 124 Ų | 124 | 135.4 Ų | 135.4 | 76% | 0.761 | 80% | 0.795 | S | S | * | * | | | trans | -148.7 | 88.4 | 153.4 | 45.1 | 0 | 0 | 0 | 0 | 106.1 | | |
| 222 | A | 27.3 | Very low | 27.6 | Very low | 93 Ų | 93 | 136 Ų | 136 | 77% | 0.769 | 80% | 0.8 | S | S | * | * | | | | 77.4 | 82.2 | 80.7 | 0 | 0 | 0 | 0 | 0 | 113.1 | | |
| 223 | T | 28.9 | Very low | 27.6 | Very low | 149 Ų | 149 | 130.8 Ų | 130.8 | 91% | 0.914 | 79% | 0.789 | S | S | * | * | | | trans | -151.8 | 143.1 | 144.1 | -8.2 | 0 | 0 | 0 | 0 | 108.1 | | |
| 224 | T | 27.2 | Very low | 27.4 | Very low | 140 Ų | 140 | 132.6 Ų | 132.6 | 86% | 0.859 | 80% | 0.795 | S | S | * | * | | | trans | -115.4 | 133.6 | -157.2 | 47.8 | 0 | 0 | 0 | 0 | 113.8 | | |
| 225 | A | 29.4 | Very low | 27.4 | Very low | 89 Ų | 89 | 131.4 Ų | 131.4 | 74% | 0.736 | 79% | 0.788 | S | S | * | * | | | trans | -163.1 | 137.9 | 149.3 | 0 | 0 | 0 | 0 | 0 | 112.3 | | |
| 226 | S | 30.6 | Very low | 27.5 | Very low | 114 Ų | 114 | 131.3 Ų | 131.3 | 80% | 0.797 | 80% | 0.798 | S | S | * | * | | | trans | 42.1 | 95.4 | 157.1 | 58.4 | 0 | 0 | 0 | 0 | 119.8 | | |
| 227 | L | 28.1 | Very low | 27.7 | Very low | 160 Ų | 160 | 127.3 Ų | 127.3 | 84% | 0.838 | 78% | 0.784 | S | S | * | * | P | Polyproline II helix | trans | -88.9 | 145.9 | 146.1 | -94.9 | 69.9 | 0 | 0 | 0 | 109.8 | | |
| 228 | P | 30.6 | Very low | 27.7 | Very low | 118 Ų | 118 | 131.4 Ų | 131.4 | 77% | 0.766 | 80% | 0.795 | S | S | * | * | P | Polyproline II helix | trans | -92.4 | 128 | 147.9 | 33.2 | -26.8 | 0 | 0 | 0 | 110.3 | | |
| 229 | T | 24.4 | Very low | 27.9 | Very low | 131 Ų | 131 | 130.4 Ų | 130.4 | 80% | 0.804 | 80% | 0.795 | S | S | * | * | P | Polyproline II helix | trans | -80.7 | 124.6 | 174.8 | 48 | 0 | 0 | 0 | 0 | 111.6 | | |
| 230 | I | 29.9 | Very low | 27.8 | Very low | 163 Ų | 163 | 122.6 Ų | 122.6 | 84% | 0.836 | 79% | 0.788 | S | S | * | * | | | trans | -139.1 | 122.3 | 158.6 | -50.8 | -179.8 | 0 | 0 | 0 | 108.7 | | |
| 231 | S | 24.7 | Very low | 28 | Very low | 107 Ų | 107 | 125.1 Ų | 125.1 | 75% | 0.748 | 79% | 0.792 | S | S | * | * | | | trans | -75.6 | 149.6 | 170 | -49.4 | 0 | 0 | 0 | 0 | 110.7 | | |
| 232 | S | 27 | Very low | 27.9 | Very low | 120 Ų | 120 | 125.1 Ų | 125.1 | 84% | 0.839 | 79% | 0.792 | S | S | * | * | | | | 167.6 | 145.9 | 129 | -79 | 0 | 0 | 0 | 0 | 113.9 | | |
| 233 | A | 26.5 | Very low | 28.2 | Very low | 80 Ų | 80 | 128.8 Ų | 128.8 | 66% | 0.661 | 79% | 0.793 | S | S | * | * | | | trans | 24.4 | 115.2 | 149.5 | 0 | 0 | 0 | 0 | 0 | 119.7 | V235 | A233-V235 HydrophobicContact CB-CG2 4.14Å; A233-V235 PolarHBondContact O-N 3.49Å; A233-V235 VanDerWaalsContact O-N 3.09Å |
| 234 | V | 25.4 | Very low | 28.3 | Very low | 141 Ų | 141 | 128.9 Ų | 128.9 | 86% | 0.855 | 79% | 0.788 | S | S | * | * | | | trans | -66.6 | 102.1 | 149.1 | 175.6 | 0 | 0 | 0 | 0 | 107.7 | L236 | V234-L236 PolarHBondContact O-N 3.4Å; V234-L236 VanDerWaalsContact O-N 3.1Å |
| 235 | V | 27.5 | Very low | 28.4 | Very low | 111 Ų | 111 | 128.2 Ų | 128.2 | 67% | 0.673 | 79% | 0.786 | S | S | * | * | | | trans | -78.6 | 93 | 176.4 | 179 | 0 | 0 | 0 | 0 | 109.2 | A233 S237 | A233-V235 HydrophobicContact CB-CG2 4.14Å; A233-V235 PolarHBondContact O-N 3.49Å; A233-V235 VanDerWaalsContact O-N 3.09Å; V235-S237 VanDerWaalsContact CG1-OG 3.3Å; V235-S237 WeakPolarHBondContact CG1-OG 3.46Å |
| 236 | L | 27.2 | Very low | 28.5 | Very low | 163 Ų | 163 | 130.2 Ų | 130.2 | 85% | 0.853 | 79% | 0.794 | S | S | * | * | | | trans | -71 | 125.2 | 156.4 | -76.4 | 168.1 | 0 | 0 | 0 | 108.1 | V234 | V234-L236 PolarHBondContact O-N 3.4Å; V234-L236 VanDerWaalsContact O-N 3.1Å |
| 237 | S | 28.1 | Very low | 28.2 | Very low | 86 Ų | 86 | 133.1 Ų | 133.1 | 60% | 0.601 | 80% | 0.799 | S | S | * | * | | | trans | -154.2 | 110.8 | 174.9 | -72.5 | 0 | 0 | 0 | 0 | 110.5 | V235 | V235-S237 VanDerWaalsContact CG1-OG 3.3Å; V235-S237 WeakPolarHBondContact CG1-OG 3.46Å |
| 238 | N | 27.8 | Very low | 28.2 | Very low | 162 Ų | 162 | 130.9 Ų | 130.9 | 87% | 0.866 | 80% | 0.797 | S | S | * | * | | | trans | 157.6 | 64.2 | 132.2 | -76.6 | -9.3 | 0 | 0 | 0 | 112.4 | | |
| 239 | V | 31.1 | Very low | 28 | Very low | 139 Ų | 139 | 132 Ų | 132 | 84% | 0.842 | 80% | 0.801 | S | S | * | * | | | trans | -128.1 | 115.9 | 145.3 | -178.6 | 0 | 0 | 0 | 0 | 106 | | |
| 240 | G | 25.7 | Very low | 28.1 | Very low | 74 Ų | 74 | 131.3 Ų | 131.3 | 76% | 0.763 | 80% | 0.802 | S | S | * | * | | | trans | -96.6 | 108.1 | -177.5 | 0 | 0 | 0 | 0 | 0 | 111 | | |
| 241 | L | 32.2 | Very low | 28 | Very low | 164 Ų | 164 | 127.6 Ų | 127.6 | 86% | 0.859 | 80% | 0.796 | S | S | * | * | | | trans | -120.6 | 137.8 | 158.3 | -70.8 | 176.3 | 0 | 0 | 0 | 108.2 | | |
| 242 | T | 27.7 | Very low | 28.3 | Very low | 123 Ų | 123 | 130.7 Ų | 130.7 | 76% | 0.755 | 80% | 0.804 | S | S | * | * | | | trans | -101.8 | 160 | -171.5 | 50.6 | 0 | 0 | 0 | 0 | 111.2 | | |
| 243 | Q | 33.4 | Very low | 28.5 | Very low | 170 Ų | 170 | 130.2 Ų | 130.2 | 79% | 0.794 | 80% | 0.796 | S | S | * | * | | | trans | 70.8 | 93.5 | 171.4 | -47.3 | 176.5 | 20.2 | 0 | 0 | 116.1 | | |
| 244 | N | 29.5 | Very low | 28.8 | Very low | 151 Ų | 151 | 134.4 Ų | 134.4 | 81% | 0.807 | 81% | 0.807 | S | S | * | * | | | | 173.4 | 130.7 | 108.7 | -85.7 | -38.5 | 0 | 0 | 0 | 112.1 | | |
| 245 | P | 31 | Very low | 29.1 | Very low | 126 Ų | 126 | 132.9 Ų | 132.9 | 82% | 0.818 | 80% | 0.8 | S | S | * | * | | | trans | -102.8 | 110 | 178.1 | 35.4 | -28.1 | 0 | 0 | 0 | 112.8 | | |
| 246 | C | 30.2 | Very low | 29.6 | Very low | 132 Ų | 132 | 133.8 Ų | 133.8 | 89% | 0.892 | 81% | 0.806 | S | S | * | * | | | trans | -125 | 130.3 | 167.6 | -75 | 0 | 0 | 0 | 0 | 110.7 | | |
| 247 | L | 24 | Very low | 30 | Very low | 175 Ų | 175 | 131.7 Ų | 131.7 | 92% | 0.916 | 80% | 0.802 | S | S | * | * | | | trans | -92.2 | 144.9 | -177.6 | -73 | 143.5 | 0 | 0 | 0 | 111.5 | | |
| 248 | S | 28.8 | Very low | 30.2 | Very low | 113 Ų | 113 | 131.2 Ų | 131.2 | 79% | 0.79 | 81% | 0.811 | S | S | * | * | | | | -177.5 | 146.5 | 115.3 | 38.2 | 0 | 0 | 0 | 0 | 111.7 | | |
| 249 | V | 25.3 | Very low | 30.3 | Very low | 140 Ų | 140 | 132 Ų | 132 | 85% | 0.848 | 81% | 0.813 | S | S | * | * | | | trans | -132 | 116.7 | 166.7 | 174.8 | 0 | 0 | 0 | 0 | 106.3 | | |
| 250 | S | 27.7 | Very low | 30.3 | Very low | 118 Ų | 118 | 129.3 Ų | 129.3 | 83% | 0.825 | 81% | 0.805 | S | S | * | * | | | trans | -85.8 | 130 | 170.6 | -63.1 | 0 | 0 | 0 | 0 | 109.4 | | |
| 251 | A | 28.4 | Very low | 30.2 | Very low | 85 Ų | 85 | 135.6 Ų | 135.6 | 70% | 0.702 | 81% | 0.812 | S | S | * | * | | | trans | -126.7 | 109.4 | 174.1 | 0 | 0 | 0 | 0 | 0 | 108.8 | | |
| 252 | D | 31.1 | Very low | 30.1 | Very low | 172 Ų | 172 | 133.7 Ų | 133.7 | 92% | 0.92 | 81% | 0.812 | S | S | * | * | | | trans | -75.6 | 153.2 | 174.4 | -84.9 | -52.2 | 0 | 0 | 0 | 111.9 | | |
| 253 | T | 30.8 | Very low | 30.1 | Very low | 110 Ų | 110 | 133.9 Ų | 133.9 | 68% | 0.675 | 81% | 0.813 | S | S | * | * | | | trans | -110.6 | 148.6 | -155.3 | 56.7 | 0 | 0 | 0 | 0 | 114 | | |
| 254 | N | 31.8 | Very low | 29.9 | Very low | 168 Ų | 168 | 137.7 Ų | 137.7 | 90% | 0.898 | 82% | 0.82 | S | S | * | * | | | trans | -167.1 | 112.4 | 146.2 | -100.5 | -51.7 | 0 | 0 | 0 | 110.6 | | |
| 255 | P | 33 | Very low | 29.9 | Very low | 109 Ų | 109 | 137.9 Ų | 137.9 | 71% | 0.708 | 82% | 0.821 | S | S | * | * | | | trans | -111.8 | -162.7 | 179.5 | 29.6 | -12.3 | 0 | 0 | 0 | 113.6 | | |
| 256 | V | 36.5 | Very low | 30.1 | Very low | 130 Ų | 130 | 140.7 Ų | 140.7 | 79% | 0.788 | 82% | 0.823 | S | S | * | * | | | trans | 87 | 135.7 | 161.5 | -170.9 | 0 | 0 | 0 | 0 | 116 | | |
| 257 | P | 35.8 | Very low | 30.1 | Very low | 119 Ų | 119 | 139.8 Ų | 139.8 | 77% | 0.773 | 82% | 0.816 | S | S | * | * | | | cis | -144.6 | 175.8 | -36.6 | 41.8 | -23.1 | 0 | 0 | 0 | 116.3 | | |
| 258 | G | 32.2 | Very low | 31.1 | Very low | 76 Ų | 76 | 137.7 Ų | 137.7 | 78% | 0.784 | 81% | 0.813 | S | S | * | * | | | trans | 82.9 | 160.5 | 158.3 | 0 | 0 | 0 | 0 | 0 | 116.8 | | |
| 259 | I | 31 | Very low | 31.2 | Very low | 179 Ų | 179 | 142.6 Ų | 142.6 | 92% | 0.918 | 82% | 0.816 | S | S | * | * | | | cis | -129.8 | 172.4 | 8.3 | -72.6 | 175.6 | 0 | 0 | 0 | 110.8 | | |
| 260 | A | 29.6 | Very low | 31.5 | Very low | 81 Ų | 81 | 143.2 Ų | 143.2 | 67% | 0.669 | 81% | 0.813 | S | S | * | * | | | trans | -72.6 | 154.8 | -160.8 | 0 | 0 | 0 | 0 | 0 | 120 | | |
| 261 | F | 24.2 | Very low | 31.7 | Very low | 207 Ų | 207 | 143 Ų | 143 | 91% | 0.908 | 81% | 0.808 | S | S | * | * | | | trans | -6.5 | 143 | 150.4 | -52.9 | -91.4 | 0 | 0 | 0 | 120.7 | | |
| 262 | S | 30.1 | Very low | 31.9 | Very low | 123 Ų | 123 | 142.7 Ų | 142.7 | 86% | 0.86 | 81% | 0.806 | S | S | * | * | | | | -163.3 | 164.7 | 110.4 | -160.3 | 0 | 0 | 0 | 0 | 112.1 | | |
| 263 | T | 28.5 | Very low | 32.1 | Very low | 128 Ų | 128 | 140.6 Ų | 140.6 | 79% | 0.785 | 80% | 0.801 | S | S | * | * | | | trans | -118.6 | 141.3 | -173.4 | 53 | 0 | 0 | 0 | 0 | 113.3 | | |
| 264 | R | 29.4 | Very low | 32 | Very low | 250 Ų | 250 | 142.5 Ų | 142.5 | 94% | 0.943 | 81% | 0.807 | S | S | * | * | | | trans | -160.9 | 149.8 | 153 | -129.5 | 172.7 | -177.7 | 166.6 | 1.1 | 113.8 | | |
| 265 | N | 29.6 | Very low | 32.1 | Very low | 154 Ų | 154 | 140.7 Ų | 140.7 | 82% | 0.824 | 80% | 0.801 | S | S | * | * | | | trans | -85.6 | 137.6 | 177.4 | -57.2 | -40.6 | 0 | 0 | 0 | 111.4 | | |
| 266 | Q | 33.2 | Very low | 32 | Very low | 185 Ų | 185 | 142.1 Ų | 142.1 | 86% | 0.864 | 80% | 0.803 | S | S | * | * | | | | 170.3 | 153.8 | 124.5 | -95.2 | 176 | -20.2 | 0 | 0 | 111.3 | | |
| 267 | P | 31.6 | Very low | 31.8 | Very low | 114 Ų | 114 | 139 Ų | 139 | 74% | 0.74 | 80% | 0.796 | S | S | * | * | | | trans | -85.6 | 144.6 | -176.9 | 34 | -34.2 | 0 | 0 | 0 | 112.7 | Y269 | P267-Y269 PolarHBondContact O-N 3.04Š|
| 268 | P | 43.5 | Very low | 31.6 | Very low | 130 Ų | 130 | 140.7 Ų | 140.7 | 84% | 0.844 | 80% | 0.799 | S | S | * | * | | | trans | -77.7 | 109 | 174.2 | 30.6 | -32.5 | 0 | 0 | 0 | 111.4 | | |
| 269 | Y | 32.5 | Very low | 31.6 | Very low | 217 Ų | 217 | 140.2 Ų | 140.2 | 85% | 0.851 | 79% | 0.794 | S | S | * | * | | | trans | -64.2 | 158 | 151.7 | -152.4 | -96.5 | 0 | 0 | 0 | 109 | P267 P271 | P267-Y269 PolarHBondContact O-N 3.04Å; Y269-P271 WeakPolarHBondContact O-CD 3.31Å |
| 270 | I | 31.2 | Very low | 31.6 | Very low | 153 Ų | 153 | 138.6 Ų | 138.6 | 79% | 0.785 | 79% | 0.786 | S | S | * | * | | | trans | -74.6 | 133.5 | -178.4 | -59.3 | 168.2 | 0 | 0 | 0 | 110.7 | | |
| 271 | P | 31.5 | Very low | 31.6 | Very low | 113 Ų | 113 | 140 Ų | 140 | 73% | 0.734 | 79% | 0.787 | S | S | * | * | | | trans | -120.4 | 150 | 142.1 | 37.2 | -31.6 | 0 | 0 | 0 | 111.7 | Y269 | Y269-P271 WeakPolarHBondContact O-CD 3.31Š|
| 272 | A | 33.3 | Very low | 31.8 | Very low | 79 Ų | 79 | 137.9 Ų | 137.9 | 65% | 0.653 | 78% | 0.784 | S | S | * | * | | | trans | -79.9 | 151.6 | 172.5 | 0 | 0 | 0 | 0 | 0 | 111.6 | L274 | A272-L274 VanDerWaalsContact C-N 3.35Å; A272-L274 PolarHBondContact O-N 3.23Å |
| 273 | P | 35.2 | Very low | 31.9 | Very low | 127 Ų | 127 | 138 Ų | 138 | 83% | 0.825 | 78% | 0.78 | S | S | * | * | | | trans | -74.8 | 85.9 | 167.5 | 31.5 | -33.4 | 0 | 0 | 0 | 110.7 | | |
| 274 | L | 28.7 | Very low | 31.9 | Very low | 151 Ų | 151 | 137.5 Ų | 137.5 | 79% | 0.791 | 78% | 0.777 | S | S | * | * | | | trans | -84.1 | 99.8 | 157.7 | -84.4 | 174.1 | 0 | 0 | 0 | 109.2 | A272 L276 | A272-L274 VanDerWaalsContact C-N 3.35Å; A272-L274 PolarHBondContact O-N 3.23Å; L274-L276 HydrophobicContact CB-CD1 4.32Å |
| 275 | V | 33.9 | Very low | 31.9 | Very low | 129 Ų | 129 | 132.4 Ų | 132.4 | 78% | 0.782 | 77% | 0.768 | S | S | * | * | | | trans | -141.6 | 102.8 | 166.5 | -178.9 | 0 | 0 | 0 | 0 | 105.1 | | |
| 276 | L | 30 | Very low | 31.9 | Very low | 140 Ų | 140 | 131.9 Ų | 131.9 | 73% | 0.733 | 76% | 0.764 | S | S | * | * | | | | 63.2 | 143 | 63.2 | -74 | 78.8 | 0 | 0 | 0 | 113.6 | L274 | L274-L276 HydrophobicContact CB-CD1 4.32Š|
| 277 | G | 32 | Very low | 31.8 | Very low | 64 Ų | 64 | 129 Ų | 129 | 66% | 0.66 | 76% | 0.759 | S | S | * | * | | | trans | 103.6 | 73.7 | -174 | 0 | 0 | 0 | 0 | 0 | 111.4 | | |
| 278 | N | 31.9 | Very low | 31.8 | Very low | 154 Ų | 154 | 127.6 Ų | 127.6 | 82% | 0.824 | 76% | 0.758 | S | S | * | * | | | | 77.5 | 137.4 | 64.6 | -55.4 | 1.9 | 0 | 0 | 0 | 112.6 | | |
| 279 | G | 31.7 | Very low | 31.4 | Very low | 66 Ų | 66 | 129.1 Ų | 129.1 | 68% | 0.68 | 75% | 0.753 | S | S | * | * | | | trans | 120.6 | 73.5 | -168.9 | 0 | 0 | 0 | 0 | 0 | 110.4 | | |
| 280 | L | 32.5 | Very low | 31.6 | Very low | 145 Ų | 145 | 125 Ų | 125 | 76% | 0.759 | 75% | 0.746 | S | S | * | * | | | cis | 53.1 | 86.1 | 48.9 | -62.8 | 179.9 | 0 | 0 | 0 | 110.2 | | |
| 281 | T | 28.1 | Very low | 32.1 | Very low | 110 Ų | 110 | 122.3 Ų | 122.3 | 68% | 0.675 | 74% | 0.74 | S | S | * | * | | | | 77.1 | 117.1 | 90.3 | 54.7 | 0 | 0 | 0 | 0 | 113.8 | | |
| 282 | L | 28.3 | Very low | 32.4 | Very low | 163 Ų | 163 | 122.6 Ų | 122.6 | 85% | 0.853 | 75% | 0.745 | S | S | * | * | | | trans | 65.2 | 161.8 | 164.6 | -53.3 | 165.7 | 0 | 0 | 0 | 113.1 | | |
| 283 | T | 33 | Very low | 32.6 | Very low | 127 Ų | 127 | 121.8 Ų | 121.8 | 78% | 0.779 | 75% | 0.745 | S | S | * | * | | | cis | -142.3 | 159 | 12 | -37.6 | 0 | 0 | 0 | 0 | 110.4 | | |
| 284 | T | 28.8 | Very low | 32.5 | Very low | 117 Ų | 117 | 123.7 Ų | 123.7 | 72% | 0.718 | 75% | 0.747 | S | S | * | * | | | trans | -62.1 | 162.4 | 162.6 | -30.8 | 0 | 0 | 0 | 0 | 111.4 | | |
| 285 | L | 28.8 | Very low | 32.7 | Very low | 143 Ų | 143 | 124 Ų | 124 | 75% | 0.749 | 75% | 0.749 | S | S | * | * | | | trans | 90.4 | 116.9 | 158 | -61.2 | 169.5 | 0 | 0 | 0 | 120.2 | | |
| 286 | L | 29.7 | Very low | 32.8 | Very low | 142 Ų | 142 | 124 Ų | 124 | 74% | 0.743 | 75% | 0.75 | S | S | * | * | | | trans | 82.7 | 139.4 | 130.7 | -67.7 | 169.8 | 0 | 0 | 0 | 122.3 | | |
| 287 | T | 31.1 | Very low | 33.2 | Very low | 124 Ų | 124 | 122.2 Ų | 122.2 | 76% | 0.761 | 75% | 0.746 | S | S | * | * | | | trans | 64.7 | 119.6 | 151.1 | 45.9 | 0 | 0 | 0 | 0 | 117.5 | | |
| 288 | A | 32.4 | Very low | 33.3 | Very low | 86 Ų | 86 | 124.5 Ų | 124.5 | 71% | 0.711 | 75% | 0.747 | S | S | * | * | | | | 77.7 | 138.4 | 95.2 | 0 | 0 | 0 | 0 | 0 | 112.3 | | |
| 289 | E | 35 | Very low | 33.4 | Very low | 162 Ų | 162 | 123.3 Ų | 123.3 | 76% | 0.757 | 75% | 0.746 | S | S | * | * | | | cis | -160.7 | 176.6 | 5.6 | -130 | 178.5 | -148.1 | 0 | 0 | 109.7 | | |
| 290 | N | 36.5 | Very low | 33.7 | Very low | 131 Ų | 131 | 126.1 Ų | 126.1 | 70% | 0.701 | 75% | 0.752 | S | S | * | * | | | trans | 27.4 | 136.4 | 142.6 | -61.1 | -32 | 0 | 0 | 0 | 120.8 | | |
| 291 | S | 41.1 | Very low | 33.6 | Very low | 95 Ų | 95 | 126.2 Ų | 126.2 | 66% | 0.664 | 75% | 0.754 | S | S | * | * | | | cis | -177.7 | 177 | 3.1 | 59.8 | 0 | 0 | 0 | 0 | 111 | | |
| 292 | S | 39.2 | Very low | 34.1 | Very low | 119 Ų | 119 | 127.5 Ų | 127.5 | 83% | 0.832 | 76% | 0.761 | S | S | * | * | | | trans | 70.2 | 135 | 156.7 | -49.7 | 0 | 0 | 0 | 0 | 117.9 | | |
| 293 | G | 36.6 | Very low | 34.3 | Very low | 63 Ų | 63 | 124 Ų | 124 | 65% | 0.649 | 76% | 0.756 | S | S | * | * | | | cis | -152.3 | 153.2 | -4.9 | 0 | 0 | 0 | 0 | 0 | 110.2 | | |
| 294 | L | 32.4 | Very low | 34.5 | Very low | 166 Ų | 166 | 128 Ų | 128 | 87% | 0.869 | 76% | 0.763 | S | S | * | * | | | | 57.4 | 124.1 | 94.7 | -98.6 | 73.5 | 0 | 0 | 0 | 113.4 | | |
| 295 | L | 34.6 | Very low | 34.7 | Very low | 157 Ų | 157 | 129.7 Ų | 129.7 | 82% | 0.822 | 77% | 0.767 | S | S | * | * | | | cis | -136.9 | 168 | 24.8 | -83.3 | 162.9 | 0 | 0 | 0 | 114.6 | | |
| 296 | T | 34.3 | Very low | 35.3 | Very low | 131 Ų | 131 | 128.1 Ų | 128.1 | 80% | 0.804 | 77% | 0.765 | S | S | * | * | | | trans | -115.9 | -157.2 | 178.5 | 50.3 | 0 | 0 | 0 | 0 | 110.4 | | |
| 297 | P | 38.9 | Very low | 35.5 | Very low | 102 Ų | 102 | 128.4 Ų | 128.4 | 66% | 0.662 | 77% | 0.766 | S | S | * | * | | | | -129.6 | -156.3 | -85.3 | 41 | -23.6 | 0 | 0 | 0 | 114 | | |
| 298 | T | 35.1 | Very low | 35.7 | Very low | 111 Ų | 111 | 129.9 Ų | 129.9 | 68% | 0.681 | 77% | 0.769 | S | S | * | * | | | trans | 72 | 110.8 | 152.6 | 43.6 | 0 | 0 | 0 | 0 | 121.9 | | |
| 299 | T | 33.2 | Very low | 36 | Very low | 129 Ų | 129 | 129.7 Ų | 129.7 | 79% | 0.791 | 77% | 0.767 | S | S | * | * | | | trans | 60.6 | 138.9 | 134.5 | 62.7 | 0 | 0 | 0 | 0 | 120.2 | | |
| 300 | P | 37.7 | Very low | 36.2 | Very low | 125 Ų | 125 | 127.5 Ų | 127.5 | 81% | 0.812 | 77% | 0.77 | S | S | * | * | | | | -145.9 | 175.4 | 87.2 | 41.5 | -26.6 | 0 | 0 | 0 | 115.9 | | |
| 301 | N | 31.7 | Very low | 36.6 | Very low | 148 Ų | 148 | 127.7 Ų | 127.7 | 79% | 0.791 | 78% | 0.778 | S | S | * | * | | | trans | -83.6 | -179.7 | 160.8 | -91.2 | -33.8 | 0 | 0 | 0 | 111.1 | | |
| 302 | T | 37.3 | Very low | 36.7 | Very low | 136 Ų | 136 | 126.4 Ų | 126.4 | 83% | 0.834 | 78% | 0.78 | S | S | * | * | | | trans | 91.8 | 116.4 | 159.8 | 70.4 | 0 | 0 | 0 | 0 | 119.7 | | |
| 303 | A | 32.5 | Very low | 36.9 | Very low | 90 Ų | 90 | 127.3 Ų | 127.3 | 74% | 0.744 | 78% | 0.783 | S | S | * | * | | | trans | 41.9 | 122 | 136.9 | 0 | 0 | 0 | 0 | 0 | 121.9 | | |
| 304 | F | 36.6 | Very low | 37 | Very low | 212 Ų | 212 | 128.4 Ų | 128.4 | 93% | 0.93 | 79% | 0.794 | S | S | * | * | | | trans | -145.5 | 140.9 | 131.4 | -99.2 | -75.2 | 0 | 0 | 0 | 110.8 | | |
| 305 | L | 34.1 | Very low | 37.1 | Very low | 151 Ų | 151 | 124.3 Ų | 124.3 | 79% | 0.791 | 79% | 0.792 | S | S | * | * | | | trans | -109.5 | 152.2 | 172.6 | -83.7 | 164.5 | 0 | 0 | 0 | 109.6 | | |
| 306 | P | 40.9 | Very low | 37 | Very low | 110 Ų | 110 | 126.6 Ų | 126.6 | 71% | 0.714 | 80% | 0.796 | S | S | * | * | | | | -116.6 | 148.5 | 109.9 | -8 | 28.7 | 0 | 0 | 0 | 111 | | |
| 307 | L | 34.8 | Very low | 37.1 | Very low | 148 Ų | 148 | 130.8 Ų | 130.8 | 78% | 0.775 | 80% | 0.798 | S | S | * | * | | | | 58 | 120.8 | 62.1 | -54.7 | 160.7 | 0 | 0 | 0 | 110.9 | | |
| 308 | L | 35 | Very low | 37.2 | Very low | 156 Ų | 156 | 131.4 Ų | 131.4 | 82% | 0.817 | 80% | 0.8 | S | S | * | * | | | cis | -146.4 | 176.6 | 11.1 | -140.5 | 67.1 | 0 | 0 | 0 | 107.1 | | |
| 309 | A | 37.9 | Very low | 37.4 | Very low | 81 Ų | 81 | 132.4 Ų | 132.4 | 67% | 0.669 | 81% | 0.809 | S | S | * | * | | | cis | -156.3 | -154.4 | 12.3 | 0 | 0 | 0 | 0 | 0 | 112.4 | | |
| 310 | S | 38.9 | Very low | 37.6 | Very low | 117 Ų | 117 | 130 Ų | 130 | 82% | 0.818 | 81% | 0.809 | S | S | * | * | | | trans | -148.9 | 173 | 169.7 | -42.9 | 0 | 0 | 0 | 0 | 107.6 | | |
| 311 | P | 46.4 | Very low | 37.3 | Very low | 134 Ų | 134 | 130.5 Ų | 130.5 | 87% | 0.87 | 81% | 0.81 | S | S | * | * | | | | -131.7 | -170 | 51 | 38.5 | -18.9 | 0 | 0 | 0 | 112.5 | | |
| 312 | G | 41.9 | Very low | 37.4 | Very low | 68 Ų | 68 | 131.6 Ų | 131.6 | 70% | 0.701 | 82% | 0.815 | S | S | * | * | | | cis | -166.4 | -179 | 4.9 | 0 | 0 | 0 | 0 | 0 | 112.7 | | |
| 313 | P | 44.7 | Very low | 37.4 | Very low | 139 Ų | 139 | 131.4 Ų | 131.4 | 90% | 0.903 | 81% | 0.814 | S | S | * | * | | | trans | -125.6 | 170.9 | -153.1 | 42.3 | -31 | 0 | 0 | 0 | 117.4 | | |
| 314 | G | 37.8 | Very low | 37.6 | Very low | 85 Ų | 85 | 130.9 Ų | 130.9 | 88% | 0.876 | 82% | 0.817 | S | S | * | * | | | trans | 133 | 134.9 | 152.3 | 0 | 0 | 0 | 0 | 0 | 115.7 | | |
| 315 | G | 35 | Very low | 37.8 | Very low | 80 Ų | 80 | 129.8 Ų | 129.8 | 83% | 0.825 | 82% | 0.82 | S | S | * | * | | | trans | 162.1 | 31.4 | 175.6 | 0 | 0 | 0 | 0 | 0 | 120.2 | | |
| 316 | F | 31.4 | Very low | 38 | Very low | 206 Ų | 206 | 126.6 Ų | 126.6 | 90% | 0.904 | 82% | 0.823 | S | S | * | * | | | trans | -97.5 | 113.2 | 172.7 | -85.7 | -84.6 | 0 | 0 | 0 | 111.7 | | |
| 317 | Y | 36.5 | Very low | 37.7 | Very low | 219 Ų | 219 | 128.6 Ų | 128.6 | 86% | 0.859 | 83% | 0.828 | S | S | * | * | | | trans | -148.8 | 117 | 163.3 | -93.4 | -73.6 | 0 | 0 | 0 | 114.4 | | |
| 318 | T | 42.4 | Very low | 38.2 | Very low | 114 Ų | 114 | 126.5 Ų | 126.5 | 70% | 0.699 | 82% | 0.823 | S | S | * | * | | | trans | 32.4 | 127.1 | 143.1 | 55.5 | 0 | 0 | 0 | 0 | 121.8 | | |
| 319 | P | 38.2 | Very low | 38.3 | Very low | 132 Ų | 132 | 125.3 Ų | 125.3 | 86% | 0.857 | 82% | 0.823 | S | S | * | * | P | Polyproline II helix | trans | -74.2 | 128.1 | 156.5 | 32.2 | -31.7 | 0 | 0 | 0 | 110.8 | | |
| 320 | G | 37.3 | Very low | 38.3 | Very low | 78 Ų | 78 | 125.1 Ų | 125.1 | 80% | 0.804 | 83% | 0.828 | S | S | * | * | P | Polyproline II helix | trans | -88.3 | 129.8 | 179.7 | 0 | 0 | 0 | 0 | 0 | 113.3 | | |
| 321 | V | 31.7 | Very low | 38 | Very low | 137 Ų | 137 | 124.8 Ų | 124.8 | 83% | 0.83 | 82% | 0.822 | S | S | * | * | P | Polyproline II helix | trans | -85.9 | 130.3 | 171.8 | 174.8 | 0 | 0 | 0 | 0 | 109.9 | | |
| 322 | L | 35 | Very low | 37.3 | Very low | 171 Ų | 171 | 127.1 Ų | 127.1 | 90% | 0.895 | 82% | 0.818 | S | S | * | * | | | trans | -134.1 | 133.3 | 158.7 | -96.7 | 174.3 | 0 | 0 | 0 | 112 | | |
| 323 | T | 36.7 | Very low | 36.8 | Very low | 131 Ų | 131 | 128.9 Ų | 128.9 | 80% | 0.804 | 82% | 0.82 | S | S | * | * | | | trans | -71.7 | 143.7 | -169.6 | 46.8 | 0 | 0 | 0 | 0 | 114.8 | | |
| 324 | G | 37.5 | Very low | 36 | Very low | 80 Ų | 80 | 132 Ų | 132 | 83% | 0.825 | 82% | 0.82 | S | S | * | * | | | trans | -147.5 | 93.8 | 170.7 | 0 | 0 | 0 | 0 | 0 | 112.4 | | |
| 325 | L | 39.5 | Very low | 35.8 | Very low | 189 Ų | 189 | 136.3 Ų | 136.3 | 99% | 0.99 | 82% | 0.822 | S | S | * | * | | | trans | -45.5 | 135.4 | -175.1 | -65.9 | 153.8 | 0 | 0 | 0 | 116 | | |
| 326 | G | 38.5 | Very low | 35.8 | Very low | 83 Ų | 83 | 136.9 Ų | 136.9 | 86% | 0.856 | 81% | 0.813 | S | S | * | * | | | trans | 165.9 | 85.9 | 167.7 | 0 | 0 | 0 | 0 | 0 | 115.8 | | |
| 327 | N | 34.5 | Very low | 36.1 | Very low | 153 Ų | 153 | 132.7 Ų | 132.7 | 82% | 0.818 | 81% | 0.807 | S | S | * | * | | | trans | -116.3 | 156.9 | 172.2 | -144 | -7.9 | 0 | 0 | 0 | 107.7 | | |
| 328 | P | 44.6 | Very low | 36.1 | Very low | 103 Ų | 103 | 127.9 Ų | 127.9 | 67% | 0.669 | 80% | 0.8 | S | S | * | * | | | | -151.7 | 157 | 68.4 | 40.5 | -20.7 | 0 | 0 | 0 | 118.7 | | |
| 329 | T | 37.9 | Very low | 36.3 | Very low | 132 Ų | 132 | 128.1 Ų | 128.1 | 81% | 0.81 | 80% | 0.803 | S | S | * | * | | | trans | 62.2 | 133 | 143 | 51.5 | 0 | 0 | 0 | 0 | 121.9 | | |
| 330 | G | 37.1 | Very low | 36 | Very low | 76 Ų | 76 | 128.6 Ų | 128.6 | 78% | 0.784 | 80% | 0.799 | S | S | * | * | | | trans | 168.1 | 34.6 | 170.4 | 0 | 0 | 0 | 0 | 0 | 118.5 | | |
| 331 | T | 32.7 | Very low | 35.9 | Very low | 110 Ų | 110 | 133.2 Ų | 133.2 | 68% | 0.675 | 80% | 0.804 | S | S | * | * | | | trans | -35.1 | 129.6 | 167.8 | 51.3 | 0 | 0 | 0 | 0 | 113.5 | | |
| 332 | F | 32.3 | Very low | 35.9 | Very low | 183 Ų | 183 | 134.6 Ų | 134.6 | 80% | 0.803 | 81% | 0.806 | S | S | * | * | | | | -174.2 | 171 | 62.7 | -78.7 | -69.9 | 0 | 0 | 0 | 108.6 | | |
| 333 | S | 32.7 | Very low | 35.8 | Very low | 105 Ų | 105 | 131.3 Ų | 131.3 | 73% | 0.734 | 80% | 0.803 | S | S | * | * | | | cis | -159.4 | 178.6 | -3.6 | -122.2 | 0 | 0 | 0 | 0 | 110.3 | | |
| 334 | F | 27.3 | Very low | 35.8 | Very low | 204 Ų | 204 | 130.5 Ų | 130.5 | 90% | 0.895 | 80% | 0.803 | S | S | * | * | | | trans | -98.5 | 152.8 | 168.3 | -77.3 | -105.3 | 0 | 0 | 0 | 112.4 | | |
| 335 | L | 33.5 | Very low | 35.6 | Very low | 176 Ų | 176 | 131.5 Ų | 131.5 | 92% | 0.921 | 80% | 0.797 | S | S | * | * | | | trans | -162 | 128.9 | 139.4 | -109.7 | 168.4 | 0 | 0 | 0 | 110.9 | | |
| 336 | S | 34.4 | Very low | 35.2 | Very low | 92 Ų | 92 | 129.7 Ų | 129.7 | 64% | 0.643 | 79% | 0.789 | S | S | * | * | | | trans | -110 | 161.3 | 163.3 | -168.5 | 0 | 0 | 0 | 0 | 107.6 | | |
| 337 | P | 38.5 | Very low | 34.8 | Very low | 119 Ų | 119 | 130.3 Ų | 130.3 | 77% | 0.773 | 79% | 0.786 | S | S | * | * | | | | -150.1 | 164.6 | 99.5 | 38.3 | -21.9 | 0 | 0 | 0 | 116.2 | | |
| 338 | V | 35.1 | Very low | 34.8 | Very low | 118 Ų | 118 | 132.3 Ų | 132.3 | 72% | 0.715 | 79% | 0.79 | S | S | * | * | P | Polyproline II helix | trans | -97.5 | 137.9 | 160.8 | 174.9 | 0 | 0 | 0 | 0 | 109.3 | | |
| 339 | P | 47.1 | Very low | 34.1 | Very low | 118 Ų | 118 | 131.9 Ų | 131.9 | 77% | 0.766 | 80% | 0.796 | S | S | * | * | P | Polyproline II helix | trans | -99.5 | 117.1 | 162.9 | 33.5 | -25.9 | 0 | 0 | 0 | 111.6 | | |
| 340 | N | 32.5 | Very low | 34 | Very low | 143 Ų | 143 | 132.4 Ų | 132.4 | 77% | 0.765 | 80% | 0.799 | S | S | * | * | P | Polyproline II helix | trans | -77.1 | 145.4 | 161.1 | -78.3 | -40.7 | 0 | 0 | 0 | 109.8 | | |
| 341 | L | 35.5 | Very low | 33.6 | Very low | 174 Ų | 174 | 136 Ų | 136 | 91% | 0.911 | 80% | 0.8 | S | S | * | * | | | trans | -134.6 | 132.7 | 155.9 | -78.8 | 179.1 | 0 | 0 | 0 | 110.8 | | |
| 342 | L | 30.1 | Very low | 33.6 | Very low | 166 Ų | 166 | 138.8 Ų | 138.8 | 87% | 0.869 | 81% | 0.809 | S | S | * | * | | | trans | -81.7 | 145.9 | 177.2 | -81.2 | 57 | 0 | 0 | 0 | 110.6 | | |
| 343 | A | 34.7 | Very low | 33.6 | Very low | 102 Ų | 102 | 134.5 Ų | 134.5 | 84% | 0.843 | 80% | 0.802 | S | S | * | * | | | trans | -155.9 | 139.9 | 143.5 | 0 | 0 | 0 | 0 | 0 | 112.8 | | |
| 344 | S | 34.8 | Very low | 33.5 | Very low | 115 Ų | 115 | 137.1 Ų | 137.1 | 80% | 0.804 | 81% | 0.806 | S | S | * | * | | | trans | -37.5 | 166.3 | 160.5 | -60.2 | 0 | 0 | 0 | 0 | 117.3 | | |
| 345 | S | 35.1 | Very low | 33.8 | Very low | 100 Ų | 100 | 131.3 Ų | 131.3 | 70% | 0.699 | 80% | 0.803 | S | S | * | * | | | cis | -174.6 | 153.1 | -16.5 | 50.5 | 0 | 0 | 0 | 0 | 111.4 | | |
| 346 | N | 29.7 | Very low | 33.9 | Very low | 152 Ų | 152 | 128 Ų | 128 | 81% | 0.813 | 80% | 0.796 | S | S | * | * | | | trans | 5.2 | 138.7 | 151.5 | -50.2 | -7.3 | 0 | 0 | 0 | 121.5 | | |
| 347 | A | 30.6 | Very low | 34 | Very low | 96 Ų | 96 | 129.2 Ų | 129.2 | 79% | 0.793 | 80% | 0.804 | S | S | * | * | | | trans | 67.8 | 159.1 | 154.7 | 0 | 0 | 0 | 0 | 0 | 116.3 | | |
| 348 | E | 33.8 | Very low | 33.8 | Very low | 194 Ų | 194 | 133 Ų | 133 | 91% | 0.907 | 81% | 0.808 | S | S | * | * | | | cis | -133.4 | -176.8 | 16.4 | -65.6 | 177.4 | 122 | 0 | 0 | 112.6 | | |
| 349 | A | 29.7 | Very low | 33.8 | Very low | 95 Ų | 95 | 131.5 Ų | 131.5 | 79% | 0.785 | 81% | 0.808 | S | S | * | * | | | trans | -117.8 | 143.5 | 175.2 | 0 | 0 | 0 | 0 | 0 | 111.7 | | |
| 350 | T | 36.8 | Very low | 33.3 | Very low | 142 Ų | 142 | 134.1 Ų | 134.1 | 87% | 0.871 | 81% | 0.81 | S | S | * | * | | | trans | -153.5 | 159.8 | 163.3 | 9.9 | 0 | 0 | 0 | 0 | 112.2 | | |
| 351 | N | 28.2 | Very low | 33.4 | Very low | 153 Ų | 153 | 133.5 Ų | 133.5 | 82% | 0.818 | 81% | 0.812 | S | S | * | * | | | trans | -86.7 | -163.2 | -178.7 | -65.5 | -69.9 | 0 | 0 | 0 | 112.4 | | |
| 352 | I | 33.7 | Very low | 33.3 | Very low | 167 Ų | 167 | 130 Ų | 130 | 86% | 0.856 | 80% | 0.802 | S | S | * | * | | | trans | 93.5 | 137.3 | 166.9 | -54.2 | 162.2 | 0 | 0 | 0 | 114 | | |
| 353 | S | 30.7 | Very low | 33.5 | Very low | 94 Ų | 94 | 127.8 Ų | 127.8 | 66% | 0.657 | 80% | 0.795 | S | S | * | * | | | cis | -166.4 | 161.2 | -28.7 | -166.4 | 0 | 0 | 0 | 0 | 110.7 | | |
| 354 | I | 31 | Very low | 33.5 | Very low | 159 Ų | 159 | 128.9 Ų | 128.9 | 82% | 0.815 | 79% | 0.791 | S | S | * | * | | | trans | -2.1 | 132 | 156.5 | -57.8 | 161.3 | 0 | 0 | 0 | 117.9 | | |
| 355 | G | 34.7 | Very low | 33.4 | Very low | 82 Ų | 82 | 127 Ų | 127 | 85% | 0.845 | 78% | 0.782 | S | S | * | * | | | trans | -163.8 | 121.8 | 160.5 | 0 | 0 | 0 | 0 | 0 | 112.8 | | |
| 356 | S | 34.8 | Very low | 33.2 | Very low | 108 Ų | 108 | 129 Ų | 129 | 76% | 0.755 | 79% | 0.786 | S | S | * | * | | | trans | -143.8 | 129.1 | -170.7 | 60.1 | 0 | 0 | 0 | 0 | 114.7 | | |
| 357 | S | 36.9 | Very low | 33.4 | Very low | 116 Ų | 116 | 127.1 Ų | 127.1 | 81% | 0.811 | 78% | 0.78 | S | S | * | * | | | trans | -161.2 | 138.8 | 158 | 48.6 | 0 | 0 | 0 | 0 | 108.7 | | |
| 358 | F | 33.7 | Very low | 33.4 | Very low | 199 Ų | 199 | 130.5 Ų | 130.5 | 87% | 0.873 | 78% | 0.781 | S | S | * | * | | | cis | 83.2 | 94.5 | 25.4 | -89 | -79.2 | 0 | 0 | 0 | 118 | | |
| 359 | A | 36.3 | Very low | 33.4 | Very low | 86 Ų | 86 | 126.7 Ų | 126.7 | 71% | 0.711 | 77% | 0.771 | S | S | * | * | | | trans | -166.2 | 127.9 | 142.9 | 0 | 0 | 0 | 0 | 0 | 106.5 | | |
| 360 | Q | 36.4 | Very low | 33.4 | Very low | 173 Ų | 173 | 130.5 Ų | 130.5 | 81% | 0.808 | 77% | 0.77 | S | S | * | * | | | | 63.3 | 133 | 62.4 | -63.5 | -177 | -6.5 | 0 | 0 | 112.5 | | |
| 361 | T | 33.6 | Very low | 33.2 | Very low | 131 Ų | 131 | 132 Ų | 132 | 80% | 0.804 | 77% | 0.767 | S | S | * | * | | | cis | -160.4 | 176.9 | -4 | 3.8 | 0 | 0 | 0 | 0 | 107.5 | | |
| 362 | S | 34.6 | Very low | 33.3 | Very low | 100 Ų | 100 | 131.7 Ų | 131.7 | 70% | 0.699 | 76% | 0.761 | S | S | * | * | | | cis | -138.6 | -164.7 | 7.3 | 51.1 | 0 | 0 | 0 | 0 | 109.6 | | |
| 363 | V | 32.9 | Very low | 33.3 | Very low | 120 Ų | 120 | 132.5 Ų | 132.5 | 73% | 0.727 | 76% | 0.76 | S | S | * | * | | | cis | 66.5 | 132.7 | 27.1 | -138.4 | 0 | 0 | 0 | 0 | 114.3 | | |
| 364 | T | 34.4 | Very low | 33.1 | Very low | 124 Ų | 124 | 136.5 Ų | 136.5 | 76% | 0.761 | 77% | 0.771 | S | S | * | * | | | cis | -117.5 | 162.6 | 8.9 | 47.9 | 0 | 0 | 0 | 0 | 112.1 | | |
| 365 | A | 32.6 | Very low | 33 | Very low | 75 Ų | 75 | 134.2 Ų | 134.2 | 62% | 0.62 | 77% | 0.767 | S | S | * | * | | | cis | 82 | 88.7 | 5.8 | 0 | 0 | 0 | 0 | 0 | 118.7 | | |
| 366 | D | 32.4 | Very low | 32.7 | Very low | 143 Ų | 143 | 138.7 Ų | 138.7 | 77% | 0.765 | 76% | 0.764 | S | S | * | * | | | trans | -166.1 | 133.7 | 149.8 | -98.2 | -36 | 0 | 0 | 0 | 107.2 | | |
| 367 | T | 32.8 | Very low | 32.3 | Very low | 112 Ų | 112 | 138.5 Ų | 138.5 | 69% | 0.687 | 76% | 0.759 | S | S | * | * | | | cis | 70.2 | 131.2 | 26.2 | 95 | 0 | 0 | 0 | 0 | 112.9 | | |
| 368 | M | 31.1 | Very low | 32 | Very low | 167 Ų | 167 | 139.7 Ų | 139.7 | 82% | 0.823 | 76% | 0.756 | S | S | * | * | | | cis | -157.9 | 178.2 | 37.7 | -102.1 | -159 | 177.2 | 0 | 0 | 113 | | |
| 369 | V | 33.4 | Very low | 31.6 | Very low | 115 Ų | 115 | 136.9 Ų | 136.9 | 70% | 0.697 | 76% | 0.755 | S | S | * | * | | | trans | 58.6 | 116.5 | 152.2 | 167.4 | 0 | 0 | 0 | 0 | 116.8 | | |
| 370 | K | 31.4 | Very low | 31.4 | Very low | 174 Ų | 174 | 138.7 Ų | 138.7 | 76% | 0.757 | 76% | 0.757 | S | S | * | * | | | cis | 69.4 | 83.4 | 23.9 | -156.4 | -154.4 | 177 | -162.7 | 0 | 116.1 | E372 | K370-E372 IonicContact NZ-OE1 3.56Š|
| 371 | Q | 32.1 | Very low | 31 | Very low | 174 Ų | 174 | 136.8 Ų | 136.8 | 81% | 0.813 | 76% | 0.757 | S | S | * | * | | | trans | -140.1 | 150.5 | 156.6 | -155.9 | 159 | -3.3 | 0 | 0 | 111 | | |
| 372 | E | 29.3 | Very low | 31.1 | Very low | 147 Ų | 147 | 136.2 Ų | 136.2 | 69% | 0.687 | 75% | 0.753 | S | S | * | * | | | trans | -109.8 | 128.8 | -166.8 | -64.5 | 158.7 | 179.3 | 0 | 0 | 110.1 | K370 | K370-E372 IonicContact NZ-OE1 3.56Š|
| 373 | H | 33.6 | Very low | 31 | Very low | 183 Ų | 183 | 138.5 Ų | 138.5 | 85% | 0.847 | 76% | 0.758 | S | S | * | * | | | trans | -143.4 | 108.1 | 163.3 | -87 | -74.3 | 0 | 0 | 0 | 111.1 | | |
| 374 | M | 26.9 | Very low | 30.7 | Very low | 179 Ų | 179 | 140.9 Ų | 140.9 | 88% | 0.882 | 77% | 0.766 | S | S | * | * | | | trans | -80.9 | 134.5 | 154.9 | -69.2 | 163.7 | 49.3 | 0 | 0 | 108.3 | | |
| 375 | C | 28.5 | Very low | 30.7 | Very low | 110 Ų | 110 | 138.6 Ų | 138.6 | 74% | 0.743 | 77% | 0.767 | S | S | * | * | | | trans | 179.4 | 146.4 | 143 | -103.2 | 0 | 0 | 0 | 0 | 111.3 | | |
| 376 | F | 28.6 | Very low | 30.6 | Very low | 176 Ų | 176 | 142.3 Ų | 142.3 | 77% | 0.772 | 78% | 0.776 | S | S | * | * | | | trans | 51.3 | 120.2 | 146.2 | -77.4 | -109.1 | 0 | 0 | 0 | 119.4 | | |
| 377 | T | 26.4 | Very low | 30.7 | Very low | 105 Ų | 105 | 142.9 Ų | 142.9 | 64% | 0.644 | 78% | 0.778 | S | S | * | * | | | | 53.9 | 126 | 103.9 | 81.4 | 0 | 0 | 0 | 0 | 113.4 | | |
| 378 | D | 32 | Very low | 30.4 | Very low | 140 Ų | 140 | 144 Ų | 144 | 75% | 0.749 | 78% | 0.779 | S | S | * | * | | | | -154.2 | 160 | 68 | -76.3 | -27.2 | 0 | 0 | 0 | 113.9 | | |
| 379 | T | 24.9 | Very low | 30.6 | Very low | 141 Ų | 141 | 141.7 Ų | 141.7 | 87% | 0.865 | 78% | 0.775 | S | S | * | * | | | trans | -89.1 | 115 | 164.8 | 49.2 | 0 | 0 | 0 | 0 | 110 | | |
| 380 | V | 32.5 | Very low | 30.5 | Very low | 124 Ų | 124 | 141.9 Ų | 141.9 | 75% | 0.752 | 78% | 0.777 | S | S | * | * | | | trans | -115 | 113.6 | 168.6 | -176.9 | 0 | 0 | 0 | 0 | 109.2 | V382 | V380-V382 HydrophobicContact CG1-CG2 4.13Š|
| 381 | T | 26.7 | Very low | 30.6 | Very low | 132 Ų | 132 | 142.5 Ų | 142.5 | 81% | 0.81 | 78% | 0.782 | S | S | * | * | | | trans | -84.9 | 133.8 | 170.1 | 48.2 | 0 | 0 | 0 | 0 | 110 | | |
| 382 | V | 35.7 | Very low | 30.8 | Very low | 119 Ų | 119 | 143 Ų | 143 | 72% | 0.721 | 78% | 0.781 | S | S | * | * | | | trans | -136 | 97.7 | 165.4 | -168.5 | 0 | 0 | 0 | 0 | 110.1 | V380 | V380-V382 HydrophobicContact CG1-CG2 4.13Š|
| 383 | D | 32.5 | Very low | 30.7 | Very low | 148 Ų | 148 | 141 Ų | 141 | 79% | 0.791 | 78% | 0.784 | S | S | * | * | | | trans | 41.8 | 115.8 | 146.5 | -51.5 | -37.7 | 0 | 0 | 0 | 121.9 | | |
| 384 | D | 28.1 | Very low | 30.7 | Very low | 170 Ų | 170 | 138.9 Ų | 138.9 | 91% | 0.909 | 78% | 0.783 | S | S | * | * | | | trans | -65.6 | 129.9 | 156.5 | -81.1 | -63.1 | 0 | 0 | 0 | 111.6 | | |
| 385 | G | 33.4 | Very low | 30.9 | Very low | 76 Ų | 76 | 137.2 Ų | 137.2 | 78% | 0.784 | 78% | 0.776 | S | S | * | * | | | trans | -124.1 | 65.1 | -179.1 | 0 | 0 | 0 | 0 | 0 | 113.7 | I387 | G385-I387 PolarHBondContact O-N 2.81Š|
| 386 | L | 31.1 | Very low | 31.1 | Very low | 154 Ų | 154 | 139.5 Ų | 139.5 | 81% | 0.806 | 78% | 0.781 | S | S | * | * | | | trans | -71.6 | 119.5 | -171 | -157.8 | 89.4 | 0 | 0 | 0 | 113.6 | | |
| 387 | I | 33.1 | Very low | 31.5 | Very low | 155 Ų | 155 | 136.5 Ų | 136.5 | 80% | 0.795 | 77% | 0.773 | S | S | * | * | | | trans | -129.6 | 117.7 | 160.1 | -52.4 | -179.7 | 0 | 0 | 0 | 108.8 | G385 | G385-I387 PolarHBondContact O-N 2.81Š|
| 388 | N | 28 | Very low | 32.4 | Very low | 135 Ų | 135 | 136.7 Ų | 136.7 | 72% | 0.722 | 78% | 0.776 | S | S | * | * | | | trans | -131.6 | 103.3 | -171.6 | -154.3 | -4.6 | 0 | 0 | 0 | 110 | | |
| 389 | T | 35.6 | Very low | 33 | Very low | 119 Ų | 119 | 136.2 Ų | 136.2 | 73% | 0.73 | 78% | 0.781 | S | S | * | * | | | trans | -128.8 | 73.3 | -175.8 | 45.4 | 0 | 0 | 0 | 0 | 113 | | |
| 390 | T | 30.6 | Very low | 33.4 | Very low | 119 Ų | 119 | 137.3 Ų | 137.3 | 73% | 0.73 | 78% | 0.776 | S | S | * | * | | | trans | 30.4 | 103.1 | 136.5 | 57.5 | 0 | 0 | 0 | 0 | 119.3 | | |
| 391 | H | 33.2 | Very low | 33.4 | Very low | 186 Ų | 186 | 136.2 Ų | 136.2 | 86% | 0.861 | 77% | 0.773 | S | S | * | * | | | trans | -148.3 | 93.2 | 142.4 | -117 | -95 | 0 | 0 | 0 | 109.3 | | |
| 392 | K | 35.3 | Very low | 33.9 | Very low | 184 Ų | 184 | 133.9 Ų | 133.9 | 80% | 0.8 | 77% | 0.767 | S | S | * | * | | | | 63.9 | 94.4 | 99.2 | -113.1 | -177.1 | -178.8 | 179.5 | 0 | 115.7 | | |
| 393 | S | 28.8 | Very low | 34.1 | Very low | 107 Ų | 107 | 133.2 Ų | 133.2 | 75% | 0.748 | 77% | 0.765 | S | S | * | * | | | trans | 49.3 | 106.1 | 140.2 | 60.6 | 0 | 0 | 0 | 0 | 120.8 | | |
| 394 | V | 33.1 | Very low | 34.2 | Very low | 138 Ų | 138 | 133.8 Ų | 133.8 | 84% | 0.836 | 77% | 0.768 | S | S | * | * | | | trans | -139.8 | 151.1 | 132.3 | -177.8 | 0 | 0 | 0 | 0 | 108.9 | | |
| 395 | I | 30.6 | Very low | 34.5 | Very low | 143 Ų | 143 | 131 Ų | 131 | 73% | 0.733 | 76% | 0.757 | S | S | * | * | | | trans | -60.2 | 146.9 | 174.4 | -60.6 | 148.1 | 0 | 0 | 0 | 110.9 | | |
| 396 | N | 34 | Very low | 34.4 | Very low | 158 Ų | 158 | 133.4 Ų | 133.4 | 85% | 0.845 | 76% | 0.757 | S | S | * | * | | | trans | -144.2 | 136.2 | 160.2 | -90.8 | -59.2 | 0 | 0 | 0 | 112 | | |
| 397 | N | 36.6 | Very low | 34.4 | Very low | 113 Ų | 113 | 131.5 Ų | 131.5 | 60% | 0.604 | 75% | 0.752 | S | S | * | * | | | trans | -79.5 | 167.5 | 176.5 | -74.5 | -30.9 | 0 | 0 | 0 | 111.4 | | |
| 398 | P | 44.9 | Very low | 34.4 | Very low | 110 Ų | 110 | 129.4 Ų | 129.4 | 71% | 0.714 | 75% | 0.746 | S | S | * | * | S | Bend | trans | -55.2 | 148.5 | 157.2 | 27.5 | -36.1 | 0 | 0 | 0 | 109.9 | E400 | P398-E400 PolarHBondContact O-N 3.16Š|
| 399 | P | 44.8 | Very low | 34.6 | Very low | 129 Ų | 129 | 128.2 Ų | 128.2 | 84% | 0.838 | 74% | 0.744 | S | S | * | * | | | trans | -62.9 | 113.1 | -169.1 | 24.3 | -34.3 | 0 | 0 | 0 | 111.9 | C401 | P399-C401 PolarHBondContact O-N 2.83Š|
| 400 | E | 32.9 | Very low | 34.6 | Very low | 164 Ų | 164 | 131.1 Ų | 131.1 | 77% | 0.766 | 75% | 0.749 | S | S | * | * | | | trans | -67.9 | 125.7 | 168.1 | -74.3 | -178.6 | 94.8 | 0 | 0 | 109.4 | P398 A402 | P398-E400 PolarHBondContact O-N 3.16Å; E400-A402 VanDerWaalsContact C-N 3.29Å; E400-A402 PolarHBondContact O-N 3.19Å |
| 401 | C | 33.3 | Very low | 34.6 | Very low | 102 Ų | 102 | 132.4 Ų | 132.4 | 69% | 0.689 | 75% | 0.751 | S | S | * | * | | | trans | -68 | 92.9 | 163.2 | -60.4 | 0 | 0 | 0 | 0 | 107.9 | P399 | P399-C401 PolarHBondContact O-N 2.83Š|
| 402 | A | 35.5 | Very low | 34.7 | Very low | 82 Ų | 82 | 130.6 Ų | 130.6 | 68% | 0.678 | 75% | 0.748 | S | S | * | * | | | trans | -55.1 | 135.9 | 174.6 | 0 | 0 | 0 | 0 | 0 | 110.6 | E400 D404 | E400-A402 VanDerWaalsContact C-N 3.29Å; E400-A402 PolarHBondContact O-N 3.19Å; A402-D404 PolarHBondContact O-N 3.3Å |
| 403 | P | 40.2 | Very low | 34.8 | Very low | 106 Ų | 106 | 128.5 Ų | 128.5 | 69% | 0.688 | 75% | 0.75 | S | S | * | * | | | trans | -90 | 101 | 176.1 | 34.1 | -30.8 | 0 | 0 | 0 | 110.3 | T405 | P403-T405 HydrophobicContact CB-CG2 4.33Å; P403-T405 PolarHBondContact O-N 3.2Å |
| 404 | D | 34.4 | Very low | 35.1 | Very low | 160 Ų | 160 | 126.7 Ų | 126.7 | 86% | 0.856 | 75% | 0.749 | S | S | * | * | | | trans | -70.4 | 83.1 | 166.5 | -79.5 | -36.7 | 0 | 0 | 0 | 110 | A402 T406 | A402-D404 PolarHBondContact O-N 3.3Å; D404-T406 PolarHBondContact O-N 2.96Å; D404-T406 VanDerWaalsContact O-N 3.14Å |
| 405 | T | 34.7 | Very low | 34.8 | Very low | 111 Ų | 111 | 127.8 Ų | 127.8 | 68% | 0.681 | 75% | 0.75 | S | S | * | * | | | trans | -82.8 | 78.1 | 174.3 | 52.3 | 0 | 0 | 0 | 0 | 110.8 | P403 V407 | P403-T405 HydrophobicContact CB-CG2 4.33Å; P403-T405 PolarHBondContact O-N 3.2Å; T405-V407 PolarHBondContact O-N 2.77Å |
| 406 | T | 31.6 | Very low | 34.8 | Very low | 127 Ų | 127 | 125.5 Ų | 125.5 | 78% | 0.779 | 75% | 0.747 | S | S | * | * | | | trans | -72.6 | 79.7 | 158.8 | 55 | 0 | 0 | 0 | 0 | 109.1 | D404 V408 | D404-T406 PolarHBondContact O-N 2.96Å; D404-T406 VanDerWaalsContact O-N 3.14Å; T406-V408 PolarHBondContact O-N 2.75Å; T406-V408 VanDerWaalsContact O-N 3.15Å |
| 407 | V | 31.1 | Very low | 34.7 | Very low | 114 Ų | 114 | 125 Ų | 125 | 69% | 0.691 | 74% | 0.739 | S | S | * | * | | | trans | -73 | 101.1 | 167.4 | -178.9 | 0 | 0 | 0 | 0 | 107.3 | T405 T409 | T405-V407 PolarHBondContact O-N 2.77Å; V407-T409 HydrophobicContact CG1-CG2 4.2Å; V407-T409 PolarHBondContact O-N 2.81Å |
| 408 | V | 33.1 | Very low | 34.3 | Very low | 111 Ų | 111 | 129 Ų | 129 | 67% | 0.673 | 75% | 0.747 | S | S | * | * | | | trans | -86.1 | 102.9 | 168.6 | 178.1 | 0 | 0 | 0 | 0 | 107.8 | T406 E410 | T406-V408 PolarHBondContact O-N 2.75Å; T406-V408 VanDerWaalsContact O-N 3.15Å; V408-E410 HydrophobicContact CG1-CG 3.95Å |
| 409 | T | 32 | Very low | 33.8 | Very low | 110 Ų | 110 | 130.7 Ų | 130.7 | 68% | 0.675 | 75% | 0.75 | S | S | * | * | | | trans | -86.4 | 115.1 | 161.2 | 46.9 | 0 | 0 | 0 | 0 | 108.5 | V407 | V407-T409 HydrophobicContact CG1-CG2 4.2Å; V407-T409 PolarHBondContact O-N 2.81Å |
| 410 | E | 35.3 | Very low | 33 | Very low | 179 Ų | 179 | 128.8 Ų | 128.8 | 84% | 0.836 | 74% | 0.739 | S | S | * | * | | | trans | -108.3 | 79 | 165.1 | -78.5 | -177.8 | -175.6 | 0 | 0 | 109.2 | V408 | V408-E410 HydrophobicContact CG1-CG 3.95Š|
| 411 | D | 32.2 | Very low | 33.1 | Very low | 146 Ų | 146 | 130 Ų | 130 | 78% | 0.781 | 74% | 0.742 | S | S | * | * | | | trans | -83.7 | 108.7 | 148.2 | -71.1 | -57.5 | 0 | 0 | 0 | 106.7 | | |
| 412 | D | 34.9 | Very low | 33.2 | Very low | 149 Ų | 149 | 130.7 Ų | 130.7 | 80% | 0.797 | 75% | 0.748 | S | S | * | * | | | | 179.6 | 140.6 | 129.6 | -102 | -27.3 | 0 | 0 | 0 | 114.6 | | |
| 413 | V | 37.2 | Very low | 33 | Very low | 139 Ų | 139 | 132.2 Ų | 132.2 | 84% | 0.842 | 75% | 0.749 | S | S | * | * | | | trans | 30 | 121 | 141.9 | -174.4 | 0 | 0 | 0 | 0 | 119.8 | | |
| 414 | G | 34.1 | Very low | 32.7 | Very low | 70 Ų | 70 | 134.4 Ų | 134.4 | 72% | 0.722 | 75% | 0.754 | S | S | * | * | | | trans | 161.8 | 101.7 | 150 | 0 | 0 | 0 | 0 | 0 | 116.8 | | |
| 415 | N | 28.1 | Very low | 32.8 | Very low | 161 Ų | 161 | 136.2 Ų | 136.2 | 86% | 0.861 | 75% | 0.754 | S | S | * | * | | | trans | -74.3 | 166.5 | 159.5 | -78 | -18.8 | 0 | 0 | 0 | 110.8 | | |
| 416 | S | 30 | Very low | 32.8 | Very low | 95 Ų | 95 | 133.9 Ų | 133.9 | 66% | 0.664 | 75% | 0.752 | S | S | * | * | | | trans | 72.9 | 148.9 | 160.3 | -72.4 | 0 | 0 | 0 | 0 | 117.8 | | |
| 417 | E | 31.8 | Very low | 33 | Very low | 148 Ų | 148 | 134.8 Ų | 134.8 | 69% | 0.692 | 76% | 0.758 | S | S | * | * | | | cis | -159.3 | 137 | -15.5 | -117.1 | 165.7 | 120.4 | 0 | 0 | 111.1 | | |
| 418 | Y | 29.1 | Very low | 33.1 | Very low | 196 Ų | 196 | 132.3 Ų | 132.3 | 77% | 0.769 | 76% | 0.755 | S | S | * | * | | | trans | 71 | 160.7 | 139.6 | -87.2 | -136.2 | 0 | 0 | 0 | 123 | | |
| 419 | L | 32.6 | Very low | 33.3 | Very low | 146 Ų | 146 | 131 Ų | 131 | 76% | 0.764 | 75% | 0.747 | S | S | * | * | | | trans | 55.3 | 100.3 | 155.3 | -66.7 | 161.1 | 0 | 0 | 0 | 118.5 | | |
| 420 | S | 29.3 | Very low | 33.3 | Very low | 88 Ų | 88 | 128.9 Ų | 128.9 | 62% | 0.615 | 74% | 0.737 | S | S | * | * | | | | 88.5 | 123.2 | 56.2 | -75.3 | 0 | 0 | 0 | 0 | 116.8 | | |
| 421 | K | 35.3 | Very low | 33.5 | Very low | 190 Ų | 190 | 127 Ų | 127 | 83% | 0.826 | 72% | 0.723 | S | S | * | * | | | trans | 56.9 | 112.1 | 137.7 | -57.2 | 167.1 | -174 | 169.5 | 0 | 118.5 | | |
| 422 | S | 34.5 | Very low | 33.6 | Very low | 116 Ų | 116 | 130.7 Ų | 130.7 | 81% | 0.811 | 73% | 0.725 | S | S | * | * | | | | 169.9 | 165.3 | 111 | 47.2 | 0 | 0 | 0 | 0 | 112 | | |
| 423 | T | 31.8 | Very low | 33.6 | Very low | 115 Ų | 115 | 135.2 Ų | 135.2 | 71% | 0.706 | 73% | 0.731 | S | S | * | * | | | cis | -168 | 162.1 | -33.9 | -79.5 | 0 | 0 | 0 | 0 | 106.3 | | |
| 424 | L | 34.4 | Very low | 33.5 | Very low | 152 Ų | 152 | 138 Ų | 138 | 80% | 0.796 | 73% | 0.732 | S | S | * | * | | | trans | 75.1 | 154.1 | 177.7 | -61.8 | 114.7 | 0 | 0 | 0 | 116.5 | | |
| 425 | K | 35.7 | Very low | 33.4 | Very low | 198 Ų | 198 | 139.6 Ų | 139.6 | 86% | 0.861 | 73% | 0.732 | S | S | * | * | | | cis | -173.4 | 147.2 | -44.8 | -120 | 177.1 | 177.6 | -178.8 | 0 | 108.5 | | |
| 426 | G | 33.9 | Very low | 34 | Very low | 62 Ų | 62 | 137.9 Ų | 137.9 | 64% | 0.639 | 73% | 0.728 | S | S | * | * | | | trans | 114.9 | 85.5 | 170.8 | 0 | 0 | 0 | 0 | 0 | 113.5 | | |
| 427 | T | 36.2 | Very low | 34.4 | Very low | 145 Ų | 145 | 137.9 Ų | 137.9 | 89% | 0.89 | 72% | 0.724 | S | S | * | * | | | | 67.4 | 98.9 | 81.4 | 66.1 | 0 | 0 | 0 | 0 | 114.8 | | |
| 428 | G | 33.6 | Very low | 34.4 | Very low | 62 Ų | 62 | 142.9 Ų | 142.9 | 64% | 0.639 | 74% | 0.736 | S | S | * | * | | | trans | 152.4 | 56.1 | 177.7 | 0 | 0 | 0 | 0 | 0 | 116.8 | | |
| 429 | V | 37.8 | Very low | 34.7 | Very low | 84 Ų | 84 | 139.3 Ų | 139.3 | 51% | 0.509 | 73% | 0.73 | S | S | . | * | | | | 89.7 | 146.7 | 63.1 | 171.5 | 0 | 0 | 0 | 0 | 111.8 | A63 D65 | A63-V429 HydrophobicContact CB-CG1 4.32Å; A63-V429 WeakPolarHBondContact O-CG1 3.14Å; D65-V429 CarbonylContact C-O 3.56Å; D65-V429 WeakPolarHBondContact CA-O 3.41Å; D65-V429 VanDerWaalsContact N-C 3.33Å; D65-V429 PolarHBondContact N-O 2.89Å |
| 430 | S | 32.6 | Very low | 34.9 | Very low | 66 Ų | 66 | 141.9 Ų | 141.9 | 46% | 0.462 | 74% | 0.736 | S | S | . | * | | | trans | -48.9 | -126.6 | -153.4 | -159.6 | 0 | 0 | 0 | 0 | 122.7 | A63 D65 F66 | A63-S430 WeakPolarHBondContact O-CB 2.98Å; A63-S430 PolarHBondContact O-N 3.13Å; D65-S430 VanDerWaalsContact CA-O 3.31Å; D65-S430 WeakPolarHBondContact CA-O 3.27Å; D65-S430 PolarHBondContact N-O 3.14Å; F66-S430 WeakPolarHBondContact CD2-O 3.3Å |
| 431 | R | 37.5 | Very low | 35.1 | Very low | 140 Ų | 140 | 142 Ų | 142 | 53% | 0.528 | 74% | 0.737 | S | S | . | * | | | cis | -90.3 | 169.7 | -3.9 | -90.3 | -171.1 | 168.3 | 109.2 | 11.5 | 118.9 | D64 D65 | D64-R431 HydrophobicContact CB-CB 4.21Å; D64-R431 HydrophobicContact CB-CG 3.1Å; D64-R431 VanDerWaalsContact CG-CG 3.5Å; D64-R431 IonicContact OD2-CZ 3.58Å; D64-R431 IonicContact OD2-NE 3.37Å; D64-R431 PolarHBondContact OD2-NE 3.16Å; D64-R431 IonicContact OD2-NH2 2.6Å; D64-R431 PolarHBondContact OD2-NH2 3.49Å; D65-R431 VanDerWaalsContact CG-CG 3.49Å; D65-R431 WeakPolarHBondContact OD1-CB 3.19Å; D65-R431 WeakPolarHBondContact OD1-CG 3.3Å; D65-R431 PolarHBondContact OD1-N 3.43Å; D65-R431 VanDerWaalsContact OD2-CD 3.25Å; D65-R431 WeakPolarHBondContact OD2-CD 3.25Å; D65-R431 IonicContact OD2-CZ 3.84Å; D65-R431 IonicContact OD2-NE 2.69Å; D65-R431 IonicContact OD2-NH1 2.76Å; D65-R431 PolarHBondContact OD2-NH1 3.42Å |
| 432 | R | 36 | Very low | 34.9 | Very low | 223 Ų | 223 | 144 Ų | 144 | 84% | 0.842 | 74% | 0.739 | S | S | * | * | | | trans | -55.8 | 142.9 | 158.6 | -76.6 | 174.3 | 162.9 | 179.2 | -3.5 | 115.1 | | |
| 433 | R | 33.8 | Very low | 34.9 | Very low | 243 Ų | 243 | 145.7 Ų | 145.7 | 92% | 0.917 | 74% | 0.737 | S | S | * | * | | | | -135.2 | 107 | 128.2 | -79.1 | -167 | 176 | 178 | -0.4 | 111.6 | | |
| 434 | K | 34.6 | Very low | 34.9 | Very low | 198 Ų | 198 | 146 Ų | 146 | 86% | 0.861 | 74% | 0.739 | S | S | * | * | | | trans | -101.6 | 156.4 | 150.1 | -93.1 | -175 | 175.3 | 179 | 0 | 107.6 | | |
| 435 | S | 32.4 | Very low | 35 | Very low | 104 Ų | 104 | 150 Ų | 150 | 73% | 0.727 | 74% | 0.743 | S | S | * | * | | | trans | 66.8 | 155.6 | -152.3 | 91.6 | 0 | 0 | 0 | 0 | 111.1 | | |
| 436 | T | 40.6 | Very low | 34.9 | Very low | 125 Ų | 125 | 143 Ų | 143 | 77% | 0.767 | 73% | 0.727 | S | S | * | * | | | cis | -97 | 160.4 | 25.8 | 55 | 0 | 0 | 0 | 0 | 116 | | |
| 437 | T | 39.5 | Very low | 34.9 | Very low | 94 Ų | 94 | 147.7 Ų | 147.7 | 58% | 0.577 | 73% | 0.732 | S | S | * | * | | | trans | -39.5 | 152 | 153.2 | 46.2 | 0 | 0 | 0 | 0 | 112.6 | N439 | T437-N439 PolarHBondContact O-N 2.97Š|
| 438 | R | 32 | Very low | 34.7 | Very low | 253 Ų | 253 | 151.2 Ų | 151.2 | 96% | 0.955 | 73% | 0.731 | S | S | * | * | | | trans | -74 | 60.2 | 160.4 | -165 | 178 | -170.9 | 169.9 | 5.2 | 109.4 | K440 | R438-K440 PolarHBondContact O-N 3.39Å; R438-K440 VanDerWaalsContact O-N 3.16Å |
| 439 | N | 34 | Very low | 34.8 | Very low | 121 Ų | 121 | 151.7 Ų | 151.7 | 65% | 0.647 | 74% | 0.736 | S | S | * | * | | | trans | -61.2 | 117.6 | -179.7 | -122.5 | 4.2 | 0 | 0 | 0 | 108 | T437 S441 | T437-N439 PolarHBondContact O-N 2.97Å; N439-S441 PolarHBondContact O-N 3.3Å |
| 440 | K | 36.8 | Very low | 34.7 | Very low | 201 Ų | 201 | 154.7 Ų | 154.7 | 87% | 0.874 | 75% | 0.754 | S | S | * | * | | | trans | -75.3 | 61.3 | 167.1 | -71.5 | -178.5 | 177.3 | 177.7 | 0 | 109.1 | R438 R442 | R438-K440 PolarHBondContact O-N 3.39Å; R438-K440 VanDerWaalsContact O-N 3.16Å; K440-R442 PolarHBondContact O-N 3.06Å |
| 441 | S | 35.3 | Very low | 34.7 | Very low | 91 Ų | 91 | 159.7 Ų | 159.7 | 64% | 0.636 | 77% | 0.77 | S | S | * | * | | | trans | -60.6 | 106 | 162.3 | -64.7 | 0 | 0 | 0 | 0 | 106.8 | N439 I443 | N439-S441 PolarHBondContact O-N 3.3Å; S441-I443 VanDerWaalsContact C-N 3.31Å; S441-I443 PolarHBondContact O-N 2.79Å |
| 442 | R | 30.4 | Very low | 34.8 | Very low | 230 Ų | 230 | 158.9 Ų | 158.9 | 87% | 0.868 | 79% | 0.786 | S | S | * | * | | | trans | -61.3 | 97.2 | 165.8 | -72.1 | 172.9 | 170.2 | 149.7 | -8.7 | 107.3 | K440 V444 | K440-R442 PolarHBondContact O-N 3.06Å; R442-V444 VanDerWaalsContact C-N 3.34Å; R442-V444 HydrophobicContact CB-CG2 4.32Å; R442-V444 PolarHBondContact O-N 3.23Å |
| 443 | I | 34.2 | Very low | 34.8 | Very low | 153 Ų | 153 | 156 Ų | 156 | 79% | 0.785 | 78% | 0.782 | S | S | * | * | | | trans | -75.4 | 103.9 | 144.2 | -64.3 | 179.3 | 0 | 0 | 0 | 104.3 | S441 R445 | S441-I443 VanDerWaalsContact C-N 3.31Å; S441-I443 PolarHBondContact O-N 2.79Å; I443-R445 VanDerWaalsContact C-N 3.27Å; I443-R445 PolarHBondContact O-N 2.99Å |
| 444 | V | 32 | Very low | 34.9 | Very low | 122 Ų | 122 | 151.7 Ų | 151.7 | 74% | 0.739 | 78% | 0.776 | S | S | * | * | | | trans | -68.4 | 94.9 | 165.8 | 177.7 | 0 | 0 | 0 | 0 | 105.6 | R442 G446 | R442-V444 VanDerWaalsContact C-N 3.34Å; R442-V444 HydrophobicContact CB-CG2 4.32Å; R442-V444 PolarHBondContact O-N 3.23Å; V444-G446 VanDerWaalsContact C-N 3.34Å; V444-G446 PolarHBondContact O-N 3.22Å |
| 445 | R | 35.7 | Very low | 35 | Very low | 235 Ų | 235 | 149 Ų | 149 | 89% | 0.887 | 77% | 0.766 | S | S | * | * | | | trans | -82.6 | 90.4 | 168.9 | -157 | 174.6 | -162.9 | -178.9 | 3.8 | 107 | I443 E447 | I443-R445 VanDerWaalsContact C-N 3.27Å; I443-R445 PolarHBondContact O-N 2.99Å; R445-E447 PolarHBondContact O-N 3.17Å |
| 446 | G | 34.2 | Very low | 35.6 | Very low | 51 Ų | 51 | 151.3 Ų | 151.3 | 53% | 0.526 | 77% | 0.768 | S | S | . | * | | | trans | -59.1 | 125.3 | 171.7 | 0 | 0 | 0 | 0 | 0 | 110.2 | V444 | V444-G446 VanDerWaalsContact C-N 3.34Å; V444-G446 PolarHBondContact O-N 3.22Å |
| 447 | E | 34.4 | Very low | 35.8 | Very low | 160 Ų | 160 | 152.5 Ų | 152.5 | 75% | 0.748 | 77% | 0.765 | S | S | * | * | S | Bend | | 34.1 | 109.4 | 108.8 | -79.3 | 173.4 | -168.9 | 0 | 0 | 117.5 | R445 | R445-E447 PolarHBondContact O-N 3.17Š|
| 448 | Y | 31.9 | Very low | 35.9 | Very low | 220 Ų | 220 | 151.9 Ų | 151.9 | 86% | 0.863 | 77% | 0.77 | S | S | * | * | | | trans | 73.1 | 149.4 | 157.4 | -43.8 | -66 | 0 | 0 | 0 | 119.3 | | |
| 449 | G | 35.2 | Very low | 36.1 | Very low | 72 Ų | 72 | 144 Ų | 144 | 74% | 0.742 | 77% | 0.767 | S | S | * | * | | | trans | 140.5 | 51 | 167.2 | 0 | 0 | 0 | 0 | 0 | 119.7 | | |
| 450 | V | 35.2 | Very low | 36.6 | Very low | 147 Ų | 147 | 146 Ų | 146 | 89% | 0.891 | 78% | 0.776 | S | S | * | * | | | trans | 34 | 150.5 | 145.8 | -169.1 | 0 | 0 | 0 | 0 | 122.2 | | |
| 451 | H | 32.5 | Very low | 36.9 | Very low | 170 Ų | 170 | 142.8 Ų | 142.8 | 79% | 0.787 | 77% | 0.773 | S | S | * | * | | | trans | -55.5 | 155.7 | 175.6 | -77.4 | -148.2 | 0 | 0 | 0 | 115.8 | | |
| 452 | S | 40.3 | Very low | 37 | Very low | 123 Ų | 123 | 143.7 Ų | 143.7 | 86% | 0.86 | 78% | 0.78 | S | S | * | * | | | trans | -137.3 | 155.1 | 134.2 | 52 | 0 | 0 | 0 | 0 | 108.6 | | |
| 453 | E | 35.2 | Very low | 37.6 | Very low | 162 Ų | 162 | 137.6 Ų | 137.6 | 76% | 0.757 | 77% | 0.772 | S | S | * | * | | | trans | -122 | 136.2 | -157.3 | -174.1 | 157.9 | -143.7 | 0 | 0 | 111.2 | | |
| 454 | I | 37.3 | Very low | 38.2 | Very low | 154 Ų | 154 | 138 Ų | 138 | 79% | 0.79 | 77% | 0.774 | S | S | * | * | | | trans | -137.9 | 107.6 | 170.5 | -59.7 | -178.4 | 0 | 0 | 0 | 107.3 | | |
| 455 | E | 36.8 | Very low | 38.7 | Very low | 141 Ų | 141 | 137.6 Ų | 137.6 | 66% | 0.659 | 77% | 0.774 | S | S | * | * | | | trans | -67.2 | 135 | 172.4 | -67.1 | 179.7 | 94.4 | 0 | 0 | 111.3 | Q457 | E455-Q457 PolarHBondContact OE1-NE2 3.09Š|
| 456 | I | 44.1 | Very low | 39.1 | Very low | 152 Ų | 152 | 134.7 Ų | 134.7 | 78% | 0.779 | 77% | 0.771 | S | S | * | * | | | trans | -137 | 92 | 158.8 | -58 | -178.8 | 0 | 0 | 0 | 107.2 | A458 | I456-A458 PolarHBondContact O-N 3.37Š|
| 457 | Q | 45 | Very low | 39.3 | Very low | 151 Ų | 151 | 143.9 Ų | 143.9 | 71% | 0.706 | 79% | 0.789 | S | S | * | * | | | trans | -64.6 | 100 | 174.8 | -84.5 | 76.8 | -4.4 | 0 | 0 | 111.5 | E455 | E455-Q457 PolarHBondContact OE1-NE2 3.09Š|
| 458 | A | 41.6 | Very low | 40.2 | Very low | 81 Ų | 81 | 143.4 Ų | 143.4 | 67% | 0.669 | 79% | 0.791 | S | S | * | * | | | trans | -151.4 | 125.4 | 150.6 | 0 | 0 | 0 | 0 | 0 | 108.5 | I456 I460 | I456-A458 PolarHBondContact O-N 3.37Å; A458-I460 PolarHBondContact O-N 2.95Å |
| 459 | G | 36.6 | Very low | 41.3 | Very low | 86 Ų | 86 | 136.4 Ų | 136.4 | 89% | 0.887 | 77% | 0.774 | S | S | * | * | | | trans | -71.2 | 120.7 | -167.6 | 0 | 0 | 0 | 0 | 0 | 114 | | |
| 460 | I | 44.8 | Very low | 42.7 | Very low | 163 Ų | 163 | 141.1 Ų | 141.1 | 84% | 0.836 | 78% | 0.776 | S | S | * | * | | | trans | -129.6 | 105.1 | 159.3 | -54.1 | 179.5 | 0 | 0 | 0 | 107.9 | A458 | A458-I460 PolarHBondContact O-N 2.95Š|
| 461 | T | 42.3 | Very low | 44.8 | Very low | 135 Ų | 135 | 138.9 Ų | 138.9 | 83% | 0.828 | 76% | 0.755 | S | S | * | * | | | trans | -87.7 | 162.8 | 167 | 48.2 | 0 | 0 | 0 | 0 | 110.4 | | |
| 462 | S | 38.4 | Very low | 47.3 | Very low | 110 Ų | 110 | 135.5 Ų | 135.5 | 77% | 0.769 | 75% | 0.748 | S | S | * | * | | | trans | 76.8 | 165.4 | 176.8 | -154.6 | 0 | 0 | 0 | 0 | 117.1 | | |
| 463 | S | 42.9 | Very low | 49.6 | Very low | 101 Ų | 101 | 132.4 Ų | 132.4 | 71% | 0.706 | 72% | 0.72 | S | S | * | * | | | trans | 65.7 | 63.7 | 167.9 | -55.8 | 0 | 0 | 0 | 0 | 117.6 | P465 | S463-P465 VanDerWaalsContact O-CD 3.27Å; S463-P465 WeakPolarHBondContact O-CD 3.28Å |
| 464 | I | 45.8 | Very low | 52.1 | Low | 162 Ų | 162 | 129.3 Ų | 129.3 | 83% | 0.831 | 70% | 0.703 | S | S | * | * | | | trans | -60.5 | 120.9 | 140.8 | -62.8 | 174.9 | 0 | 0 | 0 | 106.2 | E466 | I464-E466 PolarHBondContact O-N 2.86Š|
| 465 | P | 43 | Very low | 54.8 | Low | 113 Ų | 113 | 122.1 Ų | 122.1 | 73% | 0.734 | 67% | 0.667 | S | S | * | * | | | trans | -70.7 | 102.8 | 179.2 | -17.8 | 32.6 | 0 | 0 | 0 | 109.6 | S463 R467 | S463-P465 VanDerWaalsContact O-CD 3.27Å; S463-P465 WeakPolarHBondContact O-CD 3.28Å; P465-R467 PolarHBondContact O-N 3.3Å |
| 466 | E | 42.9 | Very low | 57.2 | Low | 174 Ų | 174 | 121.8 Ų | 121.8 | 81% | 0.813 | 68% | 0.675 | S | S | * | * | | | trans | -53.3 | 126.9 | 160.2 | -71.8 | -155.7 | 131.5 | 0 | 0 | 107.6 | I464 I468 | I464-E466 PolarHBondContact O-N 2.86Å; E466-I468 VanDerWaalsContact C-N 3.25Å; E466-I468 PolarHBondContact O-N 3.39Å |
| 467 | R | 38.6 | Very low | 59.4 | Low | 245 Ų | 245 | 118.4 Ų | 118.4 | 93% | 0.925 | 66% | 0.664 | S | S | * | * | | | trans | -71.1 | 92.2 | 173.4 | -71.1 | -172.2 | -179.4 | -158.5 | -0.3 | 107.8 | P465 S469 | P465-R467 PolarHBondContact O-N 3.3Å; R467-S469 PolarHBondContact O-N 3.22Å |
| 468 | I | 53.1 | Low | 61.6 | Low | 150 Ų | 150 | 113.4 Ų | 113.4 | 77% | 0.769 | 65% | 0.646 | S | S | * | * | | | trans | -59.8 | 86 | 161.9 | -57.1 | 178.2 | 0 | 0 | 0 | 106.5 | E466 E470 | E466-I468 VanDerWaalsContact C-N 3.25Å; E466-I468 PolarHBondContact O-N 3.39Å; I468-E470 PolarHBondContact O-N 3.02Å |
| 469 | S | 56.7 | Low | 63.8 | Low | 73 Ų | 73 | 114.5 Ų | 114.5 | 51% | 0.51 | 64% | 0.64 | S | S | . | * | | | trans | -65.2 | 104.7 | 163 | 175.9 | 0 | 0 | 0 | 0 | 105.1 | R467 K471 | R467-S469 PolarHBondContact O-N 3.22Å; S469-K471 WeakPolarHBondContact O-CG 3.37Å; S469-K471 PolarHBondContact O-N 3.3Å |
| 470 | E | 64.6 | Low | 66.3 | Low | 171 Ų | 171 | 116.1 Ų | 116.1 | 80% | 0.799 | 62% | 0.623 | S | S | * | * | | | trans | -52 | 112.4 | 171.1 | -69.9 | 169.6 | -159.9 | 0 | 0 | 108.5 | I468 | I468-E470 PolarHBondContact O-N 3.02Š|
| 471 | K | 78.8 | Confident | 68.6 | Low | 100 Ų | 100 | 110.7 Ų | 110.7 | 44% | 0.435 | 60% | 0.599 | S | S | . | * | | | trans | -125.3 | 74.7 | -179.8 | -75.5 | -175.9 | -163.7 | 174.9 | 0 | 107.3 | S469 H473 C481 F482 | S469-K471 WeakPolarHBondContact O-CG 3.37Å; S469-K471 PolarHBondContact O-N 3.3Å; K471-H473 PolarHBondContact O-N 3.09Å; K471-C481 HydrophobicContact CB-CB 3.7Å; K471-C481 HydrophobicContact CD-CB 4.29Å; K471-C481 VanDerWaalsContact CD-O 3.31Å; K471-C481 WeakPolarHBondContact CD-O 3.49Å; K471-F482 CarbonylContact C-O 3.58Å; K471-F482 VanDerWaalsContact CA-O 3.26Å; K471-F482 WeakPolarHBondContact CA-O 3.44Å; K471-F482 WeakPolarHBondContact CB-O 3.4Å |
| 472 | P | 84.5 | Confident | 70.9 | Confident | 98 Ų | 98 | 106.2 Ų | 106.2 | 64% | 0.636 | 57% | 0.568 | S | S | * | * | | | trans | -64.9 | -14.4 | -167.5 | 24.1 | -33.2 | 0 | 0 | 0 | 113.7 | K474 | P472-K474 PolarHBondContact O-N 3.43Š|
| 473 | H | 87.7 | Confident | 73.5 | Confident | 59 Ų | 59 | 104 Ų | 104 | 27% | 0.273 | 55% | 0.553 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -98.5 | 83.5 | -175.2 | -57.7 | -66.4 | 0 | 0 | 0 | 111.3 | K471 F482 R484 S485 L488 | K471-H473 PolarHBondContact O-N 3.09Å; H473-F482 HydrophobicContact CB-CB 4.32Å; H473-F482 PolarHBondContact N-O 3.25Å; H473-F482 PolarHBondContact O-N 3.18Å; H473-R484 VanDerWaalsContact CD2-CA 3.49Å; H473-R484 WeakPolarHBondContact CD2-CA 3.37Å; H473-S485 PolarHBondContact CD2-N 3.41Å; H473-S485 PolarHBondContact NE2-N 3.13Å; H473-L488 HydrophobicContact CB-CB 3.77Å; H473-L488 HydrophobicContact CB-CD2 3.75Å; H473-L488 HydrophobicContact CB-CG 4.37Å |
| 474 | K | 88.9 | Confident | 75.7 | Confident | 96 Ų | 96 | 106 Ų | 106 | 42% | 0.417 | 55% | 0.545 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.3 | 134.1 | 175.3 | -176.5 | 177.2 | 176.6 | -173.4 | 0 | 111.7 | P472 N479 | P472-K474 PolarHBondContact O-N 3.43Å; K474-N479 WeakPolarHBondContact CE-OD1 3.43Å; K474-N479 PolarHBondContact NZ-OD1 3.48Å |
| 475 | C | 93.1 | Very high | 77.9 | Confident | 4 Ų | 4 | 101.6 Ų | 101.6 | 3% | 0.027 | 53% | 0.529 | C | S | . | . | | | trans | -81.5 | 124 | 171 | -175.9 | 0 | 0 | 0 | 0 | 111.3 | S477 N479 K480 F482 L488 H491 H495 | C475-S477 PolarHBondContact O-N 3.13Å; C475-N479 WeakPolarHBondContact O-CA 3.43Å; C475-N479 PolarHBondContact O-N 3.23Å; C475-K480 WeakPolarHBondContact CB-O 3.48Å; C475-K480 PolarHBondContact N-O 2.88Å; C475-F482 HydrophobicContact CB-CE2 4.32Å; C475-L488 HydrophobicContact CB-CD1 3.59Å; C475-H491 VanDerWaalsContact SG-CD2 3.6Å; C475-H495 VanDerWaalsContact SG-CD2 3.56Å; C475-H495 PolarHBondContact SG-NE2 3.47Å; C475-H495 VanDerWaalsContact SG-NE2 3.38Å |
| 476 | T | 88.5 | Confident | 80.1 | Confident | 134 Ų | 134 | 99.5 Ų | 99.5 | 82% | 0.822 | 51% | 0.511 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.6 | -38.1 | 177.9 | 48 | 0 | 0 | 0 | 0 | 113 | C478 | T476-C478 PolarHBondContact O-N 3.19Š|
| 477 | S | 89 | Confident | 82.5 | Confident | 80 Ų | 80 | 93.3 Ų | 93.3 | 56% | 0.559 | 48% | 0.482 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -76.1 | -17.2 | -175 | -47.1 | 0 | 0 | 0 | 0 | 115.1 | C475 | C475-S477 PolarHBondContact O-N 3.13Š|
| 478 | C | 91.6 | Very high | 85 | Confident | 46 Ų | 46 | 83.3 Ų | 83.3 | 31% | 0.311 | 45% | 0.447 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -151.4 | 10.1 | -175.6 | 72.9 | 0 | 0 | 0 | 0 | 115.4 | T476 K480 H491 H495 | T476-C478 PolarHBondContact O-N 3.19Å; C478-K480 PolarHBondContact O-N 2.87Å; C478-H491 PolarHBondContact SG-NE2 3.3Å; C478-H495 PolarHBondContact SG-NE2 2.85Å |
| 479 | N | 88.8 | Confident | 86.8 | Confident | 104 Ų | 104 | 80 Ų | 80 | 56% | 0.556 | 43% | 0.433 | S | S | * | . | | | trans | 57.6 | 5.6 | -179.5 | -64.6 | -55.8 | 0 | 0 | 0 | 116.9 | K474 C475 C481 | K474-N479 WeakPolarHBondContact CE-OD1 3.43Å; K474-N479 PolarHBondContact NZ-OD1 3.48Å; C475-N479 WeakPolarHBondContact O-CA 3.43Å; C475-N479 PolarHBondContact O-N 3.23Å; N479-C481 PolarHBondContact O-N 3.12Å |
| 480 | K | 88.9 | Confident | 88.5 | Confident | 120 Ų | 120 | 80.8 Ų | 80.8 | 52% | 0.522 | 43% | 0.425 | S | S | . | . | | | trans | -66.4 | 126.2 | 174.9 | -69.5 | -172.8 | 178.6 | -169.4 | 0 | 111 | C475 C478 F482 | C475-K480 WeakPolarHBondContact CB-O 3.48Å; C475-K480 PolarHBondContact N-O 2.88Å; C478-K480 PolarHBondContact O-N 2.87Å; K480-F482 HydrophobicContact CB-CE2 3.82Å; K480-F482 HydrophobicContact CB-CZ 3.99Å; K480-F482 WeakPolarHBondContact O-CD2 3.21Å; K480-F482 VanDerWaalsContact O-CE2 3.31Å; K480-F482 WeakPolarHBondContact O-CE2 3.2Å |
| 481 | C | 91.6 | Very high | 89.8 | Confident | 49 Ų | 49 | 73.7 Ų | 73.7 | 33% | 0.331 | 39% | 0.392 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.9 | 140.3 | 177.9 | -56.9 | 0 | 0 | 0 | 0 | 112 | K471 N479 | K471-C481 HydrophobicContact CB-CB 3.7Å; K471-C481 HydrophobicContact CD-CB 4.29Å; K471-C481 VanDerWaalsContact CD-O 3.31Å; K471-C481 WeakPolarHBondContact CD-O 3.49Å; N479-C481 PolarHBondContact O-N 3.12Å |
| 482 | F | 92.2 | Very high | 90.3 | Very high | 41 Ų | 41 | 70.6 Ų | 70.6 | 18% | 0.18 | 39% | 0.385 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.7 | 149.8 | -177.7 | -62.1 | -86.6 | 0 | 0 | 0 | 111.8 | K471 H473 C475 K480 R484 E487 L488 H491 | K471-F482 CarbonylContact C-O 3.58Å; K471-F482 VanDerWaalsContact CA-O 3.26Å; K471-F482 WeakPolarHBondContact CA-O 3.44Å; K471-F482 WeakPolarHBondContact CB-O 3.4Å; H473-F482 HydrophobicContact CB-CB 4.32Å; H473-F482 PolarHBondContact N-O 3.25Å; H473-F482 PolarHBondContact O-N 3.18Å; C475-F482 HydrophobicContact CB-CE2 4.32Å; K480-F482 HydrophobicContact CB-CE2 3.82Å; K480-F482 HydrophobicContact CB-CZ 3.99Å; K480-F482 WeakPolarHBondContact O-CD2 3.21Å; K480-F482 VanDerWaalsContact O-CE2 3.31Å; K480-F482 WeakPolarHBondContact O-CE2 3.2Å; F482-R484 VanDerWaalsContact C-N 3.32Å; F482-E487 HydrophobicContact CB-CB 3.93Å; F482-E487 HydrophobicContact CD1-CB 3.94Å; F482-E487 HydrophobicContact CG-CB 4.2Å; F482-L488 HydrophobicContact CB-CB 4.32Å; F482-L488 HydrophobicContact CD2-CB 4.06Å; F482-L488 HydrophobicContact CD2-CD1 3.98Å; F482-L488 HydrophobicContact CE2-CD1 4.27Å; F482-L488 HydrophobicContact CG-CB 4.4Å; F482-H491 HydrophobicContact CE1-CB 4.06Å; F482-H491 HydrophobicContact CE2-CB 3.81Å; F482-H491 AromaticContact CE2-CD2 3.4Å; F482-H491 WeakPolarHBondContact CE2-CD2 3.47Å; F482-H491 AromaticContact CE2-CG 3.57Å; F482-H491 HydrophobicContact CZ-CB 3.52Å; F482-H491 AromaticContact CZ-CD2 3.54Å; F482-H491 AromaticContact CZ-CG 3.26Å; F482-H491 AromaticContact CZ-ND1 3.72Å |
| 483 | S | 91.7 | Very high | 90.7 | Very high | 65 Ų | 65 | 69.4 Ų | 69.4 | 46% | 0.455 | 37% | 0.368 | S | S | . | . | S | Bend | trans | -72.8 | -22.8 | -179.9 | 22 | 0 | 0 | 0 | 0 | 113.4 | E487 | S483-E487 WeakPolarHBondContact CB-OE2 3.45Å; S483-E487 PolarHBondContact N-OE2 3.25Å; S483-E487 PolarHBondContact OG-OE2 3.01Å |
| 484 | R | 90 | Very high | 90.8 | Very high | 142 Ų | 142 | 72.2 Ų | 72.2 | 54% | 0.536 | 38% | 0.384 | S | S | . | . | S | Bend | trans | -138.8 | 153.7 | -176.7 | -59.3 | 158.7 | 49.3 | 115.9 | -5.9 | 111.9 | H473 F482 D486 E487 L488 | H473-R484 VanDerWaalsContact CD2-CA 3.49Å; H473-R484 WeakPolarHBondContact CD2-CA 3.37Å; F482-R484 VanDerWaalsContact C-N 3.32Å; R484-D486 WeakPolarHBondContact CB-OD1 3.37Å; R484-D486 IonicContact CZ-OD1 3.91Å; R484-D486 IonicContact CZ-OD2 3.9Å; R484-D486 IonicContact NE-OD1 3.74Å; R484-D486 PolarHBondContact NE-OD1 2.96Å; R484-D486 IonicContact NE-OD2 2.84Å; R484-D486 VanDerWaalsContact NH2-CG 3.27Å; R484-D486 IonicContact NH2-OD1 2.75Å; R484-D486 PolarHBondContact NH2-OD1 3.3Å; R484-D486 IonicContact NH2-OD2 3.2Å; R484-D486 PolarHBondContact NH2-OD2 3.31Å; R484-D486 PolarHBondContact O-N 3Å; R484-E487 HydrophobicContact CB-CB 4.43Å; R484-E487 HydrophobicContact CB-CG 4.04Å; R484-E487 PolarHBondContact N-OE2 3.05Å; R484-E487 VanDerWaalsContact N-OE2 3.07Å; R484-E487 WeakPolarHBondContact O-CB 3.38Å; R484-E487 PolarHBondContact O-N 2.79Å; R484-L488 PolarHBondContact O-N 3.11Å |
| 485 | S | 91.3 | Very high | 90.9 | Very high | 70 Ų | 70 | 71.4 Ų | 71.4 | 49% | 0.49 | 38% | 0.381 | S | S | . | . | H | α-helix | trans | -65.2 | -37.6 | 179.1 | 53.1 | 0 | 0 | 0 | 0 | 112.6 | H473 E487 L488 T489 | H473-S485 PolarHBondContact CD2-N 3.41Å; H473-S485 PolarHBondContact NE2-N 3.13Å; S485-E487 VanDerWaalsContact C-N 3.32Å; S485-E487 PolarHBondContact O-N 3.18Å; S485-L488 PolarHBondContact O-N 3.44Å; S485-T489 PolarHBondContact O-N 3.33Å; S485-T489 PolarHBondContact O-OG1 3.46Å; S485-T489 VanDerWaalsContact O-OG1 3.06Å |
| 486 | D | 90.3 | Very high | 90.8 | Very high | 69 Ų | 69 | 76.2 Ų | 76.2 | 37% | 0.369 | 41% | 0.411 | S | S | . | . | H | α-helix | trans | -67.9 | -30.6 | 177 | 68.5 | -43.1 | 0 | 0 | 0 | 112.9 | R484 R490 | R484-D486 WeakPolarHBondContact CB-OD1 3.37Å; R484-D486 IonicContact CZ-OD1 3.91Å; R484-D486 IonicContact CZ-OD2 3.9Å; R484-D486 IonicContact NE-OD1 3.74Å; R484-D486 PolarHBondContact NE-OD1 2.96Å; R484-D486 IonicContact NE-OD2 2.84Å; R484-D486 VanDerWaalsContact NH2-CG 3.27Å; R484-D486 IonicContact NH2-OD1 2.75Å; R484-D486 PolarHBondContact NH2-OD1 3.3Å; R484-D486 IonicContact NH2-OD2 3.2Å; R484-D486 PolarHBondContact NH2-OD2 3.31Å; R484-D486 PolarHBondContact O-N 3Å; D486-R490 WeakPolarHBondContact O-CB 3.48Å; D486-R490 PolarHBondContact O-N 3.2Å |
| 487 | E | 91.8 | Very high | 90.8 | Very high | 44 Ų | 44 | 72 Ų | 72 | 21% | 0.206 | 39% | 0.394 | C | S | . | . | H | α-helix | trans | -66 | -45 | 170.9 | -65.7 | 175.8 | 148.7 | 0 | 0 | 111.2 | F482 S483 R484 S485 R490 H491 | F482-E487 HydrophobicContact CB-CB 3.93Å; F482-E487 HydrophobicContact CD1-CB 3.94Å; F482-E487 HydrophobicContact CG-CB 4.2Å; S483-E487 WeakPolarHBondContact CB-OE2 3.45Å; S483-E487 PolarHBondContact N-OE2 3.25Å; S483-E487 PolarHBondContact OG-OE2 3.01Å; R484-E487 HydrophobicContact CB-CB 4.43Å; R484-E487 HydrophobicContact CB-CG 4.04Å; R484-E487 PolarHBondContact N-OE2 3.05Å; R484-E487 VanDerWaalsContact N-OE2 3.07Å; R484-E487 WeakPolarHBondContact O-CB 3.38Å; R484-E487 PolarHBondContact O-N 2.79Å; S485-E487 VanDerWaalsContact C-N 3.32Å; S485-E487 PolarHBondContact O-N 3.18Å; E487-R490 PolarHBondContact O-N 3.03Å; E487-H491 WeakPolarHBondContact O-CB 3.5Å; E487-H491 PolarHBondContact O-N 2.77Å |
| 488 | L | 92.8 | Very high | 90.8 | Very high | 35 Ų | 35 | 70.1 Ų | 70.1 | 18% | 0.183 | 38% | 0.384 | C | S | . | . | H | α-helix | trans | -63.8 | -47 | 173.8 | 172.1 | 61.5 | 0 | 0 | 0 | 111.8 | H473 C475 F482 R484 S485 R490 H491 A492 | H473-L488 HydrophobicContact CB-CB 3.77Å; H473-L488 HydrophobicContact CB-CD2 3.75Å; H473-L488 HydrophobicContact CB-CG 4.37Å; C475-L488 HydrophobicContact CB-CD1 3.59Å; F482-L488 HydrophobicContact CB-CB 4.32Å; F482-L488 HydrophobicContact CD2-CB 4.06Å; F482-L488 HydrophobicContact CD2-CD1 3.98Å; F482-L488 HydrophobicContact CE2-CD1 4.27Å; F482-L488 HydrophobicContact CG-CB 4.4Å; R484-L488 PolarHBondContact O-N 3.11Å; S485-L488 PolarHBondContact O-N 3.44Å; L488-R490 VanDerWaalsContact C-N 3.31Å; L488-R490 PolarHBondContact O-N 3.25Å; L488-H491 CarbonylContact O-C 3.6Å; L488-H491 WeakPolarHBondContact O-CA 3.2Å; L488-H491 WeakPolarHBondContact O-CB 3.3Å; L488-H491 PolarHBondContact O-N 3.35Å; L488-H491 VanDerWaalsContact O-N 3.09Å; L488-A492 WeakPolarHBondContact O-CB 3.44Å; L488-A492 PolarHBondContact O-N 3.39Å |
| 489 | T | 90.9 | Very high | 90.8 | Very high | 79 Ų | 79 | 72.9 Ų | 72.9 | 49% | 0.485 | 39% | 0.39 | S | S | . | . | H | α-helix | trans | -61.7 | -39.2 | 178.3 | -60.4 | 0 | 0 | 0 | 0 | 111.5 | S485 A492 | S485-T489 PolarHBondContact O-N 3.33Å; S485-T489 PolarHBondContact O-OG1 3.46Å; S485-T489 VanDerWaalsContact O-OG1 3.06Å; T489-A492 PolarHBondContact O-N 3.05Å |
| 490 | R | 91.2 | Very high | 90.9 | Very high | 91 Ų | 91 | 71.6 Ų | 71.6 | 34% | 0.343 | 39% | 0.387 | S | S | . | . | H | α-helix | trans | -66.1 | -37.5 | 173.5 | -173 | -179.9 | 74.3 | -149.3 | -0.1 | 111.8 | D486 E487 L488 R512 | D486-R490 WeakPolarHBondContact O-CB 3.48Å; D486-R490 PolarHBondContact O-N 3.2Å; E487-R490 PolarHBondContact O-N 3.03Å; L488-R490 VanDerWaalsContact C-N 3.31Å; L488-R490 PolarHBondContact O-N 3.25Å; R490-R512 HydrophobicContact CG-CG 3.97Å |
| 491 | H | 91.8 | Very high | 91.1 | Very high | 22 Ų | 22 | 68.9 Ų | 68.9 | 10% | 0.102 | 38% | 0.376 | C | S | . | . | H | α-helix | trans | -69.9 | -39 | 175.3 | 176 | 65.4 | 0 | 0 | 0 | 112.7 | C475 C478 F482 E487 L488 R493 I494 H495 | C475-H491 VanDerWaalsContact SG-CD2 3.6Å; C478-H491 PolarHBondContact SG-NE2 3.3Å; F482-H491 HydrophobicContact CE1-CB 4.06Å; F482-H491 HydrophobicContact CE2-CB 3.81Å; F482-H491 AromaticContact CE2-CD2 3.4Å; F482-H491 WeakPolarHBondContact CE2-CD2 3.47Å; F482-H491 AromaticContact CE2-CG 3.57Å; F482-H491 HydrophobicContact CZ-CB 3.52Å; F482-H491 AromaticContact CZ-CD2 3.54Å; F482-H491 AromaticContact CZ-CG 3.26Å; F482-H491 AromaticContact CZ-ND1 3.72Å; E487-H491 WeakPolarHBondContact O-CB 3.5Å; E487-H491 PolarHBondContact O-N 2.77Å; L488-H491 CarbonylContact O-C 3.6Å; L488-H491 WeakPolarHBondContact O-CA 3.2Å; L488-H491 WeakPolarHBondContact O-CB 3.3Å; L488-H491 PolarHBondContact O-N 3.35Å; L488-H491 VanDerWaalsContact O-N 3.09Å; H491-R493 PolarHBondContact O-N 2.88Å; H491-I494 VanDerWaalsContact O-CB 3.24Å; H491-I494 WeakPolarHBondContact O-CB 3.41Å; H491-I494 WeakPolarHBondContact O-CG1 3.45Å; H491-I494 PolarHBondContact O-N 3.15Å; H491-H495 AromaticContact CD2-NE2 3.75Å; H491-H495 AromaticContact CE1-NE2 3.62Å; H491-H495 AromaticContact NE2-CD2 3.89Å; H491-H495 AromaticContact NE2-CE1 3.9Å; H491-H495 AromaticContact NE2-NE2 3Å; H491-H495 PolarHBondContact NE2-NE2 3.35Å |
| 492 | A | 90.2 | Very high | 91.1 | Very high | 35 Ų | 35 | 72.2 Ų | 72.2 | 29% | 0.289 | 39% | 0.385 | S | S | . | . | H | α-helix | trans | -59.4 | -29.7 | 179.2 | 0 | 0 | 0 | 0 | 0 | 112.8 | L488 T489 I494 H495 T496 | L488-A492 WeakPolarHBondContact O-CB 3.44Å; L488-A492 PolarHBondContact O-N 3.39Å; T489-A492 PolarHBondContact O-N 3.05Å; A492-I494 PolarHBondContact O-N 3.48Å; A492-I494 VanDerWaalsContact O-N 3.16Å; A492-H495 PolarHBondContact O-N 3.37Å; A492-T496 PolarHBondContact O-N 3.04Å; A492-T496 PolarHBondContact O-OG1 3Å |
| 493 | R | 91.9 | Very high | 91.3 | Very high | 73 Ų | 73 | 70.3 Ų | 70.3 | 28% | 0.275 | 38% | 0.376 | S | S | . | . | H | α-helix | trans | -60.4 | -19.2 | 172.3 | -63.7 | 177.1 | -170.5 | 177.4 | 0.6 | 114.2 | H491 T496 G497 A498 S511 | H491-R493 PolarHBondContact O-N 2.88Å; R493-T496 WeakPolarHBondContact CA-OG1 3.5Å; R493-G497 CarbonylContact O-C 3.08Å; R493-G497 WeakPolarHBondContact O-CA 3.42Å; R493-G497 PolarHBondContact O-N 3.41Å; R493-G497 VanDerWaalsContact O-N 3.12Å; R493-A498 HydrophobicContact CB-CB 4.42Å; R493-A498 HydrophobicContact CG-CB 4.28Å; R493-A498 PolarHBondContact O-N 3.37Å; R493-S511 WeakPolarHBondContact CD-O 3.43Å; R493-S511 PolarHBondContact NH1-O 3.45Å |
| 494 | I | 91 | Very high | 91.3 | Very high | 117 Ų | 117 | 71.1 Ų | 71.1 | 60% | 0.6 | 39% | 0.387 | S | S | * | . | H | α-helix | trans | -73.3 | -38.5 | 174 | -55.6 | 177.5 | 0 | 0 | 0 | 110 | H491 A492 | H491-I494 VanDerWaalsContact O-CB 3.24Å; H491-I494 WeakPolarHBondContact O-CB 3.41Å; H491-I494 WeakPolarHBondContact O-CG1 3.45Å; H491-I494 PolarHBondContact O-N 3.15Å; A492-I494 PolarHBondContact O-N 3.48Å; A492-I494 VanDerWaalsContact O-N 3.16Å |
| 495 | H | 90.8 | Very high | 91.3 | Very high | 80 Ų | 80 | 70.1 Ų | 70.1 | 37% | 0.37 | 39% | 0.388 | S | S | . | . | H | α-helix | trans | -78.7 | -38.1 | 178.5 | -56.1 | -61.5 | 0 | 0 | 0 | 112.6 | C475 C478 H491 A492 G497 | C475-H495 VanDerWaalsContact SG-CD2 3.56Å; C475-H495 PolarHBondContact SG-NE2 3.47Å; C475-H495 VanDerWaalsContact SG-NE2 3.38Å; C478-H495 PolarHBondContact SG-NE2 2.85Å; H491-H495 AromaticContact CD2-NE2 3.75Å; H491-H495 AromaticContact CE1-NE2 3.62Å; H491-H495 AromaticContact NE2-CD2 3.89Å; H491-H495 AromaticContact NE2-CE1 3.9Å; H491-H495 AromaticContact NE2-NE2 3Å; H491-H495 PolarHBondContact NE2-NE2 3.35Å; A492-H495 PolarHBondContact O-N 3.37Å; H495-G497 VanDerWaalsContact C-N 3.31Å |
| 496 | T | 89.8 | Confident | 91.4 | Very high | 104 Ų | 104 | 68.9 Ų | 68.9 | 64% | 0.638 | 38% | 0.379 | S | S | * | . | S | Bend | trans | -83.4 | -5 | 177.4 | 62.7 | 0 | 0 | 0 | 0 | 113.8 | A492 R493 A498 | A492-T496 PolarHBondContact O-N 3.04Å; A492-T496 PolarHBondContact O-OG1 3Å; R493-T496 WeakPolarHBondContact CA-OG1 3.5Å; T496-A498 PolarHBondContact O-N 2.74Å; T496-A498 VanDerWaalsContact O-N 3.1Å; T496-A498 WeakPolarHBondContact OG1-CB 3.45Å |
| 497 | G | 88.8 | Confident | 91.5 | Very high | 47 Ų | 47 | 71.5 Ų | 71.5 | 49% | 0.485 | 39% | 0.389 | S | S | . | . | | | trans | 63.8 | 8.1 | -173.9 | 0 | 0 | 0 | 0 | 0 | 114.9 | R493 H495 K499 | R493-G497 CarbonylContact O-C 3.08Å; R493-G497 WeakPolarHBondContact O-CA 3.42Å; R493-G497 PolarHBondContact O-N 3.41Å; R493-G497 VanDerWaalsContact O-N 3.12Å; H495-G497 VanDerWaalsContact C-N 3.31Å; G497-K499 PolarHBondContact O-N 2.81Å |
| 498 | A | 89.4 | Confident | 91.5 | Very high | 40 Ų | 40 | 77.1 Ų | 77.1 | 33% | 0.331 | 41% | 0.409 | S | S | . | . | | | trans | -68.3 | 115.4 | -168.1 | 0 | 0 | 0 | 0 | 0 | 113.1 | R493 T496 P500 | R493-A498 HydrophobicContact CB-CB 4.42Å; R493-A498 HydrophobicContact CG-CB 4.28Å; R493-A498 PolarHBondContact O-N 3.37Å; T496-A498 PolarHBondContact O-N 2.74Å; T496-A498 VanDerWaalsContact O-N 3.1Å; T496-A498 WeakPolarHBondContact OG1-CB 3.45Å; A498-P500 VanDerWaalsContact C-CD 3.45Å; A498-P500 WeakPolarHBondContact O-CD 3.38Å |
| 499 | K | 91.5 | Very high | 91.6 | Very high | 104 Ų | 104 | 79.4 Ų | 79.4 | 45% | 0.452 | 42% | 0.418 | S | S | . | . | | | trans | -115 | 72.1 | -179.8 | -65.9 | 169.3 | -176.4 | -178.7 | 0 | 111.8 | G497 F501 E509 F510 | G497-K499 PolarHBondContact O-N 2.81Å; K499-F501 PolarHBondContact O-N 3.16Å; K499-F501 VanDerWaalsContact O-N 3.16Å; K499-E509 HydrophobicContact CB-CB 3.5Å; K499-E509 VanDerWaalsContact CB-CB 3.5Å; K499-E509 HydrophobicContact CD-CB 3.87Å; K499-E509 HydrophobicContact CG-CB 4.29Å; K499-F510 CarbonylContact C-O 3.57Å; K499-F510 VanDerWaalsContact C-O 3.24Å; K499-F510 VanDerWaalsContact CA-O 3.31Å; K499-F510 WeakPolarHBondContact CA-O 3.48Å |
| 500 | P | 90.9 | Very high | 91.7 | Very high | 76 Ų | 76 | 77.8 Ų | 77.8 | 49% | 0.494 | 41% | 0.405 | S | S | . | . | | | trans | -69.1 | -12.2 | -172 | 27.8 | -35.7 | 0 | 0 | 0 | 115 | A498 | A498-P500 VanDerWaalsContact C-CD 3.45Å; A498-P500 WeakPolarHBondContact O-CD 3.38Å |
| 501 | F | 93.6 | Very high | 91.8 | Very high | 63 Ų | 63 | 75.2 Ų | 75.2 | 28% | 0.276 | 40% | 0.4 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -104 | 102.2 | -176.5 | -57.2 | -74.1 | 0 | 0 | 0 | 110.7 | K499 E509 F510 S513 L516 | K499-F501 PolarHBondContact O-N 3.16Å; K499-F501 VanDerWaalsContact O-N 3.16Å; F501-E509 CarbonylContact O-C 3.47Å; F501-E509 WeakPolarHBondContact O-CA 3.31Å; F501-F510 HydrophobicContact CB-CB 4.32Å; F501-F510 PolarHBondContact N-O 3.49Å; F501-F510 VanDerWaalsContact N-O 3.11Å; F501-F510 PolarHBondContact O-N 3.25Å; F501-S513 VanDerWaalsContact CD2-N 3.31Å; F501-S513 VanDerWaalsContact CE2-N 3.28Å; F501-L516 HydrophobicContact CB-CB 4.09Å; F501-L516 HydrophobicContact CB-CD2 3.84Å |
| 502 | K | 91.9 | Very high | 91.8 | Very high | 119 Ų | 119 | 76 Ų | 76 | 52% | 0.517 | 40% | 0.402 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.7 | 140.4 | 179.4 | -47.9 | -160.8 | -172.7 | -156.2 | 0 | 111.7 | E509 | K502-E509 HydrophobicContact CD-CG 4.1Å; K502-E509 WeakPolarHBondContact CD-OE1 3.48Å; K502-E509 WeakPolarHBondContact CE-OE1 3.44Å; K502-E509 HydrophobicContact CG-CG 4.04Å; K502-E509 IonicContact NZ-OE1 2.64Å; K502-E509 PolarHBondContact NZ-OE1 2.97Å |
| 503 | C | 95 | Very high | 91.9 | Very high | 1 Ų | 1 | 77.3 Ų | 77.3 | 1% | 0.007 | 41% | 0.41 | C | S | . | . | | | trans | -77.8 | 124.7 | 169.3 | 175.6 | 0 | 0 | 0 | 0 | 110.3 | E505 Q507 R508 L516 M520 H523 | C503-E505 VanDerWaalsContact C-N 3.31Å; C503-E505 PolarHBondContact O-N 3.14Å; C503-E505 PolarHBondContact SG-N 3.36Å; C503-Q507 WeakPolarHBondContact O-CA 3.18Å; C503-Q507 PolarHBondContact O-N 3.08Å; C503-R508 WeakPolarHBondContact CB-O 3.48Å; C503-R508 PolarHBondContact N-O 3.22Å; C503-L516 HydrophobicContact CB-CD1 3.85Å; C503-M520 HydrophobicContact CB-SD 4.3Å; C503-H523 PolarHBondContact SG-NE2 3.03Å |
| 504 | A | 92 | Very high | 91.9 | Very high | 82 Ų | 82 | 77.2 Ų | 77.2 | 68% | 0.678 | 42% | 0.415 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.4 | -34.9 | 178.9 | 0 | 0 | 0 | 0 | 0 | 113.2 | Q507 | A504-Q507 PolarHBondContact O-NE2 3.06Š|
| 505 | E | 91.6 | Very high | 92 | Very high | 121 Ų | 121 | 75 Ų | 75 | 57% | 0.565 | 40% | 0.402 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -81.4 | -38.6 | -171.3 | -64.5 | 179.8 | -109.7 | 0 | 0 | 113.6 | C503 M520 H523 | C503-E505 VanDerWaalsContact C-N 3.31Å; C503-E505 PolarHBondContact O-N 3.14Å; C503-E505 PolarHBondContact SG-N 3.36Å; E505-M520 HydrophobicContact CG-CE 4.35Å; E505-M520 WeakPolarHBondContact OE1-CE 3.07Å; E505-H523 VanDerWaalsContact OE1-CB 3.32Å; E505-H523 WeakPolarHBondContact OE1-CB 3.27Å; E505-H523 IonicContact OE1-CD2 2.79Å; E505-H523 IonicContact OE1-CG 3.63Å; E505-H523 WeakPolarHBondContact OE2-CB 3.49Å; E505-H523 IonicContact OE2-CG 2.74Å |
| 506 | C | 93.3 | Very high | 92.2 | Very high | 44 Ų | 44 | 72.7 Ų | 72.7 | 30% | 0.297 | 39% | 0.392 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -128.8 | 13.8 | -178.1 | 77.4 | 0 | 0 | 0 | 0 | 114.7 | R508 H519 H523 | C506-R508 PolarHBondContact O-N 2.97Å; C506-H519 PolarHBondContact SG-NE2 2.98Å; C506-H523 WeakPolarHBondContact CB-CE1 3.46Å; C506-H523 PolarHBondContact SG-CE1 2.65Å; C506-H523 PolarHBondContact SG-NE2 3.07Å |
| 507 | Q | 91.6 | Very high | 92.3 | Very high | 124 Ų | 124 | 71.5 Ų | 71.5 | 58% | 0.579 | 39% | 0.385 | S | S | * | . | | | trans | 55.2 | 16.8 | 174.1 | -57 | -60 | -38.3 | 0 | 0 | 115.8 | C503 A504 | C503-Q507 WeakPolarHBondContact O-CA 3.18Å; C503-Q507 PolarHBondContact O-N 3.08Å; A504-Q507 PolarHBondContact O-NE2 3.06Å |
| 508 | R | 91.7 | Very high | 92.5 | Very high | 163 Ų | 163 | 71.5 Ų | 71.5 | 62% | 0.615 | 38% | 0.376 | S | S | * | . | | | trans | -71.2 | 134.6 | 173.6 | -74.8 | -179.2 | 179.4 | -164 | -1.6 | 110.3 | C503 C506 F510 | C503-R508 WeakPolarHBondContact CB-O 3.48Å; C503-R508 PolarHBondContact N-O 3.22Å; C506-R508 PolarHBondContact O-N 2.97Å; R508-F510 HydrophobicContact CB-CE2 3.74Å; R508-F510 HydrophobicContact CB-CZ 3.99Å; R508-F510 WeakPolarHBondContact O-CD2 3.02Å; R508-F510 VanDerWaalsContact O-CE2 3.31Å; R508-F510 WeakPolarHBondContact O-CE2 3.32Å |
| 509 | E | 94.9 | Very high | 92.7 | Very high | 82 Ų | 82 | 70.4 Ų | 70.4 | 38% | 0.383 | 36% | 0.363 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -107 | 141.5 | -175.4 | -44.2 | -173.3 | 150.8 | 0 | 0 | 112 | K499 F501 K502 | K499-E509 HydrophobicContact CB-CB 3.5Å; K499-E509 VanDerWaalsContact CB-CB 3.5Å; K499-E509 HydrophobicContact CD-CB 3.87Å; K499-E509 HydrophobicContact CG-CB 4.29Å; F501-E509 CarbonylContact O-C 3.47Å; F501-E509 WeakPolarHBondContact O-CA 3.31Å; K502-E509 HydrophobicContact CD-CG 4.1Å; K502-E509 WeakPolarHBondContact CD-OE1 3.48Å; K502-E509 WeakPolarHBondContact CE-OE1 3.44Å; K502-E509 HydrophobicContact CG-CG 4.04Å; K502-E509 IonicContact NZ-OE1 2.64Å; K502-E509 PolarHBondContact NZ-OE1 2.97Å |
| 510 | F | 92.9 | Very high | 92.8 | Very high | 45 Ų | 45 | 67.9 Ų | 67.9 | 20% | 0.197 | 35% | 0.354 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.9 | 144.1 | -175.7 | -59 | -93 | 0 | 0 | 0 | 111.3 | K499 F501 R508 R512 H515 L516 H519 | K499-F510 CarbonylContact C-O 3.57Å; K499-F510 VanDerWaalsContact C-O 3.24Å; K499-F510 VanDerWaalsContact CA-O 3.31Å; K499-F510 WeakPolarHBondContact CA-O 3.48Å; F501-F510 HydrophobicContact CB-CB 4.32Å; F501-F510 PolarHBondContact N-O 3.49Å; F501-F510 VanDerWaalsContact N-O 3.11Å; F501-F510 PolarHBondContact O-N 3.25Å; R508-F510 HydrophobicContact CB-CE2 3.74Å; R508-F510 HydrophobicContact CB-CZ 3.99Å; R508-F510 WeakPolarHBondContact O-CD2 3.02Å; R508-F510 VanDerWaalsContact O-CE2 3.31Å; R508-F510 WeakPolarHBondContact O-CE2 3.32Å; F510-R512 VanDerWaalsContact C-N 3.3Å; F510-R512 PolarHBondContact O-N 2.81Å; F510-H515 HydrophobicContact CB-CB 4.36Å; F510-H515 HydrophobicContact CD1-CB 3.96Å; F510-H515 HydrophobicContact CG-CB 4.46Å; F510-L516 HydrophobicContact CB-CB 4.44Å; F510-L516 HydrophobicContact CD2-CB 4.16Å; F510-L516 HydrophobicContact CD2-CD1 3.98Å; F510-L516 HydrophobicContact CE2-CD1 4.15Å; F510-L516 HydrophobicContact CG-CB 4.4Å; F510-H519 HydrophobicContact CE1-CB 4.11Å; F510-H519 HydrophobicContact CE2-CB 4.19Å; F510-H519 AromaticContact CE2-CD2 3.22Å; F510-H519 WeakPolarHBondContact CE2-CD2 3.5Å; F510-H519 AromaticContact CE2-CG 3.9Å; F510-H519 HydrophobicContact CZ-CB 3.67Å; F510-H519 AromaticContact CZ-CD2 3.23Å; F510-H519 WeakPolarHBondContact CZ-CD2 3Å; F510-H519 AromaticContact CZ-CG 3.47Å; F510-H519 VanDerWaalsContact CZ-CG 3.47Å; F510-H519 AromaticContact CZ-NE2 3.99Å |
| 511 | S | 92.5 | Very high | 92.9 | Very high | 37 Ų | 37 | 66.8 Ų | 66.8 | 26% | 0.259 | 34% | 0.34 | S | S | . | . | S | Bend | trans | -76.2 | -15.2 | 177.3 | 56.7 | 0 | 0 | 0 | 0 | 113.9 | R493 | R493-S511 WeakPolarHBondContact CD-O 3.43Å; R493-S511 PolarHBondContact NH1-O 3.45Å |
| 512 | R | 92.3 | Very high | 92.8 | Very high | 38 Ų | 38 | 68.5 Ų | 68.5 | 14% | 0.143 | 36% | 0.356 | C | S | . | . | S | Bend | trans | -139 | 144.4 | -176.1 | -59.8 | 162 | 53.1 | 157.8 | -7.7 | 111.8 | D13 R490 F510 D514 H515 L516 | D13-R512 IonicContact OD1-NH1 2.93Å; D13-R512 IonicContact OD2-CZ 3.79Å; D13-R512 IonicContact OD2-NH1 3.65Å; D13-R512 PolarHBondContact OD2-NH1 2.6Å; R490-R512 HydrophobicContact CG-CG 3.97Å; F510-R512 VanDerWaalsContact C-N 3.3Å; F510-R512 PolarHBondContact O-N 2.81Å; R512-D514 WeakPolarHBondContact CB-OD1 3.11Å; R512-D514 IonicContact CZ-OD1 2.81Å; R512-D514 IonicContact CZ-OD2 3.84Å; R512-D514 IonicContact NE-OD1 3.74Å; R512-D514 PolarHBondContact NE-OD1 3.04Å; R512-D514 IonicContact NE-OD2 2.76Å; R512-D514 IonicContact NH2-OD1 3.31Å; R512-D514 PolarHBondContact NH2-OD1 2.76Å; R512-D514 IonicContact NH2-OD2 3.21Å; R512-D514 PolarHBondContact NH2-OD2 3.25Å; R512-H515 HydrophobicContact CB-CB 4.49Å; R512-H515 WeakPolarHBondContact CD-NE2 3.23Å; R512-H515 VanDerWaalsContact CZ-CE1 3.45Å; R512-H515 PolarHBondContact NE-CE1 3.42Å; R512-H515 PolarHBondContact O-N 2.74Å; R512-L516 PolarHBondContact O-N 3.41Å |
| 513 | S | 92.8 | Very high | 92.9 | Very high | 64 Ų | 64 | 66.4 Ų | 66.4 | 45% | 0.448 | 35% | 0.347 | S | S | . | . | H | α-helix | trans | -68.8 | -37.6 | -179.8 | 46.6 | 0 | 0 | 0 | 0 | 112.9 | F501 H515 L516 T517 | F501-S513 VanDerWaalsContact CD2-N 3.31Å; F501-S513 VanDerWaalsContact CE2-N 3.28Å; S513-H515 PolarHBondContact O-N 3.19Å; S513-L516 PolarHBondContact O-N 3.28Å; S513-L516 VanDerWaalsContact O-N 3.13Å; S513-T517 PolarHBondContact O-N 3.25Å; S513-T517 PolarHBondContact O-OG1 3.47Å |
| 514 | D | 91.1 | Very high | 92.7 | Very high | 71 Ų | 71 | 70.2 Ų | 70.2 | 38% | 0.38 | 37% | 0.371 | S | S | . | . | H | α-helix | trans | -60.8 | -34 | 177.2 | 67.6 | -47.4 | 0 | 0 | 0 | 112 | R512 T518 | R512-D514 WeakPolarHBondContact CB-OD1 3.11Å; R512-D514 IonicContact CZ-OD1 2.81Å; R512-D514 IonicContact CZ-OD2 3.84Å; R512-D514 IonicContact NE-OD1 3.74Å; R512-D514 PolarHBondContact NE-OD1 3.04Å; R512-D514 IonicContact NE-OD2 2.76Å; R512-D514 IonicContact NH2-OD1 3.31Å; R512-D514 PolarHBondContact NH2-OD1 2.76Å; R512-D514 IonicContact NH2-OD2 3.21Å; R512-D514 PolarHBondContact NH2-OD2 3.25Å; D514-T518 WeakPolarHBondContact O-CG2 3.47Å; D514-T518 PolarHBondContact O-N 2.88Å; D514-T518 PolarHBondContact O-OG1 2.69Å |
| 515 | H | 93.3 | Very high | 92.6 | Very high | 70 Ų | 70 | 68.8 Ų | 68.8 | 32% | 0.324 | 36% | 0.364 | S | S | . | . | H | α-helix | trans | -68.7 | -45.7 | 173.9 | -63.8 | 0.1 | 0 | 0 | 0 | 111.7 | F510 R512 S513 T517 T518 H519 | F510-H515 HydrophobicContact CB-CB 4.36Å; F510-H515 HydrophobicContact CD1-CB 3.96Å; F510-H515 HydrophobicContact CG-CB 4.46Å; R512-H515 HydrophobicContact CB-CB 4.49Å; R512-H515 WeakPolarHBondContact CD-NE2 3.23Å; R512-H515 VanDerWaalsContact CZ-CE1 3.45Å; R512-H515 PolarHBondContact NE-CE1 3.42Å; R512-H515 PolarHBondContact O-N 2.74Å; S513-H515 PolarHBondContact O-N 3.19Å; H515-T517 PolarHBondContact O-N 3.5Å; H515-T518 PolarHBondContact O-N 3.13Å; H515-T518 PolarHBondContact O-OG1 2.85Å; H515-H519 PolarHBondContact O-N 2.79Å |
| 516 | L | 94.5 | Very high | 92.6 | Very high | 31 Ų | 31 | 67.8 Ų | 67.8 | 16% | 0.162 | 36% | 0.359 | C | S | . | . | H | α-helix | trans | -57.5 | -47.5 | 172.9 | 175.8 | 60.2 | 0 | 0 | 0 | 111.3 | F501 C503 F510 R512 S513 T518 H519 M520 | F501-L516 HydrophobicContact CB-CB 4.09Å; F501-L516 HydrophobicContact CB-CD2 3.84Å; C503-L516 HydrophobicContact CB-CD1 3.85Å; F510-L516 HydrophobicContact CB-CB 4.44Å; F510-L516 HydrophobicContact CD2-CB 4.16Å; F510-L516 HydrophobicContact CD2-CD1 3.98Å; F510-L516 HydrophobicContact CE2-CD1 4.15Å; F510-L516 HydrophobicContact CG-CB 4.4Å; R512-L516 PolarHBondContact O-N 3.41Å; S513-L516 PolarHBondContact O-N 3.28Å; S513-L516 VanDerWaalsContact O-N 3.13Å; L516-T518 VanDerWaalsContact C-N 3.33Å; L516-T518 PolarHBondContact O-N 3.35Å; L516-H519 CarbonylContact O-C 3.54Å; L516-H519 WeakPolarHBondContact O-CA 3.42Å; L516-H519 WeakPolarHBondContact O-CB 3.43Å; L516-H519 PolarHBondContact O-N 3.3Å; L516-M520 HydrophobicContact CD1-CG 4.23Å; L516-M520 HydrophobicContact CD1-SD 3.81Å; L516-M520 HydrophobicContact CG-CG 4.45Å; L516-M520 WeakPolarHBondContact O-CG 3.22Å; L516-M520 PolarHBondContact O-N 3Å |
| 517 | T | 93 | Very high | 92.6 | Very high | 80 Ų | 80 | 71.4 Ų | 71.4 | 49% | 0.491 | 37% | 0.367 | S | S | . | . | H | α-helix | trans | -60.4 | -39.7 | 177.3 | -51.5 | 0 | 0 | 0 | 0 | 112.3 | S513 H515 H519 M520 | S513-T517 PolarHBondContact O-N 3.25Å; S513-T517 PolarHBondContact O-OG1 3.47Å; H515-T517 PolarHBondContact O-N 3.5Å; T517-H519 VanDerWaalsContact C-N 3.28Å; T517-H519 PolarHBondContact O-N 2.87Å; T517-M520 PolarHBondContact O-N 2.92Å |
| 518 | T | 92.6 | Very high | 92.6 | Very high | 47 Ų | 47 | 69 Ų | 69 | 29% | 0.288 | 36% | 0.361 | S | S | . | . | H | α-helix | trans | -70.4 | -23.3 | 173.6 | 56.8 | 0 | 0 | 0 | 0 | 113.8 | D514 H515 L516 R540 | D514-T518 WeakPolarHBondContact O-CG2 3.47Å; D514-T518 PolarHBondContact O-N 2.88Å; D514-T518 PolarHBondContact O-OG1 2.69Å; H515-T518 PolarHBondContact O-N 3.13Å; H515-T518 PolarHBondContact O-OG1 2.85Å; L516-T518 VanDerWaalsContact C-N 3.33Å; L516-T518 PolarHBondContact O-N 3.35Å; T518-R540 HydrophobicContact CG2-CG 4.06Å |
| 519 | H | 93.4 | Very high | 92.7 | Very high | 16 Ų | 16 | 64.2 Ų | 64.2 | 7% | 0.074 | 35% | 0.345 | C | S | . | . | H | α-helix | trans | -79.9 | -36.1 | 173.4 | 169.3 | 43.2 | 0 | 0 | 0 | 112.6 | C506 F510 H515 L516 T517 R521 T522 H523 | C506-H519 PolarHBondContact SG-NE2 2.98Å; F510-H519 HydrophobicContact CE1-CB 4.11Å; F510-H519 HydrophobicContact CE2-CB 4.19Å; F510-H519 AromaticContact CE2-CD2 3.22Å; F510-H519 WeakPolarHBondContact CE2-CD2 3.5Å; F510-H519 AromaticContact CE2-CG 3.9Å; F510-H519 HydrophobicContact CZ-CB 3.67Å; F510-H519 AromaticContact CZ-CD2 3.23Å; F510-H519 WeakPolarHBondContact CZ-CD2 3Å; F510-H519 AromaticContact CZ-CG 3.47Å; F510-H519 VanDerWaalsContact CZ-CG 3.47Å; F510-H519 AromaticContact CZ-NE2 3.99Å; H515-H519 PolarHBondContact O-N 2.79Å; L516-H519 CarbonylContact O-C 3.54Å; L516-H519 WeakPolarHBondContact O-CA 3.42Å; L516-H519 WeakPolarHBondContact O-CB 3.43Å; L516-H519 PolarHBondContact O-N 3.3Å; T517-H519 VanDerWaalsContact C-N 3.28Å; T517-H519 PolarHBondContact O-N 2.87Å; H519-R521 PolarHBondContact O-N 2.78Å; H519-R521 VanDerWaalsContact O-N 3.08Å; H519-T522 PolarHBondContact CE1-OG1 3.47Å; H519-T522 PolarHBondContact ND1-OG1 2.95Å; H519-T522 WeakPolarHBondContact O-CB 3.45Å; H519-T522 PolarHBondContact O-N 3.39Å; H519-T522 PolarHBondContact O-OG1 2.6Å; H519-H523 AromaticContact CD2-NE2 3.62Å; H519-H523 AromaticContact CE1-CD2 3.96Å; H519-H523 AromaticContact CE1-NE2 2.84Å; H519-H523 PolarHBondContact CE1-NE2 2.82Å; H519-H523 AromaticContact ND1-NE2 3.9Å; H519-H523 AromaticContact NE2-NE2 2.6Å; H519-H523 PolarHBondContact NE2-NE2 3.44Å |
| 520 | M | 93.4 | Very high | 92.5 | Very high | 51 Ų | 51 | 63.8 Ų | 63.8 | 25% | 0.251 | 35% | 0.348 | S | S | . | . | H | α-helix | trans | -57.7 | -27.9 | 176.1 | -62.9 | -48 | -60.7 | 0 | 0 | 112.3 | C503 E505 L516 T517 T522 H523 T524 | C503-M520 HydrophobicContact CB-SD 4.3Å; E505-M520 HydrophobicContact CG-CE 4.35Å; E505-M520 WeakPolarHBondContact OE1-CE 3.07Å; L516-M520 HydrophobicContact CD1-CG 4.23Å; L516-M520 HydrophobicContact CD1-SD 3.81Å; L516-M520 HydrophobicContact CG-CG 4.45Å; L516-M520 WeakPolarHBondContact O-CG 3.22Å; L516-M520 PolarHBondContact O-N 3Å; T517-M520 PolarHBondContact O-N 2.92Å; M520-T522 PolarHBondContact O-N 2.84Å; M520-H523 WeakPolarHBondContact O-CB 3.49Å; M520-H523 PolarHBondContact O-N 3.5Å; M520-T524 PolarHBondContact O-N 2.48Å |
| 521 | R | 93.5 | Very high | 92.6 | Very high | 54 Ų | 54 | 61.7 Ų | 61.7 | 20% | 0.204 | 34% | 0.339 | C | S | . | . | H | α-helix | trans | -65 | -16.3 | 171.1 | -62.6 | -161.4 | 179.6 | 112.3 | 16.4 | 115.4 | H519 H523 G525 E526 A539 | H519-R521 PolarHBondContact O-N 2.78Å; H519-R521 VanDerWaalsContact O-N 3.08Å; R521-H523 VanDerWaalsContact C-N 3.3Å; R521-G525 WeakPolarHBondContact O-CA 3.46Å; R521-G525 PolarHBondContact O-N 3.23Å; R521-E526 HydrophobicContact CB-CB 4.16Å; R521-E526 HydrophobicContact CG-CB 3.85Å; R521-E526 IonicContact NE-OE2 3.18Å; R521-E526 PolarHBondContact NE-OE2 3.07Å; R521-E526 PolarHBondContact O-N 2.86Å; R521-A539 HydrophobicContact CB-CB 4.41Å; R521-A539 PolarHBondContact NH1-O 2.91Å; R521-A539 VanDerWaalsContact NH1-O 3.16Å |
| 522 | T | 92.2 | Very high | 92.6 | Very high | 99 Ų | 99 | 65.9 Ų | 65.9 | 61% | 0.607 | 36% | 0.359 | S | S | * | . | H | α-helix | trans | -79.7 | -15.4 | 170.2 | 70.1 | 0 | 0 | 0 | 0 | 112.5 | H519 M520 | H519-T522 PolarHBondContact CE1-OG1 3.47Å; H519-T522 PolarHBondContact ND1-OG1 2.95Å; H519-T522 WeakPolarHBondContact O-CB 3.45Å; H519-T522 PolarHBondContact O-N 3.39Å; H519-T522 PolarHBondContact O-OG1 2.6Å; M520-T522 PolarHBondContact O-N 2.84Å |
| 523 | H | 92.5 | Very high | 92.6 | Very high | 74 Ų | 74 | 69.4 Ų | 69.4 | 34% | 0.343 | 38% | 0.379 | S | S | . | . | H | α-helix | trans | -94.8 | -49.2 | 172.6 | -61 | -57 | 0 | 0 | 0 | 111.3 | C503 E505 C506 H519 M520 R521 G525 | C503-H523 PolarHBondContact SG-NE2 3.03Å; E505-H523 VanDerWaalsContact OE1-CB 3.32Å; E505-H523 WeakPolarHBondContact OE1-CB 3.27Å; E505-H523 IonicContact OE1-CD2 2.79Å; E505-H523 IonicContact OE1-CG 3.63Å; E505-H523 WeakPolarHBondContact OE2-CB 3.49Å; E505-H523 IonicContact OE2-CG 2.74Å; C506-H523 WeakPolarHBondContact CB-CE1 3.46Å; C506-H523 PolarHBondContact SG-CE1 2.65Å; C506-H523 PolarHBondContact SG-NE2 3.07Å; H519-H523 AromaticContact CD2-NE2 3.62Å; H519-H523 AromaticContact CE1-CD2 3.96Å; H519-H523 AromaticContact CE1-NE2 2.84Å; H519-H523 PolarHBondContact CE1-NE2 2.82Å; H519-H523 AromaticContact ND1-NE2 3.9Å; H519-H523 AromaticContact NE2-NE2 2.6Å; H519-H523 PolarHBondContact NE2-NE2 3.44Å; M520-H523 WeakPolarHBondContact O-CB 3.49Å; M520-H523 PolarHBondContact O-N 3.5Å; R521-H523 VanDerWaalsContact C-N 3.3Å; H523-G525 PolarHBondContact O-N 2.76Å |
| 524 | T | 91.3 | Very high | 92.6 | Very high | 82 Ų | 82 | 69.2 Ų | 69.2 | 50% | 0.503 | 38% | 0.377 | S | S | . | . | H | α-helix | trans | -72.6 | -10.9 | 178.4 | 66.2 | 0 | 0 | 0 | 0 | 114.2 | M520 E526 | M520-T524 PolarHBondContact O-N 2.48Å; T524-E526 PolarHBondContact O-N 3.46Å; T524-E526 WeakPolarHBondContact OG1-CB 3.17Å; T524-E526 WeakPolarHBondContact OG1-CG 3.42Å |
| 525 | G | 90.2 | Very high | 92.7 | Very high | 51 Ų | 51 | 68.4 Ų | 68.4 | 53% | 0.526 | 39% | 0.386 | S | S | . | . | | | trans | 69.5 | 5.6 | -175.7 | 0 | 0 | 0 | 0 | 0 | 114.7 | R521 H523 R527 | R521-G525 WeakPolarHBondContact O-CA 3.46Å; R521-G525 PolarHBondContact O-N 3.23Å; H523-G525 PolarHBondContact O-N 2.76Å; G525-R527 WeakPolarHBondContact O-CG 3.31Å; G525-R527 PolarHBondContact O-N 2.91Å |
| 526 | E | 92.5 | Very high | 92.6 | Very high | 100 Ų | 100 | 72.4 Ų | 72.4 | 47% | 0.467 | 40% | 0.398 | S | S | . | . | | | trans | -59.9 | 127.9 | -175.6 | -91.3 | 179.9 | -142 | 0 | 0 | 113.9 | R521 T524 P528 | R521-E526 HydrophobicContact CB-CB 4.16Å; R521-E526 HydrophobicContact CG-CB 3.85Å; R521-E526 IonicContact NE-OE2 3.18Å; R521-E526 PolarHBondContact NE-OE2 3.07Å; R521-E526 PolarHBondContact O-N 2.86Å; T524-E526 PolarHBondContact O-N 3.46Å; T524-E526 WeakPolarHBondContact OG1-CB 3.17Å; T524-E526 WeakPolarHBondContact OG1-CG 3.42Å; E526-P528 VanDerWaalsContact C-CD 3.45Å; E526-P528 WeakPolarHBondContact O-CD 3.49Å |
| 527 | R | 92 | Very high | 92.5 | Very high | 121 Ų | 121 | 72.8 Ų | 72.8 | 46% | 0.457 | 40% | 0.403 | S | S | . | . | | | trans | -128.8 | 58.6 | -179.8 | -64.2 | 165.8 | 76.9 | 110.9 | 13.9 | 112.3 | G525 F529 S537 F538 | G525-R527 WeakPolarHBondContact O-CG 3.31Å; G525-R527 PolarHBondContact O-N 2.91Å; R527-F529 PolarHBondContact O-N 3.39Å; R527-S537 WeakPolarHBondContact CB-OG 3.26Å; R527-S537 PolarHBondContact NE-O 3.04Å; R527-S537 VanDerWaalsContact NE-O 3.11Å; R527-S537 PolarHBondContact NE-OG 3.16Å; R527-S537 PolarHBondContact NH2-O 2.98Å; R527-S537 WeakPolarHBondContact O-CB 3.31Å; R527-F538 CarbonylContact C-O 3.21Å; R527-F538 VanDerWaalsContact CA-O 3.3Å; R527-F538 WeakPolarHBondContact CA-O 3.31Å |
| 528 | P | 91.6 | Very high | 92.5 | Very high | 72 Ų | 72 | 70.2 Ų | 70.2 | 47% | 0.468 | 39% | 0.385 | S | S | . | . | B | Isolated β-bridge | trans | -65.6 | -11.1 | -168 | 26.9 | -36.4 | 0 | 0 | 0 | 115.3 | E526 V530 | E526-P528 VanDerWaalsContact C-CD 3.45Å; E526-P528 WeakPolarHBondContact O-CD 3.49Å; P528-V530 PolarHBondContact O-N 2.93Å |
| 529 | F | 93.5 | Very high | 92.5 | Very high | 64 Ų | 64 | 69 Ų | 69 | 28% | 0.281 | 38% | 0.38 | S | S | . | . | | | trans | -97.5 | 79.2 | -178.9 | -57.2 | -73.3 | 0 | 0 | 0 | 111.7 | R527 F538 A539 R544 | R527-F529 PolarHBondContact O-N 3.39Å; F529-F538 HydrophobicContact CB-CB 4.29Å; F529-F538 WeakPolarHBondContact CB-O 3.49Å; F529-F538 PolarHBondContact N-O 2.91Å; F529-F538 WeakPolarHBondContact O-CD2 3.46Å; F529-F538 PolarHBondContact O-N 2.83Å; F529-A539 WeakPolarHBondContact CE2-O 3.15Å; F529-R544 HydrophobicContact CB-CB 4.07Å |
| 530 | V | 92.4 | Very high | 92.4 | Very high | 73 Ų | 73 | 73.2 Ų | 73.2 | 44% | 0.442 | 40% | 0.395 | S | S | . | . | | | trans | -67.3 | 133.2 | 173.8 | 178.3 | 0 | 0 | 0 | 0 | 111.4 | P528 R544 | P528-V530 PolarHBondContact O-N 2.93Å; V530-R544 WeakPolarHBondContact O-CD 3.27Å; V530-R544 PolarHBondContact O-NH1 2.97Å |
| 531 | C | 95 | Very high | 92.4 | Very high | 0 Ų | 0 | 72.8 Ų | 72.8 | 0% | 0 | 40% | 0.397 | C | S | . | . | | | trans | -80.4 | 115.8 | 175.3 | -176.9 | 0 | 0 | 0 | 0 | 111.9 | I533 C534 G535 R536 F538 R544 H547 | C531-I533 PolarHBondContact O-N 2.87Å; C531-C534 PolarHBondContact O-N 2.86Å; C531-C534 VanDerWaalsContact O-N 3.14Å; C531-C534 VanDerWaalsContact SG-SG 3.64Å; C531-G535 PolarHBondContact O-N 3.11Å; C531-R536 VanDerWaalsContact CB-O 3.27Å; C531-R536 WeakPolarHBondContact CB-O 3.4Å; C531-R536 PolarHBondContact N-O 2.86Å; C531-F538 HydrophobicContact CB-CE2 4.11Å; C531-R544 HydrophobicContact CB-CG 4.34Å; C531-H547 PolarHBondContact SG-CD2 3.48Å |
| 532 | D | 91.9 | Very high | 92.3 | Very high | 126 Ų | 126 | 72 Ų | 72 | 67% | 0.674 | 40% | 0.397 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.8 | -13.3 | -172.6 | -35.5 | -53.4 | 0 | 0 | 0 | 114.5 | R544 | D532-R544 IonicContact OD1-CZ 2.66Å; D532-R544 IonicContact OD1-NH1 2.75Å; D532-R544 PolarHBondContact OD1-NH1 3.04Å; D532-R544 IonicContact OD2-CZ 3.69Å; D532-R544 IonicContact OD2-NH1 3.66Å; D532-R544 PolarHBondContact OD2-NH1 3.32Å; D532-R544 IonicContact OD2-NH2 3.42Å |
| 533 | I | 91.6 | Very high | 92.4 | Very high | 111 Ų | 111 | 69 Ų | 69 | 57% | 0.569 | 38% | 0.376 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -100.5 | -22.2 | -177 | -59.3 | 170.6 | 0 | 0 | 0 | 112.6 | C531 H551 | C531-I533 PolarHBondContact O-N 2.87Å; I533-H551 HydrophobicContact CD1-CB 3.7Å; I533-H551 HydrophobicContact CG2-CB 3.98Å |
| 534 | C | 93.8 | Very high | 92.5 | Very high | 61 Ų | 61 | 68.6 Ų | 68.6 | 41% | 0.412 | 37% | 0.372 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -146.3 | 7.9 | -171.1 | 68.3 | 0 | 0 | 0 | 0 | 115.3 | C531 R536 H547 H551 | C531-C534 PolarHBondContact O-N 2.86Å; C531-C534 VanDerWaalsContact O-N 3.14Å; C531-C534 VanDerWaalsContact SG-SG 3.64Å; C534-R536 PolarHBondContact O-N 2.86Å; C534-H547 PolarHBondContact SG-NE2 3.44Å; C534-H551 PolarHBondContact SG-NE2 3.33Å |
| 535 | G | 91.8 | Very high | 92.6 | Very high | 54 Ų | 54 | 70.4 Ų | 70.4 | 56% | 0.557 | 37% | 0.372 | S | S | * | . | | | trans | 68.4 | -7.1 | -178.5 | 0 | 0 | 0 | 0 | 0 | 115.7 | C531 S537 | C531-G535 PolarHBondContact O-N 3.11Å; G535-S537 PolarHBondContact O-N 2.8Å |
| 536 | R | 91.7 | Very high | 92.7 | Very high | 154 Ų | 154 | 74.4 Ų | 74.4 | 58% | 0.581 | 37% | 0.372 | S | S | * | . | | | trans | -67.7 | 125.3 | -175.2 | -168.2 | 170.3 | -170.9 | 157.6 | 7.4 | 111.8 | C531 C534 F538 | C531-R536 VanDerWaalsContact CB-O 3.27Å; C531-R536 WeakPolarHBondContact CB-O 3.4Å; C531-R536 PolarHBondContact N-O 2.86Å; C534-R536 PolarHBondContact O-N 2.86Å; R536-F538 HydrophobicContact CB-CE2 4Å; R536-F538 HydrophobicContact CB-CZ 4.35Å; R536-F538 HydrophobicContact CG-CE2 3.91Å; R536-F538 HydrophobicContact CG-CZ 3.9Å; R536-F538 VanDerWaalsContact O-CD2 3.28Å; R536-F538 WeakPolarHBondContact O-CD2 3.4Å; R536-F538 WeakPolarHBondContact O-CE2 3.45Å |
| 537 | S | 93.3 | Very high | 92.7 | Very high | 39 Ų | 39 | 71.3 Ų | 71.3 | 27% | 0.273 | 36% | 0.357 | S | S | . | . | | | trans | -86.6 | 147.8 | -178.5 | 64.8 | 0 | 0 | 0 | 0 | 113.1 | R527 G535 | R527-S537 WeakPolarHBondContact CB-OG 3.26Å; R527-S537 PolarHBondContact NE-O 3.04Å; R527-S537 VanDerWaalsContact NE-O 3.11Å; R527-S537 PolarHBondContact NE-OG 3.16Å; R527-S537 PolarHBondContact NH2-O 2.98Å; R527-S537 WeakPolarHBondContact O-CB 3.31Å; G535-S537 PolarHBondContact O-N 2.8Å |
| 538 | F | 92.4 | Very high | 92.6 | Very high | 26 Ų | 26 | 67.4 Ų | 67.4 | 11% | 0.114 | 35% | 0.347 | C | S | . | . | B | Isolated β-bridge | trans | -138.4 | 149.2 | -179.1 | -64.3 | -89 | 0 | 0 | 0 | 112 | R527 F529 C531 R536 E543 R544 H547 | R527-F538 CarbonylContact C-O 3.21Å; R527-F538 VanDerWaalsContact CA-O 3.3Å; R527-F538 WeakPolarHBondContact CA-O 3.31Å; F529-F538 HydrophobicContact CB-CB 4.29Å; F529-F538 WeakPolarHBondContact CB-O 3.49Å; F529-F538 PolarHBondContact N-O 2.91Å; F529-F538 WeakPolarHBondContact O-CD2 3.46Å; F529-F538 PolarHBondContact O-N 2.83Å; C531-F538 HydrophobicContact CB-CE2 4.11Å; R536-F538 HydrophobicContact CB-CE2 4Å; R536-F538 HydrophobicContact CB-CZ 4.35Å; R536-F538 HydrophobicContact CG-CE2 3.91Å; R536-F538 HydrophobicContact CG-CZ 3.9Å; R536-F538 VanDerWaalsContact O-CD2 3.28Å; R536-F538 WeakPolarHBondContact O-CD2 3.4Å; R536-F538 WeakPolarHBondContact O-CE2 3.45Å; F538-E543 HydrophobicContact CB-CB 4.12Å; F538-E543 HydrophobicContact CD1-CB 3.79Å; F538-E543 HydrophobicContact CG-CB 4.22Å; F538-R544 HydrophobicContact CB-CB 4.37Å; F538-R544 HydrophobicContact CD2-CB 4.06Å; F538-R544 HydrophobicContact CD2-CG 4.34Å; F538-R544 HydrophobicContact CG-CB 4.37Å; F538-H547 HydrophobicContact CE1-CB 4.16Å; F538-H547 HydrophobicContact CE2-CB 4.04Å; F538-H547 AromaticContact CE2-CD2 3.37Å; F538-H547 WeakPolarHBondContact CE2-CD2 3.4Å; F538-H547 AromaticContact CE2-CG 3.86Å; F538-H547 HydrophobicContact CZ-CB 3.59Å; F538-H547 AromaticContact CZ-CD2 3.37Å; F538-H547 WeakPolarHBondContact CZ-CD2 3.41Å; F538-H547 AromaticContact CZ-CG 3.42Å; F538-H547 VanDerWaalsContact CZ-CG 3.42Å |
| 539 | A | 92.5 | Very high | 92.6 | Very high | 22 Ų | 22 | 70.3 Ų | 70.3 | 18% | 0.182 | 35% | 0.352 | C | S | . | . | S | Bend | trans | -78.4 | -26 | -179.1 | 0 | 0 | 0 | 0 | 0 | 112.9 | R521 F529 E543 | R521-A539 HydrophobicContact CB-CB 4.41Å; R521-A539 PolarHBondContact NH1-O 2.91Å; R521-A539 VanDerWaalsContact NH1-O 3.16Å; F529-A539 WeakPolarHBondContact CE2-O 3.15Å; A539-E543 PolarHBondContact N-OE2 3.21Å |
| 540 | R | 92 | Very high | 92.5 | Very high | 103 Ų | 103 | 71.2 Ų | 71.2 | 39% | 0.389 | 36% | 0.363 | S | S | . | . | S | Bend | trans | -126.8 | 149 | 177.1 | -59.3 | -178.7 | -71.3 | -179.5 | -3.4 | 113.5 | T518 D542 E543 R544 | T518-R540 HydrophobicContact CG2-CG 4.06Å; R540-D542 VanDerWaalsContact C-N 3.3Å; R540-D542 WeakPolarHBondContact CB-OD1 3.34Å; R540-D542 PolarHBondContact O-N 3.35Å; R540-E543 HydrophobicContact CB-CG 4.15Å; R540-E543 IonicContact CZ-OE1 2.74Å; R540-E543 PolarHBondContact N-OE2 2.82Å; R540-E543 IonicContact NE-OE1 3.5Å; R540-E543 PolarHBondContact NE-OE1 3Å; R540-E543 IonicContact NH2-OE1 3.19Å; R540-E543 PolarHBondContact NH2-OE1 2.95Å; R540-E543 WeakPolarHBondContact O-CB 3.46Å; R540-E543 PolarHBondContact O-N 2.73Å; R540-R544 PolarHBondContact O-N 2.72Å |
| 541 | S | 92.8 | Very high | 92.2 | Very high | 42 Ų | 42 | 69.3 Ų | 69.3 | 29% | 0.294 | 35% | 0.349 | S | S | . | . | H | α-helix | trans | -70.4 | -24.8 | -175.4 | 85.6 | 0 | 0 | 0 | 0 | 113.8 | K545 | S541-K545 VanDerWaalsContact O-CD 3.31Å; S541-K545 WeakPolarHBondContact O-CD 3.18Å; S541-K545 WeakPolarHBondContact O-CG 3.49Å; S541-K545 PolarHBondContact O-N 3.4Å; S541-K545 VanDerWaalsContact O-N 3.12Å; S541-K545 PolarHBondContact OG-NZ 3.22Å |
| 542 | D | 91.9 | Very high | 91.5 | Very high | 37 Ų | 37 | 76.1 Ų | 76.1 | 20% | 0.198 | 38% | 0.381 | C | S | . | . | H | α-helix | trans | -75.6 | -36.5 | 176.6 | 74.2 | -60.3 | 0 | 0 | 0 | 111.3 | Y14 R540 R544 K545 R546 | Y14-D542 PolarHBondContact OH-OD2 3.19Å; R540-D542 VanDerWaalsContact C-N 3.3Å; R540-D542 WeakPolarHBondContact CB-OD1 3.34Å; R540-D542 PolarHBondContact O-N 3.35Å; D542-R544 VanDerWaalsContact C-N 3.33Å; D542-R544 PolarHBondContact O-N 3.07Å; D542-K545 CarbonylContact O-C 3.19Å; D542-K545 PolarHBondContact O-N 3.49Å; D542-R546 VanDerWaalsContact O-CB 3.27Å; D542-R546 WeakPolarHBondContact O-CB 3.2Å; D542-R546 PolarHBondContact O-N 3.31Å; D542-R546 IonicContact OD2-CZ 3.67Å; D542-R546 IonicContact OD2-NH2 3.73Å; D542-R546 PolarHBondContact OD2-NH2 3.4Å |
| 543 | E | 93.1 | Very high | 90.5 | Very high | 37 Ų | 37 | 77.4 Ų | 77.4 | 17% | 0.173 | 38% | 0.38 | C | S | . | . | H | α-helix | trans | -58.3 | -47 | 172 | -65.1 | 164.8 | 171.7 | 0 | 0 | 110.7 | F538 A539 R540 R546 H547 | F538-E543 HydrophobicContact CB-CB 4.12Å; F538-E543 HydrophobicContact CD1-CB 3.79Å; F538-E543 HydrophobicContact CG-CB 4.22Å; A539-E543 PolarHBondContact N-OE2 3.21Å; R540-E543 HydrophobicContact CB-CG 4.15Å; R540-E543 IonicContact CZ-OE1 2.74Å; R540-E543 PolarHBondContact N-OE2 2.82Å; R540-E543 IonicContact NE-OE1 3.5Å; R540-E543 PolarHBondContact NE-OE1 3Å; R540-E543 IonicContact NH2-OE1 3.19Å; R540-E543 PolarHBondContact NH2-OE1 2.95Å; R540-E543 WeakPolarHBondContact O-CB 3.46Å; R540-E543 PolarHBondContact O-N 2.73Å; E543-R546 WeakPolarHBondContact O-CB 3.06Å; E543-R546 PolarHBondContact O-N 3.27Å; E543-H547 WeakPolarHBondContact O-CB 3.43Å; E543-H547 PolarHBondContact O-N 3.14Å |
| 544 | R | 95.2 | Very high | 89 | Confident | 66 Ų | 66 | 76.1 Ų | 76.1 | 25% | 0.249 | 38% | 0.381 | C | S | . | . | H | α-helix | trans | -57.3 | -49.8 | 172.1 | -174.2 | 178.4 | 79.2 | 138.6 | 12.2 | 111.9 | F529 V530 C531 D532 F538 R540 D542 R546 H547 T548 | F529-R544 HydrophobicContact CB-CB 4.07Å; V530-R544 WeakPolarHBondContact O-CD 3.27Å; V530-R544 PolarHBondContact O-NH1 2.97Å; C531-R544 HydrophobicContact CB-CG 4.34Å; D532-R544 IonicContact OD1-CZ 2.66Å; D532-R544 IonicContact OD1-NH1 2.75Å; D532-R544 PolarHBondContact OD1-NH1 3.04Å; D532-R544 IonicContact OD2-CZ 3.69Å; D532-R544 IonicContact OD2-NH1 3.66Å; D532-R544 PolarHBondContact OD2-NH1 3.32Å; D532-R544 IonicContact OD2-NH2 3.42Å; F538-R544 HydrophobicContact CB-CB 4.37Å; F538-R544 HydrophobicContact CD2-CB 4.06Å; F538-R544 HydrophobicContact CD2-CG 4.34Å; F538-R544 HydrophobicContact CG-CB 4.37Å; R540-R544 PolarHBondContact O-N 2.72Å; D542-R544 VanDerWaalsContact C-N 3.33Å; D542-R544 PolarHBondContact O-N 3.07Å; R544-R546 VanDerWaalsContact C-N 3.27Å; R544-R546 PolarHBondContact O-N 2.85Å; R544-H547 CarbonylContact O-C 3.24Å; R544-H547 PolarHBondContact O-N 3.4Å; R544-H547 VanDerWaalsContact O-N 3.15Å; R544-T548 PolarHBondContact O-N 3.06Å; R544-T548 PolarHBondContact O-OG1 2.83Å |
| 545 | K | 92.7 | Very high | 87.3 | Confident | 119 Ų | 119 | 79.8 Ų | 79.8 | 52% | 0.517 | 40% | 0.397 | S | S | . | . | H | α-helix | trans | -62.9 | -31.4 | 178.5 | -70.5 | 159.6 | -173.2 | 153.7 | 0 | 112.9 | S541 D542 T548 | S541-K545 VanDerWaalsContact O-CD 3.31Å; S541-K545 WeakPolarHBondContact O-CD 3.18Å; S541-K545 WeakPolarHBondContact O-CG 3.49Å; S541-K545 PolarHBondContact O-N 3.4Å; S541-K545 VanDerWaalsContact O-N 3.12Å; S541-K545 PolarHBondContact OG-NZ 3.22Å; D542-K545 CarbonylContact O-C 3.19Å; D542-K545 PolarHBondContact O-N 3.49Å; K545-T548 PolarHBondContact O-OG1 3.25Å; K545-T548 VanDerWaalsContact O-OG1 3.13Å |
| 546 | R | 92.7 | Very high | 85.4 | Confident | 136 Ų | 136 | 84.5 Ų | 84.5 | 51% | 0.513 | 40% | 0.404 | S | S | . | . | H | α-helix | trans | -73 | -37.3 | 175.8 | -155.9 | -171.3 | -42.3 | 121.6 | 5.4 | 110.4 | D542 E543 R544 | D542-R546 VanDerWaalsContact O-CB 3.27Å; D542-R546 WeakPolarHBondContact O-CB 3.2Å; D542-R546 PolarHBondContact O-N 3.31Å; D542-R546 IonicContact OD2-CZ 3.67Å; D542-R546 IonicContact OD2-NH2 3.73Å; D542-R546 PolarHBondContact OD2-NH2 3.4Å; E543-R546 WeakPolarHBondContact O-CB 3.06Å; E543-R546 PolarHBondContact O-N 3.27Å; R544-R546 VanDerWaalsContact C-N 3.27Å; R544-R546 PolarHBondContact O-N 2.85Å |
| 547 | H | 93.1 | Very high | 83 | Confident | 35 Ų | 35 | 85.7 Ų | 85.7 | 16% | 0.162 | 41% | 0.413 | C | S | . | . | H | α-helix | trans | -72.3 | -39.1 | 175.5 | 176.6 | 55 | 0 | 0 | 0 | 113.3 | C531 C534 F538 E543 R544 K549 V550 H551 | C531-H547 PolarHBondContact SG-CD2 3.48Å; C534-H547 PolarHBondContact SG-NE2 3.44Å; F538-H547 HydrophobicContact CE1-CB 4.16Å; F538-H547 HydrophobicContact CE2-CB 4.04Å; F538-H547 AromaticContact CE2-CD2 3.37Å; F538-H547 WeakPolarHBondContact CE2-CD2 3.4Å; F538-H547 AromaticContact CE2-CG 3.86Å; F538-H547 HydrophobicContact CZ-CB 3.59Å; F538-H547 AromaticContact CZ-CD2 3.37Å; F538-H547 WeakPolarHBondContact CZ-CD2 3.41Å; F538-H547 AromaticContact CZ-CG 3.42Å; F538-H547 VanDerWaalsContact CZ-CG 3.42Å; E543-H547 WeakPolarHBondContact O-CB 3.43Å; E543-H547 PolarHBondContact O-N 3.14Å; R544-H547 CarbonylContact O-C 3.24Å; R544-H547 PolarHBondContact O-N 3.4Å; R544-H547 VanDerWaalsContact O-N 3.15Å; H547-K549 PolarHBondContact O-N 3.09Å; H547-V550 WeakPolarHBondContact O-CA 3.35Å; H547-V550 WeakPolarHBondContact O-CB 3.24Å; H547-V550 WeakPolarHBondContact O-CG2 3.31Å; H547-V550 PolarHBondContact O-N 2.92Å; H547-H551 AromaticContact CD2-NE2 3.99Å; H547-H551 AromaticContact CE1-NE2 3.54Å; H547-H551 AromaticContact NE2-NE2 3.19Å; H547-H551 PolarHBondContact NE2-NE2 3.23Å; H547-H551 VanDerWaalsContact NE2-NE2 3.19Å |
| 548 | T | 90.2 | Very high | 80.3 | Confident | 39 Ų | 39 | 91.7 Ų | 91.7 | 24% | 0.239 | 44% | 0.442 | C | S | . | . | H | α-helix | trans | -62.9 | -26.9 | 176 | 53.2 | 0 | 0 | 0 | 0 | 112.9 | R544 K545 V550 H551 Q552 | R544-T548 PolarHBondContact O-N 3.06Å; R544-T548 PolarHBondContact O-OG1 2.83Å; K545-T548 PolarHBondContact O-OG1 3.25Å; K545-T548 VanDerWaalsContact O-OG1 3.13Å; T548-V550 PolarHBondContact O-N 3.39Å; T548-H551 PolarHBondContact O-N 3.47Å; T548-Q552 PolarHBondContact O-N 2.64Å; T548-Q552 VanDerWaalsContact O-N 3.09Å |
| 549 | K | 91.5 | Very high | 77.5 | Confident | 133 Ų | 133 | 94.8 Ų | 94.8 | 58% | 0.578 | 47% | 0.467 | S | S | * | . | H | α-helix | trans | -65.4 | -18.4 | 169.1 | -68.1 | 180 | 179.1 | -173.4 | 0 | 113.9 | H547 K553 | H547-K549 PolarHBondContact O-N 3.09Å; K549-K553 WeakPolarHBondContact O-CG 2.86Å; K549-K553 PolarHBondContact O-N 3.09Å |
| 550 | V | 90.4 | Very high | 74.7 | Confident | 83 Ų | 83 | 100.1 Ų | 100.1 | 50% | 0.503 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -72.3 | -44.2 | 171.5 | -174.8 | 0 | 0 | 0 | 0 | 109.6 | H547 T548 Q552 K553 S554 | H547-V550 WeakPolarHBondContact O-CA 3.35Å; H547-V550 WeakPolarHBondContact O-CB 3.24Å; H547-V550 WeakPolarHBondContact O-CG2 3.31Å; H547-V550 PolarHBondContact O-N 2.92Å; T548-V550 PolarHBondContact O-N 3.39Å; V550-Q552 VanDerWaalsContact C-N 3.32Å; V550-Q552 PolarHBondContact O-N 3.13Å; V550-K553 CarbonylContact O-C 3.53Å; V550-K553 WeakPolarHBondContact O-CA 3.38Å; V550-K553 WeakPolarHBondContact O-CB 3.39Å; V550-K553 PolarHBondContact O-N 3.33Å; V550-S554 PolarHBondContact O-N 2.84Å |
| 551 | H | 87.2 | Confident | 72 | Confident | 33 Ų | 33 | 99.8 Ų | 99.8 | 15% | 0.153 | 51% | 0.505 | C | S | . | . | H | α-helix | trans | -63.9 | -35.5 | 174.9 | -62.3 | -53.3 | 0 | 0 | 0 | 112.7 | I533 C534 H547 T548 K553 S554 N555 | I533-H551 HydrophobicContact CD1-CB 3.7Å; I533-H551 HydrophobicContact CG2-CB 3.98Å; C534-H551 PolarHBondContact SG-NE2 3.33Å; H547-H551 AromaticContact CD2-NE2 3.99Å; H547-H551 AromaticContact CE1-NE2 3.54Å; H547-H551 AromaticContact NE2-NE2 3.19Å; H547-H551 PolarHBondContact NE2-NE2 3.23Å; H547-H551 VanDerWaalsContact NE2-NE2 3.19Å; T548-H551 PolarHBondContact O-N 3.47Å; H551-K553 VanDerWaalsContact C-N 3.26Å; H551-K553 PolarHBondContact O-N 3.38Å; H551-S554 WeakPolarHBondContact CA-OG 3.5Å; H551-S554 PolarHBondContact O-N 2.77Å; H551-S554 PolarHBondContact O-OG 2.97Å; H551-S554 VanDerWaalsContact O-OG 3.13Å; H551-N555 PolarHBondContact O-N 2.81Å; H551-N555 PolarHBondContact O-ND2 3.47Å |
| 552 | Q | 80.5 | Confident | 69.3 | Low | 143 Ų | 143 | 104.9 Ų | 104.9 | 67% | 0.668 | 53% | 0.528 | S | S | * | . | H | α-helix | trans | -62 | -34.6 | 171.4 | -169.3 | -180 | 7.9 | 0 | 0 | 112.1 | T548 V550 | T548-Q552 PolarHBondContact O-N 2.64Å; T548-Q552 VanDerWaalsContact O-N 3.09Å; V550-Q552 VanDerWaalsContact C-N 3.32Å; V550-Q552 PolarHBondContact O-N 3.13Å |
| 553 | K | 70.3 | Confident | 67.1 | Low | 153 Ų | 153 | 110.1 Ų | 110.1 | 67% | 0.665 | 56% | 0.556 | S | S | * | * | H | α-helix | trans | -81.1 | -33.7 | 178.3 | -73.3 | 178.8 | 176.2 | -169.3 | 0 | 113.6 | K549 V550 H551 N555 Q556 | K549-K553 WeakPolarHBondContact O-CG 2.86Å; K549-K553 PolarHBondContact O-N 3.09Å; V550-K553 CarbonylContact O-C 3.53Å; V550-K553 WeakPolarHBondContact O-CA 3.38Å; V550-K553 WeakPolarHBondContact O-CB 3.39Å; V550-K553 PolarHBondContact O-N 3.33Å; H551-K553 VanDerWaalsContact C-N 3.26Å; H551-K553 PolarHBondContact O-N 3.38Å; K553-N555 PolarHBondContact O-N 3.38Å; K553-Q556 WeakPolarHBondContact O-CB 3.19Å; K553-Q556 PolarHBondContact O-N 3.38Å |
| 554 | S | 60.8 | Low | 64.3 | Low | 83 Ų | 83 | 117.4 Ų | 117.4 | 58% | 0.58 | 59% | 0.587 | S | S | * | * | H | α-helix | trans | -69.7 | -17.3 | 177.1 | 60.8 | 0 | 0 | 0 | 0 | 113.4 | V550 H551 Q556 | V550-S554 PolarHBondContact O-N 2.84Å; H551-S554 WeakPolarHBondContact CA-OG 3.5Å; H551-S554 PolarHBondContact O-N 2.77Å; H551-S554 PolarHBondContact O-OG 2.97Å; H551-S554 VanDerWaalsContact O-OG 3.13Å; S554-Q556 VanDerWaalsContact C-N 3.26Å |
| 555 | N | 56.5 | Low | 61.7 | Low | 139 Ų | 139 | 119.4 Ų | 119.4 | 74% | 0.743 | 61% | 0.606 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -77.7 | -7.7 | 168.1 | -77.9 | -84.2 | 0 | 0 | 0 | 113.3 | H551 K553 K557 | H551-N555 PolarHBondContact O-N 2.81Å; H551-N555 PolarHBondContact O-ND2 3.47Å; K553-N555 PolarHBondContact O-N 3.38Å; N555-K557 PolarHBondContact O-N 2.94Å |
| 556 | Q | 53.5 | Low | 58.8 | Low | 153 Ų | 153 | 121.1 Ų | 121.1 | 72% | 0.715 | 62% | 0.621 | S | S | * | * | S | Bend | trans | -93.8 | 93.8 | 167.4 | -66.7 | -176.9 | -29.9 | 0 | 0 | 109 | K553 S554 L558 | K553-Q556 WeakPolarHBondContact O-CB 3.19Å; K553-Q556 PolarHBondContact O-N 3.38Å; S554-Q556 VanDerWaalsContact C-N 3.26Å; Q556-L558 PolarHBondContact O-N 3Å; Q556-L558 VanDerWaalsContact O-N 3.09Å |
| 557 | K | 41.1 | Very low | 56.3 | Low | 178 Ų | 178 | 119.9 Ų | 119.9 | 77% | 0.774 | 63% | 0.628 | S | S | * | * | | | trans | -11.8 | 98.3 | 171.1 | -171.2 | 179.7 | -176.2 | 179.8 | 0 | 114.3 | N555 S559 | N555-K557 PolarHBondContact O-N 2.94Å; K557-S559 PolarHBondContact O-N 2.92Å |
| 558 | L | 36.5 | Very low | 53.5 | Low | 166 Ų | 166 | 124.3 Ų | 124.3 | 87% | 0.869 | 66% | 0.658 | S | S | * | * | | | trans | -76.5 | 65.6 | 174.1 | -170.1 | 71.4 | 0 | 0 | 0 | 110.5 | Q556 N560 | Q556-L558 PolarHBondContact O-N 3Å; Q556-L558 VanDerWaalsContact O-N 3.09Å; L558-N560 VanDerWaalsContact C-N 3.28Å; L558-N560 PolarHBondContact O-N 3.19Å |
| 559 | S | 33.6 | Very low | 51.2 | Low | 91 Ų | 91 | 132.9 Ų | 132.9 | 64% | 0.636 | 69% | 0.686 | S | S | * | * | | | trans | -88.9 | 60.9 | 175.1 | 57.9 | 0 | 0 | 0 | 0 | 111.5 | K557 | K557-S559 PolarHBondContact O-N 2.92Š|
| 560 | N | 33.6 | Very low | 48.4 | Very low | 134 Ų | 134 | 131 Ų | 131 | 72% | 0.717 | 69% | 0.689 | S | S | * | * | S | Bend | trans | -160 | 157.5 | 154.4 | -151.4 | -9.6 | 0 | 0 | 0 | 111.4 | L558 | L558-N560 VanDerWaalsContact C-N 3.28Å; L558-N560 PolarHBondContact O-N 3.19Å |
| 561 | C | 35.4 | Very low | 45.7 | Very low | 96 Ų | 96 | 132.5 Ų | 132.5 | 65% | 0.649 | 70% | 0.701 | S | S | * | * | | | trans | 69.3 | 79.8 | 174.5 | -56.2 | 0 | 0 | 0 | 0 | 117 | L563 | C561-L563 PolarHBondContact O-N 3.12Š|
| 562 | D | 34.7 | Very low | 43.2 | Very low | 148 Ų | 148 | 138.6 Ų | 138.6 | 79% | 0.791 | 73% | 0.733 | S | S | * | * | | | trans | -57.9 | 96.9 | 151.4 | -82 | -86.9 | 0 | 0 | 0 | 111.3 | | |
| 563 | L | 46.3 | Very low | 40.9 | Very low | 147 Ų | 147 | 137.9 Ų | 137.9 | 77% | 0.77 | 74% | 0.738 | S | S | * | * | | | trans | -114.1 | 92.7 | 158.6 | -100.3 | 82.3 | 0 | 0 | 0 | 109.7 | C561 V565 | C561-L563 PolarHBondContact O-N 3.12Å; L563-V565 PolarHBondContact O-N 3.04Å |
| 564 | K | 35.3 | Very low | 39.3 | Very low | 190 Ų | 190 | 135.8 Ų | 135.8 | 83% | 0.826 | 74% | 0.743 | S | S | * | * | | | trans | -70.2 | 95.7 | 172.2 | -69.1 | 177.4 | 179.9 | 174.1 | 0 | 110.1 | | |
| 565 | V | 40.3 | Very low | 38.2 | Very low | 109 Ų | 109 | 138.3 Ų | 138.3 | 66% | 0.661 | 76% | 0.755 | S | S | * | * | | | trans | -120.6 | 89.3 | 170.7 | -171.9 | 0 | 0 | 0 | 0 | 109.1 | L563 V567 | L563-V565 PolarHBondContact O-N 3.04Å; V565-V567 HydrophobicContact CG1-CG2 4.14Å; V565-V567 PolarHBondContact O-N 3.01Å |
| 566 | N | 31.3 | Very low | 37.2 | Very low | 155 Ų | 155 | 136.2 Ų | 136.2 | 83% | 0.829 | 75% | 0.751 | S | S | * | * | | | trans | -70.5 | 111.4 | 172.6 | -79.5 | -0.5 | 0 | 0 | 0 | 109.8 | | |
| 567 | V | 40.2 | Very low | 36.5 | Very low | 109 Ų | 109 | 136.2 Ų | 136.2 | 66% | 0.661 | 76% | 0.756 | S | S | * | * | | | trans | -117.3 | 84.1 | 163.4 | -175 | 0 | 0 | 0 | 0 | 108.9 | V565 R569 | V565-V567 HydrophobicContact CG1-CG2 4.14Å; V565-V567 PolarHBondContact O-N 3.01Å; V567-R569 VanDerWaalsContact C-N 3.29Å; V567-R569 HydrophobicContact CG1-CG 4.09Å; V567-R569 PolarHBondContact O-N 3.17Å |
| 568 | T | 33.7 | Very low | 36.6 | Very low | 128 Ų | 128 | 132.6 Ų | 132.6 | 79% | 0.785 | 76% | 0.76 | S | S | * | * | | | trans | -70.1 | 85 | 166.8 | 45.4 | 0 | 0 | 0 | 0 | 109.6 | S570 | T568-S570 PolarHBondContact O-N 3.16Š|
| 569 | R | 41.6 | Very low | 36.7 | Very low | 220 Ų | 220 | 134.8 Ų | 134.8 | 83% | 0.83 | 76% | 0.762 | S | S | * | * | | | trans | -84.4 | 88.2 | 167 | -98.7 | -178.5 | 168.4 | 172.3 | -2.6 | 109.7 | V567 | V567-R569 VanDerWaalsContact C-N 3.29Å; V567-R569 HydrophobicContact CG1-CG 4.09Å; V567-R569 PolarHBondContact O-N 3.17Å |
| 570 | S | 32.6 | Very low | 37.1 | Very low | 92 Ų | 92 | 137.6 Ų | 137.6 | 64% | 0.643 | 78% | 0.776 | S | S | * | * | | | trans | -59.6 | 145.2 | 165.2 | -52.9 | 0 | 0 | 0 | 0 | 110.3 | T568 I572 | T568-S570 PolarHBondContact O-N 3.16Å; S570-I572 PolarHBondContact O-N 3.38Å |
| 571 | P | 34.7 | Very low | 37 | Very low | 115 Ų | 115 | 138.8 Ų | 138.8 | 75% | 0.747 | 78% | 0.782 | S | S | * | * | | | trans | -69 | 121.7 | 175 | 28.6 | -33.2 | 0 | 0 | 0 | 110.1 | T573 | P571-T573 PolarHBondContact O-N 3.12Š|
| 572 | I | 35.6 | Very low | 36.9 | Very low | 161 Ų | 161 | 140.5 Ų | 140.5 | 83% | 0.826 | 79% | 0.793 | S | S | * | * | | | trans | -84.7 | 93.7 | 174.7 | -56.5 | 176.2 | 0 | 0 | 0 | 108.2 | S570 S574 | S570-I572 PolarHBondContact O-N 3.38Å; I572-S574 PolarHBondContact O-N 3.1Å |
| 573 | T | 32 | Very low | 36.7 | Very low | 129 Ų | 129 | 136.9 Ų | 136.9 | 79% | 0.791 | 79% | 0.791 | S | S | * | * | | | trans | -84.1 | 96.2 | 169.2 | 49.8 | 0 | 0 | 0 | 0 | 109.6 | P571 | P571-T573 PolarHBondContact O-N 3.12Š|
| 574 | S | 35.3 | Very low | 36.2 | Very low | 108 Ų | 108 | 139.1 Ų | 139.1 | 76% | 0.755 | 80% | 0.798 | S | S | * | * | | | trans | -93.1 | 93.1 | 175.6 | 57.9 | 0 | 0 | 0 | 0 | 111.3 | I572 | I572-S574 PolarHBondContact O-N 3.1Š|
| 575 | T | 38.8 | Very low | 36.1 | Very low | 137 Ų | 137 | 139.8 Ų | 139.8 | 84% | 0.84 | 80% | 0.801 | S | S | * | * | | | trans | -73.6 | 155.5 | 160.2 | 47.7 | 0 | 0 | 0 | 0 | 110.4 | | |
| 576 | S | 36.2 | Very low | 35.8 | Very low | 95 Ų | 95 | 145.9 Ų | 145.9 | 66% | 0.664 | 81% | 0.812 | S | S | * | * | | | trans | -86.3 | -179 | -172.1 | 49.6 | 0 | 0 | 0 | 0 | 114.3 | | |
| 577 | D | 37.5 | Very low | 35.8 | Very low | 152 Ų | 152 | 143.5 Ų | 143.5 | 81% | 0.813 | 81% | 0.808 | S | S | * | * | | | trans | 81 | 86.1 | 155.4 | -55.1 | -57.9 | 0 | 0 | 0 | 120 | | |
| 578 | A | 43.5 | Very low | 35.6 | Very low | 103 Ų | 103 | 144.9 Ų | 144.9 | 85% | 0.851 | 82% | 0.816 | S | S | * | * | | | trans | -142 | 123.9 | 140.8 | 0 | 0 | 0 | 0 | 0 | 110.1 | | |
| 579 | K | 39 | Very low | 35.7 | Very low | 212 Ų | 212 | 144.1 Ų | 144.1 | 92% | 0.922 | 81% | 0.813 | S | S | * | * | | | trans | -83.7 | 120.8 | 176.5 | -76.2 | 176.8 | 177.2 | 171.2 | 0 | 111.3 | | |
| 580 | T | 42.5 | Very low | 35.3 | Very low | 150 Ų | 150 | 142.6 Ų | 142.6 | 92% | 0.92 | 82% | 0.815 | S | S | * | * | | | trans | -138.6 | 143.6 | 146.2 | 42.1 | 0 | 0 | 0 | 0 | 109.8 | | |
| 581 | N | 31.7 | Very low | 35.5 | Very low | 158 Ų | 158 | 142.8 Ų | 142.8 | 85% | 0.845 | 82% | 0.823 | S | S | * | * | | | trans | -112.3 | 119.8 | -173 | 177.1 | 28 | 0 | 0 | 0 | 110.2 | | |
| 582 | C | 32.8 | Very low | 35.6 | Very low | 132 Ų | 132 | 143.1 Ų | 143.1 | 89% | 0.892 | 82% | 0.822 | S | S | * | * | | | trans | -165.7 | 125.7 | 151 | -119.5 | 0 | 0 | 0 | 0 | 108.9 | | |
| 583 | G | 30.4 | Very low | 35.5 | Very low | 72 Ų | 72 | 143.9 Ų | 143.9 | 74% | 0.742 | 82% | 0.82 | S | S | * | * | | | trans | -106 | 130.2 | 179.4 | 0 | 0 | 0 | 0 | 0 | 111.7 | | |
| 584 | E | 35.6 | Very low | 35.3 | Very low | 195 Ų | 195 | 143.4 Ų | 143.4 | 91% | 0.911 | 82% | 0.821 | S | S | * | * | | | trans | -143.8 | 155.6 | 157.9 | -126.7 | -176.1 | 155.8 | 0 | 0 | 112.4 | R586 | E584-R586 PolarHBondContact O-N 3.27Š|
| 585 | K | 32.2 | Very low | 35.1 | Very low | 204 Ų | 204 | 146.4 Ų | 146.4 | 89% | 0.887 | 82% | 0.816 | S | S | * | * | | | trans | -81.4 | 112.8 | -160.9 | -59.1 | 166.5 | -175.2 | 169.8 | 0 | 111.5 | | |
| 586 | R | 34.3 | Very low | 34.7 | Very low | 236 Ų | 236 | 146.8 Ų | 146.8 | 89% | 0.891 | 81% | 0.813 | S | S | * | * | | | trans | -150.4 | 120.1 | 161.5 | -110 | 158.8 | -151.1 | -168.3 | 5.7 | 114.8 | E584 | E584-R586 PolarHBondContact O-N 3.27Š|
| 587 | S | 32.1 | Very low | 34.5 | Very low | 106 Ų | 106 | 148.9 Ų | 148.9 | 74% | 0.741 | 82% | 0.822 | S | S | * | * | | | trans | 7.8 | 113.5 | 150.9 | 54.5 | 0 | 0 | 0 | 0 | 118.5 | | |
| 588 | V | 36.2 | Very low | 34.3 | Very low | 138 Ų | 138 | 145.7 Ų | 145.7 | 84% | 0.836 | 82% | 0.817 | S | S | * | * | | | trans | -67.1 | 127.8 | 161 | 178 | 0 | 0 | 0 | 0 | 109.2 | | |
| 589 | P | 36.2 | Very low | 33.9 | Very low | 111 Ų | 111 | 149.8 Ų | 149.8 | 72% | 0.721 | 82% | 0.816 | S | S | * | * | | | trans | -70.9 | 138.3 | 171.7 | 29.7 | -33.5 | 0 | 0 | 0 | 110.3 | A591 | P589-A591 PolarHBondContact O-N 2.6Š|
| 590 | Q | 33 | Very low | 33.8 | Very low | 188 Ų | 188 | 148.7 Ų | 148.7 | 88% | 0.879 | 81% | 0.814 | S | S | * | * | | | trans | -65.4 | 103.9 | 174.5 | -73.1 | -178.4 | -16.4 | 0 | 0 | 110.1 | T592 | Q590-T592 PolarHBondContact O-N 2.64Š|
| 591 | A | 35.3 | Very low | 33.2 | Very low | 97 Ų | 97 | 147.3 Ų | 147.3 | 80% | 0.802 | 81% | 0.807 | S | S | * | * | | | trans | -66.1 | 104.5 | 172.2 | 0 | 0 | 0 | 0 | 0 | 109.5 | P589 K593 | P589-A591 PolarHBondContact O-N 2.6Å; A591-K593 PolarHBondContact O-N 3.48Å |
| 592 | T | 37.3 | Very low | 33.4 | Very low | 121 Ų | 121 | 151.1 Ų | 151.1 | 74% | 0.742 | 81% | 0.81 | S | S | * | * | | | trans | -59.6 | 132.1 | 178.8 | 27.4 | 0 | 0 | 0 | 0 | 110.9 | Q590 C594 | Q590-T592 PolarHBondContact O-N 2.64Å; T592-C594 VanDerWaalsContact C-N 3.33Å; T592-C594 PolarHBondContact O-N 3.15Å |
| 593 | K | 34.5 | Very low | 33.6 | Very low | 178 Ų | 178 | 154.7 Ų | 154.7 | 77% | 0.774 | 81% | 0.81 | S | S | * | * | | | trans | -70.4 | 84 | -179.8 | -76.3 | 172.8 | 166.9 | 177.4 | 0 | 111.1 | A591 Y595 | A591-K593 PolarHBondContact O-N 3.48Å; K593-Y595 HydrophobicContact CB-CD2 4.01Å; K593-Y595 HydrophobicContact CB-CE2 4.19Å; K593-Y595 HydrophobicContact CD-CE2 4.18Å; K593-Y595 HydrophobicContact CG-CE2 4.41Å; K593-Y595 PolarHBondContact O-N 3.14Å |
| 594 | C | 26.3 | Very low | 33.6 | Very low | 119 Ų | 119 | 159.7 Ų | 159.7 | 80% | 0.804 | 82% | 0.819 | S | S | * | * | | | trans | -69.8 | 76.8 | 167.9 | -64.9 | 0 | 0 | 0 | 0 | 110.7 | T592 | T592-C594 VanDerWaalsContact C-N 3.33Å; T592-C594 PolarHBondContact O-N 3.15Å |
| 595 | Y | 32.2 | Very low | 33.7 | Very low | 170 Ų | 170 | 157.8 Ų | 157.8 | 67% | 0.667 | 81% | 0.808 | S | S | * | * | | | trans | -74.4 | 129.3 | 164.6 | -86.9 | -81.7 | 0 | 0 | 0 | 109.8 | K593 T597 | K593-Y595 HydrophobicContact CB-CD2 4.01Å; K593-Y595 HydrophobicContact CB-CE2 4.19Å; K593-Y595 HydrophobicContact CD-CE2 4.18Å; K593-Y595 HydrophobicContact CG-CE2 4.41Å; K593-Y595 PolarHBondContact O-N 3.14Å; Y595-T597 VanDerWaalsContact C-N 3.32Å; Y595-T597 PolarHBondContact O-N 3.21Å |
| 596 | D | 31.1 | Very low | 33.8 | Very low | 145 Ų | 145 | 155.2 Ų | 155.2 | 78% | 0.775 | 80% | 0.802 | S | S | * | * | | | trans | -68.7 | 82.9 | 174.4 | -79.3 | -54.9 | 0 | 0 | 0 | 111.6 | A598 | D596-A598 PolarHBondContact O-N 2.85Š|
| 597 | T | 31 | Very low | 34 | Very low | 139 Ų | 139 | 151.4 Ų | 151.4 | 85% | 0.853 | 79% | 0.794 | S | S | * | * | | | trans | -73.5 | 39.6 | 175.5 | 43.5 | 0 | 0 | 0 | 0 | 113.3 | Y595 | Y595-T597 VanDerWaalsContact C-N 3.32Å; Y595-T597 PolarHBondContact O-N 3.21Å |
| 598 | A | 33 | Very low | 33.8 | Very low | 86 Ų | 86 | 153.9 Ų | 153.9 | 71% | 0.711 | 80% | 0.799 | S | S | * | * | | | trans | -105.9 | 47.2 | -173.6 | 0 | 0 | 0 | 0 | 0 | 112.9 | D596 | D596-A598 PolarHBondContact O-N 2.85Š|
| 599 | K | 36 | Very low | 34 | Very low | 189 Ų | 189 | 155.8 Ų | 155.8 | 82% | 0.822 | 80% | 0.804 | S | S | * | * | S | Bend | trans | -155.4 | 43.8 | -174.3 | -126.4 | 165.4 | -153.7 | 154.2 | 0 | 119.6 | | |
| 600 | H | 36.1 | Very low | 33.9 | Very low | 189 Ų | 189 | 154.9 Ų | 154.9 | 88% | 0.875 | 81% | 0.806 | S | S | * | * | | | trans | -166.7 | 97 | 148.2 | -100.4 | -65.5 | 0 | 0 | 0 | 112.8 | R602 | H600-R602 PolarHBondContact O-N 3.45Š|
| 601 | P | 30.2 | Very low | 33.8 | Very low | 121 Ų | 121 | 153.1 Ų | 153.1 | 79% | 0.786 | 80% | 0.802 | S | S | * | * | | | trans | -85.8 | 106.4 | 169.2 | 31.7 | -30.4 | 0 | 0 | 0 | 110.8 | | |
| 602 | R | 36.2 | Very low | 33.6 | Very low | 237 Ų | 237 | 153.7 Ų | 153.7 | 89% | 0.894 | 80% | 0.8 | S | S | * | * | | | trans | -166.9 | 115.9 | 159.9 | -108.9 | 150.3 | -162.2 | -121.1 | -6 | 113.2 | H600 | H600-R602 PolarHBondContact O-N 3.45Š|
| 603 | K | 36.2 | Very low | 33.4 | Very low | 207 Ų | 207 | 152.8 Ų | 152.8 | 90% | 0.9 | 80% | 0.799 | S | S | * | * | | | trans | 51.7 | 78.2 | 161.3 | -63.4 | -169.1 | 173.8 | -170.3 | 0 | 117.2 | | |
| 604 | L | 31.4 | Very low | 33.1 | Very low | 177 Ų | 177 | 150.2 Ų | 150.2 | 93% | 0.927 | 80% | 0.798 | S | S | * | * | | | | -77.3 | 139.3 | 126.8 | -75.8 | 159.8 | 0 | 0 | 0 | 107.2 | | |
| 605 | K | 37.7 | Very low | 33.3 | Very low | 156 Ų | 156 | 154 Ų | 154 | 68% | 0.678 | 80% | 0.801 | S | S | * | * | | | trans | -120.3 | 125.5 | 162.7 | -165.3 | -178 | -166.5 | -79.2 | 0 | 106.7 | E607 | K605-E607 IonicContact NZ-OE1 2.64Å; K605-E607 PolarHBondContact NZ-OE1 3.49Å; K605-E607 IonicContact NZ-OE2 2.6Å; K605-E607 PolarHBondContact NZ-OE2 3.49Å |
| 606 | I | 34.5 | Very low | 33.2 | Very low | 150 Ų | 150 | 154 Ų | 154 | 77% | 0.769 | 81% | 0.808 | S | S | * | * | | | trans | -85.2 | 132.6 | 176.7 | -61 | 161.6 | 0 | 0 | 0 | 107 | | |
| 607 | E | 38.1 | Very low | 33.3 | Very low | 156 Ų | 156 | 153 Ų | 153 | 73% | 0.729 | 81% | 0.812 | S | S | * | * | | | trans | -177.2 | 63.1 | 161.8 | -101.1 | 143.2 | -133.3 | 0 | 0 | 109.6 | K605 | K605-E607 IonicContact NZ-OE1 2.64Å; K605-E607 PolarHBondContact NZ-OE1 3.49Å; K605-E607 IonicContact NZ-OE2 2.6Å; K605-E607 PolarHBondContact NZ-OE2 3.49Å |
| 608 | D | 28.7 | Very low | 33.2 | Very low | 158 Ų | 158 | 154 Ų | 154 | 85% | 0.845 | 81% | 0.812 | S | S | * | * | | | trans | -87.2 | 112.2 | 156.6 | -69.5 | -57 | 0 | 0 | 0 | 107.6 | | |
| 609 | L | 38.7 | Very low | 33.2 | Very low | 177 Ų | 177 | 154.8 Ų | 154.8 | 93% | 0.927 | 81% | 0.81 | S | S | * | * | | | trans | 174.6 | 158.5 | 159.1 | -101 | 157.3 | 0 | 0 | 0 | 111.5 | | |
| 610 | A | 35.8 | Very low | 33 | Very low | 92 Ų | 92 | 153.3 Ų | 153.3 | 76% | 0.76 | 81% | 0.81 | S | S | * | * | | | trans | 73.3 | 82.7 | 172.8 | 0 | 0 | 0 | 0 | 0 | 117.3 | | |
| 611 | D | 30.2 | Very low | 32.5 | Very low | 152 Ų | 152 | 150 Ų | 150 | 81% | 0.813 | 81% | 0.809 | S | S | * | * | | | trans | -55.7 | 158.9 | 156.8 | -49.2 | -98.6 | 0 | 0 | 0 | 113.5 | | |
| 612 | S | 31.5 | Very low | 32.5 | Very low | 108 Ų | 108 | 149.3 Ų | 149.3 | 76% | 0.755 | 80% | 0.802 | S | S | * | * | | | | 140.6 | 135.8 | 126.1 | -64.2 | 0 | 0 | 0 | 0 | 116 | | |
| 613 | S | 32.6 | Very low | 32.3 | Very low | 102 Ų | 102 | 146.7 Ų | 146.7 | 71% | 0.713 | 80% | 0.8 | S | S | * | * | | | trans | 50 | 103.8 | 145.9 | 61.7 | 0 | 0 | 0 | 0 | 120.2 | | |
| 614 | T | 28.8 | Very low | 31.9 | Very low | 124 Ų | 124 | 145.9 Ų | 145.9 | 76% | 0.761 | 80% | 0.796 | S | S | * | * | | | | 17.1 | 121.7 | 118 | 55.8 | 0 | 0 | 0 | 0 | 118.5 | | |
| 615 | F | 29.7 | Very low | 31.9 | Very low | 198 Ų | 198 | 144.2 Ų | 144.2 | 87% | 0.868 | 79% | 0.793 | S | S | * | * | | | | -160 | 161.1 | 119.7 | -119.9 | -79 | 0 | 0 | 0 | 111.9 | | |
| 616 | Q | 29.2 | Very low | 31.4 | Very low | 171 Ų | 171 | 141.1 Ų | 141.1 | 80% | 0.799 | 79% | 0.791 | S | S | * | * | | | trans | -83.7 | 134.1 | 175.9 | -58.8 | 161.9 | -63.2 | 0 | 0 | 111.3 | | |
| 617 | S | 33.7 | Very low | 31.4 | Very low | 124 Ų | 124 | 140 Ų | 140 | 87% | 0.867 | 79% | 0.791 | S | S | * | * | | | trans | -174.6 | 160.4 | 138.4 | 28.7 | 0 | 0 | 0 | 0 | 110.5 | | |
| 618 | N | 29.1 | Very low | 31 | Very low | 160 Ų | 160 | 139.2 Ų | 139.2 | 86% | 0.856 | 79% | 0.791 | S | S | * | * | | | trans | -99.7 | 177.7 | -174.6 | -127.7 | 7.8 | 0 | 0 | 0 | 111.1 | | |
| 619 | P | 34.1 | Very low | 31.2 | Very low | 102 Ų | 102 | 137.9 Ų | 137.9 | 66% | 0.662 | 78% | 0.784 | S | S | * | * | | | trans | -89.5 | 168.8 | -145.4 | 37.6 | -41.3 | 0 | 0 | 0 | 114.7 | | |
| 620 | L | 30.4 | Very low | 31 | Very low | 159 Ų | 159 | 136.4 Ų | 136.4 | 83% | 0.832 | 78% | 0.777 | S | S | * | * | | | trans | -159.5 | 139 | 139.3 | -107.1 | 154.8 | 0 | 0 | 0 | 110.2 | V622 | L620-V622 HydrophobicContact CD2-CG2 3.92Š|
| 621 | S | 26.5 | Very low | 30.7 | Very low | 120 Ų | 120 | 135.6 Ų | 135.6 | 84% | 0.839 | 78% | 0.778 | S | S | * | * | | | trans | -118.7 | 121.4 | 171.3 | -56.9 | 0 | 0 | 0 | 0 | 108 | | |
| 622 | V | 30.8 | Very low | 30.8 | Very low | 106 Ų | 106 | 136.4 Ų | 136.4 | 64% | 0.642 | 78% | 0.78 | S | S | * | * | | | trans | -135.5 | 131.4 | -175.8 | -176.9 | 0 | 0 | 0 | 0 | 110.4 | L620 | L620-V622 HydrophobicContact CD2-CG2 3.92Š|
| 623 | E | 31.9 | Very low | 30.6 | Very low | 181 Ų | 181 | 136 Ų | 136 | 85% | 0.846 | 78% | 0.778 | S | S | * | * | | | trans | 60.6 | 120 | 162.1 | -71.5 | 171 | 146.6 | 0 | 0 | 121.5 | | |
| 624 | K | 27.2 | Very low | 30.7 | Very low | 191 Ų | 191 | 137.2 Ų | 137.2 | 83% | 0.83 | 78% | 0.78 | S | S | * | * | | | trans | -64 | 148.6 | 151.1 | -62.4 | 168.8 | 175.9 | 172.7 | 0 | 109.4 | | |
| 625 | V | 31.3 | Very low | 30.7 | Very low | 141 Ų | 141 | 138.2 Ų | 138.2 | 86% | 0.855 | 78% | 0.781 | S | S | * | * | | | trans | -125.6 | 129.4 | 139.9 | 179.8 | 0 | 0 | 0 | 0 | 107.8 | | |
| 626 | S | 27 | Very low | 30.9 | Very low | 92 Ų | 92 | 137.2 Ų | 137.2 | 64% | 0.643 | 78% | 0.779 | S | S | * | * | | | trans | -130.9 | 122.3 | -177.2 | 54.1 | 0 | 0 | 0 | 0 | 110.5 | | |
| 627 | V | 33.4 | Very low | 30.9 | Very low | 126 Ų | 126 | 134.9 Ų | 134.9 | 76% | 0.764 | 78% | 0.779 | S | S | * | * | | | trans | -136.5 | 104 | 173.1 | -175.4 | 0 | 0 | 0 | 0 | 105.4 | | |
| 628 | L | 29.8 | Very low | 31 | Very low | 140 Ų | 140 | 135.4 Ų | 135.4 | 73% | 0.733 | 78% | 0.776 | S | S | * | * | | | | 64.5 | 98.1 | 74.9 | -77.4 | 169.8 | 0 | 0 | 0 | 113.4 | | |
| 629 | N | 34.2 | Very low | 31.2 | Very low | 129 Ų | 129 | 133.6 Ų | 133.6 | 69% | 0.69 | 77% | 0.773 | S | S | * | * | | | | 175.1 | 139.1 | 104.3 | -84.8 | -11.6 | 0 | 0 | 0 | 112.4 | | |
| 630 | D | 34 | Very low | 31 | Very low | 147 Ų | 147 | 137.7 Ų | 137.7 | 79% | 0.786 | 78% | 0.783 | S | S | * | * | | | trans | 23.6 | 142.9 | 133.1 | -40.2 | -33.2 | 0 | 0 | 0 | 120.9 | | |
| 631 | G | 29.1 | Very low | 31.3 | Very low | 75 Ų | 75 | 139.5 Ų | 139.5 | 77% | 0.773 | 79% | 0.788 | S | S | * | * | | | cis | 127.9 | 65.8 | 3.6 | 0 | 0 | 0 | 0 | 0 | 113.8 | | |
| 632 | I | 32 | Very low | 31.4 | Very low | 168 Ų | 168 | 144.8 Ų | 144.8 | 86% | 0.862 | 79% | 0.789 | S | S | * | * | | | trans | -130.4 | 131.8 | 168.9 | -59.4 | -179 | 0 | 0 | 0 | 109.4 | V634 | I632-V634 HydrophobicContact CG2-CG2 4.37Š|
| 633 | S | 28.4 | Very low | 31.5 | Very low | 101 Ų | 101 | 147.2 Ų | 147.2 | 71% | 0.706 | 80% | 0.798 | S | S | * | * | | | trans | -121.6 | 131 | 175.2 | 178.9 | 0 | 0 | 0 | 0 | 109.9 | | |
| 634 | V | 33.6 | Very low | 31.5 | Very low | 126 Ų | 126 | 145.1 Ų | 145.1 | 76% | 0.764 | 79% | 0.791 | S | S | * | * | | | trans | -136.3 | 111.5 | 169.6 | -178.4 | 0 | 0 | 0 | 0 | 108.5 | I632 | I632-V634 HydrophobicContact CG2-CG2 4.37Š|
| 635 | N | 28.3 | Very low | 31.4 | Very low | 146 Ų | 146 | 143.4 Ų | 143.4 | 78% | 0.781 | 79% | 0.791 | S | S | * | * | | | trans | -92.1 | 127.4 | 171.4 | -91.5 | -67.5 | 0 | 0 | 0 | 110.3 | | |
| 636 | Q | 34.3 | Very low | 31.6 | Very low | 177 Ų | 177 | 140.9 Ų | 140.9 | 83% | 0.827 | 79% | 0.785 | S | S | * | * | | | trans | -144.3 | 115.3 | 158.2 | -76.7 | -161.3 | -18.9 | 0 | 0 | 111 | | |
| 637 | P | 30.4 | Very low | 31.6 | Very low | 122 Ų | 122 | 142.1 Ų | 142.1 | 79% | 0.792 | 79% | 0.789 | S | S | * | * | | | trans | -103.9 | 134.9 | 170.2 | 35.3 | -28.2 | 0 | 0 | 0 | 112.1 | | |
| 638 | V | 34.3 | Very low | 31.4 | Very low | 134 Ų | 134 | 141.6 Ų | 141.6 | 81% | 0.812 | 79% | 0.789 | S | S | * | * | | | trans | -138.7 | 140.8 | 174 | -178.2 | 0 | 0 | 0 | 0 | 108.8 | | |
| 639 | P | 34.7 | Very low | 31.5 | Very low | 122 Ų | 122 | 141.6 Ų | 141.6 | 79% | 0.792 | 79% | 0.79 | S | S | * | * | | | trans | -103.1 | -175.9 | -155 | 40.7 | -38.2 | 0 | 0 | 0 | 117.1 | | |
| 640 | E | 29.8 | Very low | 31.6 | Very low | 189 Ų | 189 | 139.7 Ų | 139.7 | 88% | 0.883 | 79% | 0.786 | S | S | * | * | | | trans | -47.8 | 144.2 | -172.2 | -49.4 | 176.4 | 134.5 | 0 | 0 | 117.4 | | |
| 641 | Q | 35.7 | Very low | 31.7 | Very low | 197 Ų | 197 | 141.2 Ų | 141.2 | 92% | 0.921 | 79% | 0.788 | S | S | * | * | | | trans | -135.8 | 136.4 | 150.5 | -72.3 | -159.6 | 5.4 | 0 | 0 | 114.2 | | |
| 642 | R | 29.5 | Very low | 31.9 | Very low | 231 Ų | 231 | 143.9 Ų | 143.9 | 87% | 0.872 | 79% | 0.792 | S | S | * | * | | | trans | -59.4 | 151.8 | -176.2 | -53.8 | 150.6 | 73.6 | 179.3 | 7.3 | 114.7 | | |
| 643 | L | 32.9 | Very low | 32.3 | Very low | 156 Ų | 156 | 139.7 Ų | 139.7 | 82% | 0.817 | 79% | 0.79 | S | S | * | * | | | trans | 153.6 | 160.7 | 130.7 | -101 | 86.1 | 0 | 0 | 0 | 109.6 | | |
| 644 | L | 31.3 | Very low | 32.4 | Very low | 137 Ų | 137 | 144 Ų | 144 | 72% | 0.717 | 80% | 0.799 | S | S | * | * | | | cis | -173.4 | 130.4 | -41.5 | -110.6 | -177.7 | 0 | 0 | 0 | 105.7 | | |
| 645 | L | 26.4 | Very low | 32.4 | Very low | 155 Ų | 155 | 146.6 Ų | 146.6 | 81% | 0.812 | 81% | 0.808 | S | S | * | * | | | trans | 47.3 | 116 | 145.1 | -114 | 66.8 | 0 | 0 | 0 | 123.5 | | |
| 646 | A | 33.8 | Very low | 32.6 | Very low | 89 Ų | 89 | 146 Ų | 146 | 74% | 0.736 | 81% | 0.81 | S | S | * | * | | | | 173.2 | 121.1 | 129 | 0 | 0 | 0 | 0 | 0 | 108.3 | | |
| 647 | T | 27.3 | Very low | 32.2 | Very low | 118 Ų | 118 | 145.6 Ų | 145.6 | 72% | 0.724 | 81% | 0.813 | S | S | * | * | | | cis | 81.9 | 128 | 43.7 | 66.4 | 0 | 0 | 0 | 0 | 115.6 | | |
| 648 | C | 29 | Very low | 32.4 | Very low | 114 Ų | 114 | 148.6 Ų | 148.6 | 77% | 0.77 | 82% | 0.815 | S | S | * | * | | | trans | 72.7 | 145.7 | 168 | -61.5 | 0 | 0 | 0 | 0 | 116.6 | | |
| 649 | D | 33.3 | Very low | 32.2 | Very low | 141 Ų | 141 | 146.5 Ų | 146.5 | 75% | 0.754 | 81% | 0.812 | S | S | * | * | | | cis | -162.6 | -178.4 | -10 | -123.9 | -48.5 | 0 | 0 | 0 | 113.7 | | |
| 650 | S | 36 | Very low | 32.1 | Very low | 88 Ų | 88 | 150.7 Ų | 150.7 | 62% | 0.615 | 82% | 0.818 | S | S | * | * | | | trans | 80.7 | 105.7 | 155.6 | -65 | 0 | 0 | 0 | 0 | 123 | | |
| 651 | H | 35.4 | Very low | 32.3 | Very low | 179 Ų | 179 | 147 Ų | 147 | 83% | 0.829 | 81% | 0.811 | S | S | * | * | | | trans | 60.7 | 130 | 131.7 | -56.9 | -61 | 0 | 0 | 0 | 124.4 | | |
| 652 | P | 34.2 | Very low | 32.1 | Very low | 132 Ų | 132 | 143.1 Ų | 143.1 | 86% | 0.857 | 81% | 0.805 | S | S | * | * | | | trans | -97.1 | 156 | 163.9 | 37.9 | -32.4 | 0 | 0 | 0 | 113.6 | | |
| 653 | G | 39.2 | Very low | 32.4 | Very low | 79 Ų | 79 | 137 Ų | 137 | 81% | 0.814 | 80% | 0.804 | S | S | * | * | | | trans | -135.9 | 159.9 | 180 | 0 | 0 | 0 | 0 | 0 | 114.4 | | |
| 654 | Q | 32 | Very low | 32.4 | Very low | 191 Ų | 191 | 136.6 Ų | 136.6 | 89% | 0.893 | 81% | 0.809 | S | S | * | * | | | trans | -63.3 | 146 | -170.5 | -64.7 | 166.6 | -36.2 | 0 | 0 | 115.2 | | |
| 655 | L | 31.8 | Very low | 32.5 | Very low | 181 Ų | 181 | 133.2 Ų | 133.2 | 95% | 0.948 | 81% | 0.806 | S | S | * | * | | | trans | -136.7 | 126.4 | 149 | -80.1 | 177.8 | 0 | 0 | 0 | 109.8 | | |
| 656 | T | 33.3 | Very low | 32.9 | Very low | 133 Ų | 133 | 134.5 Ų | 134.5 | 82% | 0.816 | 81% | 0.813 | S | S | * | * | | | trans | -98.3 | 147.8 | 179.2 | 19.1 | 0 | 0 | 0 | 0 | 111.9 | | |
| 657 | L | 26.6 | Very low | 32.8 | Very low | 170 Ų | 170 | 134.1 Ų | 134.1 | 89% | 0.89 | 82% | 0.818 | S | S | * | * | | | trans | -75.5 | 143.9 | 176.7 | -75.6 | 163.7 | 0 | 0 | 0 | 112.1 | | |
| 658 | H | 33.5 | Very low | 33.1 | Very low | 184 Ų | 184 | 132.6 Ų | 132.6 | 85% | 0.852 | 83% | 0.826 | S | S | * | * | | | trans | -114.5 | 136.8 | 154.4 | -92.6 | -95.3 | 0 | 0 | 0 | 109.2 | | |
| 659 | A | 30.2 | Very low | 33.1 | Very low | 90 Ų | 90 | 132.8 Ų | 132.8 | 74% | 0.744 | 83% | 0.828 | S | S | * | * | | | trans | -117.3 | 148.7 | 178.6 | 0 | 0 | 0 | 0 | 0 | 110.7 | | |
| 660 | F | 32.2 | Very low | 32.9 | Very low | 210 Ų | 210 | 131.4 Ų | 131.4 | 92% | 0.921 | 83% | 0.83 | S | S | * | * | | | trans | -115.6 | 128.5 | 166.1 | -89.9 | -83.1 | 0 | 0 | 0 | 109.5 | | |
| 661 | P | 34.4 | Very low | 32.5 | Very low | 111 Ų | 111 | 133.5 Ų | 133.5 | 72% | 0.721 | 84% | 0.839 | S | S | * | * | | | trans | -103 | 179.9 | -178.1 | 39.4 | -35.4 | 0 | 0 | 0 | 113.6 | | |
| 662 | S | 31.3 | Very low | 32.1 | Very low | 116 Ų | 116 | 132.5 Ų | 132.5 | 81% | 0.811 | 84% | 0.838 | S | S | * | * | | | trans | 101.6 | 106.9 | 154.6 | -49.9 | 0 | 0 | 0 | 0 | 118.6 | | |
| 663 | A | 36.8 | Very low | 32.1 | Very low | 102 Ų | 102 | 131.5 Ų | 131.5 | 84% | 0.843 | 83% | 0.834 | S | S | * | * | | | | -158.9 | 146.7 | 123.4 | 0 | 0 | 0 | 0 | 0 | 109.2 | | |
| 664 | T | 31.9 | Very low | 31.9 | Very low | 149 Ų | 149 | 133 Ų | 133 | 91% | 0.914 | 83% | 0.829 | S | S | * | * | | | trans | -138 | 137.1 | -172 | 50.1 | 0 | 0 | 0 | 0 | 113.5 | | |
| 665 | G | 34.4 | Very low | 31.9 | Very low | 65 Ų | 65 | 132.4 Ų | 132.4 | 67% | 0.67 | 83% | 0.826 | S | S | * | * | | | trans | 173 | 120.7 | 167.6 | 0 | 0 | 0 | 0 | 0 | 107.7 | | |
| 666 | L | 34.7 | Very low | 31.8 | Very low | 182 Ų | 182 | 128.8 Ų | 128.8 | 95% | 0.953 | 82% | 0.816 | S | S | * | * | | | | 55.5 | 113.3 | 53.4 | -52 | 177.8 | 0 | 0 | 0 | 111.2 | | |
| 667 | G | 31.7 | Very low | 31.8 | Very low | 82 Ų | 82 | 130.6 Ų | 130.6 | 85% | 0.845 | 82% | 0.815 | S | S | * | * | | | cis | 164.5 | 173 | -4.6 | 0 | 0 | 0 | 0 | 0 | 110.9 | | |
| 668 | G | 32.7 | Very low | 32 | Very low | 85 Ų | 85 | 130 Ų | 130 | 88% | 0.876 | 81% | 0.812 | S | S | * | * | | | trans | 127.5 | 127 | 170.1 | 0 | 0 | 0 | 0 | 0 | 114.9 | | |
| 669 | S | 28.8 | Very low | 31.8 | Very low | 119 Ų | 119 | 126 Ų | 126 | 83% | 0.832 | 80% | 0.8 | S | S | * | * | | | trans | -105.3 | 136.6 | 178.7 | -53.7 | 0 | 0 | 0 | 0 | 111.6 | | |
| 670 | S | 30.9 | Very low | 31.8 | Very low | 112 Ų | 112 | 131 Ų | 131 | 78% | 0.783 | 81% | 0.806 | S | S | * | * | | | trans | -168.9 | 124.9 | 148.6 | -78.1 | 0 | 0 | 0 | 0 | 106.3 | | |
| 671 | V | 26.8 | Very low | 31.8 | Very low | 132 Ų | 132 | 125.4 Ų | 125.4 | 80% | 0.8 | 80% | 0.798 | S | S | * | * | | | | 68.5 | 140.9 | 57.1 | -174.8 | 0 | 0 | 0 | 0 | 111.6 | | |
| 672 | I | 27.8 | Very low | 31.9 | Very low | 157 Ų | 157 | 125.1 Ų | 125.1 | 81% | 0.805 | 81% | 0.805 | S | S | * | * | | | trans | 92 | 106.2 | -173.2 | -53.3 | 170.4 | 0 | 0 | 0 | 114 | | |
| 673 | S | 33.3 | Very low | 32.1 | Very low | 111 Ų | 111 | 127.6 Ų | 127.6 | 78% | 0.776 | 81% | 0.808 | S | S | * | * | | | trans | -97.5 | 135.8 | 157.3 | 169.7 | 0 | 0 | 0 | 0 | 108.9 | | |
| 674 | P | 35.2 | Very low | 32.3 | Very low | 110 Ų | 110 | 128 Ų | 128 | 71% | 0.714 | 80% | 0.802 | S | S | * | * | | | trans | -103.7 | 141.3 | 162.5 | 34.3 | -26.9 | 0 | 0 | 0 | 112.6 | | |
| 675 | H | 31.9 | Very low | 32.7 | Very low | 180 Ų | 180 | 125 Ų | 125 | 83% | 0.833 | 79% | 0.788 | S | S | * | * | | | trans | -69.4 | 175.3 | 166.5 | -107.8 | -110.1 | 0 | 0 | 0 | 112.4 | | |
| 676 | S | 30 | Very low | 32.9 | Very low | 104 Ų | 104 | 130 Ų | 130 | 73% | 0.727 | 80% | 0.795 | S | S | * | * | | | trans | 107.8 | 115.3 | 165.5 | -47.3 | 0 | 0 | 0 | 0 | 112.9 | | |
| 677 | Q | 33.7 | Very low | 33.1 | Very low | 171 Ų | 171 | 125.5 Ų | 125.5 | 80% | 0.799 | 78% | 0.779 | S | S | * | * | | | | 82.9 | 155.5 | 57.3 | -74.9 | -168.6 | 9.4 | 0 | 0 | 114.1 | | |
| 678 | L | 28.8 | Very low | 33.4 | Very low | 157 Ų | 157 | 129.5 Ų | 129.5 | 82% | 0.822 | 78% | 0.78 | S | S | * | * | | | trans | 87.6 | 145.3 | 173.7 | -53.7 | 175.1 | 0 | 0 | 0 | 117.2 | | |
| 679 | V | 29.5 | Very low | 33.6 | Very low | 101 Ų | 101 | 130.2 Ų | 130.2 | 61% | 0.612 | 77% | 0.772 | S | S | * | * | | | cis | -169.3 | -179.7 | -38.1 | 114.9 | 0 | 0 | 0 | 0 | 109.1 | | |
| 680 | F | 31 | Very low | 34.2 | Very low | 196 Ų | 196 | 129 Ų | 129 | 86% | 0.86 | 77% | 0.769 | S | S | * | * | | | trans | 88.7 | 139.6 | 172.3 | -54.7 | -66.5 | 0 | 0 | 0 | 116.9 | | |
| 681 | A | 31.1 | Very low | 34.7 | Very low | 92 Ų | 92 | 129.8 Ų | 129.8 | 76% | 0.76 | 77% | 0.769 | S | S | * | * | | | cis | -162.7 | 137.9 | -18.1 | 0 | 0 | 0 | 0 | 0 | 112.7 | | |
| 682 | A | 37.6 | Very low | 35.5 | Very low | 104 Ų | 104 | 128.8 Ų | 128.8 | 86% | 0.86 | 77% | 0.765 | S | S | * | * | | | trans | -160.3 | 135.4 | 150.8 | 0 | 0 | 0 | 0 | 0 | 109.6 | | |
| 683 | L | 35.4 | Very low | 36 | Very low | 168 Ų | 168 | 128.8 Ų | 128.8 | 88% | 0.88 | 77% | 0.765 | S | S | * | * | | | trans | -116.4 | 174.5 | -179.9 | -82.5 | 161.5 | 0 | 0 | 0 | 109.1 | | |
| 684 | P | 40.6 | Very low | 36.2 | Very low | 111 Ų | 111 | 131 Ų | 131 | 72% | 0.721 | 77% | 0.767 | S | S | * | * | | | cis | -122.6 | -165.3 | 6.2 | 30.3 | -5.6 | 0 | 0 | 0 | 111.5 | | |
| 685 | S | 39.9 | Very low | 36 | Very low | 87 Ų | 87 | 130.3 Ų | 130.3 | 61% | 0.608 | 77% | 0.765 | S | S | * | * | | | cis | -162.6 | 160.8 | 24.8 | -42.3 | 0 | 0 | 0 | 0 | 112.7 | | |
| 686 | M | 38.6 | Very low | 36.4 | Very low | 170 Ų | 170 | 130 Ų | 130 | 84% | 0.837 | 76% | 0.764 | S | S | * | * | | | trans | 66.4 | 145.4 | 163.5 | -51.8 | -66.8 | 95.5 | 0 | 0 | 117.7 | | |
| 687 | S | 40.1 | Very low | 36.5 | Very low | 86 Ų | 86 | 131.1 Ų | 131.1 | 60% | 0.601 | 77% | 0.766 | S | S | * | * | | | cis | -170.6 | 125 | -21.3 | 50.8 | 0 | 0 | 0 | 0 | 112 | | |
| 688 | L | 36.6 | Very low | 36.6 | Very low | 167 Ų | 167 | 130.4 Ų | 130.4 | 87% | 0.874 | 77% | 0.768 | S | S | * | * | | | trans | 62.6 | 151.7 | 157.3 | -78.9 | 82 | 0 | 0 | 0 | 118.6 | | |
| 689 | S | 38.6 | Very low | 36.8 | Very low | 100 Ų | 100 | 128.7 Ų | 128.7 | 70% | 0.699 | 76% | 0.764 | S | S | * | * | | | cis | -164.9 | 150.1 | -7.5 | 47.1 | 0 | 0 | 0 | 0 | 113.2 | | |
| 690 | A | 40.1 | Very low | 37 | Very low | 93 Ų | 93 | 132 Ų | 132 | 77% | 0.769 | 77% | 0.772 | S | S | * | * | | | trans | 66.8 | 146.8 | 151.2 | 0 | 0 | 0 | 0 | 0 | 119.8 | | |
| 691 | V | 41.1 | Very low | 36.8 | Very low | 129 Ų | 129 | 129.7 Ų | 129.7 | 78% | 0.782 | 77% | 0.768 | S | S | * | * | | | cis | -152.4 | 147.6 | -13.5 | 121.7 | 0 | 0 | 0 | 0 | 109.4 | | |
| 692 | P | 43.8 | Very low | 36.7 | Very low | 111 Ų | 111 | 128.9 Ų | 128.9 | 72% | 0.721 | 76% | 0.761 | S | S | * | * | | | trans | -105 | 177.7 | -179.6 | 41.1 | -35.6 | 0 | 0 | 0 | 113.6 | | |
| 693 | I | 39.1 | Very low | 36.4 | Very low | 156 Ų | 156 | 130.8 Ų | 130.8 | 80% | 0.8 | 76% | 0.757 | S | S | * | * | | | trans | -161.1 | 128.1 | 150.4 | -109 | 151.8 | 0 | 0 | 0 | 113.4 | | |
| 694 | L | 36.7 | Very low | 36.2 | Very low | 159 Ų | 159 | 127.4 Ų | 127.4 | 83% | 0.832 | 74% | 0.743 | S | S | * | * | | | trans | 34 | 163.6 | 149.4 | -54.3 | 170.5 | 0 | 0 | 0 | 123.8 | | |
| 695 | S | 32.4 | Very low | 35.7 | Very low | 95 Ų | 95 | 130.5 Ų | 130.5 | 66% | 0.664 | 75% | 0.745 | S | S | * | * | | | cis | 168.2 | 172.9 | -33.2 | -169.1 | 0 | 0 | 0 | 0 | 108.5 | | |
| 696 | Q | 39 | Very low | 35.4 | Very low | 174 Ų | 174 | 132.2 Ų | 132.2 | 81% | 0.813 | 75% | 0.747 | S | S | * | * | | | trans | 73.1 | 121.7 | 176.2 | -58.4 | 172.5 | -18.2 | 0 | 0 | 114.1 | | |
| 697 | V | 33.2 | Very low | 35.1 | Very low | 127 Ų | 127 | 130.8 Ų | 130.8 | 77% | 0.77 | 74% | 0.742 | S | S | * | * | | | cis | 69.1 | 105.8 | 14.8 | -165.6 | 0 | 0 | 0 | 0 | 115.4 | | |
| 698 | N | 35 | Very low | 35 | Very low | 156 Ų | 156 | 131.7 Ų | 131.7 | 83% | 0.834 | 76% | 0.755 | S | S | * | * | | | | -162.9 | 167.5 | 129.1 | -106.7 | -4.6 | 0 | 0 | 0 | 112.5 | | |
| 699 | T | 33.7 | Very low | 34.7 | Very low | 120 Ų | 120 | 128.9 Ų | 128.9 | 74% | 0.736 | 75% | 0.749 | S | S | * | * | | | trans | -99.1 | -159.5 | -173.3 | 48.1 | 0 | 0 | 0 | 0 | 112.5 | | |
| 700 | E | 32.7 | Very low | 34.7 | Very low | 171 Ų | 171 | 128 Ų | 128 | 80% | 0.799 | 76% | 0.756 | S | S | * | * | | | trans | 86.7 | 148.1 | 169.6 | -53.4 | -159.4 | 161.9 | 0 | 0 | 115.7 | | |
| 701 | I | 28.5 | Very low | 34.1 | Very low | 148 Ų | 148 | 128.4 Ų | 128.4 | 76% | 0.759 | 75% | 0.75 | S | S | * | * | | | cis | 173.2 | 143.8 | -31.8 | -105.7 | 164.3 | 0 | 0 | 0 | 104.3 | | |
| 702 | A | 28.6 | Very low | 33.5 | Very low | 74 Ų | 74 | 131.7 Ų | 131.7 | 61% | 0.612 | 75% | 0.754 | S | S | * | * | | | trans | 65 | 145.7 | 162.4 | 0 | 0 | 0 | 0 | 0 | 121 | | |
| 703 | N | 30.3 | Very low | 32.7 | Very low | 145 Ų | 145 | 130 Ų | 130 | 78% | 0.775 | 75% | 0.749 | S | S | * | * | | | trans | 70.6 | 146.5 | 144.8 | -64.7 | -9.1 | 0 | 0 | 0 | 118.3 | | |
| 704 | T | 32.1 | Very low | 32.2 | Very low | 96 Ų | 96 | 128.6 Ų | 128.6 | 59% | 0.589 | 75% | 0.748 | S | S | * | * | | | cis | -164 | 157.9 | 1.4 | 4.9 | 0 | 0 | 0 | 0 | 112 | | |
| 705 | F | 30.3 | Very low | 32 | Very low | 177 Ų | 177 | 128.4 Ų | 128.4 | 78% | 0.776 | 74% | 0.743 | S | S | * | * | | | trans | 64.2 | 156 | 151.6 | -66.9 | -50.6 | 0 | 0 | 0 | 118.5 | | |
| 706 | N | 33.2 | Very low | 32.1 | Very low | 122 Ų | 122 | 129.4 Ų | 129.4 | 65% | 0.652 | 75% | 0.747 | S | S | * | * | | | cis | -146.1 | 160.2 | -1 | -134 | -25.7 | 0 | 0 | 0 | 115.1 | | |
| 707 | L | 31.2 | Very low | 31.9 | Very low | 140 Ų | 140 | 129 Ų | 129 | 73% | 0.733 | 75% | 0.745 | S | S | * | * | | | trans | -8.5 | 134.2 | 161.5 | -95.4 | 49.3 | 0 | 0 | 0 | 120.5 | | |
| 708 | A | 38.4 | Very low | 31.6 | Very low | 105 Ų | 105 | 125.9 Ų | 125.9 | 87% | 0.868 | 74% | 0.738 | S | S | * | * | | | | -146.9 | 125.1 | 103.6 | 0 | 0 | 0 | 0 | 0 | 110.2 | | |
| 709 | S | 31 | Very low | 31.6 | Very low | 108 Ų | 108 | 127.1 Ų | 127.1 | 76% | 0.755 | 74% | 0.738 | S | S | * | * | | | trans | -101.1 | 149.8 | -171 | -55.9 | 0 | 0 | 0 | 0 | 113.1 | | |
| 710 | G | 37.8 | Very low | 31.2 | Very low | 82 Ų | 82 | 129.7 Ų | 129.7 | 85% | 0.845 | 74% | 0.74 | S | S | * | * | | | trans | -162.6 | 49.8 | -179.5 | 0 | 0 | 0 | 0 | 0 | 113.7 | | |
| 711 | T | 28.5 | Very low | 31.1 | Very low | 102 Ų | 102 | 128.5 Ų | 128.5 | 63% | 0.626 | 74% | 0.738 | S | S | * | * | | | trans | -90.3 | 174.8 | -177.1 | 45.8 | 0 | 0 | 0 | 0 | 113.4 | | |
| 712 | F | 27.6 | Very low | 30.9 | Very low | 197 Ų | 197 | 126.7 Ų | 126.7 | 86% | 0.864 | 73% | 0.734 | S | S | * | * | | | trans | 82.7 | 140.8 | 170.5 | -52.6 | -67.8 | 0 | 0 | 0 | 116.1 | | |
| 713 | A | 28.4 | Very low | 31.1 | Very low | 75 Ų | 75 | 129.4 Ų | 129.4 | 62% | 0.62 | 74% | 0.743 | S | S | * | * | | | cis | -162.5 | 166.2 | -11.9 | 0 | 0 | 0 | 0 | 0 | 112.4 | | |
| 714 | T | 27.3 | Very low | 31 | Very low | 128 Ų | 128 | 127.5 Ų | 127.5 | 79% | 0.785 | 74% | 0.74 | S | S | * | * | | | trans | 23 | 137 | 145.7 | 62.4 | 0 | 0 | 0 | 0 | 119.8 | | |
| 715 | Q | 32.8 | Very low | 31 | Very low | 155 Ų | 155 | 127.3 Ų | 127.3 | 72% | 0.724 | 74% | 0.743 | S | S | * | * | | | | -161.2 | 166.5 | 50.4 | -73.2 | 179.7 | -87.5 | 0 | 0 | 112.9 | | |
| 716 | P | 35 | Very low | 31.1 | Very low | 116 Ų | 116 | 125.1 Ų | 125.1 | 75% | 0.753 | 74% | 0.744 | S | S | * | * | | | trans | -113.7 | 112.9 | 170.8 | 36.3 | -23.5 | 0 | 0 | 0 | 114.6 | | |
| 717 | H | 34.7 | Very low | 31.3 | Very low | 166 Ų | 166 | 124.9 Ų | 124.9 | 77% | 0.769 | 75% | 0.75 | S | S | * | * | | | trans | -148.7 | 149.2 | 163.9 | -61.6 | -83.7 | 0 | 0 | 0 | 108.5 | | |
| 718 | G | 27.1 | Very low | 31.5 | Very low | 60 Ų | 60 | 125.6 Ų | 125.6 | 62% | 0.619 | 75% | 0.754 | S | S | * | * | | | cis | 128.3 | 86.8 | -4.3 | 0 | 0 | 0 | 0 | 0 | 113.8 | | |
| 719 | H | 34.5 | Very low | 31.6 | Very low | 182 Ų | 182 | 126.6 Ų | 126.6 | 84% | 0.843 | 75% | 0.751 | S | S | * | * | | | trans | -160.3 | 132.7 | 161.3 | -84 | -65.2 | 0 | 0 | 0 | 107.3 | | |
| 720 | F | 24.7 | Very low | 31.6 | Very low | 175 Ų | 175 | 126.3 Ų | 126.3 | 77% | 0.768 | 75% | 0.749 | S | S | * | * | | | | 54.5 | 126.2 | 71.7 | -74.8 | -95.1 | 0 | 0 | 0 | 111.9 | | |
| 721 | L | 31.5 | Very low | 31.2 | Very low | 145 Ų | 145 | 127.3 Ų | 127.3 | 76% | 0.759 | 74% | 0.742 | S | S | * | * | | | cis | -141.3 | 141.3 | 40.1 | -71.2 | 163.7 | 0 | 0 | 0 | 111 | | |
| 722 | T | 25 | Very low | 31.3 | Very low | 110 Ų | 110 | 129.5 Ų | 129.5 | 68% | 0.675 | 75% | 0.748 | S | S | * | * | | | | 33.4 | 127.9 | 94.5 | 63.5 | 0 | 0 | 0 | 0 | 115 | | |
| 723 | V | 32.5 | Very low | 31.4 | Very low | 132 Ų | 132 | 124.5 Ų | 124.5 | 80% | 0.8 | 74% | 0.738 | S | S | * | * | | | | -166 | 118.9 | 73.1 | 159.7 | 0 | 0 | 0 | 0 | 107.7 | | |
| 724 | S | 26.4 | Very low | 31.6 | Very low | 104 Ų | 104 | 128.5 Ų | 128.5 | 73% | 0.727 | 75% | 0.749 | S | S | * | * | | | | 84.8 | 139.9 | 89.9 | -163.9 | 0 | 0 | 0 | 0 | 118.1 | | |
| 725 | S | 33.7 | Very low | 31.9 | Very low | 93 Ų | 93 | 127.8 Ų | 127.8 | 65% | 0.65 | 75% | 0.749 | S | S | * | * | | | trans | 63.7 | 102.2 | 150 | 42.2 | 0 | 0 | 0 | 0 | 122.3 | | |
| 726 | T | 32.6 | Very low | 32 | Very low | 130 Ų | 130 | 125.4 Ų | 125.4 | 80% | 0.798 | 75% | 0.75 | S | S | * | * | | | | 5.3 | 159 | 115 | 57.5 | 0 | 0 | 0 | 0 | 120.1 | | |
| 727 | P | 37.3 | Very low | 32 | Very low | 118 Ų | 118 | 126 Ų | 126 | 77% | 0.766 | 75% | 0.751 | S | S | * | * | | | cis | -139.2 | -169.5 | 20.4 | 40.9 | -20.9 | 0 | 0 | 0 | 116.3 | | |
| 728 | L | 35.5 | Very low | 32.1 | Very low | 155 Ų | 155 | 127.6 Ų | 127.6 | 81% | 0.812 | 76% | 0.759 | S | S | * | * | | | trans | -69.6 | 160 | 163.8 | -73.5 | 74.8 | 0 | 0 | 0 | 111.9 | | |
| 729 | P | 40.6 | Very low | 32.7 | Very low | 125 Ų | 125 | 128.4 Ų | 128.4 | 81% | 0.812 | 77% | 0.768 | S | S | * | * | | | trans | -109.5 | 141.3 | 140.2 | 35.2 | -28.2 | 0 | 0 | 0 | 111.8 | | |
| 730 | S | 31.3 | Very low | 32.5 | Very low | 102 Ų | 102 | 127.5 Ų | 127.5 | 71% | 0.713 | 77% | 0.769 | S | S | * | * | | | trans | -105.9 | -171.8 | 168.8 | 49.4 | 0 | 0 | 0 | 0 | 110.6 | | |
| 731 | C | 28.4 | Very low | 32.9 | Very low | 103 Ų | 103 | 125.5 Ų | 125.5 | 70% | 0.696 | 77% | 0.771 | S | S | * | * | | | trans | 105.2 | 127 | 151.7 | -63.9 | 0 | 0 | 0 | 0 | 121 | | |
| 732 | I | 31.1 | Very low | 32.8 | Very low | 149 Ų | 149 | 125 Ų | 125 | 76% | 0.764 | 77% | 0.773 | S | S | * | * | | | trans | 84.5 | 98.2 | 135.1 | -65.1 | 166.2 | 0 | 0 | 0 | 119.6 | | |
| 733 | S | 28.6 | Very low | 33.3 | Very low | 92 Ų | 92 | 125.9 Ų | 125.9 | 64% | 0.643 | 78% | 0.778 | S | S | * | * | | | trans | -5 | 156.2 | 141 | 57.8 | 0 | 0 | 0 | 0 | 122.4 | | |
| 734 | N | 33.6 | Very low | 33.2 | Very low | 159 Ų | 159 | 124.2 Ų | 124.2 | 85% | 0.85 | 77% | 0.773 | S | S | * | * | | | | -164.7 | 175.9 | 114.8 | -94.1 | -11 | 0 | 0 | 0 | 113.4 | | |
| 735 | S | 32.3 | Very low | 33.9 | Very low | 113 Ų | 113 | 127.7 Ų | 127.7 | 79% | 0.79 | 78% | 0.777 | S | S | * | * | | | trans | -141.7 | 143 | -159 | 57.7 | 0 | 0 | 0 | 0 | 115.7 | | |
| 736 | S | 35.5 | Very low | 33.6 | Very low | 105 Ų | 105 | 130.1 Ų | 130.1 | 73% | 0.734 | 78% | 0.783 | S | S | * | * | | | trans | -176.1 | 134 | 155.7 | 43.6 | 0 | 0 | 0 | 0 | 108 | | |
| 737 | T | 36 | Very low | 33.8 | Very low | 129 Ų | 129 | 132.9 Ų | 132.9 | 79% | 0.791 | 79% | 0.787 | S | S | * | * | | | | 57.3 | 133.1 | 65.7 | 69.5 | 0 | 0 | 0 | 0 | 112.5 | | |
| 738 | E | 35.5 | Very low | 33.4 | Very low | 198 Ų | 198 | 133.2 Ų | 133.2 | 93% | 0.925 | 79% | 0.787 | S | S | * | * | | | cis | -145.1 | 178.7 | 22.7 | -59.7 | 172.8 | 129.2 | 0 | 0 | 112.5 | | |
| 739 | G | 40.5 | Very low | 33.4 | Very low | 78 Ų | 78 | 132.9 Ų | 132.9 | 80% | 0.804 | 79% | 0.791 | S | S | * | * | | | trans | 150.1 | 80 | 160.8 | 0 | 0 | 0 | 0 | 0 | 118.2 | | |
| 740 | N | 30.1 | Very low | 33 | Very low | 162 Ų | 162 | 131.6 Ų | 131.6 | 87% | 0.866 | 79% | 0.785 | S | S | * | * | | | trans | -93.7 | 136.6 | 171.4 | -71.3 | -47 | 0 | 0 | 0 | 112.5 | | |
| 741 | V | 33.4 | Very low | 33 | Very low | 134 Ų | 134 | 132.2 Ų | 132.2 | 81% | 0.812 | 79% | 0.79 | S | S | * | * | | | trans | -146.9 | 135.5 | 138.5 | 180 | 0 | 0 | 0 | 0 | 109 | V743 | V741-V743 HydrophobicContact CG1-CG2 4.35Š|
| 742 | V | 29.2 | Very low | 33.3 | Very low | 134 Ų | 134 | 133.3 Ų | 133.3 | 81% | 0.812 | 79% | 0.793 | S | S | * | * | | | trans | -110.8 | 129.3 | 170.5 | 174.1 | 0 | 0 | 0 | 0 | 109.2 | | |
| 743 | V | 35.2 | Very low | 33.2 | Very low | 128 Ų | 128 | 131.3 Ų | 131.3 | 78% | 0.776 | 79% | 0.792 | S | S | * | * | | | trans | -136.4 | 125.7 | 158.6 | -178.6 | 0 | 0 | 0 | 0 | 108.4 | V741 | V741-V743 HydrophobicContact CG1-CG2 4.35Š|
| 744 | S | 30.2 | Very low | 33.8 | Very low | 98 Ų | 98 | 132.9 Ų | 132.9 | 69% | 0.685 | 80% | 0.8 | S | S | * | * | | | trans | -103.3 | 135.9 | 170.3 | 170.1 | 0 | 0 | 0 | 0 | 109.3 | | |
| 745 | Q | 40.6 | Very low | 33.6 | Very low | 176 Ų | 176 | 129.9 Ų | 129.9 | 82% | 0.822 | 79% | 0.792 | S | S | * | * | | | trans | -153 | 120.1 | 158.3 | -115.4 | 170.8 | 40.9 | 0 | 0 | 110.9 | | |
| 746 | N | 28.4 | Very low | 33.7 | Very low | 145 Ų | 145 | 134.5 Ų | 134.5 | 78% | 0.775 | 80% | 0.798 | S | S | * | * | | | trans | -72.8 | 138 | 168.4 | -71.6 | -25.8 | 0 | 0 | 0 | 110.1 | | |
| 747 | Q | 37.1 | Very low | 33.6 | Very low | 187 Ų | 187 | 133.8 Ų | 133.8 | 87% | 0.874 | 80% | 0.798 | S | S | * | * | | | trans | -157.3 | 153.9 | 139.9 | -119.9 | 150.2 | 93.4 | 0 | 0 | 113.4 | | |
| 748 | T | 28.4 | Very low | 33.2 | Very low | 125 Ų | 125 | 135.6 Ų | 135.6 | 77% | 0.767 | 80% | 0.802 | S | S | * | * | | | trans | -95.4 | 140.6 | -166.8 | 49.4 | 0 | 0 | 0 | 0 | 113 | | |
| 749 | V | 35.4 | Very low | 33.1 | Very low | 149 Ų | 149 | 134.4 Ų | 134.4 | 90% | 0.903 | 80% | 0.8 | S | S | * | * | | | trans | -135 | 135.9 | 153.5 | -174.7 | 0 | 0 | 0 | 0 | 108.4 | | |
| 750 | S | 32.4 | Very low | 32.6 | Very low | 97 Ų | 97 | 135.5 Ų | 135.5 | 68% | 0.678 | 80% | 0.796 | S | S | * | * | | | trans | -112.5 | 156.6 | -171.5 | -51.3 | 0 | 0 | 0 | 0 | 112 | | |
| 751 | S | 30.6 | Very low | 32.7 | Very low | 116 Ų | 116 | 134.6 Ų | 134.6 | 81% | 0.811 | 80% | 0.796 | S | S | * | * | | | trans | 64.3 | 154.8 | 169.9 | 70.6 | 0 | 0 | 0 | 0 | 114.9 | | |
| 752 | V | 35 | Very low | 32.7 | Very low | 126 Ų | 126 | 135.5 Ų | 135.5 | 76% | 0.764 | 80% | 0.795 | S | S | * | * | | | cis | -145.8 | 144.2 | 34.8 | 165.8 | 0 | 0 | 0 | 0 | 110.8 | | |
| 753 | S | 28.3 | Very low | 33.2 | Very low | 107 Ų | 107 | 134.1 Ų | 134.1 | 75% | 0.748 | 79% | 0.789 | S | S | * | * | | | trans | -94.8 | 153.2 | 167.3 | -47.4 | 0 | 0 | 0 | 0 | 111.7 | | |
| 754 | P | 41.3 | Very low | 33.1 | Very low | 125 Ų | 125 | 133.1 Ų | 133.1 | 81% | 0.812 | 79% | 0.787 | S | S | * | * | | | trans | -111.7 | 131.3 | 151.8 | 33.9 | -25.9 | 0 | 0 | 0 | 111.7 | | |
| 755 | S | 30.3 | Very low | 33.3 | Very low | 96 Ų | 96 | 136.7 Ų | 136.7 | 67% | 0.671 | 79% | 0.793 | S | S | * | * | | | trans | -93.8 | -160.4 | 159.7 | -52.7 | 0 | 0 | 0 | 0 | 109.6 | | |
| 756 | F | 34.2 | Very low | 33.1 | Very low | 209 Ų | 209 | 135.3 Ų | 135.3 | 92% | 0.917 | 79% | 0.786 | S | S | * | * | | | trans | 74.6 | 146.2 | 176.2 | -50.1 | -76.9 | 0 | 0 | 0 | 115.2 | | |
| 757 | A | 34.5 | Very low | 33.4 | Very low | 91 Ų | 91 | 137 Ų | 137 | 75% | 0.752 | 79% | 0.79 | S | S | * | * | | | cis | -159.8 | 164.6 | -19.4 | 0 | 0 | 0 | 0 | 0 | 110.6 | | |
| 758 | L | 27.3 | Very low | 33.1 | Very low | 166 Ų | 166 | 134.8 Ų | 134.8 | 87% | 0.869 | 78% | 0.784 | S | S | * | * | | | trans | -70.3 | 145 | 165.6 | -73.4 | 158.2 | 0 | 0 | 0 | 111.3 | | |
| 759 | I | 32.9 | Very low | 33.5 | Very low | 173 Ų | 173 | 138.4 Ų | 138.4 | 89% | 0.887 | 79% | 0.792 | S | S | * | * | | | trans | 178.9 | 150.8 | 134 | -93.4 | 153 | 0 | 0 | 0 | 109.4 | | |
| 760 | S | 28.9 | Very low | 33.4 | Very low | 101 Ų | 101 | 139.2 Ų | 139.2 | 71% | 0.706 | 79% | 0.788 | S | S | * | * | | | trans | -110.8 | 140.4 | -173.6 | 58.9 | 0 | 0 | 0 | 0 | 114.1 | | |
| 761 | T | 33 | Very low | 33.4 | Very low | 143 Ų | 143 | 140.2 Ų | 140.2 | 88% | 0.877 | 80% | 0.795 | S | S | * | * | | | trans | -155.6 | 171.3 | 154.1 | 5.2 | 0 | 0 | 0 | 0 | 113.1 | | |
| 762 | I | 33.4 | Very low | 33.6 | Very low | 154 Ų | 154 | 140.2 Ų | 140.2 | 79% | 0.79 | 79% | 0.791 | S | S | * | * | | | trans | -150.5 | 156.8 | -154.7 | -59.5 | 173.4 | 0 | 0 | 0 | 106.7 | | |
| 763 | P | 40.1 | Very low | 33.5 | Very low | 104 Ų | 104 | 143.6 Ų | 143.6 | 68% | 0.675 | 80% | 0.798 | S | S | * | * | | | cis | -136.5 | -166.3 | -27.5 | 41.2 | -22.9 | 0 | 0 | 0 | 114.9 | | |
| 764 | S | 33.1 | Very low | 33.5 | Very low | 107 Ų | 107 | 143.4 Ų | 143.4 | 75% | 0.748 | 80% | 0.796 | S | S | * | * | | | trans | 67.7 | 131.1 | 141.8 | -63.9 | 0 | 0 | 0 | 0 | 123.5 | | |
| 765 | Q | 34.9 | Very low | 33.3 | Very low | 173 Ų | 173 | 144.6 Ų | 144.6 | 81% | 0.808 | 80% | 0.8 | S | S | * | * | | | | -179.3 | 117.8 | 118.6 | -91.8 | -85.1 | -15.6 | 0 | 0 | 113.2 | | |
| 766 | H | 34.9 | Very low | 33.4 | Very low | 147 Ų | 147 | 148.5 Ų | 148.5 | 68% | 0.681 | 81% | 0.807 | S | S | * | * | | | trans | 31.7 | 124.4 | 134.3 | -118.5 | -75.5 | 0 | 0 | 0 | 122.8 | | |
| 767 | Q | 35.2 | Very low | 33.5 | Very low | 180 Ų | 180 | 141.7 Ų | 141.7 | 84% | 0.841 | 80% | 0.796 | S | S | * | * | | | | 178.8 | 175 | 102.8 | -95.7 | -175.8 | 9 | 0 | 0 | 114.3 | | |
| 768 | N | 31.2 | Very low | 33.7 | Very low | 142 Ų | 142 | 143.6 Ų | 143.6 | 76% | 0.759 | 80% | 0.799 | S | S | * | * | | | trans | -83.1 | 175.8 | -169.7 | -51.2 | -26.4 | 0 | 0 | 0 | 111.7 | | |
| 769 | E | 37.4 | Very low | 34 | Very low | 201 Ų | 201 | 140.8 Ų | 140.8 | 94% | 0.939 | 79% | 0.793 | S | S | * | * | | | | -157.3 | -174.2 | 61.3 | -84 | -161.8 | 133.1 | 0 | 0 | 115.6 | | |
| 770 | M | 32.1 | Very low | 34.3 | Very low | 165 Ų | 165 | 139.7 Ų | 139.7 | 81% | 0.813 | 79% | 0.786 | S | S | * | * | | | trans | -115.5 | 149.9 | -156.1 | 146.5 | -172.2 | 139.5 | 0 | 0 | 112.7 | | |
| 771 | S | 33.7 | Very low | 34.8 | Very low | 119 Ų | 119 | 140.6 Ų | 140.6 | 83% | 0.832 | 78% | 0.783 | S | S | * | * | | | trans | -170.4 | 160.9 | 142.1 | -85.3 | 0 | 0 | 0 | 0 | 112.7 | | |
| 772 | T | 33 | Very low | 34.8 | Very low | 116 Ų | 116 | 139.9 Ų | 139.9 | 71% | 0.712 | 77% | 0.774 | S | S | * | * | | | trans | -126.1 | 158.5 | -167.6 | 51.6 | 0 | 0 | 0 | 0 | 112.5 | | |
| 773 | E | 33.2 | Very low | 34.7 | Very low | 197 Ų | 197 | 137.9 Ų | 137.9 | 92% | 0.921 | 77% | 0.769 | S | S | * | * | | | trans | -162.5 | 169.3 | 139 | -116.4 | 166.4 | -144.3 | 0 | 0 | 113.5 | | |
| 774 | C | 28.8 | Very low | 34.3 | Very low | 103 Ų | 103 | 139.4 Ų | 139.4 | 70% | 0.696 | 77% | 0.769 | S | S | * | * | | | trans | -138.9 | 154.4 | -154.5 | -56.1 | 0 | 0 | 0 | 0 | 114.3 | | |
| 775 | V | 37.1 | Very low | 34.1 | Very low | 150 Ų | 150 | 138.7 Ų | 138.7 | 91% | 0.909 | 77% | 0.765 | S | S | * | * | | | trans | -142.7 | 152.8 | 149.2 | 178 | 0 | 0 | 0 | 0 | 109.4 | | |
| 776 | H | 32.5 | Very low | 33.8 | Very low | 177 Ų | 177 | 134.5 Ų | 134.5 | 82% | 0.819 | 75% | 0.754 | S | S | * | * | | | trans | -114.8 | 158.8 | -169.5 | -84.1 | 39.8 | 0 | 0 | 0 | 115 | | |
| 777 | G | 37 | Very low | 33.5 | Very low | 67 Ų | 67 | 133 Ų | 133 | 69% | 0.691 | 76% | 0.755 | S | S | * | * | | | trans | 132.4 | 145.1 | 136.7 | 0 | 0 | 0 | 0 | 0 | 117 | | |
| 778 | T | 38.2 | Very low | 33.1 | Very low | 131 Ų | 131 | 129.9 Ų | 129.9 | 80% | 0.804 | 75% | 0.752 | S | S | * | * | | | cis | -164.9 | 136.1 | -13.2 | 34.2 | 0 | 0 | 0 | 0 | 110.1 | | |
| 779 | S | 34 | Very low | 32.9 | Very low | 106 Ų | 106 | 130.7 Ų | 130.7 | 74% | 0.741 | 76% | 0.755 | S | S | * | * | | | trans | 61.7 | 151.3 | 147.6 | -74.4 | 0 | 0 | 0 | 0 | 120.7 | | |
| 780 | M | 39.3 | Very low | 32.7 | Very low | 150 Ų | 150 | 127.2 Ų | 127.2 | 74% | 0.739 | 75% | 0.748 | S | S | * | * | | | cis | -148.7 | 144 | 2.1 | -124.1 | -176 | -156.4 | 0 | 0 | 111.6 | | |
| 781 | N | 37.9 | Very low | 32.8 | Very low | 120 Ų | 120 | 125.5 Ų | 125.5 | 64% | 0.642 | 75% | 0.747 | S | S | * | * | | | trans | 68.3 | 134.7 | 141.4 | -65.6 | -5.4 | 0 | 0 | 0 | 121.8 | | |
| 782 | N | 32.9 | Very low | 33 | Very low | 129 Ų | 129 | 125.3 Ų | 125.3 | 69% | 0.69 | 74% | 0.743 | S | S | * | * | | | cis | -169.3 | 159.8 | -18 | -130.6 | -3.1 | 0 | 0 | 0 | 113.1 | | |
| 783 | V | 32 | Very low | 33 | Very low | 112 Ų | 112 | 125.6 Ų | 125.6 | 68% | 0.679 | 74% | 0.744 | S | S | * | * | | | trans | 59.2 | 132.1 | 138.9 | 160.5 | 0 | 0 | 0 | 0 | 118.8 | | |
| 784 | I | 32.7 | Very low | 33.2 | Very low | 135 Ų | 135 | 124.5 Ų | 124.5 | 69% | 0.692 | 74% | 0.741 | S | S | * | * | | | cis | -149.7 | 136.8 | -2.8 | -112 | 171.9 | 0 | 0 | 0 | 105.6 | | |
| 785 | S | 27.4 | Very low | 33.6 | Very low | 93 Ų | 93 | 124.5 Ų | 124.5 | 65% | 0.65 | 74% | 0.74 | S | S | * | * | | | | 69.7 | 148.2 | 65.5 | 126.5 | 0 | 0 | 0 | 0 | 113.9 | | |
| 786 | S | 29.2 | Very low | 33.5 | Very low | 84 Ų | 84 | 124.1 Ų | 124.1 | 59% | 0.587 | 73% | 0.733 | S | S | * | * | | | cis | -173.2 | 166.9 | -15.5 | 45.6 | 0 | 0 | 0 | 0 | 111.7 | | |
| 787 | T | 28.2 | Very low | 33.2 | Very low | 115 Ų | 115 | 121.4 Ų | 121.4 | 71% | 0.706 | 73% | 0.733 | S | S | * | * | | | trans | 60.4 | 115 | 145.8 | 45.6 | 0 | 0 | 0 | 0 | 120.3 | | |
| 788 | C | 26.3 | Very low | 33 | Very low | 115 Ų | 115 | 128.9 Ų | 128.9 | 78% | 0.777 | 74% | 0.742 | S | S | * | * | | | | 93.1 | 177.9 | 73.9 | -74 | 0 | 0 | 0 | 0 | 113.5 | | |
| 789 | I | 28 | Very low | 32.5 | Very low | 159 Ų | 159 | 128.9 Ų | 128.9 | 82% | 0.815 | 74% | 0.741 | S | S | * | * | | | trans | 79.5 | 127.7 | 176 | -57.6 | 166.4 | 0 | 0 | 0 | 113.2 | | |
| 790 | T | 32.9 | Very low | 32.4 | Very low | 128 Ų | 128 | 131.8 Ų | 131.8 | 79% | 0.785 | 75% | 0.747 | S | S | * | * | | | cis | -155.7 | 166.7 | -6 | 15.6 | 0 | 0 | 0 | 0 | 111.1 | | |
| 791 | T | 33.5 | Very low | 31.8 | Very low | 130 Ų | 130 | 136.3 Ų | 136.3 | 80% | 0.798 | 76% | 0.756 | S | S | * | * | | | trans | -113.4 | 155.6 | 172.2 | 50.5 | 0 | 0 | 0 | 0 | 113.6 | | |
| 792 | P | 38.4 | Very low | 31.4 | Very low | 114 Ų | 114 | 134.8 Ų | 134.8 | 74% | 0.74 | 76% | 0.76 | S | S | * | * | | | trans | -128.4 | 112.4 | 145.8 | 14.6 | 7 | 0 | 0 | 0 | 111.4 | | |
| 793 | T | 34.4 | Very low | 31.1 | Very low | 122 Ų | 122 | 134 Ų | 134 | 75% | 0.748 | 77% | 0.765 | S | S | * | * | | | | 63.9 | 96.9 | 99.2 | 61 | 0 | 0 | 0 | 0 | 117.5 | | |
| 794 | M | 36.5 | Very low | 31.1 | Very low | 174 Ų | 174 | 136.8 Ų | 136.8 | 86% | 0.857 | 78% | 0.775 | S | S | * | * | | | | 32.1 | 146.5 | 111.5 | -80.4 | -66 | -179.2 | 0 | 0 | 119.3 | | |
| 795 | P | 37.1 | Very low | 31 | Very low | 103 Ų | 103 | 138.4 Ų | 138.4 | 67% | 0.669 | 78% | 0.777 | S | S | * | * | | | | -158 | -179.1 | 58.8 | 45.1 | -24.5 | 0 | 0 | 0 | 120.8 | | |
| 796 | N | 36 | Very low | 31.5 | Very low | 143 Ų | 143 | 140 Ų | 140 | 77% | 0.765 | 79% | 0.785 | S | S | * | * | | | trans | 89.8 | 108.7 | 150.7 | -66.9 | -21 | 0 | 0 | 0 | 121.2 | | |
| 797 | C | 25 | Very low | 31.7 | Very low | 120 Ų | 120 | 142.8 Ų | 142.8 | 81% | 0.811 | 79% | 0.789 | S | S | * | * | | | trans | -75.4 | 156.3 | 157 | -45 | 0 | 0 | 0 | 0 | 111.3 | | |
| 798 | Y | 33.3 | Very low | 32 | Very low | 224 Ų | 224 | 143.7 Ų | 143.7 | 88% | 0.878 | 80% | 0.797 | S | S | * | * | | | trans | -153 | 130.1 | 142.7 | -107 | -72.2 | 0 | 0 | 0 | 111.7 | | |
| 799 | T | 27.8 | Very low | 32.3 | Very low | 130 Ų | 130 | 144.5 Ų | 144.5 | 80% | 0.798 | 80% | 0.798 | S | S | * | * | | | trans | -90.9 | 141.6 | 166.7 | 27.8 | 0 | 0 | 0 | 0 | 110.3 | | |
| 800 | I | 32.5 | Very low | 32.3 | Very low | 168 Ų | 168 | 144.3 Ų | 144.3 | 86% | 0.862 | 79% | 0.794 | S | S | * | * | | | trans | -165.8 | 157.3 | 156.4 | -106.2 | 149.3 | 0 | 0 | 0 | 111 | | |
| 801 | R | 25.2 | Very low | 32.2 | Very low | 244 Ų | 244 | 144.9 Ų | 144.9 | 92% | 0.921 | 80% | 0.797 | S | S | * | * | | | trans | -80.6 | 129.9 | 179.8 | -70.1 | 164.1 | 156.1 | 160.7 | -10.4 | 113.1 | | |
| 802 | A | 30.5 | Very low | 32.1 | Very low | 88 Ų | 88 | 148.2 Ų | 148.2 | 73% | 0.727 | 80% | 0.796 | S | S | * | * | | | trans | -163.1 | 131.6 | 143.3 | 0 | 0 | 0 | 0 | 0 | 106.5 | | |
| 803 | S | 27.2 | Very low | 31.9 | Very low | 113 Ų | 113 | 148.1 Ų | 148.1 | 79% | 0.79 | 80% | 0.796 | S | S | * | * | | | | 60 | 89.7 | 59.2 | -58.8 | 0 | 0 | 0 | 0 | 113.1 | | |
| 804 | L | 32 | Very low | 31.6 | Very low | 171 Ų | 171 | 147.6 Ų | 147.6 | 90% | 0.895 | 80% | 0.797 | S | S | * | * | | | trans | -179.6 | 134 | 135.7 | -97.8 | 159.2 | 0 | 0 | 0 | 112.1 | | |
| 805 | F | 30.5 | Very low | 31.3 | Very low | 168 Ų | 168 | 142.6 Ų | 142.6 | 74% | 0.737 | 79% | 0.79 | S | S | * | * | | | trans | -78 | 144.4 | 164.5 | -91.6 | -113.1 | 0 | 0 | 0 | 110.1 | Q807 | F805-Q807 HydrophobicContact CB-CG 4.14Å; F805-Q807 HydrophobicContact CD1-CG 4.08Å; F805-Q807 HydrophobicContact CG-CG 4.47Å |
| 806 | P | 38.2 | Very low | 30.8 | Very low | 126 Ų | 126 | 147.2 Ų | 147.2 | 82% | 0.818 | 80% | 0.8 | S | S | * | * | | | trans | -87.9 | 100.4 | 145.2 | 32.4 | -25.3 | 0 | 0 | 0 | 109.1 | | |
| 807 | Q | 31.7 | Very low | 30.5 | Very low | 144 Ų | 144 | 147.9 Ų | 147.9 | 67% | 0.673 | 80% | 0.798 | S | S | * | * | | | trans | -86.1 | 140.7 | 165.7 | -67.6 | -166.8 | 13 | 0 | 0 | 110.1 | F805 V809 | F805-Q807 HydrophobicContact CB-CG 4.14Å; F805-Q807 HydrophobicContact CD1-CG 4.08Å; F805-Q807 HydrophobicContact CG-CG 4.47Å; Q807-V809 PolarHBondContact O-N 3.14Å |
| 808 | P | 34.5 | Very low | 30.6 | Very low | 133 Ų | 133 | 149.6 Ų | 149.6 | 86% | 0.864 | 79% | 0.794 | S | S | * | * | | | trans | -71.8 | 105.1 | 163.4 | 29.9 | -31.1 | 0 | 0 | 0 | 109 | | |
| 809 | V | 32.6 | Very low | 30.3 | Very low | 132 Ų | 132 | 142.9 Ų | 142.9 | 80% | 0.8 | 78% | 0.78 | S | S | * | * | | | trans | -72.9 | 144.7 | 179.9 | 175.3 | 0 | 0 | 0 | 0 | 110.7 | Q807 | Q807-V809 PolarHBondContact O-N 3.14Š|
| 810 | Q | 29.1 | Very low | 30.4 | Very low | 156 Ų | 156 | 145 Ų | 145 | 73% | 0.729 | 78% | 0.781 | S | S | * | * | | | trans | -73.1 | 147.4 | 176.6 | -60.6 | -177.6 | 6.9 | 0 | 0 | 113 | | |
| 811 | T | 31.2 | Very low | 30.4 | Very low | 140 Ų | 140 | 141.4 Ų | 141.4 | 86% | 0.859 | 78% | 0.776 | S | S | * | * | | | trans | -148 | 111.3 | 141.4 | 19.8 | 0 | 0 | 0 | 0 | 110.8 | | |
| 812 | Y | 30.8 | Very low | 30.6 | Very low | 199 Ų | 199 | 134.1 Ų | 134.1 | 78% | 0.78 | 76% | 0.762 | S | S | * | * | | | trans | -79.4 | 150.5 | 153.5 | -75.5 | -87.4 | 0 | 0 | 0 | 108.7 | | |
| 813 | P | 34.9 | Very low | 31 | Very low | 112 Ų | 112 | 135.5 Ų | 135.5 | 73% | 0.727 | 76% | 0.764 | S | S | * | * | | | | -130.6 | 145 | 98.9 | 37.6 | -29.5 | 0 | 0 | 0 | 111.1 | | |
| 814 | S | 27.4 | Very low | 31 | Very low | 111 Ų | 111 | 139.2 Ų | 139.2 | 78% | 0.776 | 76% | 0.762 | S | S | * | * | | | cis | 68.8 | 119.2 | 46.2 | 80.5 | 0 | 0 | 0 | 0 | 113.7 | | |
| 815 | G | 30.7 | Very low | 30.8 | Very low | 69 Ų | 69 | 140.2 Ų | 140.2 | 71% | 0.711 | 76% | 0.759 | S | S | * | * | | | trans | 128.9 | 80.9 | -161.4 | 0 | 0 | 0 | 0 | 0 | 109.4 | | |
| 816 | F | 25.6 | Very low | 30.7 | Very low | 200 Ų | 200 | 138.8 Ų | 138.8 | 88% | 0.877 | 77% | 0.765 | S | S | * | * | | | cis | 58.9 | 86.3 | 48.9 | -110.2 | -73.6 | 0 | 0 | 0 | 112.1 | | |
| 817 | H | 29.8 | Very low | 30.1 | Very low | 157 Ų | 157 | 136.8 Ų | 136.8 | 73% | 0.727 | 76% | 0.759 | S | S | * | * | | | | -171.2 | 141.1 | 127.3 | -109.6 | -115.8 | 0 | 0 | 0 | 108.5 | | |
| 818 | H | 28 | Very low | 30.1 | Very low | 156 Ų | 156 | 137.8 Ų | 137.8 | 72% | 0.722 | 77% | 0.767 | S | S | * | * | | | | 45.3 | 131.9 | 103.1 | -70.9 | 93.8 | 0 | 0 | 0 | 115.1 | | |
| 819 | S | 26.7 | Very low | 29.7 | Very low | 83 Ų | 83 | 135.6 Ų | 135.6 | 58% | 0.58 | 76% | 0.76 | S | S | * | * | | | cis | -157.6 | -171.7 | 5.1 | -153.5 | 0 | 0 | 0 | 0 | 113 | | |
| 820 | Q | 28.6 | Very low | 29.6 | Very low | 176 Ų | 176 | 135.9 Ų | 135.9 | 82% | 0.822 | 77% | 0.766 | S | S | * | * | | | trans | -28.7 | 156.6 | 150 | -52.1 | 134.5 | 4.5 | 0 | 0 | 113.4 | | |
| 821 | A | 33.3 | Very low | 29.8 | Very low | 91 Ų | 91 | 133.7 Ų | 133.7 | 75% | 0.752 | 77% | 0.768 | S | S | * | * | | | cis | -155.7 | 169.2 | 30.1 | 0 | 0 | 0 | 0 | 0 | 114.4 | | |
| 822 | S | 29.2 | Very low | 30.3 | Very low | 91 Ų | 91 | 132 Ų | 132 | 64% | 0.636 | 76% | 0.759 | S | S | * | * | | | trans | -82.9 | 145.7 | 157 | 171.1 | 0 | 0 | 0 | 0 | 110.5 | Y824 | S822-Y824 PolarHBondContact OG-N 3.4Š|
| 823 | P | 39.5 | Very low | 30.6 | Very low | 117 Ų | 117 | 129.9 Ų | 129.9 | 76% | 0.76 | 76% | 0.762 | S | S | * | * | | | | -107.4 | 140.4 | 127.5 | 32.5 | -28.9 | 0 | 0 | 0 | 108.3 | | |
| 824 | Y | 27.2 | Very low | 30.4 | Very low | 192 Ų | 192 | 127.6 Ų | 127.6 | 75% | 0.753 | 76% | 0.758 | S | S | * | * | | | cis | 64.9 | 101.2 | 24.8 | -91.8 | -81.5 | 0 | 0 | 0 | 115.8 | S822 | S822-Y824 PolarHBondContact OG-N 3.4Š|
| 825 | F | 26.7 | Very low | 30.8 | Very low | 192 Ų | 192 | 130.4 Ų | 130.4 | 84% | 0.842 | 76% | 0.764 | S | S | * | * | | | trans | 36.7 | 101.4 | 142.3 | -84.6 | -95.1 | 0 | 0 | 0 | 119.8 | | |
| 826 | T | 29 | Very low | 30.9 | Very low | 138 Ų | 138 | 134.1 Ų | 134.1 | 85% | 0.847 | 77% | 0.767 | S | S | * | * | | | | -167.5 | 126 | 122.3 | 23 | 0 | 0 | 0 | 0 | 107 | | |
| 827 | A | 25.9 | Very low | 31.3 | Very low | 84 Ų | 84 | 128.4 Ų | 128.4 | 69% | 0.694 | 76% | 0.757 | S | S | * | * | | | | 86.9 | 152.5 | 61.7 | 0 | 0 | 0 | 0 | 0 | 113 | | |
| 828 | I | 31.4 | Very low | 31.4 | Very low | 164 Ų | 164 | 127.9 Ų | 127.9 | 84% | 0.841 | 76% | 0.759 | S | S | * | * | | | trans | 71.1 | 101.3 | -174.8 | -46.6 | 166.7 | 0 | 0 | 0 | 111.6 | | |
| 829 | A | 25.9 | Very low | 31.7 | Very low | 88 Ų | 88 | 129.2 Ų | 129.2 | 73% | 0.727 | 77% | 0.766 | S | S | * | * | | | cis | 78.5 | 105.4 | 41 | 0 | 0 | 0 | 0 | 0 | 114.9 | | |
| 830 | C | 31.5 | Very low | 31.9 | Very low | 137 Ų | 137 | 130 Ų | 130 | 93% | 0.926 | 78% | 0.778 | S | S | * | * | | | trans | -155.3 | 149.1 | 149.8 | -110.6 | 0 | 0 | 0 | 0 | 109.3 | | |
| 831 | S | 32.4 | Very low | 32.1 | Very low | 110 Ų | 110 | 125.1 Ų | 125.1 | 77% | 0.769 | 77% | 0.774 | S | S | * | * | | | trans | -136.9 | -165.9 | -168 | -47.6 | 0 | 0 | 0 | 0 | 108.9 | | |
| 832 | P | 42.8 | Very low | 32.2 | Very low | 104 Ų | 104 | 125.1 Ų | 125.1 | 68% | 0.675 | 77% | 0.774 | S | S | * | * | | | cis | -126.6 | -136.1 | -44.2 | 29.1 | -6.1 | 0 | 0 | 0 | 110.2 | | |
| 833 | D | 36.1 | Very low | 32.2 | Very low | 156 Ų | 156 | 129.2 Ų | 129.2 | 83% | 0.834 | 78% | 0.781 | S | S | * | * | | | trans | 76.3 | 135.5 | 164.3 | -52 | -33.7 | 0 | 0 | 0 | 118.2 | | |
| 834 | G | 30.3 | Very low | 31.9 | Very low | 63 Ų | 63 | 132.9 Ų | 132.9 | 65% | 0.649 | 79% | 0.785 | S | S | * | * | | | cis | 170.9 | 166.6 | -6.4 | 0 | 0 | 0 | 0 | 0 | 113 | | |
| 835 | L | 36.2 | Very low | 32.3 | Very low | 170 Ų | 170 | 127.8 Ų | 127.8 | 89% | 0.89 | 78% | 0.783 | S | S | * | * | | | trans | 73.4 | 130 | -180 | -48.9 | 170.5 | 0 | 0 | 0 | 114.6 | | |
| 836 | N | 32.8 | Very low | 33.2 | Very low | 147 Ų | 147 | 123.8 Ų | 123.8 | 79% | 0.786 | 78% | 0.776 | S | S | * | * | | | cis | 77.9 | 131.8 | 34 | -153.6 | 35.7 | 0 | 0 | 0 | 112.1 | | |
| 837 | A | 34.1 | Very low | 33.4 | Very low | 80 Ų | 80 | 124.9 Ų | 124.9 | 66% | 0.661 | 77% | 0.774 | S | S | * | * | | | cis | -151.6 | 168.7 | 16.7 | 0 | 0 | 0 | 0 | 0 | 115.3 | | |
| 838 | N | 31.5 | Very low | 34 | Very low | 146 Ų | 146 | 129.1 Ų | 129.1 | 78% | 0.781 | 78% | 0.783 | S | S | * | * | | | trans | -18.8 | 134.1 | 161.7 | -51.1 | -31.3 | 0 | 0 | 0 | 120.1 | | |
| 839 | Q | 35 | Very low | 34.3 | Very low | 185 Ų | 185 | 127 Ų | 127 | 86% | 0.864 | 78% | 0.778 | S | S | * | * | | | | 175.8 | 126.7 | 123 | -94 | 162.4 | 7.4 | 0 | 0 | 107.7 | | |
| 840 | A | 31.8 | Very low | 34.9 | Very low | 100 Ų | 100 | 127.9 Ų | 127.9 | 83% | 0.826 | 78% | 0.776 | S | S | * | * | | | | 61.9 | 113.9 | 59.4 | 0 | 0 | 0 | 0 | 0 | 112.7 | | |
| 841 | G | 32.3 | Very low | 34.9 | Very low | 72 Ų | 72 | 127.3 Ų | 127.3 | 74% | 0.742 | 77% | 0.768 | S | S | * | * | | | cis | 173.9 | 178.4 | -4 | 0 | 0 | 0 | 0 | 0 | 112.2 | | |
| 842 | A | 34.6 | Very low | 35.1 | Very low | 91 Ų | 91 | 131.1 Ų | 131.1 | 75% | 0.752 | 77% | 0.774 | S | S | * | * | | | trans | 65.7 | 142.2 | 178.1 | 0 | 0 | 0 | 0 | 0 | 115.6 | | |
| 843 | F | 29.7 | Very low | 34.9 | Very low | 178 Ų | 178 | 133.7 Ų | 133.7 | 78% | 0.781 | 78% | 0.781 | S | S | * | * | | | cis | 63.5 | 134.8 | 38.5 | -67.7 | -78.7 | 0 | 0 | 0 | 112.7 | | |
| 844 | F | 32.6 | Very low | 35.2 | Very low | 194 Ų | 194 | 131.8 Ų | 131.8 | 85% | 0.851 | 78% | 0.777 | S | S | * | * | | | cis | -133.4 | -179 | 8.1 | -98.2 | -75.3 | 0 | 0 | 0 | 112 | | |
| 845 | A | 36.5 | Very low | 35.7 | Very low | 84 Ų | 84 | 132.5 Ų | 132.5 | 69% | 0.694 | 78% | 0.777 | S | S | * | * | | | trans | -124.4 | -157.7 | 171.8 | 0 | 0 | 0 | 0 | 0 | 108.6 | | |
| 846 | P | 46 | Very low | 35.7 | Very low | 109 Ų | 109 | 131.4 Ų | 131.4 | 71% | 0.708 | 77% | 0.772 | S | S | * | * | | | | -125.8 | -149.3 | -51.9 | 31.4 | -10.8 | 0 | 0 | 0 | 110.9 | | |
| 847 | M | 32.7 | Very low | 35.9 | Very low | 161 Ų | 161 | 129.6 Ų | 129.6 | 79% | 0.793 | 77% | 0.767 | S | S | * | * | | | trans | 94.4 | 113.4 | 161.5 | -58 | -64 | -172.5 | 0 | 0 | 118.8 | | |
| 848 | I | 37.4 | Very low | 36 | Very low | 173 Ų | 173 | 131.7 Ų | 131.7 | 89% | 0.887 | 77% | 0.771 | S | S | * | * | | | | -157.6 | 163.9 | 115.8 | -98.7 | 158.2 | 0 | 0 | 0 | 108 | | |
| 849 | T | 38.6 | Very low | 36.5 | Very low | 120 Ų | 120 | 131 Ų | 131 | 74% | 0.736 | 77% | 0.772 | S | S | * | * | | | trans | -100 | -156.1 | -160.8 | 53.8 | 0 | 0 | 0 | 0 | 113.2 | | |
| 850 | P | 37.7 | Very low | 36.7 | Very low | 106 Ų | 106 | 127.7 Ų | 127.7 | 69% | 0.688 | 77% | 0.769 | S | S | * | * | | | | -126.4 | -166.1 | -103.5 | 38.7 | -19.6 | 0 | 0 | 0 | 114.4 | | |
| 851 | T | 32 | Very low | 37.3 | Very low | 124 Ų | 124 | 126 Ų | 126 | 76% | 0.761 | 76% | 0.762 | S | S | * | * | | | trans | 82.5 | 103.4 | 160.9 | -18 | 0 | 0 | 0 | 0 | 117.5 | | |
| 852 | Q | 37.3 | Very low | 37.8 | Very low | 190 Ų | 190 | 128.5 Ų | 128.5 | 89% | 0.888 | 76% | 0.763 | S | S | * | * | | | | -176.5 | 151.8 | 118.4 | -101.5 | 176 | -5.1 | 0 | 0 | 113.6 | | |
| 853 | L | 36.9 | Very low | 38.1 | Very low | 159 Ų | 159 | 130.8 Ų | 130.8 | 83% | 0.832 | 76% | 0.762 | S | S | * | * | | | trans | -91.1 | 176.3 | 165.6 | -101.6 | 74 | 0 | 0 | 0 | 109.4 | | |
| 854 | P | 43 | Very low | 38.5 | Very low | 116 Ų | 116 | 130.1 Ų | 130.1 | 75% | 0.753 | 77% | 0.766 | S | S | * | * | | | cis | -135.1 | -168.4 | -17.6 | 32.7 | -11.1 | 0 | 0 | 0 | 113.3 | | |
| 855 | A | 40.8 | Very low | 39 | Very low | 77 Ų | 77 | 126 Ų | 126 | 64% | 0.636 | 76% | 0.759 | S | S | * | * | | | | 133 | 140.1 | 123.5 | 0 | 0 | 0 | 0 | 0 | 117.1 | | |
| 856 | N | 36.7 | Very low | 39.1 | Very low | 147 Ų | 147 | 126.5 Ų | 126.5 | 79% | 0.786 | 76% | 0.763 | S | S | * | * | | | trans | 68 | 146.7 | 153.6 | -62.5 | -9.4 | 0 | 0 | 0 | 118.1 | | |
| 857 | T | 37.7 | Very low | 38.7 | Very low | 110 Ų | 110 | 126.2 Ų | 126.2 | 68% | 0.675 | 76% | 0.763 | S | S | * | * | | | cis | -156.8 | 124.8 | 0.1 | 2.9 | 0 | 0 | 0 | 0 | 112.4 | | |
| 858 | T | 35.4 | Very low | 38.4 | Very low | 123 Ų | 123 | 127.5 Ų | 127.5 | 76% | 0.755 | 77% | 0.765 | S | S | * | * | | | trans | 49.4 | 161.5 | 130.8 | 59.5 | 0 | 0 | 0 | 0 | 124.9 | | |
| 859 | V | 41.2 | Very low | 38.3 | Very low | 132 Ų | 132 | 127.2 Ų | 127.2 | 80% | 0.8 | 76% | 0.759 | S | S | * | * | | | trans | 94.8 | 130.9 | 160.2 | -173.4 | 0 | 0 | 0 | 0 | 116.2 | | |
| 860 | S | 38.8 | Very low | 38.3 | Very low | 115 Ų | 115 | 126.7 Ų | 126.7 | 80% | 0.804 | 76% | 0.758 | S | S | * | * | | | cis | -170.6 | 154.2 | -27.6 | -95.9 | 0 | 0 | 0 | 0 | 111 | | |
| 861 | G | 45.5 | Very low | 37.9 | Very low | 66 Ų | 66 | 125.6 Ų | 125.6 | 68% | 0.68 | 76% | 0.758 | S | S | * | * | | | trans | 101.2 | 144.1 | 155.4 | 0 | 0 | 0 | 0 | 0 | 117.4 | | |
| 862 | T | 43 | Very low | 37.9 | Very low | 123 Ų | 123 | 128.7 Ų | 128.7 | 76% | 0.755 | 76% | 0.764 | S | S | * | * | | | cis | -162.6 | 171.9 | -16.4 | -11.6 | 0 | 0 | 0 | 0 | 110.5 | | |
| 863 | D | 40.6 | Very low | 37.8 | Very low | 139 Ų | 139 | 124.4 Ų | 124.4 | 74% | 0.743 | 76% | 0.761 | S | S | * | * | | | trans | 62.8 | 82 | 158.4 | -48.2 | -30.9 | 0 | 0 | 0 | 118.5 | | |
| 864 | L | 38.9 | Very low | 37.6 | Very low | 165 Ų | 165 | 123.4 Ų | 123.4 | 86% | 0.864 | 76% | 0.756 | S | S | * | * | | | | 49.5 | 152.5 | 65.2 | -79.9 | 172.6 | 0 | 0 | 0 | 116 | | |
| 865 | P | 41.8 | Very low | 37.3 | Very low | 107 Ų | 107 | 124.2 Ų | 124.2 | 70% | 0.695 | 75% | 0.754 | S | S | * | * | | | cis | -141 | -178.5 | -0.1 | 39.6 | -20.1 | 0 | 0 | 0 | 117.8 | | |
| 866 | A | 38.8 | Very low | 37.2 | Very low | 94 Ų | 94 | 128.5 Ų | 128.5 | 78% | 0.777 | 76% | 0.761 | S | S | * | * | | | trans | 67.1 | 159.3 | 145.7 | 0 | 0 | 0 | 0 | 0 | 120.4 | | |
| 867 | S | 37.3 | Very low | 37.3 | Very low | 103 Ų | 103 | 125.9 Ų | 125.9 | 72% | 0.72 | 75% | 0.751 | S | S | * | * | | | cis | -163.3 | 132.4 | -16.7 | 41.5 | 0 | 0 | 0 | 0 | 108.1 | | |
| 868 | F | 27.8 | Very low | 37.4 | Very low | 188 Ų | 188 | 128 Ų | 128 | 83% | 0.825 | 75% | 0.754 | S | S | * | * | | | | 58.1 | 108.6 | 80.2 | -95.9 | -78 | 0 | 0 | 0 | 117.9 | | |
| 869 | H | 34.5 | Very low | 37.4 | Very low | 167 Ų | 167 | 130.3 Ų | 130.3 | 77% | 0.773 | 75% | 0.754 | S | S | * | * | | | trans | 62.4 | 170 | 160.6 | -78.1 | -52.1 | 0 | 0 | 0 | 118.7 | | |
| 870 | P | 39.5 | Very low | 37.1 | Very low | 109 Ų | 109 | 129.9 Ų | 129.9 | 71% | 0.708 | 75% | 0.751 | S | S | * | * | | | cis | -137.7 | -179.3 | -44.3 | 40.1 | -24.4 | 0 | 0 | 0 | 114.5 | | |
| 871 | A | 29.1 | Very low | 37.2 | Very low | 83 Ų | 83 | 128.2 Ų | 128.2 | 69% | 0.686 | 74% | 0.744 | S | S | * | * | | | trans | 68.2 | 132.2 | 143.7 | 0 | 0 | 0 | 0 | 0 | 124 | | |
| 872 | Q | 32.2 | Very low | 36.5 | Very low | 190 Ų | 190 | 130.7 Ų | 130.7 | 89% | 0.888 | 75% | 0.746 | S | S | * | * | | | trans | 69.4 | 136.5 | 140.7 | -74 | -174.9 | -39.5 | 0 | 0 | 124 | | |
| 873 | A | 33.4 | Very low | 36.1 | Very low | 100 Ų | 100 | 128.7 Ų | 128.7 | 83% | 0.826 | 74% | 0.743 | S | S | * | * | | | trans | 70 | 148.9 | 141 | 0 | 0 | 0 | 0 | 0 | 120.2 | | |
| 874 | N | 32.8 | Very low | 35.7 | Very low | 137 Ų | 137 | 129.6 Ų | 129.6 | 73% | 0.733 | 75% | 0.747 | S | S | * | * | | | cis | -168.2 | 179.4 | -20.8 | -172.8 | 19.5 | 0 | 0 | 0 | 108.7 | | |
| 875 | L | 38 | Very low | 35.3 | Very low | 133 Ų | 133 | 124.9 Ų | 124.9 | 70% | 0.696 | 74% | 0.739 | S | S | * | * | | | trans | 83.6 | 107.7 | 167 | -49.1 | 169.4 | 0 | 0 | 0 | 115.4 | | |
| 876 | Q | 37.9 | Very low | 34.9 | Very low | 168 Ų | 168 | 127.8 Ų | 127.8 | 79% | 0.785 | 75% | 0.747 | S | S | * | * | | | | 94 | 154.3 | 52.5 | -89.7 | -156.9 | -35.2 | 0 | 0 | 114.2 | | |
| 877 | P | 40.2 | Very low | 34.6 | Very low | 91 Ų | 91 | 128.4 Ų | 128.4 | 59% | 0.591 | 75% | 0.745 | S | S | * | * | | | cis | -139.1 | -167.4 | -14.7 | 37.8 | -17.4 | 0 | 0 | 0 | 115.6 | | |
| 878 | E | 39.7 | Very low | 34.4 | Very low | 156 Ų | 156 | 128.2 Ų | 128.2 | 73% | 0.729 | 74% | 0.742 | S | S | * | * | | | trans | 71.9 | 134.3 | 151.1 | -81.9 | 172.8 | -164.8 | 0 | 0 | 120.3 | | |
| 879 | F | 35 | Very low | 34.6 | Very low | 171 Ų | 171 | 125.1 Ų | 125.1 | 75% | 0.75 | 74% | 0.738 | S | S | * | * | | | cis | -129 | 139.4 | -8.8 | -94.1 | -96.9 | 0 | 0 | 0 | 107.1 | | |
| 880 | V | 35.6 | Very low | 34.5 | Very low | 122 Ų | 122 | 122.1 Ų | 122.1 | 74% | 0.739 | 74% | 0.736 | S | S | * | * | | | | 63.8 | 127 | 59.5 | -178.6 | 0 | 0 | 0 | 0 | 111.7 | | |
| 881 | A | 39.1 | Very low | 34 | Very low | 81 Ų | 81 | 125.5 Ų | 125.5 | 67% | 0.669 | 75% | 0.747 | S | S | * | * | | | cis | -130.9 | 145.1 | 28.1 | 0 | 0 | 0 | 0 | 0 | 111.8 | | |
| 882 | T | 32.2 | Very low | 34.2 | Very low | 117 Ų | 117 | 128.3 Ų | 128.3 | 72% | 0.718 | 75% | 0.75 | S | S | * | * | | | | 58.8 | 140.3 | 61.1 | 67.9 | 0 | 0 | 0 | 0 | 113.8 | | |
| 883 | A | 33.8 | Very low | 34.1 | Very low | 82 Ų | 82 | 125.4 Ų | 125.4 | 68% | 0.678 | 75% | 0.746 | S | S | * | * | | | cis | -168.3 | 170.9 | 1.2 | 0 | 0 | 0 | 0 | 0 | 108.8 | | |
| 884 | D | 32.4 | Very low | 34.2 | Very low | 157 Ų | 157 | 124.6 Ų | 124.6 | 84% | 0.84 | 75% | 0.746 | S | S | * | * | | | cis | -173.4 | 171.4 | -26.1 | -88.6 | -26.8 | 0 | 0 | 0 | 107.6 | | |
| 885 | G | 30 | Very low | 34.4 | Very low | 67 Ų | 67 | 123.8 Ų | 123.8 | 69% | 0.691 | 75% | 0.747 | S | S | * | * | | | trans | 136.6 | 111.4 | 148.2 | 0 | 0 | 0 | 0 | 0 | 120.8 | | |
| 886 | I | 33.6 | Very low | 34.4 | Very low | 168 Ų | 168 | 123 Ų | 123 | 86% | 0.862 | 75% | 0.75 | S | S | * | * | | | trans | 65.9 | 102.9 | 140.4 | -50.8 | 171.9 | 0 | 0 | 0 | 118.6 | | |
| 887 | S | 32.7 | Very low | 34.3 | Very low | 106 Ų | 106 | 121.1 Ų | 121.1 | 74% | 0.741 | 75% | 0.75 | S | S | * | * | | | trans | -84.7 | 159.1 | 148.8 | -170.7 | 0 | 0 | 0 | 0 | 109.6 | | |
| 888 | P | 34 | Very low | 34.1 | Very low | 100 Ų | 100 | 121.5 Ų | 121.5 | 65% | 0.649 | 75% | 0.753 | S | S | * | * | | | | -147.4 | 157.9 | 99.7 | 38.9 | -24 | 0 | 0 | 0 | 117.1 | | |
| 889 | T | 31.1 | Very low | 33.9 | Very low | 123 Ų | 123 | 121.2 Ų | 121.2 | 76% | 0.755 | 76% | 0.756 | S | S | * | * | | | trans | 73.5 | 141.4 | 146.4 | 42.8 | 0 | 0 | 0 | 0 | 122.6 | | |
| 890 | S | 31.8 | Very low | 33.8 | Very low | 104 Ų | 104 | 121.9 Ų | 121.9 | 73% | 0.727 | 76% | 0.758 | S | S | * | * | | | trans | 74.5 | 60.3 | 150.7 | -56.7 | 0 | 0 | 0 | 0 | 119.4 | L892 | S890-L892 PolarHBondContact O-N 2.93Š|
| 891 | L | 29.2 | Very low | 34 | Very low | 179 Ų | 179 | 123.3 Ų | 123.3 | 94% | 0.937 | 76% | 0.76 | S | S | * | * | | | trans | -62.2 | 111.2 | 149 | -79.9 | 159.9 | 0 | 0 | 0 | 110.4 | | |
| 892 | L | 33 | Very low | 34 | Very low | 143 Ų | 143 | 125 Ų | 125 | 75% | 0.749 | 76% | 0.762 | S | S | * | * | | | trans | -144 | 121.9 | 163.8 | -98.7 | 113.9 | 0 | 0 | 0 | 112.7 | S890 | S890-L892 PolarHBondContact O-N 2.93Š|
| 893 | T | 31.1 | Very low | 34.5 | Very low | 129 Ų | 129 | 125.3 Ų | 125.3 | 79% | 0.791 | 77% | 0.767 | S | S | * | * | | | trans | 46 | 95.1 | 146.8 | 58.4 | 0 | 0 | 0 | 0 | 118.8 | | |
| 894 | G | 36 | Very low | 34.9 | Very low | 82 Ų | 82 | 129 Ų | 129 | 85% | 0.845 | 78% | 0.775 | S | S | * | * | | | trans | -121.3 | 103.7 | 155 | 0 | 0 | 0 | 0 | 0 | 110.3 | | |
| 895 | T | 36.9 | Very low | 35.3 | Very low | 121 Ų | 121 | 130.3 Ų | 130.3 | 74% | 0.742 | 79% | 0.792 | S | S | * | * | | | trans | -83 | 147.6 | 178.9 | 42.1 | 0 | 0 | 0 | 0 | 111.8 | T897 | T895-T897 PolarHBondContact O-N 3.44Š|
| 896 | P | 36.6 | Very low | 35.6 | Very low | 117 Ų | 117 | 133.5 Ų | 133.5 | 76% | 0.76 | 80% | 0.797 | S | S | * | * | | | trans | -73.5 | 114 | 178.2 | 29.2 | -33.5 | 0 | 0 | 0 | 111 | C898 | P896-C898 PolarHBondContact O-N 3.06Å; P896-C898 VanDerWaalsContact O-N 3.09Å |
| 897 | T | 36.3 | Very low | 35.7 | Very low | 127 Ų | 127 | 131.6 Ų | 131.6 | 78% | 0.779 | 79% | 0.793 | S | S | * | * | | | trans | -80.6 | 85.1 | 179.6 | 38.9 | 0 | 0 | 0 | 0 | 112 | T895 I899 | T895-T897 PolarHBondContact O-N 3.44Å; T897-I899 PolarHBondContact O-N 2.95Å; T897-I899 VanDerWaalsContact O-N 3.13Å |
| 898 | C | 34.9 | Very low | 35.9 | Very low | 99 Ų | 99 | 133.1 Ų | 133.1 | 67% | 0.669 | 80% | 0.796 | S | S | * | * | | | trans | -67.2 | 106.6 | 171.8 | -65.5 | 0 | 0 | 0 | 0 | 111.4 | P896 F900 | P896-C898 PolarHBondContact O-N 3.06Å; P896-C898 VanDerWaalsContact O-N 3.09Å; C898-F900 HydrophobicContact CB-CD2 4.42Å; C898-F900 HydrophobicContact CB-CE2 4.19Å; C898-F900 PolarHBondContact O-N 2.87Å |
| 899 | I | 36 | Very low | 36 | Very low | 151 Ų | 151 | 135 Ų | 135 | 77% | 0.774 | 81% | 0.805 | S | S | * | * | | | trans | -78.1 | 99.4 | 177.9 | -57.1 | 173.8 | 0 | 0 | 0 | 109.7 | T897 I901 | T897-I899 PolarHBondContact O-N 2.95Å; T897-I899 VanDerWaalsContact O-N 3.13Å; I899-I901 HydrophobicContact CG2-CG1 4.18Å; I899-I901 PolarHBondContact O-N 3.45Å |
| 900 | F | 34.3 | Very low | 36.3 | Very low | 184 Ų | 184 | 135.8 Ų | 135.8 | 81% | 0.807 | 81% | 0.808 | S | S | * | * | | | trans | -81.6 | 104.1 | 170.6 | -84.4 | -85.6 | 0 | 0 | 0 | 111.2 | C898 T902 | C898-F900 HydrophobicContact CB-CD2 4.42Å; C898-F900 HydrophobicContact CB-CE2 4.19Å; C898-F900 PolarHBondContact O-N 2.87Å; F900-T902 PolarHBondContact O-N 3.29Å |
| 901 | I | 38.2 | Very low | 36.6 | Very low | 153 Ų | 153 | 137.9 Ų | 137.9 | 79% | 0.785 | 81% | 0.813 | S | S | * | * | | | trans | -82.1 | 104.9 | 168.8 | -55.5 | 175.8 | 0 | 0 | 0 | 108.4 | I899 | I899-I901 HydrophobicContact CG2-CG1 4.18Å; I899-I901 PolarHBondContact O-N 3.45Å |
| 902 | T | 40.6 | Very low | 37.1 | Very low | 115 Ų | 115 | 134.9 Ų | 134.9 | 71% | 0.706 | 81% | 0.805 | S | S | * | * | P | Polyproline II helix | trans | -86.3 | 133 | 168.8 | 51.7 | 0 | 0 | 0 | 0 | 110.6 | F900 | F900-T902 PolarHBondContact O-N 3.29Š|
| 903 | P | 43 | Very low | 37.4 | Very low | 125 Ų | 125 | 134.3 Ų | 134.3 | 81% | 0.812 | 81% | 0.809 | S | S | * | * | P | Polyproline II helix | trans | -63.9 | 143.1 | 167.3 | 28.2 | -33.5 | 0 | 0 | 0 | 110.5 | | |
| 904 | N | 40.3 | Very low | 37.9 | Very low | 159 Ų | 159 | 134.8 Ų | 134.8 | 85% | 0.85 | 81% | 0.81 | S | S | * | * | P | Polyproline II helix | trans | -74.3 | 161 | 179.3 | -117.7 | -12.4 | 0 | 0 | 0 | 111.6 | | |
| 905 | P | 42.2 | Very low | 38.1 | Very low | 184 Ų | 184 | 139.5 Ų | 139.5 | 100% | 1.195 | 81% | 0.807 | S | S | * | * | | | trans | -84 | 0 | -160.1 | 35.6 | -39.4 | 0 | 0 | 0 | 116.6 | | |