| 1 | M | 31.4 | Very low | 35.5 | Very low | 229 Ų | 229 | 134.5 Ų | 134.5 | 100% | 1.128 | 82% | 0.821 | S | S | * | * | | | | 0 | 91.3 | 0 | -69.5 | 159.4 | 179.5 | 0 | 0 | 105.7 | | |
| 2 | T | 36.1 | Very low | 35 | Very low | 132 Ų | 132 | 132.8 Ų | 132.8 | 81% | 0.81 | 81% | 0.81 | S | S | * | * | | | | 83 | 124.2 | 87.8 | 47.9 | 0 | 0 | 0 | 0 | 111.8 | | |
| 3 | S | 39.2 | Very low | 34.8 | Very low | 100 Ų | 100 | 132.8 Ų | 132.8 | 70% | 0.699 | 81% | 0.811 | S | S | * | * | | | cis | -168.9 | 147.4 | 1.7 | 41.7 | 0 | 0 | 0 | 0 | 113.1 | | |
| 4 | C | 39.3 | Very low | 35.1 | Very low | 116 Ų | 116 | 131.7 Ų | 131.7 | 78% | 0.784 | 81% | 0.807 | S | S | * | * | | | trans | 59.5 | 108 | 159.4 | -54.9 | 0 | 0 | 0 | 0 | 118.4 | | |
| 5 | V | 39.5 | Very low | 34.7 | Very low | 126 Ų | 126 | 136.6 Ų | 136.6 | 76% | 0.764 | 81% | 0.813 | S | S | * | * | | | | 81 | 108.1 | 68.3 | 167.9 | 0 | 0 | 0 | 0 | 111.8 | | |
| 6 | L | 41.3 | Very low | 34.3 | Very low | 164 Ų | 164 | 141.1 Ų | 141.1 | 86% | 0.859 | 82% | 0.82 | S | S | * | * | | | | 67.4 | 140.3 | 67.4 | -79.7 | 149.9 | 0 | 0 | 0 | 113.4 | | |
| 7 | A | 34.4 | Very low | 34 | Very low | 97 Ų | 97 | 143.6 Ų | 143.6 | 80% | 0.802 | 82% | 0.822 | S | S | * | * | | | cis | -145.2 | -169.2 | -0.6 | 0 | 0 | 0 | 0 | 0 | 108.6 | | |
| 8 | G | 31.7 | Very low | 33.7 | Very low | 78 Ų | 78 | 145.7 Ų | 145.7 | 80% | 0.804 | 82% | 0.816 | S | S | * | * | | | cis | -176.7 | -179.5 | 6.7 | 0 | 0 | 0 | 0 | 0 | 111.3 | | |
| 9 | S | 31.4 | Very low | 33.6 | Very low | 111 Ų | 111 | 143 Ų | 143 | 78% | 0.776 | 81% | 0.807 | S | S | * | * | | | trans | -95.3 | 170.5 | -175.7 | -167.3 | 0 | 0 | 0 | 0 | 113.6 | | |
| 10 | I | 35.9 | Very low | 33.5 | Very low | 167 Ų | 167 | 142.2 Ų | 142.2 | 86% | 0.856 | 80% | 0.801 | S | S | * | * | | | trans | 177.2 | 163.7 | 135.8 | -89.9 | 154.2 | 0 | 0 | 0 | 111.5 | | |
| 11 | E | 29.8 | Very low | 33.6 | Very low | 160 Ų | 160 | 143.3 Ų | 143.3 | 75% | 0.748 | 80% | 0.799 | S | S | * | * | | | trans | -99.4 | 163.8 | -159.4 | -64.3 | 168.6 | 89 | 0 | 0 | 117.5 | | |
| 12 | T | 30.4 | Very low | 33.6 | Very low | 113 Ų | 113 | 140.2 Ų | 140.2 | 69% | 0.693 | 78% | 0.784 | S | S | * | * | | | trans | 49.4 | 113 | 142.5 | 54.4 | 0 | 0 | 0 | 0 | 122.8 | | |
| 13 | T | 31.8 | Very low | 33.5 | Very low | 134 Ų | 134 | 140 Ų | 140 | 82% | 0.822 | 78% | 0.783 | S | S | * | * | | | trans | 48 | 163.7 | 132.3 | 45.3 | 0 | 0 | 0 | 0 | 122.8 | | |
| 14 | P | 38.9 | Very low | 33 | Very low | 117 Ų | 117 | 144.2 Ų | 144.2 | 76% | 0.76 | 79% | 0.789 | S | S | * | * | | | cis | -119 | 169.4 | -8.6 | 39.3 | -27 | 0 | 0 | 0 | 113.5 | | |
| 15 | K | 29.7 | Very low | 32.4 | Very low | 205 Ų | 205 | 144.1 Ų | 144.1 | 89% | 0.891 | 79% | 0.789 | S | S | * | * | | | trans | -137.1 | 147.9 | 154.9 | -80.9 | -166 | 174.3 | -174.7 | 0 | 110.5 | | |
| 16 | F | 28 | Very low | 31.9 | Very low | 209 Ų | 209 | 144.3 Ų | 144.3 | 92% | 0.917 | 80% | 0.795 | S | S | * | * | | | trans | -119.6 | 119.3 | -179 | -170.2 | -81.8 | 0 | 0 | 0 | 106.6 | | |
| 17 | E | 29.4 | Very low | 31.2 | Very low | 183 Ų | 183 | 146 Ų | 146 | 86% | 0.855 | 80% | 0.798 | S | S | * | * | | | trans | -148.3 | 156.5 | -177.3 | -159.5 | 151.1 | -137 | 0 | 0 | 110.1 | | |
| 18 | Y | 27.9 | Very low | 31.1 | Very low | 182 Ų | 182 | 146.6 Ų | 146.6 | 71% | 0.714 | 80% | 0.797 | S | S | * | * | | | trans | -124.3 | 136.2 | -156.4 | 172.7 | -82.7 | 0 | 0 | 0 | 111.2 | | |
| 19 | S | 32.6 | Very low | 31.3 | Very low | 94 Ų | 94 | 152.7 Ų | 152.7 | 66% | 0.657 | 80% | 0.801 | S | S | * | * | | | trans | -170.8 | 145.6 | 155.2 | 35.7 | 0 | 0 | 0 | 0 | 112.6 | H21 | S19-H21 PolarHBondContact O-CE1 2.81Š|
| 20 | D | 31.7 | Very low | 31.4 | Very low | 127 Ų | 127 | 154.2 Ų | 154.2 | 68% | 0.679 | 80% | 0.796 | S | S | * | * | | | trans | -75.8 | 149.5 | -173.4 | -49.3 | -95 | 0 | 0 | 0 | 114.1 | | |
| 21 | H | 35.8 | Very low | 31.2 | Very low | 165 Ų | 165 | 153.8 Ų | 153.8 | 76% | 0.764 | 79% | 0.79 | S | S | * | * | | | trans | -148.9 | 134.1 | 158.9 | 2.9 | -62.9 | 0 | 0 | 0 | 111.5 | S19 | S19-H21 PolarHBondContact O-CE1 2.81Š|
| 22 | M | 31.5 | Very low | 31.4 | Very low | 165 Ų | 165 | 154.8 Ų | 154.8 | 81% | 0.813 | 79% | 0.787 | S | S | * | * | | | trans | 24.7 | 135.7 | 150.8 | -62.8 | -77.5 | 100.8 | 0 | 0 | 118.9 | | |
| 23 | T | 33 | Very low | 31.6 | Very low | 127 Ų | 127 | 156.4 Ų | 156.4 | 78% | 0.779 | 79% | 0.792 | S | S | * | * | | | | -170.3 | 149.6 | 59.5 | -50.3 | 0 | 0 | 0 | 0 | 111.1 | | |
| 24 | F | 28.1 | Very low | 31.8 | Very low | 188 Ų | 188 | 158.2 Ų | 158.2 | 83% | 0.825 | 79% | 0.791 | S | S | * | * | | | trans | -92.4 | 137 | 165.1 | -75.9 | -96.8 | 0 | 0 | 0 | 111.3 | | |
| 25 | S | 27.7 | Very low | 31.5 | Very low | 114 Ų | 114 | 163.3 Ų | 163.3 | 80% | 0.797 | 80% | 0.795 | S | S | * | * | | | | 168.4 | 141.3 | 116.2 | -75.8 | 0 | 0 | 0 | 0 | 115 | | |
| 26 | C | 29.1 | Very low | 31.5 | Very low | 131 Ų | 131 | 161 Ų | 161 | 89% | 0.885 | 79% | 0.79 | S | S | * | * | | | trans | 19.4 | 120.6 | 151.2 | -60.4 | 0 | 0 | 0 | 0 | 121.5 | | |
| 27 | E | 27 | Very low | 31.7 | Very low | 199 Ų | 199 | 157.6 Ų | 157.6 | 93% | 0.93 | 78% | 0.781 | S | S | * | * | | | trans | -140.1 | 130.9 | 140.5 | -169.8 | 161.8 | -130.4 | 0 | 0 | 110.2 | | |
| 28 | S | 31.5 | Very low | 31.7 | Very low | 109 Ų | 109 | 155.7 Ų | 155.7 | 76% | 0.762 | 78% | 0.777 | S | S | * | * | | | trans | -163.3 | 121 | 167.3 | 59.8 | 0 | 0 | 0 | 0 | 112.2 | | |
| 29 | K | 36.6 | Very low | 31.6 | Very low | 206 Ų | 206 | 157.3 Ų | 157.3 | 90% | 0.896 | 78% | 0.783 | S | S | * | * | | | trans | 170.2 | 105.5 | 151.6 | -99.5 | 163.3 | -178.2 | -180 | 0 | 112.5 | | |
| 30 | E | 33.1 | Very low | 31.7 | Very low | 144 Ų | 144 | 157.7 Ų | 157.7 | 67% | 0.673 | 78% | 0.783 | S | S | * | * | | | trans | -169.1 | 124.3 | 138.3 | -101.1 | -170.8 | 74.9 | 0 | 0 | 104.2 | R32 | E30-R32 IonicContact OE1-CZ 3.44Å; E30-R32 VanDerWaalsContact OE1-CZ 3.22Å; E30-R32 IonicContact OE1-NH1 2.68Å; E30-R32 PolarHBondContact OE1-NH1 2.68Å; E30-R32 IonicContact OE1-NH2 2.81Å; E30-R32 PolarHBondContact OE1-NH2 3.43Å |
| 31 | E | 32.6 | Very low | 31.7 | Very low | 157 Ų | 157 | 156.7 Ų | 156.7 | 73% | 0.734 | 79% | 0.787 | S | S | * | * | | | | 73.5 | 111.3 | 66 | -165.1 | -174.9 | 140.6 | 0 | 0 | 113.6 | | |
| 32 | R | 32.3 | Very low | 31.6 | Very low | 181 Ų | 181 | 158.4 Ų | 158.4 | 68% | 0.683 | 80% | 0.795 | S | S | * | * | | | | -176.9 | 123.8 | 128.9 | -98.1 | 154.7 | -162.2 | 80.8 | 1.5 | 111.9 | E30 | E30-R32 IonicContact OE1-CZ 3.44Å; E30-R32 VanDerWaalsContact OE1-CZ 3.22Å; E30-R32 IonicContact OE1-NH1 2.68Å; E30-R32 PolarHBondContact OE1-NH1 2.68Å; E30-R32 IonicContact OE1-NH2 2.81Å; E30-R32 PolarHBondContact OE1-NH2 3.43Å |
| 33 | D | 36.2 | Very low | 31.8 | Very low | 148 Ų | 148 | 156.5 Ų | 156.5 | 79% | 0.791 | 79% | 0.792 | S | S | * | * | | | trans | -88.9 | 132.5 | 168.5 | -94.3 | -43.6 | 0 | 0 | 0 | 111.3 | | |
| 34 | Q | 34.6 | Very low | 32.3 | Very low | 171 Ų | 171 | 156.1 Ų | 156.1 | 80% | 0.799 | 80% | 0.795 | S | S | * | * | | | trans | -172.8 | 104.9 | 158.8 | -98.4 | 136.3 | 95.2 | 0 | 0 | 106.6 | | |
| 35 | R | 33.4 | Very low | 32.5 | Very low | 225 Ų | 225 | 150.5 Ų | 150.5 | 85% | 0.849 | 79% | 0.79 | S | S | * | * | | | | 49.8 | 117.5 | 64.1 | -59 | -153.4 | -66.9 | -167.1 | -3.2 | 114 | | |
| 36 | I | 30.1 | Very low | 33 | Very low | 155 Ų | 155 | 153.7 Ų | 153.7 | 80% | 0.795 | 79% | 0.789 | S | S | * | * | | | | 170.4 | 129.6 | 125.3 | -91.7 | 161.9 | 0 | 0 | 0 | 114.7 | | |
| 37 | L | 31.4 | Very low | 33.2 | Very low | 138 Ų | 138 | 155 Ų | 155 | 72% | 0.723 | 79% | 0.788 | S | S | * | * | | | trans | 49.8 | 118.7 | 151.4 | -61.5 | 172.6 | 0 | 0 | 0 | 124.5 | | |
| 38 | D | 30.1 | Very low | 33.7 | Very low | 143 Ų | 143 | 150.9 Ų | 150.9 | 77% | 0.765 | 78% | 0.781 | S | S | * | * | | | | 40 | 120.9 | 111.2 | -49 | -0.5 | 0 | 0 | 0 | 121.6 | | |
| 39 | Y | 25.2 | Very low | 33.7 | Very low | 216 Ų | 216 | 154.9 Ų | 154.9 | 85% | 0.847 | 79% | 0.788 | S | S | * | * | | | | -178.8 | 142.8 | 103 | -160.1 | -98 | 0 | 0 | 0 | 111.4 | | |
| 40 | P | 35.9 | Very low | 33.5 | Very low | 102 Ų | 102 | 154.6 Ų | 154.6 | 66% | 0.662 | 78% | 0.781 | S | S | * | * | | | trans | -81.4 | 134.3 | 176.2 | 31.9 | -34.4 | 0 | 0 | 0 | 112.9 | | |
| 41 | S | 30 | Very low | 33.7 | Very low | 107 Ų | 107 | 155.3 Ų | 155.3 | 75% | 0.748 | 78% | 0.782 | S | S | * | * | | | trans | -114.5 | 105 | 172.8 | -173.1 | 0 | 0 | 0 | 0 | 110.5 | V43 | S41-V43 PolarHBondContact O-N 3.28Š|
| 42 | E | 35.2 | Very low | 33.8 | Very low | 200 Ų | 200 | 154.1 Ų | 154.1 | 94% | 0.935 | 78% | 0.776 | S | S | * | * | | | trans | -77.8 | 104.2 | 174.2 | -68.7 | -166.9 | 163.7 | 0 | 0 | 110.7 | | |
| 43 | V | 34.4 | Very low | 34 | Very low | 125 Ų | 125 | 153.3 Ų | 153.3 | 76% | 0.758 | 78% | 0.778 | S | S | * | * | | | trans | -108.9 | 121.6 | 168.6 | 164.9 | 0 | 0 | 0 | 0 | 110.1 | S41 G45 | S41-V43 PolarHBondContact O-N 3.28Å; V43-G45 PolarHBondContact O-N 3.28Å |
| 44 | S | 43.6 | Very low | 34.1 | Very low | 119 Ų | 119 | 152.8 Ų | 152.8 | 83% | 0.832 | 78% | 0.775 | S | S | * | * | | | trans | -55.6 | 118.7 | -179.8 | -177.2 | 0 | 0 | 0 | 0 | 112.7 | | |
| 45 | G | 32 | Very low | 34.3 | Very low | 70 Ų | 70 | 151.1 Ų | 151.1 | 72% | 0.722 | 78% | 0.777 | S | S | * | * | | | trans | -137.2 | 33.1 | -164.2 | 0 | 0 | 0 | 0 | 0 | 116.1 | V43 N47 | V43-G45 PolarHBondContact O-N 3.28Å; G45-N47 PolarHBondContact O-N 3.49Å |
| 46 | K | 37.9 | Very low | 34.8 | Very low | 181 Ų | 181 | 149.5 Ų | 149.5 | 79% | 0.787 | 78% | 0.776 | S | S | * | * | | | trans | -4 | 114.3 | 166.3 | 51.8 | -176.4 | 174.5 | -175.7 | 0 | 118.3 | | |
| 47 | N | 33.5 | Very low | 35.4 | Very low | 159 Ų | 159 | 150.3 Ų | 150.3 | 85% | 0.85 | 78% | 0.776 | S | S | * | * | | | trans | 60.9 | 89.6 | 142.6 | -54.4 | -6.6 | 0 | 0 | 0 | 119.3 | G45 | G45-N47 PolarHBondContact O-N 3.49Š|
| 48 | S | 37.7 | Very low | 36.1 | Very low | 113 Ų | 113 | 149.4 Ų | 149.4 | 79% | 0.79 | 78% | 0.779 | S | S | * | * | | | | -155.8 | 106.3 | 127.4 | -170.5 | 0 | 0 | 0 | 0 | 110.8 | R50 | S48-R50 PolarHBondContact O-N 2.93Š|
| 49 | Q | 31.7 | Very low | 37 | Very low | 193 Ų | 193 | 151.3 Ų | 151.3 | 90% | 0.902 | 78% | 0.783 | S | S | * | * | | | trans | -80.4 | 73 | 175.1 | -164 | 177.6 | 41.3 | 0 | 0 | 109.8 | K51 | Q49-K51 VanDerWaalsContact C-N 3.26Å; Q49-K51 PolarHBondContact O-N 3.12Å |
| 50 | R | 33.8 | Very low | 38.1 | Very low | 200 Ų | 200 | 143.9 Ų | 143.9 | 76% | 0.755 | 77% | 0.772 | S | S | * | * | | | trans | -62.6 | 92.6 | 165.4 | -171.8 | -173.7 | -164 | -172.7 | 5.9 | 107.4 | S48 E52 | S48-R50 PolarHBondContact O-N 2.93Å; R50-E52 VanDerWaalsContact C-N 3.26Å; R50-E52 IonicContact NH1-OE1 3.84Å; R50-E52 PolarHBondContact O-N 3.15Å |
| 51 | K | 35.6 | Very low | 39.1 | Very low | 158 Ų | 158 | 144.6 Ų | 144.6 | 69% | 0.687 | 77% | 0.768 | S | S | * | * | | | trans | -66.5 | 91.4 | 174.6 | -173.8 | 173.4 | -176.9 | 175.1 | 0 | 107.9 | Q49 F53 | Q49-K51 VanDerWaalsContact C-N 3.26Å; Q49-K51 PolarHBondContact O-N 3.12Å; K51-F53 HydrophobicContact CD-CE1 4.19Å; K51-F53 HydrophobicContact CD-CZ 4.5Å; K51-F53 HydrophobicContact CG-CE1 4.37Å; K51-F53 WeakPolarHBondContact O-CD2 3.18Å; K51-F53 WeakPolarHBondContact O-CE2 3.35Å; K51-F53 PolarHBondContact O-N 3Å |
| 52 | E | 35.2 | Very low | 40.6 | Very low | 132 Ų | 132 | 147 Ų | 147 | 62% | 0.617 | 77% | 0.767 | S | S | * | * | | | trans | -69.9 | 96.7 | 179.8 | -158.9 | 149.6 | -108.2 | 0 | 0 | 108 | R50 N54 | R50-E52 VanDerWaalsContact C-N 3.26Å; R50-E52 IonicContact NH1-OE1 3.84Å; R50-E52 PolarHBondContact O-N 3.15Å; E52-N54 VanDerWaalsContact C-N 3.32Å; E52-N54 PolarHBondContact O-N 3.45Å; E52-N54 PolarHBondContact O-ND2 2.75Å |
| 53 | F | 36.1 | Very low | 41.4 | Very low | 165 Ų | 165 | 148.1 Ų | 148.1 | 72% | 0.724 | 77% | 0.769 | S | S | * | * | | | trans | -62.4 | 98.9 | 176 | -57.8 | -82.6 | 0 | 0 | 0 | 107.1 | K51 T55 | K51-F53 HydrophobicContact CD-CE1 4.19Å; K51-F53 HydrophobicContact CD-CZ 4.5Å; K51-F53 HydrophobicContact CG-CE1 4.37Å; K51-F53 WeakPolarHBondContact O-CD2 3.18Å; K51-F53 WeakPolarHBondContact O-CE2 3.35Å; K51-F53 PolarHBondContact O-N 3Å; F53-T55 VanDerWaalsContact C-N 3.27Å; F53-T55 PolarHBondContact O-N 2.95Å |
| 54 | N | 38.4 | Very low | 42.5 | Very low | 137 Ų | 137 | 145.3 Ų | 145.3 | 73% | 0.733 | 77% | 0.765 | S | S | * | * | | | trans | -65.1 | 93.1 | 175.7 | -85.7 | -112.5 | 0 | 0 | 0 | 107.3 | E52 K56 | E52-N54 VanDerWaalsContact C-N 3.32Å; E52-N54 PolarHBondContact O-N 3.45Å; E52-N54 PolarHBondContact O-ND2 2.75Å; N54-K56 VanDerWaalsContact C-N 3.32Å; N54-K56 PolarHBondContact O-N 3.25Å |
| 55 | T | 39 | Very low | 43.2 | Very low | 135 Ų | 135 | 144.4 Ų | 144.4 | 83% | 0.828 | 75% | 0.751 | S | S | * | * | | | trans | -59.2 | 98.8 | 170.6 | -50.1 | 0 | 0 | 0 | 0 | 106.7 | F53 E57 | F53-T55 VanDerWaalsContact C-N 3.27Å; F53-T55 PolarHBondContact O-N 2.95Å; T55-E57 VanDerWaalsContact C-N 3.34Å; T55-E57 PolarHBondContact O-N 2.71Å |
| 56 | K | 44.1 | Very low | 44.9 | Very low | 192 Ų | 192 | 148.8 Ų | 148.8 | 84% | 0.835 | 76% | 0.757 | S | S | * | * | | | trans | -67 | 101.3 | 173.9 | -69.6 | -162.8 | 174.8 | -168.1 | 0 | 107 | N54 | N54-K56 VanDerWaalsContact C-N 3.32Å; N54-K56 PolarHBondContact O-N 3.25Å |
| 57 | E | 42.9 | Very low | 45.9 | Very low | 172 Ų | 172 | 148.2 Ų | 148.2 | 80% | 0.804 | 76% | 0.755 | S | S | * | * | | | trans | -46.8 | 129.3 | 170.3 | -173.8 | 178.3 | -169.2 | 0 | 0 | 108.5 | T55 Q59 | T55-E57 VanDerWaalsContact C-N 3.34Å; T55-E57 PolarHBondContact O-N 2.71Å; E57-Q59 PolarHBondContact O-N 2.81Å |
| 58 | P | 45.6 | Very low | 46.8 | Very low | 119 Ų | 119 | 149.8 Ų | 149.8 | 77% | 0.773 | 75% | 0.754 | S | S | * | * | | | trans | -64.7 | 107.1 | 179.7 | 26.2 | -32.7 | 0 | 0 | 0 | 108.1 | G60 | P58-G60 PolarHBondContact O-N 3.37Š|
| 59 | Q | 48.6 | Very low | 47.6 | Very low | 182 Ų | 182 | 147.6 Ų | 147.6 | 85% | 0.85 | 74% | 0.743 | S | S | * | * | | | trans | -43.9 | 106.1 | -176.4 | -175.8 | 99.5 | 45.4 | 0 | 0 | 110.3 | E57 M61 | E57-Q59 PolarHBondContact O-N 2.81Å; Q59-M61 PolarHBondContact O-N 3.14Å |
| 60 | G | 49.8 | Very low | 48.4 | Very low | 60 Ų | 60 | 146.2 Ų | 146.2 | 62% | 0.619 | 74% | 0.737 | S | S | * | * | P | Polyproline II helix | trans | -57.3 | 125.6 | -174 | 0 | 0 | 0 | 0 | 0 | 110.9 | P58 Q62 | P58-G60 PolarHBondContact O-N 3.37Å; G60-Q62 PolarHBondContact O-N 2.92Å |
| 61 | M | 55.8 | Low | 49.5 | Very low | 118 Ų | 118 | 146.1 Ų | 146.1 | 58% | 0.581 | 74% | 0.738 | S | S | * | * | P | Polyproline II helix | trans | -54.7 | 126.7 | 178.6 | -68.2 | -166.9 | 74.9 | 0 | 0 | 109.8 | Q59 D65 F67 | Q59-M61 PolarHBondContact O-N 3.14Å; M61-D65 HydrophobicContact CE-CB 3.59Å; M61-F67 HydrophobicContact CE-CE1 4.14Å; M61-F67 HydrophobicContact CE-CE2 3.79Å; M61-F67 HydrophobicContact CE-CZ 3.43Å; M61-F67 VanDerWaalsContact CE-CZ 3.43Å; M61-F67 HydrophobicContact SD-CE2 4.21Å; M61-F67 HydrophobicContact SD-CZ 3.84Å |
| 62 | Q | 62 | Low | 50.6 | Low | 156 Ų | 156 | 144.6 Ų | 144.6 | 73% | 0.729 | 74% | 0.741 | S | S | * | * | P | Polyproline II helix | trans | -69.6 | 149.4 | -175.6 | -68.6 | -167.5 | -3.1 | 0 | 0 | 110.2 | G60 G64 D65 | G60-Q62 PolarHBondContact O-N 2.92Å; Q62-G64 PolarHBondContact O-N 3.3Å; Q62-D65 PolarHBondContact O-N 2.99Å; Q62-D65 VanDerWaalsContact O-N 3.1Å |
| 63 | K | 52.3 | Low | 51 | Low | 225 Ų | 225 | 147.2 Ų | 147.2 | 98% | 0.978 | 75% | 0.751 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -70.9 | 68.7 | -179.1 | -168.4 | -178.5 | 178.3 | -179 | 0 | 111 | | |
| 64 | G | 57.7 | Low | 52.5 | Low | 66 Ų | 66 | 145.8 Ų | 145.8 | 68% | 0.68 | 75% | 0.75 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 176.4 | -17.1 | -167.6 | 0 | 0 | 0 | 0 | 0 | 114 | Q62 L66 | Q62-G64 PolarHBondContact O-N 3.3Å; G64-L66 PolarHBondContact O-N 3.33Å |
| 65 | D | 57.8 | Low | 53.9 | Low | 100 Ų | 100 | 144.7 Ų | 144.7 | 54% | 0.535 | 75% | 0.748 | S | S | . | * | | | trans | -69.1 | 77.2 | 173.8 | -83.1 | -38.8 | 0 | 0 | 0 | 112.1 | M61 Q62 F67 | M61-D65 HydrophobicContact CE-CB 3.59Å; Q62-D65 PolarHBondContact O-N 2.99Å; Q62-D65 VanDerWaalsContact O-N 3.1Å; D65-F67 PolarHBondContact O-N 3Å |
| 66 | L | 68 | Low | 54.5 | Low | 162 Ų | 162 | 144.7 Ų | 144.7 | 85% | 0.848 | 74% | 0.743 | S | S | * | * | | | trans | -81.2 | 92.9 | 174.7 | -165.6 | 74.6 | 0 | 0 | 0 | 109.5 | G64 K68 | G64-L66 PolarHBondContact O-N 3.33Å; L66-K68 PolarHBondContact O-N 2.85Å |
| 67 | F | 58.4 | Low | 54.9 | Low | 168 Ų | 168 | 141 Ų | 141 | 74% | 0.737 | 74% | 0.741 | S | S | * | * | | | trans | -46.2 | 119.3 | 178.5 | -70.8 | -86 | 0 | 0 | 0 | 112.6 | M61 D65 A69 | M61-F67 HydrophobicContact CE-CE1 4.14Å; M61-F67 HydrophobicContact CE-CE2 3.79Å; M61-F67 HydrophobicContact CE-CZ 3.43Å; M61-F67 VanDerWaalsContact CE-CZ 3.43Å; M61-F67 HydrophobicContact SD-CE2 4.21Å; M61-F67 HydrophobicContact SD-CZ 3.84Å; D65-F67 PolarHBondContact O-N 3Å; F67-A69 PolarHBondContact O-N 2.81Å |
| 68 | K | 51.3 | Low | 55.3 | Low | 192 Ų | 192 | 140.3 Ų | 140.3 | 84% | 0.835 | 74% | 0.743 | S | S | * | * | | | trans | -75.8 | 99.2 | 167.6 | -71.7 | 177.6 | 176.8 | -70.9 | 0 | 109.3 | L66 | L66-K68 PolarHBondContact O-N 2.85Š|
| 69 | A | 55.8 | Low | 55.5 | Low | 68 Ų | 68 | 138 Ų | 138 | 56% | 0.562 | 74% | 0.741 | S | S | * | * | | | trans | -88.2 | 107.2 | 167.6 | 0 | 0 | 0 | 0 | 0 | 109.6 | F67 Y71 | F67-A69 PolarHBondContact O-N 2.81Å; A69-Y71 HydrophobicContact CB-CE2 4.06Å |
| 70 | E | 47.8 | Very low | 55.4 | Low | 164 Ų | 164 | 138.4 Ų | 138.4 | 77% | 0.766 | 74% | 0.743 | S | S | * | * | | | trans | -89.8 | 120.4 | 174 | -66.1 | -174.1 | 173.2 | 0 | 0 | 109.9 | | |
| 71 | Y | 57.8 | Low | 55.5 | Low | 197 Ų | 197 | 142.4 Ų | 142.4 | 77% | 0.773 | 75% | 0.75 | S | S | * | * | | | trans | -95.9 | 105.9 | -178.8 | -72.1 | -86.6 | 0 | 0 | 0 | 110.6 | A69 | A69-Y71 HydrophobicContact CB-CE2 4.06Š|
| 72 | V | 58.2 | Low | 54.9 | Low | 126 Ų | 126 | 144.7 Ų | 144.7 | 76% | 0.764 | 76% | 0.759 | S | S | * | * | | | trans | -83.9 | 112.6 | 172 | -176.9 | 0 | 0 | 0 | 0 | 109.3 | I74 | V72-I74 HydrophobicContact CG1-CG1 4.13Å; V72-I74 PolarHBondContact O-N 2.83Å |
| 73 | F | 43.4 | Very low | 53.8 | Low | 187 Ų | 187 | 141 Ų | 141 | 82% | 0.82 | 76% | 0.755 | S | S | * | * | | | trans | -82.8 | 108 | 166.6 | -86.6 | -91.1 | 0 | 0 | 0 | 109.6 | | |
| 74 | I | 67.7 | Low | 53 | Low | 135 Ų | 135 | 135.5 Ų | 135.5 | 69% | 0.692 | 74% | 0.74 | S | S | * | * | | | trans | -86.6 | 126 | 165.4 | -55.7 | 177.4 | 0 | 0 | 0 | 107 | V72 | V72-I74 HydrophobicContact CG1-CG1 4.13Å; V72-I74 PolarHBondContact O-N 2.83Å |
| 75 | V | 67.2 | Low | 51.9 | Low | 115 Ų | 115 | 138 Ų | 138 | 70% | 0.697 | 75% | 0.747 | S | S | * | * | | | trans | -116 | 106.8 | 170.6 | 178.9 | 0 | 0 | 0 | 0 | 106.8 | S77 | V75-S77 PolarHBondContact O-N 3.39Š|
| 76 | D | 52.3 | Low | 50.9 | Low | 135 Ų | 135 | 144.4 Ų | 144.4 | 72% | 0.722 | 76% | 0.763 | S | S | * | * | | | trans | -65.2 | 115.5 | 171.4 | -62.9 | -38 | 0 | 0 | 0 | 108 | D78 | D76-D78 PolarHBondContact O-N 3.24Š|
| 77 | S | 52.6 | Low | 49.3 | Very low | 113 Ų | 113 | 145.5 Ų | 145.5 | 79% | 0.79 | 76% | 0.764 | S | S | * | * | | | trans | -82.3 | 92.6 | 174.2 | -63.6 | 0 | 0 | 0 | 0 | 108.3 | V75 G79 | V75-S77 PolarHBondContact O-N 3.39Å; S77-G79 VanDerWaalsContact C-N 3.26Å; S77-G79 PolarHBondContact O-N 2.8Å |
| 78 | D | 50.5 | Low | 48 | Very low | 159 Ų | 159 | 140.8 Ų | 140.8 | 85% | 0.85 | 76% | 0.763 | S | S | * | * | | | trans | -61.5 | 88.1 | 170.4 | -84.7 | -34.2 | 0 | 0 | 0 | 109.8 | D76 E80 | D76-D78 PolarHBondContact O-N 3.24Å; D78-E80 PolarHBondContact O-N 2.93Å |
| 79 | G | 50.8 | Low | 47.1 | Very low | 71 Ų | 71 | 140.7 Ų | 140.7 | 73% | 0.732 | 77% | 0.766 | S | S | * | * | | | trans | -82.7 | 87 | 175 | 0 | 0 | 0 | 0 | 0 | 111 | S77 D81 | S77-G79 VanDerWaalsContact C-N 3.26Å; S77-G79 PolarHBondContact O-N 2.8Å; G79-D81 VanDerWaalsContact C-N 3.29Å; G79-D81 PolarHBondContact O-N 3.14Å |
| 80 | E | 46.9 | Very low | 46 | Very low | 190 Ų | 190 | 146.8 Ų | 146.8 | 89% | 0.888 | 78% | 0.782 | S | S | * | * | | | trans | -73.5 | 78.8 | 171.4 | 54 | -177.7 | 179.2 | 0 | 0 | 111.8 | D78 E82 | D78-E80 PolarHBondContact O-N 2.93Å; E80-E82 PolarHBondContact O-N 2.7Å; E80-E82 VanDerWaalsContact O-N 3.08Å |
| 81 | D | 52.3 | Low | 45.1 | Very low | 143 Ų | 143 | 142.1 Ų | 142.1 | 77% | 0.765 | 78% | 0.778 | S | S | * | * | | | trans | -75.8 | 86.4 | 169.8 | -175.3 | 30.5 | 0 | 0 | 0 | 110.6 | G79 A83 | G79-D81 VanDerWaalsContact C-N 3.29Å; G79-D81 PolarHBondContact O-N 3.14Å; D81-A83 PolarHBondContact O-N 3.26Å |
| 82 | E | 42 | Very low | 44.2 | Very low | 167 Ų | 167 | 138.9 Ų | 138.9 | 78% | 0.78 | 78% | 0.781 | S | S | * | * | | | trans | -74.1 | 76.8 | 173 | -163.9 | -178.8 | -172 | 0 | 0 | 110.6 | E80 T84 | E80-E82 PolarHBondContact O-N 2.7Å; E80-E82 VanDerWaalsContact O-N 3.08Å; E82-T84 VanDerWaalsContact C-N 3.31Å; E82-T84 HydrophobicContact CG-CG2 4.42Å; E82-T84 PolarHBondContact O-N 2.9Å |
| 83 | A | 38.2 | Very low | 43.5 | Very low | 77 Ų | 77 | 139.3 Ų | 139.3 | 64% | 0.636 | 79% | 0.787 | S | S | * | * | | | trans | -63.2 | 82.1 | -178.6 | 0 | 0 | 0 | 0 | 0 | 112.7 | D81 C85 | D81-A83 PolarHBondContact O-N 3.26Å; A83-C85 VanDerWaalsContact C-N 3.27Å; A83-C85 PolarHBondContact O-N 3.24Å |
| 84 | T | 37.4 | Very low | 42.8 | Very low | 110 Ų | 110 | 134 Ų | 134 | 68% | 0.675 | 78% | 0.784 | S | S | * | * | | | trans | -72.3 | 75.1 | -179.8 | 45.1 | 0 | 0 | 0 | 0 | 112.2 | E82 R86 | E82-T84 VanDerWaalsContact C-N 3.31Å; E82-T84 HydrophobicContact CG-CG2 4.42Å; E82-T84 PolarHBondContact O-N 2.9Å; T84-R86 PolarHBondContact O-N 2.94Å |
| 85 | C | 32.6 | Very low | 40.9 | Very low | 120 Ų | 120 | 131.9 Ų | 131.9 | 81% | 0.811 | 79% | 0.788 | S | S | * | * | | | trans | -62.3 | 89.2 | 179.9 | -171.7 | 0 | 0 | 0 | 0 | 112.5 | A83 | A83-C85 VanDerWaalsContact C-N 3.27Å; A83-C85 PolarHBondContact O-N 3.24Å |
| 86 | R | 36.8 | Very low | 39.6 | Very low | 233 Ų | 233 | 133.3 Ų | 133.3 | 88% | 0.879 | 80% | 0.797 | S | S | * | * | | | trans | -87.5 | 99.5 | 168.3 | -75.4 | -75.2 | 178.7 | 169.5 | -3 | 109.1 | T84 G88 | T84-R86 PolarHBondContact O-N 2.94Å; R86-G88 PolarHBondContact O-N 2.9Å |
| 87 | Q | 35.3 | Very low | 38.5 | Very low | 185 Ų | 185 | 130.6 Ų | 130.6 | 86% | 0.864 | 80% | 0.801 | S | S | * | * | | | trans | -60.4 | 126 | 163 | -73.4 | -165.4 | 11.7 | 0 | 0 | 109.4 | | |
| 88 | G | 30.6 | Very low | 37.6 | Very low | 70 Ų | 70 | 132.9 Ų | 132.9 | 72% | 0.722 | 80% | 0.804 | S | S | * | * | | | trans | -95.8 | 95.5 | 170.1 | 0 | 0 | 0 | 0 | 0 | 110.4 | R86 | R86-G88 PolarHBondContact O-N 2.9Š|
| 89 | E | 33.3 | Very low | 36.7 | Very low | 190 Ų | 190 | 133 Ų | 133 | 89% | 0.888 | 80% | 0.803 | S | S | * | * | | | trans | -77.8 | 127.5 | 161.3 | -170.4 | 174.3 | -162.3 | 0 | 0 | 108.4 | | |
| 90 | Q | 32.8 | Very low | 35.9 | Very low | 195 Ų | 195 | 133.8 Ų | 133.8 | 91% | 0.911 | 80% | 0.803 | S | S | * | * | | | trans | -98.2 | 116.9 | -174.2 | -63.7 | -177 | 19.8 | 0 | 0 | 110.8 | | |
| 91 | G | 28.8 | Very low | 35.2 | Very low | 66 Ų | 66 | 131 Ų | 131 | 68% | 0.68 | 80% | 0.799 | S | S | * | * | | | trans | -120.7 | 155.3 | 171.9 | 0 | 0 | 0 | 0 | 0 | 111.6 | | |
| 92 | P | 38.7 | Very low | 34.2 | Very low | 129 Ų | 129 | 135.1 Ų | 135.1 | 84% | 0.838 | 80% | 0.804 | S | S | * | * | | | trans | -74.4 | 156.4 | -162.5 | 28.3 | -35.7 | 0 | 0 | 0 | 115.3 | | |
| 93 | P | 43.1 | Very low | 34.1 | Very low | 135 Ų | 135 | 132.4 Ų | 132.4 | 88% | 0.877 | 80% | 0.8 | S | S | * | * | | | trans | -84 | 148.5 | -169.9 | 33.5 | -36.6 | 0 | 0 | 0 | 114.6 | | |
| 94 | G | 29.9 | Very low | 33.9 | Very low | 75 Ų | 75 | 137.5 Ų | 137.5 | 77% | 0.773 | 81% | 0.808 | S | S | * | * | | | trans | -156.9 | 112.4 | 176.7 | 0 | 0 | 0 | 0 | 0 | 116 | | |
| 95 | A | 27.7 | Very low | 33.6 | Very low | 92 Ų | 92 | 137.3 Ų | 137.3 | 76% | 0.76 | 81% | 0.811 | S | S | * | * | | | trans | 49.1 | 97.5 | 147.3 | 0 | 0 | 0 | 0 | 0 | 122.2 | | |
| 96 | T | 38.1 | Very low | 33.5 | Very low | 145 Ų | 145 | 140.1 Ų | 140.1 | 89% | 0.89 | 82% | 0.818 | S | S | * | * | | | | 49.6 | 124.9 | 127 | 55.1 | 0 | 0 | 0 | 0 | 123.4 | | |
| 97 | G | 30.6 | Very low | 33.2 | Very low | 78 Ų | 78 | 133.1 Ų | 133.1 | 80% | 0.804 | 81% | 0.809 | S | S | * | * | | | trans | 109.3 | 151.4 | 154.9 | 0 | 0 | 0 | 0 | 0 | 115.1 | | |
| 98 | N | 34.2 | Very low | 33 | Very low | 161 Ų | 161 | 132.6 Ų | 132.6 | 86% | 0.861 | 81% | 0.811 | S | S | * | * | | | cis | -155.4 | -170.4 | -9.6 | 61.6 | 8.6 | 0 | 0 | 0 | 111.2 | | |
| 99 | I | 31.2 | Very low | 33 | Very low | 160 Ų | 160 | 134.6 Ų | 134.6 | 82% | 0.821 | 81% | 0.813 | S | S | * | * | | | trans | -89.1 | 136.2 | -169.8 | -62.5 | 156.8 | 0 | 0 | 0 | 112.5 | | |
| 100 | A | 32.5 | Very low | 32.7 | Very low | 89 Ų | 89 | 130.6 Ų | 130.6 | 74% | 0.736 | 81% | 0.806 | S | S | * | * | | | trans | -172.3 | 110.9 | 144.3 | 0 | 0 | 0 | 0 | 0 | 117.2 | | |
| 101 | T | 32.1 | Very low | 32.5 | Very low | 132 Ų | 132 | 126.2 Ų | 126.2 | 81% | 0.81 | 80% | 0.798 | S | S | * | * | | | | 44.6 | 129.9 | 121.2 | -43.1 | 0 | 0 | 0 | 0 | 124.1 | | |
| 102 | R | 33.3 | Very low | 32.6 | Very low | 228 Ų | 228 | 130.7 Ų | 130.7 | 86% | 0.86 | 81% | 0.805 | S | S | * | * | | | trans | -88.5 | 140.4 | 170.8 | 171.6 | -161.4 | -175.3 | -154.2 | 7.2 | 114.3 | | |
| 103 | P | 39.6 | Very low | 32.2 | Very low | 110 Ų | 110 | 129 Ų | 129 | 71% | 0.714 | 80% | 0.802 | S | S | * | * | | | trans | -130.9 | 130 | 141.9 | 16.7 | 4.7 | 0 | 0 | 0 | 112.7 | | |
| 104 | K | 33.3 | Very low | 31.5 | Very low | 185 Ų | 185 | 127.9 Ų | 127.9 | 80% | 0.804 | 80% | 0.797 | S | S | * | * | | | | 77.6 | 102.4 | 85.6 | -72.7 | -175.5 | 179.7 | 179 | 0 | 116 | | |
| 105 | S | 30.3 | Very low | 31.4 | Very low | 105 Ų | 105 | 131.1 Ų | 131.1 | 73% | 0.734 | 80% | 0.797 | S | S | * | * | | | trans | 7.1 | 139.9 | 139.9 | 57.8 | 0 | 0 | 0 | 0 | 121.3 | | |
| 106 | L | 30.6 | Very low | 31.5 | Very low | 180 Ų | 180 | 132 Ų | 132 | 94% | 0.942 | 79% | 0.792 | S | S | * | * | | | | -162 | 172.4 | 117.2 | -108.6 | 167.3 | 0 | 0 | 0 | 111.7 | | |
| 107 | A | 32 | Very low | 31 | Very low | 85 Ų | 85 | 131.1 Ų | 131.1 | 70% | 0.702 | 79% | 0.787 | S | S | * | * | | | trans | -123.9 | 153.3 | -177.9 | 0 | 0 | 0 | 0 | 0 | 111.4 | | |
| 108 | I | 31 | Very low | 31 | Very low | 175 Ų | 175 | 138.6 Ų | 138.6 | 90% | 0.897 | 79% | 0.791 | S | S | * | * | | | trans | -134.6 | 149.3 | 172 | -59.4 | -177.3 | 0 | 0 | 0 | 109.6 | | |
| 109 | S | 29.4 | Very low | 31.2 | Very low | 111 Ų | 111 | 136.4 Ų | 136.4 | 78% | 0.776 | 79% | 0.785 | S | S | * | * | | | trans | -94 | 173.6 | -166.5 | -56.9 | 0 | 0 | 0 | 0 | 115 | | |
| 110 | S | 27.8 | Very low | 31 | Very low | 106 Ų | 106 | 138.1 Ų | 138.1 | 74% | 0.741 | 79% | 0.787 | S | S | * | * | | | trans | -50.4 | 148.6 | 168.7 | 53.9 | 0 | 0 | 0 | 0 | 115.9 | | |
| 111 | S | 28.3 | Very low | 30.9 | Very low | 104 Ų | 104 | 139.9 Ų | 139.9 | 73% | 0.727 | 79% | 0.788 | S | S | * | * | | | | 161.9 | 168.8 | 99.8 | 58.3 | 0 | 0 | 0 | 0 | 114.4 | | |
| 112 | L | 31.2 | Very low | 30.8 | Very low | 159 Ų | 159 | 144.2 Ų | 144.2 | 83% | 0.832 | 79% | 0.789 | S | S | * | * | | | trans | 64.3 | 110.8 | 162.6 | -99.4 | 66.2 | 0 | 0 | 0 | 121.4 | | |
| 113 | A | 29.2 | Very low | 30.5 | Very low | 94 Ų | 94 | 136.5 Ų | 136.5 | 78% | 0.777 | 78% | 0.78 | S | S | * | * | | | | 63.9 | 150.8 | 116.8 | 0 | 0 | 0 | 0 | 0 | 123.4 | | |
| 114 | S | 29 | Very low | 30.1 | Very low | 112 Ų | 112 | 137.3 Ų | 137.3 | 78% | 0.783 | 78% | 0.783 | S | S | * | * | | | trans | -37.5 | 163 | 166.5 | -36.9 | 0 | 0 | 0 | 0 | 115.7 | | |
| 115 | D | 28.3 | Very low | 29.8 | Very low | 142 Ų | 142 | 135.6 Ų | 135.6 | 76% | 0.759 | 78% | 0.783 | S | S | * | * | | | cis | -167.5 | 174.4 | 34.5 | -162.5 | 11.6 | 0 | 0 | 0 | 113.6 | | |
| 116 | V | 30.1 | Very low | 29.9 | Very low | 110 Ų | 110 | 136.1 Ų | 136.1 | 67% | 0.667 | 78% | 0.781 | S | S | * | * | | | trans | 69.4 | 129.7 | 141.4 | 129.8 | 0 | 0 | 0 | 0 | 122.5 | | |
| 117 | V | 27.8 | Very low | 29.8 | Very low | 127 Ų | 127 | 136.4 Ų | 136.4 | 77% | 0.77 | 78% | 0.775 | S | S | * | * | | | trans | 72.7 | 125 | 150.9 | 170.4 | 0 | 0 | 0 | 0 | 121.6 | | |
| 118 | R | 29.9 | Very low | 29.5 | Very low | 236 Ų | 236 | 138.1 Ų | 138.1 | 89% | 0.891 | 78% | 0.777 | S | S | * | * | | | trans | -93.7 | 152.3 | 153.8 | -48.9 | -174.6 | -153 | 112.5 | -1.6 | 108.2 | | |
| 119 | P | 38.9 | Very low | 29.4 | Very low | 114 Ų | 114 | 135 Ų | 135 | 74% | 0.74 | 77% | 0.77 | S | S | * | * | | | | -158.8 | 155.2 | 72.1 | 41.2 | -20.2 | 0 | 0 | 0 | 120 | | |
| 120 | K | 27.2 | Very low | 29.3 | Very low | 197 Ų | 197 | 135.2 Ų | 135.2 | 86% | 0.857 | 77% | 0.772 | S | S | * | * | | | | 47.6 | 137.5 | 128.7 | -158.5 | 87.2 | 168.8 | -171.9 | 0 | 121.1 | | |
| 121 | V | 29.8 | Very low | 29.2 | Very low | 125 Ų | 125 | 138.7 Ų | 138.7 | 76% | 0.758 | 78% | 0.776 | S | S | * | * | | | trans | 135.9 | 146.9 | 149.6 | 160.8 | 0 | 0 | 0 | 0 | 110.1 | | |
| 122 | R | 28.9 | Very low | 30.3 | Very low | 224 Ų | 224 | 138.5 Ų | 138.5 | 85% | 0.845 | 77% | 0.772 | S | S | * | * | | | cis | -173.7 | 136.6 | -32.2 | -174.4 | -164.6 | -59.4 | -157.9 | 3.3 | 106.2 | | |
| 123 | G | 28.6 | Very low | 30 | Very low | 65 Ų | 65 | 140 Ų | 140 | 67% | 0.67 | 78% | 0.775 | S | S | * | * | | | trans | 157.9 | 114.8 | 179.2 | 0 | 0 | 0 | 0 | 0 | 110.2 | | |
| 124 | V | 30.5 | Very low | 30.1 | Very low | 127 Ų | 127 | 142.7 Ų | 142.7 | 77% | 0.77 | 77% | 0.774 | S | S | * | * | | | cis | 72.2 | 114.7 | 20.9 | -166.3 | 0 | 0 | 0 | 0 | 109.8 | | |
| 125 | D | 26.7 | Very low | 31.2 | Very low | 149 Ų | 149 | 141.6 Ų | 141.6 | 80% | 0.797 | 77% | 0.765 | S | S | * | * | | | cis | -161.2 | -171.8 | 14.9 | -148.8 | -11.8 | 0 | 0 | 0 | 115.6 | | |
| 126 | V | 33 | Very low | 31.3 | Very low | 116 Ų | 116 | 143.3 Ų | 143.3 | 70% | 0.703 | 77% | 0.768 | S | S | * | * | | | trans | 70.2 | 84.8 | 153.7 | -178.6 | 0 | 0 | 0 | 0 | 119.9 | | |
| 127 | K | 28.9 | Very low | 31.2 | Very low | 187 Ų | 187 | 141.7 Ų | 141.7 | 81% | 0.813 | 77% | 0.773 | S | S | * | * | | | | 19.8 | 142.6 | 110.2 | -97 | -169.6 | 165.5 | -175.3 | 0 | 122.7 | | |
| 128 | V | 26.1 | Very low | 31.4 | Very low | 121 Ų | 121 | 144.1 Ų | 144.1 | 73% | 0.733 | 78% | 0.78 | S | S | * | * | | | | 90.3 | 151.4 | 129.2 | 160.4 | 0 | 0 | 0 | 0 | 121.7 | | |
| 129 | S | 28.4 | Very low | 31.4 | Very low | 110 Ų | 110 | 136.9 Ų | 136.9 | 77% | 0.769 | 77% | 0.771 | S | S | * | * | | | trans | 91.2 | 139.1 | 167.2 | 71.9 | 0 | 0 | 0 | 0 | 117.6 | | |
| 130 | S | 27.1 | Very low | 32 | Very low | 115 Ų | 115 | 136.7 Ų | 136.7 | 80% | 0.804 | 77% | 0.77 | S | S | * | * | | | cis | -162.1 | 158.8 | -17.4 | 44.9 | 0 | 0 | 0 | 0 | 114.3 | | |
| 131 | H | 25.3 | Very low | 32.2 | Very low | 179 Ų | 179 | 136 Ų | 136 | 83% | 0.829 | 77% | 0.769 | S | S | * | * | | | trans | -51.2 | -177.8 | 154.7 | -90.1 | -55.6 | 0 | 0 | 0 | 114.5 | | |
| 132 | P | 51.5 | Low | 32.4 | Very low | 99 Ų | 99 | 138.3 Ų | 138.3 | 64% | 0.643 | 77% | 0.772 | S | S | * | * | | | cis | -139.5 | -175.1 | -36.4 | 39.2 | -22.6 | 0 | 0 | 0 | 113.2 | | |
| 133 | E | 24.9 | Very low | 32.5 | Very low | 190 Ų | 190 | 138.1 Ų | 138.1 | 89% | 0.888 | 78% | 0.777 | S | S | * | * | | | trans | -164.1 | 171.3 | 132.3 | -118.2 | 176.7 | 149.7 | 0 | 0 | 114.6 | | |
| 134 | I | 31.6 | Very low | 32.6 | Very low | 151 Ų | 151 | 143 Ų | 143 | 77% | 0.774 | 78% | 0.782 | S | S | * | * | | | trans | -160.3 | -173.2 | -169.6 | 2.1 | 172.3 | 0 | 0 | 0 | 107.7 | | |
| 135 | P | 51.2 | Low | 32.4 | Very low | 89 Ų | 89 | 140.3 Ų | 140.3 | 58% | 0.578 | 78% | 0.78 | S | S | * | * | | | cis | -135.9 | -158.9 | -15.4 | 33.7 | -10 | 0 | 0 | 0 | 113.8 | | |
| 136 | H | 30.5 | Very low | 32.7 | Very low | 179 Ų | 179 | 141.1 Ų | 141.1 | 83% | 0.829 | 78% | 0.779 | S | S | * | * | | | trans | 130.8 | 111.2 | 149.5 | -63.6 | -48 | 0 | 0 | 0 | 110.9 | | |
| 137 | G | 28 | Very low | 32.5 | Very low | 76 Ų | 76 | 145.5 Ų | 145.5 | 78% | 0.784 | 79% | 0.789 | S | S | * | * | | | | 109.4 | 145.5 | 78.6 | 0 | 0 | 0 | 0 | 0 | 108.2 | | |
| 138 | I | 33.5 | Very low | 32.7 | Very low | 177 Ų | 177 | 143.1 Ų | 143.1 | 91% | 0.908 | 79% | 0.79 | S | S | * | * | | | cis | -141.8 | 163.7 | 7.4 | -58.5 | 173 | 0 | 0 | 0 | 107.9 | | |
| 139 | A | 28.7 | Very low | 33.1 | Very low | 85 Ų | 85 | 142.6 Ų | 142.6 | 70% | 0.702 | 79% | 0.79 | S | S | * | * | | | trans | -107.7 | -151.8 | -178 | 0 | 0 | 0 | 0 | 0 | 113 | | |
| 140 | P | 51.8 | Low | 33.4 | Very low | 109 Ų | 109 | 143.2 Ų | 143.2 | 71% | 0.708 | 79% | 0.791 | S | S | * | * | | | | -124.6 | -179.9 | -85.7 | 38.3 | -24.3 | 0 | 0 | 0 | 114.3 | | |
| 141 | Q | 32.2 | Very low | 33.5 | Very low | 183 Ų | 183 | 144.1 Ų | 144.1 | 86% | 0.855 | 79% | 0.791 | S | S | * | * | | | trans | -138.4 | 153.2 | 155.7 | -91.6 | -55.9 | -30.3 | 0 | 0 | 113.1 | | |
| 142 | Q | 33.5 | Very low | 34.1 | Very low | 174 Ų | 174 | 141.4 Ų | 141.4 | 81% | 0.813 | 79% | 0.79 | S | S | * | * | | | trans | -117.6 | 155.1 | -177.9 | -58 | 170.2 | -93.3 | 0 | 0 | 111 | | |
| 143 | K | 30.8 | Very low | 33.1 | Very low | 219 Ų | 219 | 141 Ų | 141 | 95% | 0.952 | 80% | 0.795 | S | S | * | * | | | | -162.5 | 177.5 | 119.1 | -113.4 | 176.5 | -176.2 | -178.5 | 0 | 114 | | |
| 144 | H | 30.3 | Very low | 33.4 | Very low | 167 Ų | 167 | 142.2 Ų | 142.2 | 77% | 0.773 | 80% | 0.797 | S | S | * | * | | | trans | -122.5 | 149.6 | -157 | 154.8 | 106.3 | 0 | 0 | 0 | 111.4 | | |
| 145 | G | 27.1 | Very low | 33.6 | Very low | 71 Ų | 71 | 141.5 Ų | 141.5 | 73% | 0.732 | 80% | 0.799 | S | S | * | * | | | trans | -176.3 | 117.6 | 166 | 0 | 0 | 0 | 0 | 0 | 113.4 | | |
| 146 | Q | 32.6 | Very low | 32.7 | Very low | 166 Ų | 166 | 142.4 Ų | 142.4 | 78% | 0.776 | 81% | 0.808 | S | S | * | * | | | trans | -91 | 145.6 | 168.4 | -67.2 | 177.8 | -17.7 | 0 | 0 | 111.1 | | |
| 147 | K | 29.5 | Very low | 32.8 | Very low | 208 Ų | 208 | 137.6 Ų | 137.6 | 90% | 0.904 | 81% | 0.806 | S | S | * | * | | | | -177.3 | 161.6 | 128.5 | -99.2 | 156 | -174.5 | 178.5 | 0 | 112.9 | | |
| 148 | T | 31.3 | Very low | 33.1 | Very low | 137 Ų | 137 | 140 Ų | 140 | 84% | 0.84 | 81% | 0.806 | S | S | * | * | P | Polyproline II helix | trans | -84.7 | 170.5 | -172.7 | 14.3 | 0 | 0 | 0 | 0 | 113.5 | | |
| 149 | P | 35.3 | Very low | 33.4 | Very low | 111 Ų | 111 | 137 Ų | 137 | 72% | 0.721 | 80% | 0.796 | S | S | * | * | P | Polyproline II helix | trans | -97.1 | 165.6 | -152.6 | 38.2 | -39.4 | 0 | 0 | 0 | 116.2 | | |
| 150 | P | 35 | Very low | 34 | Very low | 123 Ų | 123 | 138 Ų | 138 | 80% | 0.799 | 79% | 0.794 | S | S | * | * | P | Polyproline II helix | trans | -86.6 | 159.2 | 162.8 | 35.9 | -33.3 | 0 | 0 | 0 | 113.3 | | |
| 151 | V | 28.3 | Very low | 33.8 | Very low | 134 Ų | 134 | 137.2 Ų | 137.2 | 81% | 0.812 | 78% | 0.783 | S | S | * | * | P | Polyproline II helix | trans | -64.9 | 142 | 178.4 | 177.6 | 0 | 0 | 0 | 0 | 111.9 | | |
| 152 | P | 37.8 | Very low | 34.6 | Very low | 122 Ų | 122 | 133.6 Ų | 133.6 | 79% | 0.792 | 77% | 0.766 | S | S | * | * | P | Polyproline II helix | trans | -67.9 | 133.6 | 175.2 | 27.9 | -35.2 | 0 | 0 | 0 | 112.4 | | |
| 153 | A | 31 | Very low | 35.1 | Very low | 91 Ų | 91 | 130 Ų | 130 | 75% | 0.752 | 75% | 0.749 | S | S | * | * | P | Polyproline II helix | trans | -77.5 | 152.2 | 175.8 | 0 | 0 | 0 | 0 | 0 | 112.4 | V155 | A153-V155 PolarHBondContact O-N 2.93Š|
| 154 | K | 31.4 | Very low | 35.8 | Very low | 215 Ų | 215 | 125.3 Ų | 125.3 | 94% | 0.935 | 73% | 0.729 | S | S | * | * | | | trans | -72.1 | 113.2 | -177 | -174 | -178.5 | -176.9 | -178.8 | 0 | 111.3 | | |
| 155 | V | 36.9 | Very low | 36.9 | Very low | 135 Ų | 135 | 122.8 Ų | 122.8 | 82% | 0.818 | 72% | 0.717 | S | S | * | * | P | Polyproline II helix | trans | -91.1 | 132.3 | 173.7 | 179 | 0 | 0 | 0 | 0 | 109.9 | A153 | A153-V155 PolarHBondContact O-N 2.93Š|
| 156 | S | 31.2 | Very low | 38.4 | Very low | 109 Ų | 109 | 123.5 Ų | 123.5 | 76% | 0.762 | 70% | 0.703 | S | S | * | * | P | Polyproline II helix | trans | -75.3 | 135.8 | 173 | -63.5 | 0 | 0 | 0 | 0 | 110.9 | | |
| 157 | G | 32.8 | Very low | 39.7 | Very low | 77 Ų | 77 | 123.6 Ų | 123.6 | 79% | 0.794 | 70% | 0.697 | S | S | * | * | P | Polyproline II helix | trans | -70 | 133.9 | -179.7 | 0 | 0 | 0 | 0 | 0 | 113 | | |
| 158 | T | 34.2 | Very low | 40.9 | Very low | 126 Ų | 126 | 121.4 Ų | 121.4 | 77% | 0.773 | 68% | 0.683 | S | S | * | * | P | Polyproline II helix | trans | -92.9 | 123.6 | 171.4 | 49.4 | 0 | 0 | 0 | 0 | 110.4 | V160 | T158-V160 PolarHBondContact O-N 2.9Š|
| 159 | T | 40.1 | Very low | 42.1 | Very low | 116 Ų | 116 | 121 Ų | 121 | 71% | 0.712 | 67% | 0.674 | S | S | * | * | | | trans | -73.5 | 113 | 172.5 | 49.7 | 0 | 0 | 0 | 0 | 110.4 | | |
| 160 | V | 40 | Very low | 42.9 | Very low | 106 Ų | 106 | 119.6 Ų | 119.6 | 64% | 0.642 | 66% | 0.661 | S | S | * | * | | | trans | -80.2 | 133.1 | 168.7 | 178.9 | 0 | 0 | 0 | 0 | 108.6 | T158 | T158-V160 PolarHBondContact O-N 2.9Š|
| 161 | L | 49.1 | Very low | 44.1 | Very low | 92 Ų | 92 | 120.4 Ų | 120.4 | 48% | 0.482 | 66% | 0.663 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -91.1 | 132.9 | 167.8 | -169.3 | 81.5 | 0 | 0 | 0 | 107.9 | T181 F183 | L161-T181 HydrophobicContact CD1-CG2 3.68Å; L161-T181 HydrophobicContact CD2-CG2 4.11Å; L161-T181 HydrophobicContact CG-CG2 3.93Å; L161-F183 HydrophobicContact CD1-CD1 3.81Å; L161-F183 HydrophobicContact CD1-CD2 4.43Å; L161-F183 HydrophobicContact CD1-CE1 3.35Å; L161-F183 HydrophobicContact CD1-CE2 4.03Å; L161-F183 HydrophobicContact CD1-CG 4.33Å; L161-F183 HydrophobicContact CD1-CZ 3.48Å; L161-F183 VanDerWaalsContact CD1-CZ 3.48Å |
| 162 | E | 48.2 | Very low | 45.5 | Very low | 106 Ų | 106 | 122 Ų | 122 | 50% | 0.495 | 66% | 0.662 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -126 | 132.3 | 169.9 | -152.4 | 171.2 | -165.8 | 0 | 0 | 109.4 | F164 Y182 | E162-F164 HydrophobicContact CB-CE2 4.22Å; E162-F164 VanDerWaalsContact CD-CZ 3.46Å; E162-F164 HydrophobicContact CG-CD2 4.45Å; E162-F164 HydrophobicContact CG-CE2 3.6Å; E162-F164 HydrophobicContact CG-CZ 3.75Å; E162-F164 WeakPolarHBondContact OE1-CZ 3.47Å; E162-Y182 PolarHBondContact O-N 2.8Å; E162-Y182 VanDerWaalsContact O-N 3.08Å |
| 163 | E | 44.2 | Very low | 46.1 | Very low | 100 Ų | 100 | 118.6 Ų | 118.6 | 47% | 0.467 | 65% | 0.648 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -131.1 | 126 | -171.4 | -176.1 | 175.6 | -172.8 | 0 | 0 | 108.8 | H165 T179 T181 | E163-H165 IonicContact OE1-CE1 2.66Å; E163-H165 PolarHBondContact OE1-CE1 2.81Å; E163-T179 HydrophobicContact CG-CG2 3.94Å; E163-T179 VanDerWaalsContact OE1-CG2 3.29Å; E163-T179 WeakPolarHBondContact OE1-CG2 3.44Å; E163-T181 HydrophobicContact CB-CG2 4.27Å; E163-T181 HydrophobicContact CG-CG2 4.43Å |
| 164 | F | 45.6 | Very low | 47 | Very low | 119 Ų | 119 | 117 Ų | 117 | 52% | 0.522 | 64% | 0.635 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -119.7 | 124.9 | -177.2 | -68.1 | -83.3 | 0 | 0 | 0 | 110.6 | E162 T179 A180 | E162-F164 HydrophobicContact CB-CE2 4.22Å; E162-F164 VanDerWaalsContact CD-CZ 3.46Å; E162-F164 HydrophobicContact CG-CD2 4.45Å; E162-F164 HydrophobicContact CG-CE2 3.6Å; E162-F164 HydrophobicContact CG-CZ 3.75Å; E162-F164 WeakPolarHBondContact OE1-CZ 3.47Å; F164-T179 WeakPolarHBondContact O-CA 3.42Å; F164-A180 PolarHBondContact N-O 2.68Å; F164-A180 PolarHBondContact O-N 3.08Å |
| 165 | H | 54.4 | Low | 47.9 | Very low | 115 Ų | 115 | 110.6 Ų | 110.6 | 53% | 0.532 | 62% | 0.618 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -99.8 | 127 | 170.4 | -48.5 | -51.9 | 0 | 0 | 0 | 109.8 | E163 T179 | E163-H165 IonicContact OE1-CE1 2.66Å; E163-H165 PolarHBondContact OE1-CE1 2.81Å; H165-T179 WeakPolarHBondContact ND1-CG2 3.5Å; H165-T179 PolarHBondContact ND1-OG1 2.86Å |
| 166 | I | 57.8 | Low | 48.4 | Very low | 86 Ų | 86 | 111.7 Ų | 111.7 | 44% | 0.441 | 61% | 0.614 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -122.3 | 108.6 | 175.5 | -59.8 | -179.6 | 0 | 0 | 0 | 108.7 | R168 E178 | I166-R168 HydrophobicContact CG2-CG 3.93Å; I166-E178 PolarHBondContact N-O 3.05Å; I166-E178 PolarHBondContact O-N 2.93Å |
| 167 | R | 59.9 | Low | 49.6 | Very low | 167 Ų | 167 | 111.2 Ų | 111.2 | 63% | 0.63 | 60% | 0.6 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -84.7 | 128.6 | 165.1 | -83.9 | -172.4 | -74.2 | -95.7 | -9.4 | 110.5 | E176 E177 | R167-E176 CarbonylContact C-O 3.58Å; R167-E176 VanDerWaalsContact CA-O 3.31Å; R167-E176 WeakPolarHBondContact CA-O 3.41Å; R167-E177 VanDerWaalsContact CD-OE2 3.28Å; R167-E177 WeakPolarHBondContact CD-OE2 3.44Å; R167-E177 HydrophobicContact CG-CB 3.69Å; R167-E177 VanDerWaalsContact CG-CD 3.47Å; R167-E177 HydrophobicContact CG-CG 3.64Å; R167-E177 WeakPolarHBondContact CG-OE2 3.33Å; R167-E177 IonicContact CZ-OE1 2.59Å; R167-E177 IonicContact CZ-OE2 3.68Å; R167-E177 IonicContact NE-OE2 3.56Å; R167-E177 IonicContact NH1-OE1 3.61Å; R167-E177 PolarHBondContact NH1-OE1 2.93Å; R167-E177 IonicContact NH1-OE2 2.8Å; R167-E177 PolarHBondContact NH1-OE2 3.03Å |
| 168 | R | 55.5 | Low | 50.7 | Low | 163 Ų | 163 | 114 Ų | 114 | 62% | 0.615 | 59% | 0.592 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -118.6 | 144.9 | 170.7 | -51.1 | -169.4 | 82.6 | 95.9 | 3.3 | 109.2 | I166 S175 E176 | I166-R168 HydrophobicContact CG2-CG 3.93Å; R168-S175 WeakPolarHBondContact O-CA 3.48Å; R168-E176 PolarHBondContact N-O 3.1Å; R168-E176 PolarHBondContact O-N 3.1Å |
| 169 | L | 55.9 | Low | 52.1 | Low | 127 Ų | 127 | 111.1 Ų | 111.1 | 67% | 0.665 | 57% | 0.574 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -106.8 | 124.7 | 176.8 | -162.5 | 77.8 | 0 | 0 | 0 | 108.8 | G173 A174 | L169-G173 WeakPolarHBondContact CD1-O 3.35Å; L169-A174 WeakPolarHBondContact CA-O 3.41Å |
| 170 | D | 52.7 | Low | 52.6 | Low | 83 Ų | 83 | 108.4 Ų | 108.4 | 44% | 0.444 | 56% | 0.564 | S | S | . | * | | | trans | -73.6 | 163 | 172.7 | 178 | 50.8 | 0 | 0 | 0 | 111.6 | H172 G173 A174 | D170-H172 PolarHBondContact O-N 3.13Å; D170-H172 VanDerWaalsContact O-N 3.12Å; D170-H172 WeakPolarHBondContact OD2-CB 3.19Å; D170-H172 IonicContact OD2-CE1 3.22Å; D170-H172 IonicContact OD2-CG 2.68Å; D170-H172 PolarHBondContact OD2-N 3.02Å; D170-H172 IonicContact OD2-ND1 3.93Å; D170-H172 PolarHBondContact OD2-ND1 3.37Å; D170-G173 PolarHBondContact O-N 3.17Å; D170-A174 PolarHBondContact N-O 3.18Å |
| 171 | V | 60.3 | Low | 53.2 | Low | 139 Ų | 139 | 106.6 Ų | 106.6 | 84% | 0.842 | 55% | 0.553 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -53.3 | -28 | 173.9 | -176.6 | 0 | 0 | 0 | 0 | 112.5 | G173 | V171-G173 VanDerWaalsContact C-N 3.34Š|
| 172 | H | 56.2 | Low | 52.7 | Low | 168 Ų | 168 | 109.4 Ų | 109.4 | 78% | 0.778 | 56% | 0.558 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -86.5 | 2 | 176 | -55.5 | 89.9 | 0 | 0 | 0 | 114.4 | D170 | D170-H172 PolarHBondContact O-N 3.13Å; D170-H172 VanDerWaalsContact O-N 3.12Å; D170-H172 WeakPolarHBondContact OD2-CB 3.19Å; D170-H172 IonicContact OD2-CE1 3.22Å; D170-H172 IonicContact OD2-CG 2.68Å; D170-H172 PolarHBondContact OD2-N 3.02Å; D170-H172 IonicContact OD2-ND1 3.93Å; D170-H172 PolarHBondContact OD2-ND1 3.37Å |
| 173 | G | 51.8 | Low | 52.6 | Low | 50 Ų | 50 | 111.2 Ų | 111.2 | 52% | 0.515 | 57% | 0.565 | S | S | . | * | S | Bend | trans | 81.8 | 10 | 177.1 | 0 | 0 | 0 | 0 | 0 | 115.4 | L169 D170 V171 | L169-G173 WeakPolarHBondContact CD1-O 3.35Å; D170-G173 PolarHBondContact O-N 3.17Å; V171-G173 VanDerWaalsContact C-N 3.34Å |
| 174 | A | 49.1 | Very low | 52.3 | Low | 58 Ų | 58 | 111.9 Ų | 111.9 | 48% | 0.479 | 57% | 0.568 | S | S | . | * | | | trans | -80.1 | 138.2 | 169.1 | 0 | 0 | 0 | 0 | 0 | 110.3 | L169 D170 | L169-A174 WeakPolarHBondContact CA-O 3.41Å; D170-A174 PolarHBondContact N-O 3.18Å |
| 175 | S | 50.5 | Low | 52 | Low | 80 Ų | 80 | 112.4 Ų | 112.4 | 56% | 0.559 | 58% | 0.581 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -104.3 | 120.1 | 176.6 | 59.9 | 0 | 0 | 0 | 0 | 111.3 | R168 | R168-S175 WeakPolarHBondContact O-CA 3.48Å |
| 176 | E | 47.6 | Very low | 51.1 | Low | 159 Ų | 159 | 112.6 Ų | 112.6 | 74% | 0.743 | 59% | 0.59 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -100.5 | 142 | 169.6 | -65.8 | -173.6 | 144.9 | 0 | 0 | 109.7 | R167 R168 | R167-E176 CarbonylContact C-O 3.58Å; R167-E176 VanDerWaalsContact CA-O 3.31Å; R167-E176 WeakPolarHBondContact CA-O 3.41Å; R168-E176 PolarHBondContact N-O 3.1Å; R168-E176 PolarHBondContact O-N 3.1Å |
| 177 | E | 55.2 | Low | 50 | Low | 98 Ų | 98 | 113.4 Ų | 113.4 | 46% | 0.458 | 61% | 0.61 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -120 | 110.2 | -177.1 | -172.3 | 151.1 | -165 | 0 | 0 | 109.9 | R167 | R167-E177 VanDerWaalsContact CD-OE2 3.28Å; R167-E177 WeakPolarHBondContact CD-OE2 3.44Å; R167-E177 HydrophobicContact CG-CB 3.69Å; R167-E177 VanDerWaalsContact CG-CD 3.47Å; R167-E177 HydrophobicContact CG-CG 3.64Å; R167-E177 WeakPolarHBondContact CG-OE2 3.33Å; R167-E177 IonicContact CZ-OE1 2.59Å; R167-E177 IonicContact CZ-OE2 3.68Å; R167-E177 IonicContact NE-OE2 3.56Å; R167-E177 IonicContact NH1-OE1 3.61Å; R167-E177 PolarHBondContact NH1-OE1 2.93Å; R167-E177 IonicContact NH1-OE2 2.8Å; R167-E177 PolarHBondContact NH1-OE2 3.03Å |
| 178 | E | 55.8 | Low | 48.8 | Very low | 135 Ų | 135 | 113.6 Ų | 113.6 | 63% | 0.631 | 62% | 0.617 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -101.7 | 127.9 | 178.7 | -169.6 | 179.9 | -175.6 | 0 | 0 | 109 | I166 | I166-E178 PolarHBondContact N-O 3.05Å; I166-E178 PolarHBondContact O-N 2.93Å |
| 179 | T | 64.1 | Low | 47.6 | Very low | 66 Ų | 66 | 113.7 Ų | 113.7 | 41% | 0.405 | 63% | 0.63 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -116 | 127.4 | 177.4 | -66 | 0 | 0 | 0 | 0 | 109.8 | E163 F164 H165 | E163-T179 HydrophobicContact CG-CG2 3.94Å; E163-T179 VanDerWaalsContact OE1-CG2 3.29Å; E163-T179 WeakPolarHBondContact OE1-CG2 3.44Å; F164-T179 WeakPolarHBondContact O-CA 3.42Å; H165-T179 WeakPolarHBondContact ND1-CG2 3.5Å; H165-T179 PolarHBondContact ND1-OG1 2.86Å |
| 180 | A | 50.7 | Low | 46.3 | Very low | 60 Ų | 60 | 112.2 Ų | 112.2 | 50% | 0.496 | 63% | 0.63 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -124.7 | 127.3 | 176.5 | 0 | 0 | 0 | 0 | 0 | 110.5 | F164 | F164-A180 PolarHBondContact N-O 2.68Å; F164-A180 PolarHBondContact O-N 3.08Å |
| 181 | T | 53 | Low | 45.6 | Very low | 67 Ų | 67 | 114.2 Ų | 114.2 | 41% | 0.411 | 65% | 0.648 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -113.4 | 131.2 | 179.2 | -37.9 | 0 | 0 | 0 | 0 | 109.2 | L161 E163 | L161-T181 HydrophobicContact CD1-CG2 3.68Å; L161-T181 HydrophobicContact CD2-CG2 4.11Å; L161-T181 HydrophobicContact CG-CG2 3.93Å; E163-T181 HydrophobicContact CB-CG2 4.27Å; E163-T181 HydrophobicContact CG-CG2 4.43Å |
| 182 | Y | 38.4 | Very low | 44.1 | Very low | 151 Ų | 151 | 115.8 Ų | 115.8 | 59% | 0.592 | 65% | 0.651 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -119.9 | 145.2 | -178.4 | -160.7 | -95.8 | 0 | 0 | 0 | 112.3 | E162 H184 | E162-Y182 PolarHBondContact O-N 2.8Å; E162-Y182 VanDerWaalsContact O-N 3.08Å; Y182-H184 AromaticContact CD1-CD2 3.89Å; Y182-H184 AromaticContact CD1-CE1 3.78Å; Y182-H184 AromaticContact CD1-NE2 3.56Å; Y182-H184 AromaticContact CE1-CE1 3.64Å; Y182-H184 AromaticContact CE1-ND1 3.85Å; Y182-H184 AromaticContact CE1-NE2 3.91Å |
| 183 | F | 46.9 | Very low | 42.9 | Very low | 145 Ų | 145 | 113.6 Ų | 113.6 | 64% | 0.636 | 65% | 0.652 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -120 | 122.8 | 179 | -71.1 | -91.5 | 0 | 0 | 0 | 110.3 | L161 | L161-F183 HydrophobicContact CD1-CD1 3.81Å; L161-F183 HydrophobicContact CD1-CD2 4.43Å; L161-F183 HydrophobicContact CD1-CE1 3.35Å; L161-F183 HydrophobicContact CD1-CE2 4.03Å; L161-F183 HydrophobicContact CD1-CG 4.33Å; L161-F183 HydrophobicContact CD1-CZ 3.48Å; L161-F183 VanDerWaalsContact CD1-CZ 3.48Å |
| 184 | H | 37.5 | Very low | 41.5 | Very low | 113 Ų | 113 | 115.4 Ų | 115.4 | 52% | 0.523 | 66% | 0.661 | S | S | . | * | | | trans | -92.7 | 118.4 | 173.6 | -69.9 | -83.7 | 0 | 0 | 0 | 111.5 | Y182 | Y182-H184 AromaticContact CD1-CD2 3.89Å; Y182-H184 AromaticContact CD1-CE1 3.78Å; Y182-H184 AromaticContact CD1-NE2 3.56Å; Y182-H184 AromaticContact CE1-CE1 3.64Å; Y182-H184 AromaticContact CE1-ND1 3.85Å; Y182-H184 AromaticContact CE1-NE2 3.91Å |
| 185 | T | 38.1 | Very low | 40.7 | Very low | 130 Ų | 130 | 124.5 Ų | 124.5 | 80% | 0.798 | 68% | 0.684 | S | S | * | * | | | trans | -112.2 | 114.8 | 171.6 | 56.4 | 0 | 0 | 0 | 0 | 110.7 | | |
| 186 | T | 35.8 | Very low | 39.5 | Very low | 120 Ų | 120 | 130.9 Ų | 130.9 | 74% | 0.736 | 70% | 0.701 | S | S | * | * | | | trans | -90.8 | 104.2 | 177.9 | 39.5 | 0 | 0 | 0 | 0 | 111.5 | | |
| 187 | A | 34.8 | Very low | 38.5 | Very low | 102 Ų | 102 | 126.9 Ų | 126.9 | 84% | 0.843 | 70% | 0.703 | S | S | * | * | | | trans | -87.6 | 109.2 | 173.2 | 0 | 0 | 0 | 0 | 0 | 110.5 | | |
| 188 | H | 34.1 | Very low | 37.2 | Very low | 172 Ų | 172 | 126.9 Ų | 126.9 | 80% | 0.796 | 72% | 0.72 | S | S | * | * | | | trans | -94.7 | 112.1 | 169.1 | -74.9 | -72.9 | 0 | 0 | 0 | 110.2 | | |
| 189 | D | 31.7 | Very low | 35.9 | Very low | 164 Ų | 164 | 125.6 Ų | 125.6 | 88% | 0.877 | 73% | 0.726 | S | S | * | * | | | trans | -78.8 | 139.9 | 174.9 | -157.6 | -9.5 | 0 | 0 | 0 | 110.8 | | |
| 190 | S | 28.2 | Very low | 34.2 | Very low | 96 Ų | 96 | 128.2 Ų | 128.2 | 67% | 0.671 | 74% | 0.741 | S | S | * | * | | | trans | -160.3 | 147.5 | 178.7 | 54.1 | 0 | 0 | 0 | 0 | 111.7 | | |
| 191 | P | 37.5 | Very low | 33.3 | Very low | 126 Ų | 126 | 133.1 Ų | 133.1 | 82% | 0.818 | 76% | 0.758 | S | S | * | * | P | Polyproline II helix | trans | -82.7 | 152.3 | -152.5 | 30.8 | -37.1 | 0 | 0 | 0 | 116.1 | | |
| 192 | L | 28.5 | Very low | 32.1 | Very low | 171 Ų | 171 | 135.4 Ų | 135.4 | 90% | 0.895 | 77% | 0.772 | S | S | * | * | P | Polyproline II helix | trans | -68.1 | 137 | 176.4 | -64.7 | 164.9 | 0 | 0 | 0 | 113.5 | | |
| 193 | P | 30.7 | Very low | 31.5 | Very low | 123 Ų | 123 | 137.5 Ų | 137.5 | 80% | 0.799 | 79% | 0.785 | S | S | * | * | P | Polyproline II helix | trans | -88.6 | 152.6 | 146.5 | 34.4 | -29.7 | 0 | 0 | 0 | 111 | | |
| 194 | A | 24.4 | Very low | 30.7 | Very low | 87 Ų | 87 | 135.7 Ų | 135.7 | 72% | 0.719 | 79% | 0.79 | S | S | * | * | P | Polyproline II helix | trans | -92.1 | 160 | -171.8 | 0 | 0 | 0 | 0 | 0 | 114.7 | | |
| 195 | W | 30.5 | Very low | 30.7 | Very low | 250 Ų | 250 | 136.7 Ų | 136.7 | 95% | 0.947 | 81% | 0.806 | S | S | * | * | | | trans | 25.9 | 136.1 | 159.2 | -58.5 | -34.1 | 0 | 0 | 0 | 119.3 | | |
| 196 | K | 26.9 | Very low | 30.2 | Very low | 213 Ų | 213 | 136 Ų | 136 | 93% | 0.926 | 81% | 0.807 | S | S | * | * | | | | 178.1 | 150.2 | 67.6 | -172.5 | 178.9 | -175 | -179.2 | 0 | 109.8 | | |
| 197 | G | 26.4 | Very low | 30 | Very low | 76 Ų | 76 | 134.9 Ų | 134.9 | 78% | 0.784 | 81% | 0.81 | S | S | * | * | | | trans | 148.8 | 154.1 | 171.1 | 0 | 0 | 0 | 0 | 0 | 113.5 | | |
| 198 | A | 28.1 | Very low | 29.6 | Very low | 98 Ų | 98 | 138.9 Ų | 138.9 | 81% | 0.81 | 81% | 0.811 | S | S | * | * | | | trans | -141.3 | -178 | -176.2 | 0 | 0 | 0 | 0 | 0 | 111.9 | | |
| 199 | S | 27.6 | Very low | 29.5 | Very low | 108 Ų | 108 | 138.4 Ų | 138.4 | 76% | 0.755 | 81% | 0.814 | S | S | * | * | | | trans | 84 | 103.5 | 168.6 | -65.8 | 0 | 0 | 0 | 0 | 119.7 | | |
| 200 | T | 29.6 | Very low | 29.9 | Very low | 120 Ų | 120 | 137 Ų | 137 | 74% | 0.736 | 81% | 0.813 | S | S | * | * | | | | 35.6 | 129.2 | 124.8 | 50.9 | 0 | 0 | 0 | 0 | 122.7 | | |
| 201 | L | 30.8 | Very low | 29.7 | Very low | 163 Ų | 163 | 135.1 Ų | 135.1 | 85% | 0.853 | 81% | 0.809 | S | S | * | * | | | trans | 83.7 | 158.1 | 131.6 | -85.1 | 168.6 | 0 | 0 | 0 | 121.6 | | |
| 202 | V | 27.1 | Very low | 29.3 | Very low | 115 Ų | 115 | 135 Ų | 135 | 70% | 0.697 | 81% | 0.811 | S | S | * | * | | | trans | 87.3 | 104.6 | 159 | 165.7 | 0 | 0 | 0 | 0 | 119.7 | | |
| 203 | F | 26.2 | Very low | 29.3 | Very low | 196 Ų | 196 | 131.4 Ų | 131.4 | 86% | 0.86 | 80% | 0.801 | S | S | * | * | | | trans | 67.7 | 136.2 | 140 | -80.5 | -110.4 | 0 | 0 | 0 | 123.5 | | |
| 204 | S | 31.6 | Very low | 29.3 | Very low | 106 Ų | 106 | 133.6 Ų | 133.6 | 74% | 0.741 | 81% | 0.805 | S | S | * | * | | | trans | -90.2 | 161.1 | 152.5 | -41.2 | 0 | 0 | 0 | 0 | 110.8 | | |
| 205 | P | 36.3 | Very low | 29.5 | Very low | 134 Ų | 134 | 135.1 Ų | 135.1 | 87% | 0.87 | 81% | 0.809 | S | S | * | * | | | trans | -122.1 | 173.6 | 143.7 | 36.4 | -27.9 | 0 | 0 | 0 | 112.9 | | |
| 206 | S | 28.1 | Very low | 29.5 | Very low | 115 Ų | 115 | 126.6 Ų | 126.6 | 80% | 0.804 | 80% | 0.799 | S | S | * | * | | | trans | -110.7 | 154 | -166.3 | -179.7 | 0 | 0 | 0 | 0 | 113.9 | | |
| 207 | A | 30.9 | Very low | 29.6 | Very low | 97 Ų | 97 | 121.1 Ų | 121.1 | 80% | 0.802 | 79% | 0.787 | S | S | * | * | | | trans | -144.3 | 94.5 | 156 | 0 | 0 | 0 | 0 | 0 | 107 | | |
| 208 | Q | 26.7 | Very low | 29.8 | Very low | 186 Ų | 186 | 125.2 Ų | 125.2 | 87% | 0.869 | 79% | 0.791 | S | S | * | * | | | | 79.3 | 117.7 | 76.1 | -166.5 | 170.1 | 66.5 | 0 | 0 | 113.2 | | |
| 209 | L | 32.4 | Very low | 30 | Very low | 163 Ų | 163 | 126.8 Ų | 126.8 | 85% | 0.853 | 79% | 0.79 | S | S | * | * | | | trans | -86.2 | 164.8 | -178.7 | -62 | 167.3 | 0 | 0 | 0 | 111.7 | | |
| 210 | P | 38.8 | Very low | 30.2 | Very low | 133 Ų | 133 | 125.2 Ų | 125.2 | 86% | 0.864 | 78% | 0.784 | S | S | * | * | | | | -141.8 | 163.8 | 96.4 | 37.8 | -24.8 | 0 | 0 | 0 | 114.1 | | |
| 211 | G | 26 | Very low | 30.3 | Very low | 57 Ų | 57 | 125.1 Ų | 125.1 | 59% | 0.588 | 78% | 0.779 | S | S | * | * | | | cis | 167 | 178.4 | -3.9 | 0 | 0 | 0 | 0 | 0 | 112.3 | | |
| 212 | S | 28.3 | Very low | 30.5 | Very low | 123 Ų | 123 | 124.9 Ų | 124.9 | 86% | 0.86 | 77% | 0.773 | S | S | * | * | | | trans | 60.9 | 142.6 | 170.9 | 45.1 | 0 | 0 | 0 | 0 | 119 | | |
| 213 | S | 28.7 | Very low | 30.8 | Very low | 97 Ų | 97 | 125 Ų | 125 | 68% | 0.678 | 77% | 0.774 | S | S | * | * | | | cis | -169.4 | 144.8 | -8.8 | 49.4 | 0 | 0 | 0 | 0 | 112.5 | | |
| 214 | L | 30.3 | Very low | 30.7 | Very low | 168 Ų | 168 | 127.4 Ų | 127.4 | 88% | 0.88 | 78% | 0.777 | S | S | * | * | | | trans | 61.2 | 155.2 | 156.7 | -93 | 67.6 | 0 | 0 | 0 | 117.6 | | |
| 215 | C | 27.9 | Very low | 30.4 | Very low | 120 Ų | 120 | 125.4 Ų | 125.4 | 81% | 0.811 | 77% | 0.774 | S | S | * | * | | | cis | -148.1 | 150.5 | -11.5 | -172.8 | 0 | 0 | 0 | 0 | 108.3 | | |
| 216 | G | 30.5 | Very low | 30.3 | Very low | 71 Ų | 71 | 127.6 Ų | 127.6 | 73% | 0.732 | 78% | 0.777 | S | S | * | * | | | trans | -170.6 | 87.6 | 177.4 | 0 | 0 | 0 | 0 | 0 | 111.7 | | |
| 217 | S | 30.4 | Very low | 30.3 | Very low | 98 Ų | 98 | 126.4 Ų | 126.4 | 69% | 0.685 | 77% | 0.774 | S | S | * | * | | | trans | -72.7 | 136 | -178.3 | -173.1 | 0 | 0 | 0 | 0 | 111.8 | | |
| 218 | N | 29.7 | Very low | 30.7 | Very low | 161 Ų | 161 | 128 Ų | 128 | 86% | 0.861 | 78% | 0.776 | S | S | * | * | | | trans | -131 | 129.8 | 153 | -83.6 | -68.4 | 0 | 0 | 0 | 107.7 | | |
| 219 | V | 32.3 | Very low | 30.8 | Very low | 132 Ų | 132 | 127.8 Ų | 127.8 | 80% | 0.8 | 78% | 0.775 | S | S | * | * | | | trans | -82.1 | 145.9 | 178.9 | 176.3 | 0 | 0 | 0 | 0 | 108.9 | | |
| 220 | A | 32.8 | Very low | 30.7 | Very low | 74 Ų | 74 | 123.1 Ų | 123.1 | 61% | 0.612 | 76% | 0.761 | S | S | * | * | | | trans | -65.9 | -179.7 | 173.7 | 0 | 0 | 0 | 0 | 0 | 110.3 | | |
| 221 | D | 30.7 | Very low | 30.3 | Very low | 118 Ų | 118 | 124.7 Ų | 124.7 | 63% | 0.631 | 76% | 0.757 | S | S | * | * | | | cis | -175.6 | 179.2 | 44.2 | -145 | -47.5 | 0 | 0 | 0 | 111.5 | | |
| 222 | H | 35.2 | Very low | 30.6 | Very low | 158 Ų | 158 | 130.3 Ų | 130.3 | 73% | 0.731 | 77% | 0.765 | S | S | * | * | | | trans | 74 | 97.3 | 162.7 | -52.7 | -15.1 | 0 | 0 | 0 | 115.4 | | |
| 223 | T | 33.1 | Very low | 30.7 | Very low | 118 Ų | 118 | 132.8 Ų | 132.8 | 72% | 0.724 | 76% | 0.76 | S | S | * | * | | | cis | 89.8 | 135.9 | 47.8 | -59.6 | 0 | 0 | 0 | 0 | 113.8 | | |
| 224 | R | 25.3 | Very low | 30.7 | Very low | 246 Ų | 246 | 134 Ų | 134 | 93% | 0.928 | 76% | 0.763 | S | S | * | * | | | trans | 69.8 | 140.8 | 178.1 | -80 | 172.4 | 173.5 | 163.9 | -2.2 | 116.6 | | |
| 225 | G | 25 | Very low | 30.4 | Very low | 65 Ų | 65 | 130.6 Ų | 130.6 | 67% | 0.67 | 75% | 0.753 | S | S | * | * | | | cis | 154.1 | 157.8 | -14.5 | 0 | 0 | 0 | 0 | 0 | 115.8 | | |
| 226 | L | 33.2 | Very low | 30.3 | Very low | 180 Ų | 180 | 130.6 Ų | 130.6 | 94% | 0.942 | 75% | 0.749 | S | S | * | * | | | trans | 71.4 | 145.5 | 169.8 | -54.1 | 176.2 | 0 | 0 | 0 | 117 | | |
| 227 | A | 27.9 | Very low | 30.2 | Very low | 89 Ų | 89 | 132.5 Ų | 132.5 | 74% | 0.736 | 75% | 0.752 | S | S | * | * | | | trans | -85.6 | -177.1 | 172.5 | 0 | 0 | 0 | 0 | 0 | 110.9 | | |
| 228 | P | 39.8 | Very low | 30.1 | Very low | 131 Ų | 131 | 133.4 Ų | 133.4 | 85% | 0.851 | 76% | 0.758 | S | S | * | * | | | | -137.9 | 179.8 | 97.5 | 40.1 | -29.7 | 0 | 0 | 0 | 115.2 | | |
| 229 | E | 29.2 | Very low | 29.9 | Very low | 181 Ų | 181 | 130.3 Ų | 130.3 | 85% | 0.846 | 76% | 0.755 | S | S | * | * | | | trans | -82.1 | 174.7 | -177.9 | -159 | -170.5 | 112.9 | 0 | 0 | 113.1 | | |
| 230 | A | 31 | Very low | 29.9 | Very low | 66 Ų | 66 | 132.5 Ų | 132.5 | 55% | 0.545 | 76% | 0.761 | S | S | . | * | | | trans | 91.5 | 123.2 | 142.9 | 0 | 0 | 0 | 0 | 0 | 121.5 | | |
| 231 | Q | 30.4 | Very low | 29.7 | Very low | 166 Ų | 166 | 136.2 Ų | 136.2 | 78% | 0.776 | 77% | 0.771 | S | S | * | * | | | trans | 81.9 | 102.5 | 134.2 | -71 | -178.8 | 49.3 | 0 | 0 | 123.1 | | |
| 232 | K | 32 | Very low | 30 | Very low | 174 Ų | 174 | 135.5 Ų | 135.5 | 76% | 0.757 | 77% | 0.772 | S | S | * | * | | | | 83.5 | 126.4 | 102.8 | -166.6 | 176.6 | -179 | 179.3 | 0 | 120.6 | | |
| 233 | K | 29.7 | Very low | 29.8 | Very low | 176 Ų | 176 | 139.2 Ų | 139.2 | 77% | 0.765 | 78% | 0.78 | S | S | * | * | | | trans | 83.1 | 108 | 153.2 | -96.6 | -162.5 | 167.9 | -166.9 | 0 | 121.3 | | |
| 234 | V | 27.9 | Very low | 29.8 | Very low | 122 Ų | 122 | 141.8 Ų | 141.8 | 74% | 0.739 | 78% | 0.784 | S | S | * | * | | | | 78 | 144.3 | 115.4 | 164.3 | 0 | 0 | 0 | 0 | 121.5 | | |
| 235 | S | 23.9 | Very low | 30 | Very low | 96 Ų | 96 | 137.6 Ų | 137.6 | 67% | 0.671 | 78% | 0.78 | S | S | * | * | | | trans | 85 | 91.3 | 159.2 | -84.8 | 0 | 0 | 0 | 0 | 121.8 | | |
| 236 | T | 26.8 | Very low | 30.6 | Very low | 120 Ų | 120 | 141 Ų | 141 | 74% | 0.736 | 79% | 0.787 | S | S | * | * | | | | 53.1 | 118.8 | 115.8 | 54.8 | 0 | 0 | 0 | 0 | 122.4 | | |
| 237 | S | 27.3 | Very low | 30.5 | Very low | 111 Ų | 111 | 143.3 Ų | 143.3 | 78% | 0.776 | 78% | 0.783 | S | S | * | * | | | trans | 70.4 | 104.9 | 132.8 | 65.5 | 0 | 0 | 0 | 0 | 122.2 | | |
| 238 | S | 28.3 | Very low | 30.7 | Very low | 118 Ų | 118 | 145.1 Ų | 145.1 | 83% | 0.825 | 79% | 0.786 | S | S | * | * | | | | -164.6 | 120.1 | 120.4 | 16.5 | 0 | 0 | 0 | 0 | 107.2 | | |
| 239 | A | 26.4 | Very low | 30.2 | Very low | 95 Ų | 95 | 143.9 Ų | 143.9 | 79% | 0.785 | 78% | 0.78 | S | S | * | * | | | | 73.5 | 101.6 | 73.6 | 0 | 0 | 0 | 0 | 0 | 113.6 | | |
| 240 | L | 33.3 | Very low | 30.6 | Very low | 179 Ų | 179 | 141 Ų | 141 | 94% | 0.937 | 78% | 0.777 | S | S | * | * | | | trans | -168.5 | 142.7 | 132.4 | -100 | 175.2 | 0 | 0 | 0 | 110.3 | | |
| 241 | N | 26.7 | Very low | 30.6 | Very low | 152 Ų | 152 | 143.3 Ų | 143.3 | 81% | 0.813 | 79% | 0.789 | S | S | * | * | | | trans | -107.9 | 176.6 | 177 | -96.7 | -40.6 | 0 | 0 | 0 | 109.3 | | |
| 242 | P | 38.8 | Very low | 30.9 | Very low | 102 Ų | 102 | 141.5 Ų | 141.5 | 66% | 0.662 | 79% | 0.791 | S | S | * | * | | | cis | -128.7 | 175.8 | -33.3 | 36.6 | -22.3 | 0 | 0 | 0 | 111.5 | | |
| 243 | R | 30 | Very low | 30.8 | Very low | 237 Ų | 237 | 138 Ų | 138 | 89% | 0.894 | 80% | 0.796 | S | S | * | * | | | trans | -147.3 | 137 | 140.3 | -125.9 | -171.6 | -171.7 | -70.6 | -7 | 112.6 | | |
| 244 | E | 32.5 | Very low | 31 | Very low | 171 Ų | 171 | 135.6 Ų | 135.6 | 80% | 0.799 | 80% | 0.8 | S | S | * | * | | | trans | -75.2 | 131.4 | 172.4 | -64.5 | 147 | -154.9 | 0 | 0 | 109.6 | | |
| 245 | D | 29.9 | Very low | 31.2 | Very low | 158 Ų | 158 | 133.2 Ų | 133.2 | 85% | 0.845 | 80% | 0.801 | S | S | * | * | | | trans | -152 | 139.9 | 157 | -140.9 | -33.7 | 0 | 0 | 0 | 110.4 | | |
| 246 | V | 36.9 | Very low | 31.6 | Very low | 136 Ų | 136 | 133.8 Ų | 133.8 | 82% | 0.824 | 81% | 0.811 | S | S | * | * | | | trans | -97.5 | 108.7 | -166.5 | 175.1 | 0 | 0 | 0 | 0 | 110.5 | | |
| 247 | R | 32.1 | Very low | 31.9 | Very low | 229 Ų | 229 | 133.4 Ų | 133.4 | 86% | 0.864 | 81% | 0.814 | S | S | * | * | | | trans | -137.1 | 114.1 | 166.5 | -71.2 | -162.9 | 179.3 | -151.2 | 0.4 | 114.2 | | |
| 248 | T | 32.2 | Very low | 32.3 | Very low | 128 Ų | 128 | 136.1 Ų | 136.1 | 79% | 0.785 | 82% | 0.818 | S | S | * | * | | | trans | 30.4 | 115 | 132.4 | -37.8 | 0 | 0 | 0 | 0 | 118.2 | | |
| 249 | S | 29.7 | Very low | 32.8 | Very low | 104 Ų | 104 | 142.3 Ų | 142.3 | 73% | 0.727 | 82% | 0.824 | S | S | * | * | P | Polyproline II helix | trans | -57.2 | 132.2 | 170.3 | 52.3 | 0 | 0 | 0 | 0 | 113.5 | | |
| 250 | P | 36.4 | Very low | 33.2 | Very low | 122 Ų | 122 | 142.8 Ų | 142.8 | 79% | 0.792 | 82% | 0.822 | S | S | * | * | P | Polyproline II helix | trans | -80.3 | 133.2 | 166 | 32.2 | -32.1 | 0 | 0 | 0 | 111.1 | | |
| 251 | S | 31.1 | Very low | 33.6 | Very low | 114 Ų | 114 | 140.5 Ų | 140.5 | 80% | 0.797 | 82% | 0.817 | S | S | * | * | P | Polyproline II helix | trans | -73.3 | 140.5 | 168.3 | -61.8 | 0 | 0 | 0 | 0 | 110.9 | | |
| 252 | P | 37.6 | Very low | 34.2 | Very low | 127 Ų | 127 | 139.2 Ų | 139.2 | 83% | 0.825 | 82% | 0.82 | S | S | * | * | P | Polyproline II helix | trans | -69.3 | 146.1 | 170.7 | 29.7 | -34.1 | 0 | 0 | 0 | 111.2 | | |
| 253 | A | 29.5 | Very low | 34.4 | Very low | 102 Ų | 102 | 138.7 Ų | 138.7 | 84% | 0.843 | 83% | 0.825 | S | S | * | * | P | Polyproline II helix | trans | -80 | 165.6 | -179.9 | 0 | 0 | 0 | 0 | 0 | 113.2 | | |
| 254 | S | 33.6 | Very low | 34.9 | Very low | 124 Ų | 124 | 133 Ų | 133 | 87% | 0.867 | 82% | 0.821 | S | S | * | * | P | Polyproline II helix | trans | -58.4 | 131.9 | -167.7 | -49.9 | 0 | 0 | 0 | 0 | 116.1 | | |
| 255 | G | 31.4 | Very low | 35.5 | Very low | 72 Ų | 72 | 134.3 Ų | 134.3 | 74% | 0.742 | 82% | 0.82 | S | S | * | * | P | Polyproline II helix | trans | -77.4 | 161.2 | 150.4 | 0 | 0 | 0 | 0 | 0 | 111.6 | | |
| 256 | A | 33.7 | Very low | 37 | Very low | 108 Ų | 108 | 133.1 Ų | 133.1 | 89% | 0.893 | 81% | 0.812 | S | S | * | * | P | Polyproline II helix | trans | -70.5 | 145.6 | -171.1 | 0 | 0 | 0 | 0 | 0 | 114.3 | | |
| 257 | S | 32.1 | Very low | 37.3 | Very low | 113 Ų | 113 | 131.4 Ų | 131.4 | 79% | 0.79 | 80% | 0.804 | S | S | * | * | P | Polyproline II helix | trans | -88.4 | 127.5 | 178.3 | 177.3 | 0 | 0 | 0 | 0 | 112.1 | | |
| 258 | L | 36.9 | Very low | 38.2 | Very low | 167 Ų | 167 | 125.4 Ų | 125.4 | 87% | 0.874 | 79% | 0.793 | S | S | * | * | P | Polyproline II helix | trans | -92.2 | 118.2 | 164.9 | -71.6 | 173 | 0 | 0 | 0 | 109.1 | S260 | L258-S260 PolarHBondContact O-N 2.89Š|
| 259 | R | 37.9 | Very low | 39.3 | Very low | 248 Ų | 248 | 129.6 Ų | 129.6 | 94% | 0.936 | 79% | 0.794 | S | S | * | * | P | Polyproline II helix | trans | -66.1 | 129.6 | 178.8 | -102.6 | -177.7 | 169.8 | -174.8 | -2.4 | 111.3 | | |
| 260 | S | 35.4 | Very low | 40.6 | Very low | 106 Ų | 106 | 131.5 Ų | 131.5 | 74% | 0.741 | 80% | 0.795 | S | S | * | * | | | trans | -119.1 | 152.3 | 159 | -62.1 | 0 | 0 | 0 | 0 | 109.1 | L258 | L258-S260 PolarHBondContact O-N 2.89Š|
| 261 | P | 41 | Very low | 41.7 | Very low | 130 Ų | 130 | 130.7 Ų | 130.7 | 84% | 0.844 | 79% | 0.787 | S | S | * | * | P | Polyproline II helix | trans | -69.6 | 146.3 | -173.4 | 28 | -35.1 | 0 | 0 | 0 | 112.6 | A263 | P261-A263 PolarHBondContact O-N 3.29Š|
| 262 | S | 39.8 | Very low | 43.2 | Very low | 126 Ų | 126 | 133 Ų | 133 | 88% | 0.881 | 79% | 0.788 | S | S | * | * | P | Polyproline II helix | trans | -66.1 | 117.6 | -175.6 | -55 | 0 | 0 | 0 | 0 | 113 | | |
| 263 | A | 42 | Very low | 44 | Very low | 91 Ų | 91 | 134.3 Ų | 134.3 | 75% | 0.752 | 78% | 0.782 | S | S | * | * | P | Polyproline II helix | trans | -73.4 | 148.2 | 152.6 | 0 | 0 | 0 | 0 | 0 | 109.5 | P261 Y265 | P261-A263 PolarHBondContact O-N 3.29Å; A263-Y265 PolarHBondContact O-N 3.18Å; A263-Y265 VanDerWaalsContact O-N 3.09Å |
| 264 | S | 40.8 | Very low | 44.6 | Very low | 118 Ų | 118 | 135.3 Ų | 135.3 | 83% | 0.825 | 78% | 0.783 | S | S | * | * | | | trans | -69.8 | 103.5 | 179.8 | 52.1 | 0 | 0 | 0 | 0 | 111.2 | I266 | S264-I266 PolarHBondContact O-N 3.18Š|
| 265 | Y | 46.4 | Very low | 45.7 | Very low | 197 Ų | 197 | 137.2 Ų | 137.2 | 77% | 0.773 | 78% | 0.782 | S | S | * | * | | | trans | -77.5 | 114 | -179.5 | -177.3 | -97.8 | 0 | 0 | 0 | 111.3 | A263 P267 | A263-Y265 PolarHBondContact O-N 3.18Å; A263-Y265 VanDerWaalsContact O-N 3.09Å; Y265-P267 HydrophobicContact CE1-CB 4.26Å |
| 266 | I | 59.8 | Low | 46.5 | Very low | 133 Ų | 133 | 139 Ų | 139 | 68% | 0.682 | 78% | 0.783 | S | S | * | * | | | trans | -84.7 | 122.1 | 170.2 | -60.4 | 175.3 | 0 | 0 | 0 | 107.9 | S264 V268 | S264-I266 PolarHBondContact O-N 3.18Å; I266-V268 PolarHBondContact O-N 3.19Å |
| 267 | P | 45.1 | Very low | 47.4 | Very low | 101 Ų | 101 | 139.8 Ų | 139.8 | 66% | 0.656 | 78% | 0.78 | S | S | * | * | | | trans | -75.5 | 91.7 | -177.1 | 29.7 | -34.6 | 0 | 0 | 0 | 111.9 | Y265 R269 | Y265-P267 HydrophobicContact CE1-CB 4.26Å; P267-R269 PolarHBondContact O-N 3.18Å |
| 268 | V | 49.3 | Very low | 48.2 | Very low | 103 Ų | 103 | 139.5 Ų | 139.5 | 62% | 0.624 | 78% | 0.778 | S | S | * | * | | | trans | -79.4 | 112.3 | 175.3 | -178 | 0 | 0 | 0 | 0 | 110.2 | I266 I270 | I266-V268 PolarHBondContact O-N 3.19Å; V268-I270 HydrophobicContact CG1-CG1 4.1Å; V268-I270 PolarHBondContact O-N 2.98Å |
| 269 | R | 55.7 | Low | 48.7 | Very low | 216 Ų | 216 | 137.1 Ų | 137.1 | 82% | 0.815 | 77% | 0.772 | S | S | * | * | | | trans | -81 | 101 | 171.2 | -69.9 | -175 | -64.9 | -105.9 | -8.9 | 110.3 | P267 | P267-R269 PolarHBondContact O-N 3.18Š|
| 270 | I | 57.2 | Low | 49.4 | Very low | 143 Ų | 143 | 134.4 Ų | 134.4 | 73% | 0.733 | 77% | 0.767 | S | S | * | * | | | trans | -82.7 | 117.3 | 173.2 | -56.3 | 177.5 | 0 | 0 | 0 | 108.7 | V268 M272 | V268-I270 HydrophobicContact CG1-CG1 4.1Å; V268-I270 PolarHBondContact O-N 2.98Å; I270-M272 HydrophobicContact CG2-CG 4.29Å |
| 271 | V | 59.9 | Low | 49.9 | Very low | 106 Ų | 106 | 135.3 Ų | 135.3 | 64% | 0.642 | 77% | 0.771 | S | S | * | * | | | trans | -105.6 | 120.8 | 173.6 | -179.1 | 0 | 0 | 0 | 0 | 108.6 | | |
| 272 | M | 61.6 | Low | 49.9 | Very low | 163 Ų | 163 | 137.2 Ų | 137.2 | 80% | 0.803 | 77% | 0.773 | S | S | * | * | | | trans | -102 | 133.3 | 177.4 | -62.6 | -175.9 | 77.2 | 0 | 0 | 110.5 | I270 | I270-M272 HydrophobicContact CG2-CG 4.29Š|
| 273 | H | 54.2 | Low | 49.9 | Very low | 154 Ų | 154 | 137.8 Ų | 137.8 | 71% | 0.713 | 77% | 0.771 | S | S | * | * | | | trans | -118.1 | 122.3 | 171.3 | -62.8 | -50.7 | 0 | 0 | 0 | 109.8 | L275 | H273-L275 PolarHBondContact O-N 2.66Š|
| 274 | S | 43.9 | Very low | 49.6 | Very low | 122 Ų | 122 | 138.9 Ų | 138.9 | 85% | 0.853 | 77% | 0.773 | S | S | * | * | | | trans | -74.8 | 103.2 | 175.4 | 52.6 | 0 | 0 | 0 | 0 | 110.3 | | |
| 275 | L | 56.2 | Low | 49.2 | Very low | 164 Ų | 164 | 138.7 Ų | 138.7 | 86% | 0.859 | 77% | 0.772 | S | S | * | * | P | Polyproline II helix | trans | -68.3 | 133.3 | 170.7 | -61.4 | -179 | 0 | 0 | 0 | 109.9 | H273 | H273-L275 PolarHBondContact O-N 2.66Š|
| 276 | S | 48.3 | Very low | 49 | Very low | 109 Ų | 109 | 135.2 Ų | 135.2 | 76% | 0.762 | 78% | 0.777 | S | S | * | * | P | Polyproline II helix | trans | -64 | 145.9 | 178.4 | 48.1 | 0 | 0 | 0 | 0 | 111.5 | S278 | S276-S278 PolarHBondContact O-N 3.04Š|
| 277 | P | 52.5 | Low | 48 | Very low | 125 Ų | 125 | 137.7 Ų | 137.7 | 81% | 0.812 | 79% | 0.785 | S | S | * | * | P | Polyproline II helix | trans | -63.5 | 131.8 | 179.6 | 26 | -34 | 0 | 0 | 0 | 110.9 | | |
| 278 | S | 47.6 | Very low | 47.8 | Very low | 108 Ų | 108 | 136 Ų | 136 | 76% | 0.755 | 79% | 0.785 | S | S | * | * | P | Polyproline II helix | trans | -57.1 | 140.6 | 174.8 | -166.7 | 0 | 0 | 0 | 0 | 110.8 | S276 | S276-S278 PolarHBondContact O-N 3.04Š|
| 279 | P | 48.6 | Very low | 46.9 | Very low | 117 Ų | 117 | 137.1 Ų | 137.1 | 76% | 0.76 | 80% | 0.798 | S | S | * | * | P | Polyproline II helix | trans | -59.2 | 141.1 | -178.8 | 23.5 | -34.2 | 0 | 0 | 0 | 112 | | |
| 280 | K | 52.9 | Low | 46 | Very low | 190 Ų | 190 | 135 Ų | 135 | 83% | 0.826 | 80% | 0.802 | S | S | * | * | P | Polyproline II helix | trans | -59 | 145.7 | 178.1 | -69.2 | 178.7 | 178.9 | 177.6 | 0 | 110.7 | L282 | K280-L282 PolarHBondContact O-N 3.44Š|
| 281 | P | 44.3 | Very low | 44.8 | Very low | 125 Ų | 125 | 134 Ų | 134 | 81% | 0.812 | 81% | 0.808 | S | S | * | * | P | Polyproline II helix | trans | -60.6 | 133.1 | 176.6 | 26.2 | -34.5 | 0 | 0 | 0 | 110.5 | | |
| 282 | L | 41.6 | Very low | 43.9 | Very low | 171 Ų | 171 | 134.8 Ų | 134.8 | 90% | 0.895 | 81% | 0.813 | S | S | * | * | P | Polyproline II helix | trans | -69.9 | 131.1 | 173 | -64.9 | 175.4 | 0 | 0 | 0 | 109.4 | K280 S284 | K280-L282 PolarHBondContact O-N 3.44Å; L282-S284 PolarHBondContact O-N 3.46Å |
| 283 | T | 40.5 | Very low | 42.5 | Very low | 137 Ų | 137 | 133.7 Ų | 133.7 | 84% | 0.84 | 82% | 0.815 | S | S | * | * | | | trans | -67.3 | 114.6 | 177.1 | 49.2 | 0 | 0 | 0 | 0 | 110.4 | S285 | T283-S285 PolarHBondContact O-N 3.19Å; T283-S285 VanDerWaalsContact O-N 3.15Å |
| 284 | S | 34.7 | Very low | 41.5 | Very low | 114 Ų | 114 | 131.2 Ų | 131.2 | 80% | 0.797 | 81% | 0.814 | S | S | * | * | | | trans | -67.4 | 108.5 | 173.2 | 53.7 | 0 | 0 | 0 | 0 | 110.4 | L282 S286 | L282-S284 PolarHBondContact O-N 3.46Å; S284-S286 PolarHBondContact O-N 3.44Å |
| 285 | S | 33.8 | Very low | 40.8 | Very low | 114 Ų | 114 | 131.4 Ų | 131.4 | 80% | 0.797 | 82% | 0.815 | S | S | * | * | | | trans | -69.4 | 123.8 | 175.4 | 54.4 | 0 | 0 | 0 | 0 | 111.1 | T283 H287 | T283-S285 PolarHBondContact O-N 3.19Å; T283-S285 VanDerWaalsContact O-N 3.15Å; S285-H287 PolarHBondContact O-N 3.34Å; S285-H287 VanDerWaalsContact O-N 3.12Å |
| 286 | S | 41.4 | Very low | 39.8 | Very low | 125 Ų | 125 | 131.7 Ų | 131.7 | 87% | 0.874 | 81% | 0.812 | S | S | * | * | | | trans | -65.6 | 107.2 | 176.2 | -54.4 | 0 | 0 | 0 | 0 | 111.8 | S284 | S284-S286 PolarHBondContact O-N 3.44Š|
| 287 | H | 38.9 | Very low | 39.3 | Very low | 185 Ų | 185 | 132 Ų | 132 | 86% | 0.856 | 81% | 0.81 | S | S | * | * | | | trans | -143.2 | 115.9 | 158.2 | -139.5 | -76.5 | 0 | 0 | 0 | 109.8 | S285 | S285-H287 PolarHBondContact O-N 3.34Å; S285-H287 VanDerWaalsContact O-N 3.12Å |
| 288 | G | 40.2 | Very low | 38.3 | Very low | 64 Ų | 64 | 131.5 Ų | 131.5 | 66% | 0.66 | 81% | 0.809 | S | S | * | * | | | trans | -83.5 | 153.9 | -172.2 | 0 | 0 | 0 | 0 | 0 | 113.8 | | |
| 289 | S | 32 | Very low | 37.8 | Very low | 128 Ų | 128 | 131.9 Ų | 131.9 | 90% | 0.895 | 81% | 0.811 | S | S | * | * | | | trans | -159.2 | 106.5 | 154.3 | -78 | 0 | 0 | 0 | 0 | 108.4 | | |
| 290 | L | 35.2 | Very low | 37.2 | Very low | 172 Ų | 172 | 132.1 Ų | 132.1 | 90% | 0.901 | 82% | 0.816 | S | S | * | * | | | trans | -80.5 | 148.8 | 170.9 | -68.4 | 168.2 | 0 | 0 | 0 | 109.5 | | |
| 291 | S | 33.2 | Very low | 36.3 | Very low | 121 Ų | 121 | 125.8 Ų | 125.8 | 85% | 0.846 | 80% | 0.804 | S | S | * | * | | | trans | -134.3 | 109.8 | 160.3 | -170.8 | 0 | 0 | 0 | 0 | 108.6 | | |
| 292 | T | 39.5 | Very low | 35.7 | Very low | 123 Ų | 123 | 127.7 Ų | 127.7 | 76% | 0.755 | 81% | 0.808 | S | S | * | * | | | trans | -93.6 | 127.3 | -177.4 | 43.6 | 0 | 0 | 0 | 0 | 110.5 | | |
| 293 | V | 32.8 | Very low | 36.1 | Very low | 140 Ų | 140 | 127.4 Ų | 127.4 | 85% | 0.848 | 81% | 0.806 | S | S | * | * | | | trans | -133.3 | 111.1 | 152.1 | -177.9 | 0 | 0 | 0 | 0 | 107.2 | | |
| 294 | C | 33.5 | Very low | 35.8 | Very low | 102 Ų | 102 | 126.8 Ų | 126.8 | 69% | 0.689 | 81% | 0.807 | S | S | * | * | | | trans | -90.9 | 148 | 175.6 | -173.1 | 0 | 0 | 0 | 0 | 110.1 | | |
| 295 | S | 29.9 | Very low | 36.4 | Very low | 125 Ų | 125 | 131.8 Ų | 131.8 | 87% | 0.874 | 82% | 0.815 | S | S | * | * | | | trans | -145 | 133.3 | 154.9 | -86.9 | 0 | 0 | 0 | 0 | 108.4 | | |
| 296 | Q | 33.8 | Very low | 36.5 | Very low | 170 Ų | 170 | 131.7 Ų | 131.7 | 79% | 0.794 | 81% | 0.814 | S | S | * | * | | | trans | -106.6 | 154.3 | -158.4 | -147.5 | 173 | 7.7 | 0 | 0 | 112.4 | | |
| 297 | T | 37.8 | Very low | 36.9 | Very low | 117 Ų | 117 | 129.7 Ų | 129.7 | 72% | 0.718 | 81% | 0.813 | S | S | * | * | | | trans | -8.8 | 131.9 | 164.9 | 53.6 | 0 | 0 | 0 | 0 | 118.9 | | |
| 298 | S | 32.8 | Very low | 37 | Very low | 113 Ų | 113 | 128.7 Ų | 128.7 | 79% | 0.79 | 81% | 0.813 | S | S | * | * | | | | 177.5 | 138.9 | 107.6 | -83.8 | 0 | 0 | 0 | 0 | 116 | | |
| 299 | S | 36.4 | Very low | 37.2 | Very low | 116 Ų | 116 | 135.8 Ų | 135.8 | 81% | 0.811 | 83% | 0.826 | S | S | * | * | | | | 43.2 | 151.3 | 128.8 | -153.4 | 0 | 0 | 0 | 0 | 123.7 | | |
| 300 | S | 35.5 | Very low | 37.8 | Very low | 123 Ų | 123 | 134.6 Ų | 134.6 | 86% | 0.86 | 82% | 0.817 | S | S | * | * | | | trans | 71.9 | 149.6 | 166.4 | -154.7 | 0 | 0 | 0 | 0 | 116.2 | | |
| 301 | G | 34.6 | Very low | 38.6 | Very low | 56 Ų | 56 | 132.1 Ų | 132.1 | 58% | 0.577 | 81% | 0.812 | S | S | * | * | | | trans | -124.6 | 156.2 | -174 | 0 | 0 | 0 | 0 | 0 | 112.7 | | |
| 302 | N | 32.1 | Very low | 39.7 | Very low | 166 Ų | 166 | 132.7 Ų | 132.7 | 89% | 0.888 | 81% | 0.81 | S | S | * | * | | | trans | -156.9 | 163.6 | 142 | -117.5 | -72.2 | 0 | 0 | 0 | 111.1 | | |
| 303 | L | 49.4 | Very low | 40.8 | Very low | 165 Ų | 165 | 130.7 Ų | 130.7 | 86% | 0.864 | 80% | 0.799 | S | S | * | * | | | trans | -74.3 | 126.6 | -179.4 | -67.1 | 170 | 0 | 0 | 0 | 110.7 | | |
| 304 | S | 34.4 | Very low | 42.7 | Very low | 123 Ų | 123 | 127.8 Ų | 127.8 | 86% | 0.86 | 79% | 0.785 | S | S | * | * | | | trans | -150.6 | 135.4 | 161.6 | -85.5 | 0 | 0 | 0 | 0 | 111.6 | S306 | S304-S306 PolarHBondContact O-N 3.32Š|
| 305 | K | 47.7 | Very low | 44.3 | Very low | 220 Ų | 220 | 133.3 Ų | 133.3 | 96% | 0.957 | 79% | 0.791 | S | S | * | * | | | trans | -77.9 | 120 | -175.8 | -63.7 | 167.5 | -179.2 | 170.7 | 0 | 110 | | |
| 306 | S | 34.9 | Very low | 46.2 | Very low | 112 Ų | 112 | 133.2 Ų | 133.2 | 78% | 0.783 | 78% | 0.781 | S | S | * | * | | | trans | -129.9 | 129.6 | 156.6 | 62.5 | 0 | 0 | 0 | 0 | 109.6 | S304 L308 | S304-S306 PolarHBondContact O-N 3.32Å; S306-L308 PolarHBondContact O-N 3.02Å |
| 307 | G | 49.6 | Very low | 48 | Very low | 82 Ų | 82 | 128.3 Ų | 128.3 | 85% | 0.845 | 77% | 0.765 | S | S | * | * | | | trans | -96.6 | 76.3 | -168.1 | 0 | 0 | 0 | 0 | 0 | 113.1 | | |
| 308 | L | 41.3 | Very low | 49.8 | Very low | 164 Ų | 164 | 127.2 Ų | 127.2 | 86% | 0.859 | 75% | 0.754 | S | S | * | * | | | trans | -123.3 | 138.2 | 167.1 | -68.5 | 176 | 0 | 0 | 0 | 109.9 | S306 S310 | S306-L308 PolarHBondContact O-N 3.02Å; L308-S310 PolarHBondContact O-N 3.02Å |
| 309 | K | 45.3 | Very low | 51.5 | Low | 213 Ų | 213 | 126.5 Ų | 126.5 | 93% | 0.926 | 74% | 0.741 | S | S | * | * | P | Polyproline II helix | trans | -68.5 | 120.6 | -177 | -68.9 | 172.7 | -180 | 170.9 | 0 | 109.5 | | |
| 310 | S | 44.6 | Very low | 53.4 | Low | 103 Ų | 103 | 124 Ų | 124 | 72% | 0.72 | 72% | 0.721 | S | S | * | * | P | Polyproline II helix | trans | -62.6 | 145.3 | 165.2 | 47.5 | 0 | 0 | 0 | 0 | 110.2 | L308 | L308-S310 PolarHBondContact O-N 3.02Š|
| 311 | P | 51.6 | Low | 54.9 | Low | 120 Ų | 120 | 120.9 Ų | 120.9 | 78% | 0.779 | 70% | 0.702 | S | S | * | * | P | Polyproline II helix | trans | -63.4 | 140 | 171.9 | 27.4 | -33.7 | 0 | 0 | 0 | 109.6 | | |
| 312 | V | 55.8 | Low | 56.8 | Low | 134 Ų | 134 | 123 Ų | 123 | 81% | 0.812 | 70% | 0.7 | S | S | * | * | P | Polyproline II helix | trans | -60.7 | 128.6 | 178.6 | -179.4 | 0 | 0 | 0 | 0 | 108.8 | S314 | V312-S314 PolarHBondContact O-N 3.06Š|
| 313 | P | 63.6 | Low | 58.6 | Low | 80 Ų | 80 | 122 Ų | 122 | 52% | 0.519 | 69% | 0.693 | S | S | . | * | P | Polyproline II helix | trans | -61.2 | 133.7 | 178.9 | 24.8 | -33.7 | 0 | 0 | 0 | 110.2 | | |
| 314 | S | 71.9 | Confident | 59.5 | Low | 80 Ų | 80 | 122 Ų | 122 | 56% | 0.559 | 69% | 0.686 | S | S | * | * | P | Polyproline II helix | trans | -51.9 | 147.2 | 172.7 | 173.2 | 0 | 0 | 0 | 0 | 110.7 | V312 L316 S317 L318 | V312-S314 PolarHBondContact O-N 3.06Å; S314-L316 PolarHBondContact O-N 2.89Å; S314-L316 PolarHBondContact OG-N 3.29Å; S314-S317 WeakPolarHBondContact O-CA 3.46Å; S314-S317 WeakPolarHBondContact O-CB 3.46Å; S314-S317 PolarHBondContact O-N 3.21Å; S314-L318 PolarHBondContact O-N 3.4Å |
| 315 | R | 66.6 | Low | 60.4 | Low | 217 Ų | 217 | 119.9 Ų | 119.9 | 82% | 0.819 | 67% | 0.672 | S | S | * | * | H | α-helix | trans | -47.9 | -37.3 | 174.8 | -100.6 | -172.4 | 168.1 | -145.5 | -1.9 | 112.4 | L318 L319 | R315-L318 PolarHBondContact O-N 3.14Å; R315-L319 WeakPolarHBondContact O-CB 3.45Å; R315-L319 VanDerWaalsContact O-CG 3.3Å; R315-L319 WeakPolarHBondContact O-CG 3.4Å; R315-L319 PolarHBondContact O-N 2.95Å |
| 316 | L | 69.9 | Low | 60.3 | Low | 124 Ų | 124 | 116.3 Ų | 116.3 | 65% | 0.649 | 66% | 0.663 | S | S | * | * | H | α-helix | trans | -63.7 | -47.5 | 176.5 | -174.3 | 61.8 | 0 | 0 | 0 | 111.6 | S314 L318 L319 T320 | S314-L316 PolarHBondContact O-N 2.89Å; S314-L316 PolarHBondContact OG-N 3.29Å; L316-L318 PolarHBondContact O-N 3.29Å; L316-L319 PolarHBondContact O-N 3.17Å; L316-T320 WeakPolarHBondContact O-CB 3.29Å; L316-T320 PolarHBondContact O-N 2.94Å; L316-T320 PolarHBondContact O-OG1 3.36Å |
| 317 | S | 72.3 | Confident | 60.9 | Low | 67 Ų | 67 | 116.8 Ų | 116.8 | 47% | 0.469 | 66% | 0.663 | S | S | . | * | H | α-helix | trans | -61.1 | -41.3 | 177.4 | 178.8 | 0 | 0 | 0 | 0 | 112.3 | S314 T320 A321 | S314-S317 WeakPolarHBondContact O-CA 3.46Å; S314-S317 WeakPolarHBondContact O-CB 3.46Å; S314-S317 PolarHBondContact O-N 3.21Å; S317-T320 PolarHBondContact O-N 2.87Å; S317-A321 WeakPolarHBondContact O-CB 3.35Å; S317-A321 PolarHBondContact O-N 3.12Å |
| 318 | L | 75.1 | Confident | 60.3 | Low | 94 Ų | 94 | 118.3 Ų | 118.3 | 49% | 0.492 | 66% | 0.661 | S | S | . | * | H | α-helix | trans | -63.6 | -44.9 | 175.3 | -179.6 | 60.9 | 0 | 0 | 0 | 112.1 | S314 R315 L316 A321 I322 | S314-L318 PolarHBondContact O-N 3.4Å; R315-L318 PolarHBondContact O-N 3.14Å; L316-L318 PolarHBondContact O-N 3.29Å; L318-A321 PolarHBondContact O-N 3.01Å; L318-I322 HydrophobicContact CD1-CD1 4.08Å; L318-I322 HydrophobicContact CG-CD1 4.01Å; L318-I322 WeakPolarHBondContact O-CD1 3.46Å; L318-I322 VanDerWaalsContact O-CG1 3.3Å; L318-I322 WeakPolarHBondContact O-CG1 3.49Å; L318-I322 PolarHBondContact O-N 3.06Å |
| 319 | L | 69.1 | Low | 60.9 | Low | 97 Ų | 97 | 119.2 Ų | 119.2 | 51% | 0.508 | 66% | 0.661 | S | S | . | * | H | α-helix | trans | -65.9 | -43.5 | 177.1 | -71.5 | 167.9 | 0 | 0 | 0 | 111.7 | R315 L316 A321 I322 L323 | R315-L319 WeakPolarHBondContact O-CB 3.45Å; R315-L319 VanDerWaalsContact O-CG 3.3Å; R315-L319 WeakPolarHBondContact O-CG 3.4Å; R315-L319 PolarHBondContact O-N 2.95Å; L316-L319 PolarHBondContact O-N 3.17Å; L319-A321 VanDerWaalsContact C-N 3.29Å; L319-A321 PolarHBondContact O-N 2.88Å; L319-I322 PolarHBondContact O-N 3.31Å; L319-L323 WeakPolarHBondContact O-CB 3.28Å; L319-L323 VanDerWaalsContact O-CG 3.28Å; L319-L323 WeakPolarHBondContact O-CG 3.3Å; L319-L323 PolarHBondContact O-N 3.12Å |
| 320 | T | 75.3 | Confident | 60.6 | Low | 64 Ų | 64 | 118.4 Ų | 118.4 | 39% | 0.393 | 66% | 0.66 | S | S | . | * | H | α-helix | trans | -62.4 | -34.7 | 174.6 | -60.4 | 0 | 0 | 0 | 0 | 112.2 | L316 S317 K324 | L316-T320 WeakPolarHBondContact O-CB 3.29Å; L316-T320 PolarHBondContact O-N 2.94Å; L316-T320 PolarHBondContact O-OG1 3.36Å; S317-T320 PolarHBondContact O-N 2.87Å; T320-K324 HydrophobicContact CG2-CD 3.84Å; T320-K324 HydrophobicContact CG2-CG 4.48Å; T320-K324 VanDerWaalsContact O-CB 3.3Å; T320-K324 WeakPolarHBondContact O-CB 3.46Å; T320-K324 VanDerWaalsContact O-CG 3.28Å; T320-K324 WeakPolarHBondContact O-CG 3.4Å; T320-K324 PolarHBondContact O-N 2.72Å |
| 321 | A | 68.4 | Low | 60.5 | Low | 57 Ų | 57 | 123 Ų | 123 | 47% | 0.471 | 66% | 0.662 | S | S | . | * | H | α-helix | trans | -66.9 | -47.4 | 173.8 | 0 | 0 | 0 | 0 | 0 | 111.8 | S317 L318 L319 L323 K324 S325 | S317-A321 WeakPolarHBondContact O-CB 3.35Å; S317-A321 PolarHBondContact O-N 3.12Å; L318-A321 PolarHBondContact O-N 3.01Å; L319-A321 VanDerWaalsContact C-N 3.29Å; L319-A321 PolarHBondContact O-N 2.88Å; A321-L323 VanDerWaalsContact C-N 3.32Å; A321-L323 PolarHBondContact O-N 3.47Å; A321-K324 PolarHBondContact O-N 2.83Å; A321-S325 PolarHBondContact O-N 3.25Å; A321-S325 PolarHBondContact O-OG 3.02Å |
| 322 | I | 74.6 | Confident | 60 | Low | 102 Ų | 102 | 123.4 Ų | 123.4 | 52% | 0.523 | 66% | 0.664 | S | S | . | * | H | α-helix | trans | -62 | -38.9 | 177.7 | -67.9 | 164 | 0 | 0 | 0 | 111.5 | L318 L319 S325 | L318-I322 HydrophobicContact CD1-CD1 4.08Å; L318-I322 HydrophobicContact CG-CD1 4.01Å; L318-I322 WeakPolarHBondContact O-CD1 3.46Å; L318-I322 VanDerWaalsContact O-CG1 3.3Å; L318-I322 WeakPolarHBondContact O-CG1 3.49Å; L318-I322 PolarHBondContact O-N 3.06Å; L319-I322 PolarHBondContact O-N 3.31Å; I322-S325 PolarHBondContact O-OG 3.35Å |
| 323 | L | 70.2 | Confident | 59 | Low | 144 Ų | 144 | 123.2 Ų | 123.2 | 75% | 0.754 | 66% | 0.658 | S | S | * | * | H | α-helix | trans | -77.1 | -19.1 | 178.5 | -67.8 | 170.2 | 0 | 0 | 0 | 113.6 | L319 A321 | L319-L323 WeakPolarHBondContact O-CB 3.28Å; L319-L323 VanDerWaalsContact O-CG 3.28Å; L319-L323 WeakPolarHBondContact O-CG 3.3Å; L319-L323 PolarHBondContact O-N 3.12Å; A321-L323 VanDerWaalsContact C-N 3.32Å; A321-L323 PolarHBondContact O-N 3.47Å |
| 324 | K | 67.6 | Low | 57.6 | Low | 164 Ų | 164 | 124 Ų | 124 | 71% | 0.713 | 67% | 0.665 | S | S | * | * | H | α-helix | trans | -95.6 | -13.2 | 174.5 | -73.3 | 177.1 | 63.8 | 172 | 0 | 113.8 | T320 A321 N326 | T320-K324 HydrophobicContact CG2-CD 3.84Å; T320-K324 HydrophobicContact CG2-CG 4.48Å; T320-K324 VanDerWaalsContact O-CB 3.3Å; T320-K324 WeakPolarHBondContact O-CB 3.46Å; T320-K324 VanDerWaalsContact O-CG 3.28Å; T320-K324 WeakPolarHBondContact O-CG 3.4Å; T320-K324 PolarHBondContact O-N 2.72Å; A321-K324 PolarHBondContact O-N 2.83Å; K324-N326 PolarHBondContact O-N 3.47Å; K324-N326 VanDerWaalsContact O-N 3.12Å |
| 325 | S | 53.1 | Low | 56.3 | Low | 79 Ų | 79 | 125.9 Ų | 125.9 | 55% | 0.552 | 68% | 0.676 | S | S | * | * | | | trans | -80.8 | 87.8 | 177.7 | 57.1 | 0 | 0 | 0 | 0 | 111.6 | A321 I322 | A321-S325 PolarHBondContact O-N 3.25Å; A321-S325 PolarHBondContact O-OG 3.02Å; I322-S325 PolarHBondContact O-OG 3.35Å |
| 326 | N | 45.6 | Very low | 54.6 | Low | 146 Ų | 146 | 120 Ų | 120 | 78% | 0.781 | 67% | 0.673 | S | S | * | * | | | trans | -59.5 | 128.2 | 168.1 | -78 | -34.1 | 0 | 0 | 0 | 110.3 | K324 S328 | K324-N326 PolarHBondContact O-N 3.47Å; K324-N326 VanDerWaalsContact O-N 3.12Å; N326-S328 VanDerWaalsContact C-N 3.32Å; N326-S328 PolarHBondContact O-N 3.35Å |
| 327 | P | 48.4 | Very low | 52.7 | Low | 121 Ų | 121 | 120 Ų | 120 | 79% | 0.786 | 68% | 0.684 | S | S | * | * | | | trans | -76.4 | 80.7 | -179.8 | 31.2 | -35 | 0 | 0 | 0 | 111.1 | | |
| 328 | S | 37.1 | Very low | 50.6 | Low | 115 Ų | 115 | 122.5 Ų | 122.5 | 80% | 0.804 | 70% | 0.7 | S | S | * | * | | | trans | -69.4 | 135.2 | 178.3 | -169.2 | 0 | 0 | 0 | 0 | 112.1 | N326 Q330 | N326-S328 VanDerWaalsContact C-N 3.32Å; N326-S328 PolarHBondContact O-N 3.35Å; S328-Q330 PolarHBondContact O-N 3.36Å; S328-Q330 VanDerWaalsContact O-N 3.16Å |
| 329 | H | 52 | Low | 48.9 | Very low | 183 Ų | 183 | 123.3 Ų | 123.3 | 85% | 0.847 | 71% | 0.711 | S | S | * | * | | | trans | -78.4 | 94.7 | -179.2 | -75.1 | -95.7 | 0 | 0 | 0 | 112.2 | | |
| 330 | Q | 39.1 | Very low | 47.3 | Very low | 196 Ų | 196 | 125.1 Ų | 125.1 | 92% | 0.916 | 73% | 0.726 | S | S | * | * | | | trans | -154.6 | 141.2 | 149.8 | -114.8 | 166.7 | 39.7 | 0 | 0 | 112.7 | S328 | S328-Q330 PolarHBondContact O-N 3.36Å; S328-Q330 VanDerWaalsContact O-N 3.16Å |
| 331 | R | 43 | Very low | 45.3 | Very low | 200 Ų | 200 | 131 Ų | 131 | 76% | 0.755 | 75% | 0.747 | S | S | * | * | | | trans | -137.7 | 134 | -177.1 | 165 | -168.7 | -84.7 | -176.5 | -3.9 | 108.9 | | |
| 332 | P | 41.7 | Very low | 43.6 | Very low | 128 Ų | 128 | 132.8 Ų | 132.8 | 83% | 0.831 | 76% | 0.756 | S | S | * | * | | | trans | -95.1 | 146.6 | 139.1 | -19.8 | 35.4 | 0 | 0 | 0 | 112.9 | | |
| 333 | L | 35.3 | Very low | 41.7 | Very low | 130 Ų | 130 | 136 Ų | 136 | 68% | 0.681 | 77% | 0.773 | S | S | * | * | | | trans | -81.5 | 166 | 173.6 | -68.3 | 160.3 | 0 | 0 | 0 | 108.8 | | |
| 334 | S | 33.7 | Very low | 40 | Very low | 96 Ų | 96 | 136 Ų | 136 | 67% | 0.671 | 77% | 0.773 | S | S | * | * | | | cis | -172.3 | -159.6 | 2.2 | -116.9 | 0 | 0 | 0 | 0 | 106.9 | | |
| 335 | P | 44.4 | Very low | 38.3 | Very low | 120 Ų | 120 | 133.6 Ų | 133.6 | 78% | 0.779 | 78% | 0.778 | S | S | * | * | | | | -128.6 | 159.3 | -52.8 | 36 | -21.7 | 0 | 0 | 0 | 112.8 | | |
| 336 | A | 29.8 | Very low | 37.4 | Very low | 92 Ų | 92 | 138.2 Ų | 138.2 | 76% | 0.76 | 80% | 0.795 | S | S | * | * | | | trans | -153.3 | 104.2 | 161.6 | 0 | 0 | 0 | 0 | 0 | 112.9 | | |
| 337 | S | 30.1 | Very low | 36.7 | Very low | 125 Ų | 125 | 135.2 Ų | 135.2 | 87% | 0.874 | 79% | 0.791 | S | S | * | * | | | trans | 25.1 | 100.7 | 155.6 | -53.2 | 0 | 0 | 0 | 0 | 120.5 | | |
| 338 | C | 29.8 | Very low | 35.9 | Very low | 120 Ų | 120 | 135.1 Ų | 135.1 | 81% | 0.811 | 79% | 0.793 | S | S | * | * | | | trans | -110.7 | 130.3 | 149.8 | -68.2 | 0 | 0 | 0 | 0 | 109.1 | | |
| 339 | P | 38.5 | Very low | 35.5 | Very low | 111 Ų | 111 | 134.7 Ų | 134.7 | 72% | 0.721 | 79% | 0.79 | S | S | * | * | | | trans | -79.1 | 119.8 | 172.3 | 30.6 | -31.7 | 0 | 0 | 0 | 110.7 | | |
| 340 | T | 36.2 | Very low | 34.6 | Very low | 135 Ų | 135 | 132 Ų | 132 | 83% | 0.828 | 79% | 0.787 | S | S | * | * | | | trans | -73.6 | 123.8 | 170 | -57.9 | 0 | 0 | 0 | 0 | 109.8 | | |
| 341 | F | 33 | Very low | 34.4 | Very low | 188 Ų | 188 | 130.7 Ų | 130.7 | 83% | 0.825 | 79% | 0.785 | S | S | * | * | | | trans | -114.9 | 127.6 | 161.3 | -88.8 | -81.1 | 0 | 0 | 0 | 110.5 | | |
| 342 | S | 33.1 | Very low | 33.9 | Very low | 94 Ų | 94 | 127.1 Ų | 127.1 | 66% | 0.657 | 79% | 0.786 | S | S | * | * | | | trans | -72.6 | 132.6 | 179.4 | -175.8 | 0 | 0 | 0 | 0 | 110.7 | | |
| 343 | L | 34.3 | Very low | 33.5 | Very low | 170 Ų | 170 | 129 Ų | 129 | 89% | 0.89 | 79% | 0.788 | S | S | * | * | | | trans | -97.8 | 84.7 | 166.6 | -77.1 | 175.3 | 0 | 0 | 0 | 109.6 | | |
| 344 | N | 34.5 | Very low | 33.4 | Very low | 142 Ų | 142 | 128.8 Ų | 128.8 | 76% | 0.759 | 79% | 0.787 | S | S | * | * | | | trans | -146 | 146.7 | 161.8 | -91.3 | -50.8 | 0 | 0 | 0 | 109.3 | | |
| 345 | S | 32.1 | Very low | 33.5 | Very low | 115 Ų | 115 | 133.1 Ų | 133.1 | 80% | 0.804 | 80% | 0.797 | S | S | * | * | | | trans | 60.8 | 87.4 | 177.1 | -60.9 | 0 | 0 | 0 | 0 | 117.3 | | |
| 346 | L | 34.1 | Very low | 33 | Very low | 175 Ų | 175 | 135.2 Ų | 135.2 | 92% | 0.916 | 79% | 0.794 | S | S | * | * | | | trans | -153.8 | 90.9 | 132.5 | -122.9 | 165.8 | 0 | 0 | 0 | 111.1 | | |
| 347 | A | 31.3 | Very low | 33.1 | Very low | 83 Ų | 83 | 137.8 Ų | 137.8 | 69% | 0.686 | 79% | 0.793 | S | S | * | * | | | trans | -93.9 | 143.8 | 166.2 | 0 | 0 | 0 | 0 | 0 | 109.8 | | |
| 348 | S | 30.9 | Very low | 33.2 | Very low | 119 Ų | 119 | 140 Ų | 140 | 83% | 0.832 | 79% | 0.787 | S | S | * | * | | | trans | 50.7 | 96.8 | 154.5 | -55.2 | 0 | 0 | 0 | 0 | 119.6 | | |
| 349 | S | 29.6 | Very low | 33.2 | Very low | 106 Ų | 106 | 141.7 Ų | 141.7 | 74% | 0.741 | 78% | 0.783 | S | S | * | * | | | | -159.2 | 101.6 | 129 | -166.9 | 0 | 0 | 0 | 0 | 109.1 | | |
| 350 | T | 33.2 | Very low | 32.8 | Very low | 127 Ų | 127 | 142.8 Ų | 142.8 | 78% | 0.779 | 79% | 0.788 | S | S | * | * | | | | 45.2 | 99.9 | 87.5 | 57.4 | 0 | 0 | 0 | 0 | 114.9 | | |
| 351 | L | 33.7 | Very low | 33.4 | Very low | 169 Ų | 169 | 142 Ų | 142 | 89% | 0.885 | 79% | 0.785 | S | S | * | * | | | trans | -106.9 | 120.2 | 156.9 | -172.8 | 153.9 | 0 | 0 | 0 | 107.5 | | |
| 352 | T | 33.2 | Very low | 33.1 | Very low | 125 Ų | 125 | 138.2 Ų | 138.2 | 77% | 0.767 | 78% | 0.782 | S | S | * | * | | | trans | -93.1 | 147.3 | 179.9 | 43.9 | 0 | 0 | 0 | 0 | 111.6 | | |
| 353 | L | 33.7 | Very low | 33.2 | Very low | 167 Ų | 167 | 140 Ų | 140 | 87% | 0.874 | 79% | 0.789 | S | S | * | * | | | trans | -126 | 110.2 | 158.9 | -172.5 | 151.4 | 0 | 0 | 0 | 106.5 | | |
| 354 | D | 32.5 | Very low | 33.8 | Very low | 125 Ų | 125 | 137.8 Ų | 137.8 | 67% | 0.668 | 79% | 0.785 | S | S | * | * | | | trans | -111 | 140.5 | 178 | 172.4 | 46.2 | 0 | 0 | 0 | 110.7 | K356 | D354-K356 PolarHBondContact OD1-N 3.13Š|
| 355 | Q | 36.1 | Very low | 33.7 | Very low | 187 Ų | 187 | 140.5 Ų | 140.5 | 87% | 0.874 | 79% | 0.79 | S | S | * | * | | | trans | -147.3 | 79.2 | 152.7 | -74.8 | -160.9 | 8.3 | 0 | 0 | 110.8 | | |
| 356 | K | 33 | Very low | 33.9 | Very low | 165 Ų | 165 | 144.6 Ų | 144.6 | 72% | 0.717 | 79% | 0.793 | S | S | * | * | | | trans | -151.5 | 98.6 | 146.6 | -132.3 | 179 | -177.8 | -179 | 0 | 116.9 | D354 | D354-K356 PolarHBondContact OD1-N 3.13Š|
| 357 | I | 32.7 | Very low | 33.8 | Very low | 146 Ų | 146 | 141.4 Ų | 141.4 | 75% | 0.749 | 79% | 0.785 | S | S | * | * | | | trans | 38 | 103.3 | 130.4 | -52.4 | 166.9 | 0 | 0 | 0 | 116.6 | | |
| 358 | K | 31.4 | Very low | 34 | Very low | 172 Ų | 172 | 145.6 Ų | 145.6 | 75% | 0.748 | 80% | 0.795 | S | S | * | * | | | | -176.2 | 145.6 | 106.1 | -123.5 | 178 | 178 | -143.7 | 0 | 115.9 | | |
| 359 | Q | 30.1 | Very low | 33.9 | Very low | 155 Ų | 155 | 145 Ų | 145 | 72% | 0.724 | 79% | 0.791 | S | S | * | * | | | trans | 45 | 111 | 145.5 | -76.7 | 170.8 | -58.9 | 0 | 0 | 122.1 | | |
| 360 | T | 29.2 | Very low | 34 | Very low | 133 Ų | 133 | 144.2 Ų | 144.2 | 82% | 0.816 | 79% | 0.786 | S | S | * | * | | | trans | -66.6 | -176.9 | 152.5 | 46.4 | 0 | 0 | 0 | 0 | 113.9 | | |
| 361 | P | 49 | Very low | 33.7 | Very low | 118 Ų | 118 | 143.5 Ų | 143.5 | 77% | 0.766 | 78% | 0.784 | S | S | * | * | | | cis | -138.5 | 179.5 | -41.5 | 37.4 | -20.7 | 0 | 0 | 0 | 114 | | |
| 362 | S | 28.5 | Very low | 33.5 | Very low | 109 Ų | 109 | 140 Ų | 140 | 76% | 0.762 | 78% | 0.775 | S | S | * | * | | | trans | -154.1 | 109.5 | 154.2 | 51.1 | 0 | 0 | 0 | 0 | 116.8 | | |
| 363 | T | 34.1 | Very low | 33.4 | Very low | 131 Ų | 131 | 141.9 Ų | 141.9 | 80% | 0.804 | 78% | 0.779 | S | S | * | * | | | trans | 36.9 | 127.4 | 142 | 57.5 | 0 | 0 | 0 | 0 | 123.5 | | |
| 364 | P | 46 | Very low | 33.2 | Very low | 124 Ų | 124 | 139.8 Ų | 139.8 | 81% | 0.805 | 77% | 0.773 | S | S | * | * | | | trans | -103.1 | 162.3 | 167.6 | 39.6 | -34 | 0 | 0 | 0 | 115 | | |
| 365 | K | 34.4 | Very low | 33 | Very low | 200 Ų | 200 | 140.2 Ų | 140.2 | 87% | 0.87 | 78% | 0.781 | S | S | * | * | | | trans | -160.1 | 115.1 | 155.5 | -97.8 | 151.7 | -176.3 | 178.8 | 0 | 107.3 | | |
| 366 | K | 36.2 | Very low | 32.6 | Very low | 201 Ų | 201 | 134.6 Ų | 134.6 | 87% | 0.874 | 77% | 0.773 | S | S | * | * | | | | 76.3 | 99.5 | 69 | -78.3 | -167.1 | 174.2 | -172.5 | 0 | 114.9 | | |
| 367 | S | 31.6 | Very low | 32.3 | Very low | 107 Ų | 107 | 132.4 Ų | 132.4 | 75% | 0.748 | 78% | 0.778 | S | S | * | * | | | trans | -147.6 | 123.1 | 136.5 | -78.9 | 0 | 0 | 0 | 0 | 106.4 | | |
| 368 | L | 34.5 | Very low | 32.4 | Very low | 171 Ų | 171 | 131.1 Ų | 131.1 | 90% | 0.895 | 78% | 0.777 | S | S | * | * | | | | 56.6 | 127.7 | 99.9 | -55.6 | 180 | 0 | 0 | 0 | 113.3 | | |
| 369 | S | 30.3 | Very low | 32.1 | Very low | 107 Ų | 107 | 131.4 Ų | 131.4 | 75% | 0.748 | 78% | 0.781 | S | S | * | * | | | cis | -149.7 | 162.8 | 14.8 | 178.2 | 0 | 0 | 0 | 0 | 113.4 | | |
| 370 | S | 31.3 | Very low | 32.3 | Very low | 89 Ų | 89 | 132.6 Ų | 132.6 | 62% | 0.622 | 79% | 0.787 | S | S | * | * | | | trans | -57.2 | 167.2 | 161.6 | 52.7 | 0 | 0 | 0 | 0 | 113 | | |
| 371 | C | 27.2 | Very low | 32.1 | Very low | 112 Ų | 112 | 133.6 Ų | 133.6 | 76% | 0.757 | 78% | 0.782 | S | S | * | * | | | cis | -131.1 | 142.9 | 24.5 | -74 | 0 | 0 | 0 | 0 | 111.3 | | |
| 372 | S | 29.3 | Very low | 30.9 | Very low | 97 Ų | 97 | 135.9 Ų | 135.9 | 68% | 0.678 | 78% | 0.783 | S | S | * | * | | | | 65.7 | 114.9 | 68.6 | -55.2 | 0 | 0 | 0 | 0 | 114.8 | | |
| 373 | L | 29.7 | Very low | 30.7 | Very low | 163 Ų | 163 | 135.1 Ų | 135.1 | 85% | 0.853 | 78% | 0.783 | S | S | * | * | | | trans | 46.6 | 132.7 | 145.5 | -43.1 | 175.4 | 0 | 0 | 0 | 117.8 | | |
| 374 | T | 30.8 | Very low | 30.4 | Very low | 124 Ų | 124 | 134.7 Ų | 134.7 | 76% | 0.761 | 79% | 0.785 | S | S | * | * | | | | -159 | 159.8 | 50.4 | 17 | 0 | 0 | 0 | 0 | 114.5 | | |
| 375 | T | 28.4 | Very low | 29.6 | Very low | 134 Ų | 134 | 133 Ų | 133 | 82% | 0.822 | 78% | 0.782 | S | S | * | * | | | trans | -22.7 | 141 | 151.2 | 53 | 0 | 0 | 0 | 0 | 119.2 | | |
| 376 | G | 27.9 | Very low | 29.4 | Very low | 69 Ų | 69 | 132.1 Ų | 132.1 | 71% | 0.711 | 78% | 0.781 | S | S | * | * | | | trans | 97.6 | 118.7 | 172.1 | 0 | 0 | 0 | 0 | 0 | 111.8 | | |
| 377 | S | 25.5 | Very low | 29 | Very low | 118 Ų | 118 | 126.6 Ų | 126.6 | 83% | 0.825 | 77% | 0.767 | S | S | * | * | | | | 61.4 | 118 | 65.5 | -157.1 | 0 | 0 | 0 | 0 | 110.8 | | |
| 378 | T | 35.1 | Very low | 28.8 | Very low | 119 Ų | 119 | 129.1 Ų | 129.1 | 73% | 0.73 | 77% | 0.767 | S | S | * | * | | | cis | -135.8 | -173.2 | 30.8 | 48 | 0 | 0 | 0 | 0 | 114.3 | | |
| 379 | E | 25.1 | Very low | 28.6 | Very low | 179 Ų | 179 | 129.8 Ų | 129.8 | 84% | 0.836 | 77% | 0.766 | S | S | * | * | | | trans | 74.7 | 136.7 | 178.5 | -54.6 | -167.9 | 137.9 | 0 | 0 | 115.4 | | |
| 380 | Q | 33.8 | Very low | 28.7 | Very low | 179 Ų | 179 | 130.2 Ų | 130.2 | 84% | 0.836 | 77% | 0.766 | S | S | * | * | | | cis | -151.7 | 166.4 | -20.4 | -171.7 | 171.9 | 8.2 | 0 | 0 | 108 | | |
| 381 | E | 25 | Very low | 28.7 | Very low | 155 Ų | 155 | 130.9 Ų | 130.9 | 72% | 0.724 | 77% | 0.769 | S | S | * | * | | | trans | 90.6 | 122.7 | 159.1 | -157.8 | 165.3 | 176.6 | 0 | 0 | 120.3 | | |
| 382 | Q | 24.9 | Very low | 28.7 | Very low | 165 Ų | 165 | 134 Ų | 134 | 77% | 0.771 | 77% | 0.772 | S | S | * | * | | | trans | 65.6 | 130 | 155.7 | -72.9 | 178.6 | 44.6 | 0 | 0 | 124.2 | | |
| 383 | A | 24 | Very low | 28.8 | Very low | 94 Ų | 94 | 136.1 Ų | 136.1 | 78% | 0.777 | 78% | 0.775 | S | S | * | * | | | trans | 60.4 | 92.1 | 151.8 | 0 | 0 | 0 | 0 | 0 | 118.9 | | |
| 384 | S | 26.7 | Very low | 28.7 | Very low | 121 Ų | 121 | 132.2 Ų | 132.2 | 85% | 0.846 | 76% | 0.762 | S | S | * | * | | | | 88.1 | 100.7 | 70.6 | 179.4 | 0 | 0 | 0 | 0 | 113.7 | | |
| 385 | A | 30.5 | Very low | 28.6 | Very low | 88 Ų | 88 | 134.4 Ų | 134.4 | 73% | 0.727 | 76% | 0.761 | S | S | * | * | | | trans | -120 | 173.9 | 164.2 | 0 | 0 | 0 | 0 | 0 | 109.9 | | |
| 386 | E | 29.2 | Very low | 28.7 | Very low | 183 Ų | 183 | 136.2 Ų | 136.2 | 86% | 0.855 | 76% | 0.758 | S | S | * | * | | | trans | 65.8 | 157.9 | -179.7 | -124.7 | 58.4 | -153.2 | 0 | 0 | 117.4 | | |
| 387 | S | 27.9 | Very low | 28.8 | Very low | 84 Ų | 84 | 137.9 Ų | 137.9 | 59% | 0.587 | 76% | 0.759 | S | S | * | * | | | trans | -124.3 | 157.5 | 177.9 | 57.7 | 0 | 0 | 0 | 0 | 112.2 | | |
| 388 | H | 28.7 | Very low | 28.9 | Very low | 160 Ų | 160 | 141.1 Ų | 141.1 | 74% | 0.741 | 76% | 0.758 | S | S | * | * | | | trans | 87.6 | 79 | 169.1 | -46.6 | -68.4 | 0 | 0 | 0 | 119.6 | | |
| 389 | Q | 30 | Very low | 28.6 | Very low | 186 Ų | 186 | 141.8 Ų | 141.8 | 87% | 0.869 | 76% | 0.762 | S | S | * | * | | | trans | 65.6 | 167.9 | 131.7 | -75 | -175.3 | -40.4 | 0 | 0 | 119.5 | | |
| 390 | P | 32.7 | Very low | 28.9 | Very low | 115 Ų | 115 | 139 Ų | 139 | 75% | 0.747 | 76% | 0.758 | S | S | * | * | | | cis | -121.6 | -167.1 | -4.6 | 39.6 | -23.3 | 0 | 0 | 0 | 114.5 | | |
| 391 | C | 30 | Very low | 29.4 | Very low | 103 Ų | 103 | 135.6 Ų | 135.6 | 70% | 0.696 | 75% | 0.751 | S | S | * | * | | | trans | -28.2 | 145.8 | 171 | -49.4 | 0 | 0 | 0 | 0 | 118.3 | | |
| 392 | H | 27.8 | Very low | 29.5 | Very low | 177 Ų | 177 | 135.8 Ų | 135.8 | 82% | 0.819 | 76% | 0.756 | S | S | * | * | | | | -172.1 | 162.2 | 97.8 | -104.8 | -81.6 | 0 | 0 | 0 | 115.5 | | |
| 393 | L | 30.5 | Very low | 29.7 | Very low | 143 Ų | 143 | 131.6 Ų | 131.6 | 75% | 0.749 | 75% | 0.745 | S | S | * | * | | | trans | -53.6 | 129.5 | -171.5 | -70.7 | 156.5 | 0 | 0 | 0 | 119.3 | | |
| 394 | S | 27.6 | Very low | 29.9 | Very low | 81 Ų | 81 | 135.6 Ų | 135.6 | 57% | 0.566 | 75% | 0.748 | S | S | * | * | | | | 80.9 | 143.5 | 119.7 | -56.5 | 0 | 0 | 0 | 0 | 124.8 | | |
| 395 | F | 30.1 | Very low | 30 | Very low | 169 Ų | 169 | 134.2 Ų | 134.2 | 74% | 0.741 | 74% | 0.743 | S | S | * | * | | | trans | 111.5 | 120.5 | 134.8 | -72.9 | -51.2 | 0 | 0 | 0 | 121.9 | | |
| 396 | F | 30.2 | Very low | 29.8 | Very low | 172 Ų | 172 | 138.7 Ų | 138.7 | 75% | 0.754 | 75% | 0.749 | S | S | * | * | | | trans | 57.6 | 141.9 | 149.6 | -58.1 | -54.3 | 0 | 0 | 0 | 119.1 | | |
| 397 | S | 29 | Very low | 30.9 | Very low | 105 Ų | 105 | 135 Ų | 135 | 73% | 0.734 | 74% | 0.741 | S | S | * | * | | | cis | -147.7 | 138.4 | 44.2 | -72.1 | 0 | 0 | 0 | 0 | 112.2 | | |
| 398 | K | 27.4 | Very low | 31.6 | Very low | 185 Ų | 185 | 135.7 Ų | 135.7 | 80% | 0.804 | 74% | 0.744 | S | S | * | * | | | | 75.8 | 126.5 | 83.4 | -146.3 | 173.1 | -179.7 | 179.2 | 0 | 110.7 | | |
| 399 | T | 30.3 | Very low | 31.7 | Very low | 133 Ų | 133 | 133.1 Ų | 133.1 | 82% | 0.816 | 74% | 0.744 | S | S | * | * | | | | -138.1 | 147.5 | 51.3 | 44.4 | 0 | 0 | 0 | 0 | 117 | | |
| 400 | T | 29.8 | Very low | 32.9 | Very low | 122 Ų | 122 | 130 Ų | 130 | 75% | 0.748 | 74% | 0.739 | S | S | * | * | | | trans | -80.6 | 172.9 | 163.1 | -20 | 0 | 0 | 0 | 0 | 110.7 | | |
| 401 | P | 44.5 | Very low | 33.6 | Very low | 107 Ų | 107 | 130.1 Ų | 130.1 | 70% | 0.695 | 74% | 0.74 | S | S | * | * | | | | -152.7 | 153.6 | 83 | 39.7 | -20.9 | 0 | 0 | 0 | 118.2 | | |
| 402 | L | 27.3 | Very low | 33.6 | Very low | 158 Ų | 158 | 129.6 Ų | 129.6 | 83% | 0.827 | 74% | 0.743 | S | S | * | * | | | trans | 62.2 | 157.1 | 147.7 | -93.9 | 57.1 | 0 | 0 | 0 | 119.7 | | |
| 403 | S | 29.1 | Very low | 33.7 | Very low | 77 Ų | 77 | 129.3 Ų | 129.3 | 54% | 0.538 | 75% | 0.747 | S | S | . | * | | | cis | -150.5 | 174.6 | -4.5 | -147.2 | 0 | 0 | 0 | 0 | 113.7 | | |
| 404 | Q | 29.7 | Very low | 33.6 | Very low | 179 Ų | 179 | 126.8 Ų | 126.8 | 84% | 0.836 | 75% | 0.746 | S | S | * | * | | | trans | 8.9 | 150.1 | 142.2 | -68.5 | 155.5 | -36.2 | 0 | 0 | 120.7 | | |
| 405 | A | 28.2 | Very low | 33.6 | Very low | 92 Ų | 92 | 127.6 Ų | 127.6 | 76% | 0.76 | 75% | 0.752 | S | S | * | * | | | cis | -169.5 | 171.7 | -8.8 | 0 | 0 | 0 | 0 | 0 | 112.7 | | |
| 406 | Q | 26.1 | Very low | 33.6 | Very low | 182 Ų | 182 | 124.3 Ų | 124.3 | 85% | 0.85 | 75% | 0.75 | S | S | * | * | | | trans | -29 | 169.2 | 153.1 | -94.3 | 177.1 | -88.2 | 0 | 0 | 117 | | |
| 407 | P | 51.8 | Low | 33.6 | Very low | 105 Ų | 105 | 120.7 Ų | 120.7 | 68% | 0.682 | 75% | 0.746 | S | S | * | * | | | cis | -130.6 | -119.8 | -38.9 | 34.5 | -11.8 | 0 | 0 | 0 | 109.1 | | |
| 408 | P | 43.3 | Very low | 33.6 | Very low | 99 Ų | 99 | 126.3 Ų | 126.3 | 64% | 0.643 | 75% | 0.753 | S | S | * | * | | | cis | -131.2 | 170.2 | -44.2 | 33.7 | -14.2 | 0 | 0 | 0 | 117.3 | | |
| 409 | S | 30.8 | Very low | 33.5 | Very low | 106 Ų | 106 | 121.9 Ų | 121.9 | 74% | 0.741 | 75% | 0.751 | S | S | * | * | | | trans | 80.9 | 147.5 | 138.9 | 51.3 | 0 | 0 | 0 | 0 | 125 | | |
| 410 | P | 54.8 | Low | 33.3 | Very low | 119 Ų | 119 | 120.1 Ų | 120.1 | 77% | 0.773 | 75% | 0.75 | S | S | * | * | | | trans | -105.6 | -144.8 | 177.2 | 46.5 | -37.2 | 0 | 0 | 0 | 110.8 | | |
| 411 | P | 48.2 | Very low | 33.4 | Very low | 119 Ų | 119 | 120.2 Ų | 120.2 | 77% | 0.773 | 75% | 0.751 | S | S | * | * | | | cis | -139.4 | -179.6 | -11.1 | 41.5 | -22.8 | 0 | 0 | 0 | 117.2 | | |
| 412 | A | 28.9 | Very low | 32.7 | Very low | 91 Ų | 91 | 121.4 Ų | 121.4 | 75% | 0.752 | 75% | 0.751 | S | S | * | * | | | trans | 171 | 147.8 | 139 | 0 | 0 | 0 | 0 | 0 | 110.5 | | |
| 413 | L | 31.2 | Very low | 33 | Very low | 171 Ų | 171 | 119.7 Ų | 119.7 | 90% | 0.895 | 75% | 0.747 | S | S | * | * | | | cis | -153 | 177.4 | -14.3 | -117.1 | 171.5 | 0 | 0 | 0 | 110 | | |
| 414 | A | 27.5 | Very low | 33.2 | Very low | 90 Ų | 90 | 122.8 Ų | 122.8 | 74% | 0.744 | 75% | 0.753 | S | S | * | * | | | trans | -53.6 | 175.3 | -175.9 | 0 | 0 | 0 | 0 | 0 | 117.5 | | |
| 415 | S | 27.2 | Very low | 33.3 | Very low | 98 Ų | 98 | 121.9 Ų | 121.9 | 69% | 0.685 | 75% | 0.747 | S | S | * | * | | | cis | 170.7 | 155.8 | -26.7 | 179.3 | 0 | 0 | 0 | 0 | 107.9 | | |
| 416 | S | 30.4 | Very low | 34 | Very low | 100 Ų | 100 | 124.9 Ų | 124.9 | 70% | 0.699 | 75% | 0.748 | S | S | * | * | | | trans | 34.2 | 112.9 | 155.3 | 52.6 | 0 | 0 | 0 | 0 | 119.8 | | |
| 417 | S | 29.3 | Very low | 35 | Very low | 97 Ų | 97 | 122.2 Ų | 122.2 | 68% | 0.678 | 75% | 0.747 | S | S | * | * | | | | 82.6 | 131.3 | 59.1 | -162.5 | 0 | 0 | 0 | 0 | 116.2 | | |
| 418 | Y | 29.8 | Very low | 33.9 | Very low | 222 Ų | 222 | 120.8 Ų | 120.8 | 87% | 0.871 | 75% | 0.752 | S | S | * | * | | | trans | 85.3 | 118.9 | 168.5 | -66.5 | -68 | 0 | 0 | 0 | 122.9 | | |
| 419 | A | 25.9 | Very low | 33.4 | Very low | 93 Ų | 93 | 121.3 Ų | 121.3 | 77% | 0.769 | 76% | 0.757 | S | S | * | * | | | trans | 85 | 134.2 | 133.2 | 0 | 0 | 0 | 0 | 0 | 123.2 | | |
| 420 | A | 24.9 | Very low | 33.3 | Very low | 96 Ų | 96 | 122.1 Ų | 122.1 | 79% | 0.793 | 76% | 0.758 | S | S | * | * | | | trans | 66.8 | 151.8 | 161 | 0 | 0 | 0 | 0 | 0 | 117.9 | | |
| 421 | T | 32.4 | Very low | 32.3 | Very low | 124 Ų | 124 | 123.4 Ų | 123.4 | 76% | 0.761 | 76% | 0.757 | S | S | * | * | | | cis | -110.1 | -132.7 | -3.2 | 39.6 | 0 | 0 | 0 | 0 | 111 | | |
| 422 | D | 29.3 | Very low | 31.5 | Very low | 131 Ų | 131 | 128.6 Ų | 128.6 | 70% | 0.701 | 76% | 0.762 | S | S | * | * | | | cis | -158.8 | -158.5 | -3.4 | -143.3 | -74.3 | 0 | 0 | 0 | 112.9 | | |
| 423 | T | 35.1 | Very low | 31.6 | Very low | 122 Ų | 122 | 129 Ų | 129 | 75% | 0.748 | 76% | 0.759 | S | S | * | * | | | trans | -78.5 | 169.5 | -179.8 | 46.9 | 0 | 0 | 0 | 0 | 114.6 | | |
| 424 | E | 32.6 | Very low | 31.4 | Very low | 143 Ų | 143 | 126.1 Ų | 126.1 | 67% | 0.668 | 75% | 0.753 | S | S | * | * | | | cis | -147.8 | 162.7 | 13.4 | -145.5 | -164.9 | 160 | 0 | 0 | 113.3 | | |
| 425 | K | 32.2 | Very low | 31.4 | Very low | 159 Ų | 159 | 128.1 Ų | 128.1 | 69% | 0.691 | 76% | 0.756 | S | S | * | * | | | trans | 25.5 | 125.6 | 164.9 | -72.5 | 161.6 | -176 | 149 | 0 | 121.2 | | |
| 426 | I | 41.6 | Very low | 31.8 | Very low | 155 Ų | 155 | 129.3 Ų | 129.3 | 80% | 0.795 | 76% | 0.76 | S | S | * | * | | | cis | 72.6 | 137.5 | 48.9 | -60.4 | 173.1 | 0 | 0 | 0 | 113.3 | | |
| 427 | P | 47.4 | Very low | 32 | Very low | 126 Ų | 126 | 130.1 Ų | 130.1 | 82% | 0.818 | 76% | 0.762 | S | S | * | * | | | cis | -113.2 | 176.1 | 2 | 25.1 | -4.4 | 0 | 0 | 0 | 113.9 | | |
| 428 | G | 29.2 | Very low | 32.2 | Very low | 76 Ų | 76 | 131.4 Ų | 131.4 | 78% | 0.784 | 77% | 0.769 | S | S | * | * | | | cis | 166.3 | 157.9 | -1.5 | 0 | 0 | 0 | 0 | 0 | 109.1 | | |
| 429 | S | 32.9 | Very low | 32.3 | Very low | 109 Ų | 109 | 129.4 Ų | 129.4 | 76% | 0.762 | 77% | 0.767 | S | S | * | * | | | cis | -153.5 | 138.1 | 3.8 | 55.7 | 0 | 0 | 0 | 0 | 111.7 | | |
| 430 | T | 29.3 | Very low | 32.6 | Very low | 123 Ų | 123 | 130 Ų | 130 | 76% | 0.755 | 77% | 0.766 | S | S | * | * | | | trans | 49.7 | 115 | 151.4 | -17.8 | 0 | 0 | 0 | 0 | 118.8 | | |
| 431 | L | 33 | Very low | 32.9 | Very low | 146 Ų | 146 | 132.7 Ų | 132.7 | 76% | 0.764 | 76% | 0.762 | S | S | * | * | | | | 54.1 | 146.7 | 66.5 | -78.3 | 84.2 | 0 | 0 | 0 | 114.3 | | |
| 432 | R | 31.6 | Very low | 32.8 | Very low | 228 Ų | 228 | 132.5 Ų | 132.5 | 86% | 0.86 | 76% | 0.761 | S | S | * | * | | | cis | -152.4 | 178 | 2.4 | -145.5 | -176.5 | -172.7 | -170.7 | 4 | 111.1 | | |
| 433 | S | 30.6 | Very low | 32.6 | Very low | 101 Ų | 101 | 131.2 Ų | 131.2 | 71% | 0.706 | 75% | 0.754 | S | S | * | * | | | trans | -88.8 | 162 | 179.3 | 23.1 | 0 | 0 | 0 | 0 | 116 | | |
| 434 | S | 27.7 | Very low | 32.4 | Very low | 110 Ų | 110 | 133.5 Ų | 133.5 | 77% | 0.769 | 76% | 0.76 | S | S | * | * | | | trans | 128.5 | 143 | 137 | 73.3 | 0 | 0 | 0 | 0 | 117.1 | | |
| 435 | T | 27.8 | Very low | 32.4 | Very low | 131 Ų | 131 | 136.3 Ų | 136.3 | 80% | 0.804 | 77% | 0.771 | S | S | * | * | S | Bend | trans | 74.6 | 138.1 | 168.5 | -43.5 | 0 | 0 | 0 | 0 | 118.1 | | |
| 436 | T | 33.9 | Very low | 32.2 | Very low | 123 Ų | 123 | 134.1 Ų | 134.1 | 76% | 0.755 | 78% | 0.776 | S | S | * | * | | | trans | -39.7 | 140.7 | 179.1 | -46.6 | 0 | 0 | 0 | 0 | 115 | | |
| 437 | P | 36.3 | Very low | 31.6 | Very low | 117 Ų | 117 | 135.3 Ų | 135.3 | 76% | 0.76 | 78% | 0.783 | S | S | * | * | P | Polyproline II helix | trans | -72.5 | 139.1 | -163.1 | 27.4 | -37.1 | 0 | 0 | 0 | 115.3 | | |
| 438 | P | 32.7 | Very low | 31 | Very low | 124 Ų | 124 | 133.4 Ų | 133.4 | 81% | 0.805 | 78% | 0.777 | S | S | * | * | P | Polyproline II helix | trans | -81.4 | 169.6 | 158.1 | 35.1 | -33.4 | 0 | 0 | 0 | 112.3 | | |
| 439 | Q | 32.9 | Very low | 30.8 | Very low | 181 Ų | 181 | 136.9 Ų | 136.9 | 85% | 0.846 | 78% | 0.778 | S | S | * | * | P | Polyproline II helix | trans | -101.2 | 173.5 | -176.6 | 179.4 | 179.3 | -12.6 | 0 | 0 | 111.4 | | |
| 440 | S | 31.1 | Very low | 30.9 | Very low | 105 Ų | 105 | 137.3 Ų | 137.3 | 73% | 0.734 | 78% | 0.776 | S | S | * | * | | | trans | 74.9 | 159.8 | -179.4 | 78.8 | 0 | 0 | 0 | 0 | 113.7 | | |
| 441 | Q | 32.4 | Very low | 31.8 | Very low | 152 Ų | 152 | 136.5 Ų | 136.5 | 71% | 0.71 | 77% | 0.772 | S | S | * | * | | | cis | -122.1 | -165.6 | 16.1 | -65 | 169.6 | -24.8 | 0 | 0 | 109.9 | | |
| 442 | T | 28.8 | Very low | 31.5 | Very low | 120 Ų | 120 | 134.4 Ų | 134.4 | 74% | 0.736 | 77% | 0.77 | S | S | * | * | | | cis | -161.3 | 145.3 | 20.1 | -52.1 | 0 | 0 | 0 | 0 | 108.6 | | |
| 443 | D | 26.6 | Very low | 31.2 | Very low | 104 Ų | 104 | 130 Ų | 130 | 56% | 0.556 | 77% | 0.769 | S | S | * | * | | | cis | -155.2 | 159.7 | -30.2 | -99.9 | -16.5 | 0 | 0 | 0 | 107.5 | | |
| 444 | L | 30.2 | Very low | 31.2 | Very low | 170 Ų | 170 | 131.5 Ų | 131.5 | 89% | 0.89 | 77% | 0.774 | S | S | * | * | | | trans | -112.1 | 116.6 | 159.4 | -166.4 | 75.3 | 0 | 0 | 0 | 107.9 | | |
| 445 | F | 31.7 | Very low | 31.7 | Very low | 203 Ų | 203 | 132.4 Ų | 132.4 | 89% | 0.89 | 78% | 0.777 | S | S | * | * | | | trans | -62.9 | 141.3 | -177.6 | -75.2 | -84.9 | 0 | 0 | 0 | 112.1 | | |
| 446 | S | 27.6 | Very low | 31.5 | Very low | 113 Ų | 113 | 129.7 Ų | 129.7 | 79% | 0.79 | 78% | 0.775 | S | S | * | * | | | trans | -150.5 | 140.8 | 172.1 | -174.4 | 0 | 0 | 0 | 0 | 110.2 | | |
| 447 | L | 30.8 | Very low | 31.3 | Very low | 180 Ų | 180 | 132.3 Ų | 132.3 | 94% | 0.942 | 78% | 0.783 | S | S | * | * | | | trans | -150.4 | 158.2 | 164.7 | -142.8 | 72.7 | 0 | 0 | 0 | 108.7 | | |
| 448 | A | 33.4 | Very low | 30.8 | Very low | 85 Ų | 85 | 132.1 Ų | 132.1 | 70% | 0.702 | 78% | 0.784 | S | S | * | * | | | trans | -124.3 | 167.6 | -158.8 | 0 | 0 | 0 | 0 | 0 | 114 | | |
| 449 | D | 25.9 | Very low | 31.8 | Very low | 149 Ų | 149 | 131.5 Ų | 131.5 | 80% | 0.797 | 78% | 0.78 | S | S | * | * | | | trans | -164.1 | 118.9 | 133.1 | -109.5 | -17.3 | 0 | 0 | 0 | 114.2 | | |
| 450 | V | 33.8 | Very low | 31.6 | Very low | 118 Ų | 118 | 130.2 Ų | 130.2 | 72% | 0.715 | 78% | 0.779 | S | S | * | * | | | | 37.8 | 139.2 | 107.3 | 178 | 0 | 0 | 0 | 0 | 118.6 | | |
| 451 | P | 48.5 | Very low | 31.3 | Very low | 106 Ų | 106 | 129.7 Ų | 129.7 | 69% | 0.688 | 78% | 0.775 | S | S | * | * | | | cis | -145.3 | 176.3 | -25.4 | 41.1 | -21.4 | 0 | 0 | 0 | 117.3 | | |
| 452 | S | 26.4 | Very low | 31.1 | Very low | 103 Ų | 103 | 127.3 Ų | 127.3 | 72% | 0.72 | 78% | 0.775 | S | S | * | * | | | trans | 41.4 | 131.5 | 142.6 | 66.9 | 0 | 0 | 0 | 0 | 124.2 | | |
| 453 | V | 27.2 | Very low | 31.2 | Very low | 136 Ų | 136 | 127 Ų | 127 | 82% | 0.824 | 78% | 0.778 | S | S | * | * | | | | -177.6 | 144.7 | 111.5 | 146 | 0 | 0 | 0 | 0 | 111.2 | | |
| 454 | T | 29.8 | Very low | 31.4 | Very low | 132 Ų | 132 | 131.9 Ų | 131.9 | 81% | 0.81 | 79% | 0.794 | S | S | * | * | | | trans | -125.3 | 152.2 | 171 | 53 | 0 | 0 | 0 | 0 | 109.3 | | |
| 455 | P | 38.8 | Very low | 31.3 | Very low | 129 Ų | 129 | 126.9 Ų | 126.9 | 84% | 0.838 | 78% | 0.784 | S | S | * | * | | | | -150.5 | 168.9 | 84.2 | 39.1 | -20.7 | 0 | 0 | 0 | 115.7 | | |
| 456 | G | 23.9 | Very low | 31.4 | Very low | 74 Ų | 74 | 128.6 Ų | 128.6 | 76% | 0.763 | 79% | 0.785 | S | S | * | * | | | trans | -178.6 | 33.1 | -179.4 | 0 | 0 | 0 | 0 | 0 | 123.1 | | |
| 457 | L | 27.9 | Very low | 31.7 | Very low | 178 Ų | 178 | 132 Ų | 132 | 93% | 0.932 | 79% | 0.785 | S | S | * | * | | | trans | 61.6 | 161.1 | 160.2 | -62.1 | 179 | 0 | 0 | 0 | 121.4 | | |
| 458 | S | 26.5 | Very low | 31.6 | Very low | 112 Ų | 112 | 130.6 Ų | 130.6 | 78% | 0.783 | 78% | 0.778 | S | S | * | * | | | trans | -103.2 | -156.4 | -161.7 | -46.1 | 0 | 0 | 0 | 0 | 113.2 | | |
| 459 | P | 53.6 | Low | 31.6 | Very low | 111 Ų | 111 | 129.7 Ų | 129.7 | 72% | 0.721 | 78% | 0.777 | S | S | * | * | | | | -124.7 | -133.5 | -115.2 | 37.6 | -14.3 | 0 | 0 | 0 | 113.2 | | |
| 460 | L | 28.9 | Very low | 31.7 | Very low | 154 Ų | 154 | 129.2 Ų | 129.2 | 81% | 0.806 | 78% | 0.775 | S | S | * | * | | | trans | 72.9 | 167.4 | -178 | -83.4 | 69 | 0 | 0 | 0 | 115.3 | | |
| 461 | S | 25.6 | Very low | 31.8 | Very low | 95 Ų | 95 | 130.3 Ų | 130.3 | 66% | 0.664 | 78% | 0.776 | S | S | * | * | | | cis | -178.7 | 141.4 | -44.4 | -97.9 | 0 | 0 | 0 | 0 | 109.9 | | |
| 462 | S | 28.4 | Very low | 31 | Very low | 101 Ų | 101 | 135.2 Ų | 135.2 | 71% | 0.706 | 78% | 0.781 | S | S | * | * | | | trans | 54.3 | 136.4 | 145.9 | 71 | 0 | 0 | 0 | 0 | 122.3 | | |
| 463 | S | 29.8 | Very low | 31.2 | Very low | 115 Ų | 115 | 133.8 Ų | 133.8 | 80% | 0.804 | 78% | 0.775 | S | S | * | * | | | trans | 73.6 | 169.6 | 144 | 97.6 | 0 | 0 | 0 | 0 | 116.4 | | |
| 464 | K | 31.4 | Very low | 32.1 | Very low | 206 Ų | 206 | 131.7 Ų | 131.7 | 90% | 0.896 | 76% | 0.764 | S | S | * | * | | | cis | -179.7 | 127.2 | -31.7 | 167.5 | 174.6 | -179.1 | 173.3 | 0 | 108.4 | | |
| 465 | G | 27.1 | Very low | 32.3 | Very low | 65 Ų | 65 | 132.5 Ų | 132.5 | 67% | 0.67 | 76% | 0.759 | S | S | * | * | | | trans | 135.8 | 168.8 | 169.7 | 0 | 0 | 0 | 0 | 0 | 111.7 | | |
| 466 | R | 34 | Very low | 32.1 | Very low | 239 Ų | 239 | 134.1 Ų | 134.1 | 90% | 0.902 | 75% | 0.753 | S | S | * | * | | | cis | 170.7 | 152.3 | -19.3 | -120.5 | -167.4 | -175.8 | -79.7 | 6.7 | 103.5 | | |
| 467 | K | 34.3 | Very low | 32.5 | Very low | 184 Ų | 184 | 136.5 Ų | 136.5 | 80% | 0.8 | 75% | 0.748 | S | S | * | * | | | trans | 75.7 | 137.7 | 179.9 | -65.2 | -157 | 168.1 | -154.1 | 0 | 115.1 | | |
| 468 | D | 28.8 | Very low | 33.1 | Very low | 150 Ų | 150 | 138 Ų | 138 | 80% | 0.802 | 74% | 0.741 | S | S | * | * | | | cis | 104.2 | 139 | 23.2 | -178.1 | 47.1 | 0 | 0 | 0 | 112.5 | | |
| 469 | G | 33.4 | Very low | 33.4 | Very low | 66 Ų | 66 | 138.6 Ų | 138.6 | 68% | 0.68 | 74% | 0.735 | S | S | * | * | | | trans | 96.1 | 106.9 | -157.7 | 0 | 0 | 0 | 0 | 0 | 111.6 | | |
| 470 | D | 28.7 | Very low | 32.5 | Very low | 139 Ų | 139 | 140.2 Ų | 140.2 | 74% | 0.743 | 74% | 0.737 | S | S | * | * | | | cis | 103.9 | 143.8 | 20.9 | -164.3 | 28.3 | 0 | 0 | 0 | 113.9 | | |
| 471 | L | 34.6 | Very low | 32.5 | Very low | 141 Ų | 141 | 138.3 Ų | 138.3 | 74% | 0.738 | 74% | 0.735 | S | S | * | * | | | trans | 68.1 | 146 | 176.2 | -49 | -175.5 | 0 | 0 | 0 | 116.3 | | |
| 472 | R | 32.5 | Very low | 32.6 | Very low | 210 Ų | 210 | 139.4 Ų | 139.4 | 79% | 0.792 | 74% | 0.738 | S | S | * | * | | | cis | -155.6 | 146.7 | -1.4 | -125.4 | -92.1 | -67.9 | -147.1 | -1.4 | 112 | | |
| 473 | A | 29.9 | Very low | 32.8 | Very low | 72 Ų | 72 | 145.7 Ų | 145.7 | 60% | 0.595 | 75% | 0.746 | S | S | * | * | | | trans | -80 | -177.3 | 166 | 0 | 0 | 0 | 0 | 0 | 112.1 | | |
| 474 | P | 46.1 | Very low | 33.4 | Very low | 93 Ų | 93 | 145.3 Ų | 145.3 | 60% | 0.604 | 74% | 0.741 | S | S | * | * | | | | -147.2 | 142.5 | 95.1 | 36.4 | -20 | 0 | 0 | 0 | 117 | | |
| 475 | E | 35 | Very low | 33.3 | Very low | 148 Ų | 148 | 140 Ų | 140 | 69% | 0.692 | 73% | 0.73 | S | S | * | * | | | trans | 66.6 | 148.6 | 140 | -66.4 | -174.4 | 135.3 | 0 | 0 | 119.3 | | |
| 476 | K | 33.9 | Very low | 33.4 | Very low | 164 Ų | 164 | 142.4 Ų | 142.4 | 71% | 0.713 | 73% | 0.732 | S | S | * | * | | | cis | -156.9 | 158.7 | 12.8 | -118.5 | 149 | -171.7 | 145.5 | 0 | 106.5 | | |
| 477 | N | 32 | Very low | 33.2 | Very low | 124 Ų | 124 | 138.7 Ų | 138.7 | 66% | 0.663 | 73% | 0.729 | S | S | * | * | | | cis | -165.4 | 158 | 6.2 | 76 | 132.7 | 0 | 0 | 0 | 112.2 | | |
| 478 | R | 41.2 | Very low | 32.8 | Very low | 209 Ų | 209 | 134 Ų | 134 | 79% | 0.789 | 72% | 0.719 | S | S | * | * | | | trans | 45 | 132.3 | 134.6 | -64.5 | -175.8 | 172.3 | -178.6 | -3.3 | 120.7 | | |
| 479 | N | 31.7 | Very low | 32.8 | Very low | 124 Ų | 124 | 135.3 Ų | 135.3 | 66% | 0.663 | 72% | 0.718 | S | S | * | * | | | cis | -152.8 | 131.3 | 5.3 | -79.1 | -39.1 | 0 | 0 | 0 | 113.2 | | |
| 480 | I | 35.9 | Very low | 32.8 | Very low | 145 Ų | 145 | 139.4 Ų | 139.4 | 74% | 0.744 | 72% | 0.722 | S | S | * | * | | | | 46.2 | 109.6 | 125.4 | -53.8 | 170.4 | 0 | 0 | 0 | 118.4 | | |
| 481 | C | 28.5 | Very low | 33.8 | Very low | 115 Ų | 115 | 137.8 Ų | 137.8 | 78% | 0.777 | 72% | 0.72 | S | S | * | * | | | | 77 | 151.4 | 82.9 | -125.6 | 0 | 0 | 0 | 0 | 114.3 | | |
| 482 | T | 26.8 | Very low | 34.1 | Very low | 117 Ų | 117 | 136.7 Ų | 136.7 | 72% | 0.718 | 72% | 0.721 | S | S | * | * | | | cis | -160.3 | 159.5 | 35.9 | -43.5 | 0 | 0 | 0 | 0 | 113.6 | | |
| 483 | R | 34.4 | Very low | 34 | Very low | 234 Ų | 234 | 133.9 Ų | 133.9 | 88% | 0.883 | 72% | 0.72 | S | S | * | * | | | trans | -143.1 | 128.7 | 160.3 | -177.2 | -171.8 | -175.3 | -171.6 | 4.1 | 111.9 | | |
| 484 | P | 41.8 | Very low | 34.1 | Very low | 106 Ų | 106 | 137.2 Ų | 137.2 | 69% | 0.688 | 73% | 0.728 | S | S | * | * | | | trans | -132.4 | 176 | 141.5 | 18.2 | 4.2 | 0 | 0 | 0 | 110.7 | | |
| 485 | S | 27.9 | Very low | 33.5 | Very low | 96 Ų | 96 | 140 Ų | 140 | 67% | 0.671 | 73% | 0.733 | S | S | * | * | | | cis | 130.9 | 135.5 | -15.3 | -170.7 | 0 | 0 | 0 | 0 | 113.1 | | |
| 486 | T | 29.3 | Very low | 33.5 | Very low | 115 Ų | 115 | 137.5 Ų | 137.5 | 71% | 0.706 | 73% | 0.732 | S | S | * | * | | | trans | 77.6 | 130.9 | 152.1 | 19.7 | 0 | 0 | 0 | 0 | 122.8 | | |
| 487 | L | 30.2 | Very low | 33.4 | Very low | 161 Ų | 161 | 136.1 Ų | 136.1 | 84% | 0.843 | 74% | 0.737 | S | S | * | * | | | trans | 72.9 | 154.5 | 151.4 | -59.5 | 170.4 | 0 | 0 | 0 | 119.5 | | |
| 488 | S | 27.3 | Very low | 33.4 | Very low | 84 Ų | 84 | 134 Ų | 134 | 59% | 0.587 | 74% | 0.737 | S | S | * | * | | | cis | -172.1 | 171.2 | -29 | 50.9 | 0 | 0 | 0 | 0 | 112.5 | | |
| 489 | F | 28.6 | Very low | 32.9 | Very low | 178 Ų | 178 | 132.2 Ų | 132.2 | 78% | 0.781 | 74% | 0.742 | S | S | * | * | | | trans | 76.1 | 100.4 | 166.2 | -68.6 | -87.8 | 0 | 0 | 0 | 124 | | |
| 490 | I | 32.8 | Very low | 32.9 | Very low | 152 Ų | 152 | 131.1 Ų | 131.1 | 78% | 0.779 | 74% | 0.744 | S | S | * | * | | | | 45.8 | 175.8 | 129.5 | 1.9 | 178.9 | 0 | 0 | 0 | 122.7 | | |
| 491 | P | 49.7 | Very low | 32.7 | Very low | 106 Ų | 106 | 129.5 Ų | 129.5 | 69% | 0.688 | 75% | 0.746 | S | S | * | * | | | | -122.4 | -173.3 | -119.9 | 46.2 | -27.8 | 0 | 0 | 0 | 115.8 | | |
| 492 | P | 40.5 | Very low | 33 | Very low | 118 Ų | 118 | 130.1 Ų | 130.1 | 77% | 0.766 | 75% | 0.751 | S | S | * | * | | | | -147.8 | 146.5 | 91.3 | 38.3 | -21 | 0 | 0 | 0 | 118 | | |
| 493 | I | 30.8 | Very low | 33.1 | Very low | 151 Ų | 151 | 127.5 Ų | 127.5 | 77% | 0.774 | 75% | 0.748 | S | S | * | * | | | trans | 17.6 | 115.3 | 141.8 | -54.2 | 165.7 | 0 | 0 | 0 | 118.8 | | |
| 494 | N | 31.9 | Very low | 33.1 | Very low | 142 Ų | 142 | 126.1 Ų | 126.1 | 76% | 0.759 | 75% | 0.748 | S | S | * | * | | | | -168.8 | 151.2 | 105 | -125.6 | -6.3 | 0 | 0 | 0 | 115.1 | | |
| 495 | E | 32.4 | Very low | 32.6 | Very low | 152 Ų | 152 | 126.2 Ų | 126.2 | 71% | 0.71 | 75% | 0.75 | S | S | * | * | | | trans | 18 | 101.3 | 167 | -63.8 | -55.8 | 147.3 | 0 | 0 | 123.5 | | |
| 496 | S | 35.2 | Very low | 32.9 | Very low | 95 Ų | 95 | 131.5 Ų | 131.5 | 66% | 0.664 | 76% | 0.761 | S | S | * | * | | | | 59.3 | 74.4 | 114.4 | -51 | 0 | 0 | 0 | 0 | 122.2 | | |
| 497 | T | 33.5 | Very low | 33.5 | Very low | 135 Ų | 135 | 134.4 Ų | 134.4 | 83% | 0.828 | 77% | 0.766 | S | S | * | * | | | | 45.1 | 95.1 | 127.4 | -48.1 | 0 | 0 | 0 | 0 | 119.3 | | |
| 498 | A | 31.7 | Very low | 34.2 | Very low | 79 Ų | 79 | 130.9 Ų | 130.9 | 65% | 0.653 | 75% | 0.753 | S | S | * | * | | | | 67.5 | 116 | 101.9 | 0 | 0 | 0 | 0 | 0 | 117.1 | | |
| 499 | L | 30 | Very low | 35 | Very low | 172 Ų | 172 | 131 Ų | 131 | 90% | 0.901 | 75% | 0.754 | S | S | * | * | | | | 65.5 | 146.8 | 69 | -63.8 | 168.2 | 0 | 0 | 0 | 114.6 | | |
| 500 | S | 31.7 | Very low | 36.3 | Very low | 100 Ų | 100 | 127.4 Ų | 127.4 | 70% | 0.699 | 75% | 0.749 | S | S | * | * | | | cis | 174.2 | 131 | -28.7 | 175.5 | 0 | 0 | 0 | 0 | 108.6 | | |
| 501 | S | 31.1 | Very low | 37.4 | Very low | 112 Ų | 112 | 123.9 Ų | 123.9 | 78% | 0.783 | 74% | 0.742 | S | S | * | * | | | trans | 161.5 | 130.2 | 152.4 | 40.5 | 0 | 0 | 0 | 0 | 108.8 | | |
| 502 | S | 34.7 | Very low | 37.6 | Very low | 127 Ų | 127 | 123.3 Ų | 123.3 | 89% | 0.888 | 73% | 0.733 | S | S | * | * | | | cis | 78.4 | 97.9 | 37.6 | -164.2 | 0 | 0 | 0 | 0 | 113.4 | | |
| 503 | G | 30.1 | Very low | 38.4 | Very low | 63 Ų | 63 | 121.2 Ų | 121.2 | 65% | 0.649 | 72% | 0.721 | S | S | * | * | | | trans | -173.6 | 44.7 | -167.4 | 0 | 0 | 0 | 0 | 0 | 119.7 | | |
| 504 | K | 34.5 | Very low | 39.5 | Very low | 205 Ų | 205 | 119.2 Ų | 119.2 | 89% | 0.891 | 71% | 0.712 | S | S | * | * | | | trans | 68 | 146.1 | 167.1 | -57.9 | 112.5 | 179.1 | -177.4 | 0 | 117.9 | | |
| 505 | C | 31.2 | Very low | 40.9 | Very low | 107 Ų | 107 | 117.8 Ų | 117.8 | 72% | 0.723 | 70% | 0.704 | S | S | * | * | | | trans | -99.7 | 148.8 | -176.3 | -54.7 | 0 | 0 | 0 | 0 | 112.3 | | |
| 506 | F | 33 | Very low | 42.2 | Very low | 208 Ų | 208 | 115.5 Ų | 115.5 | 91% | 0.912 | 70% | 0.695 | S | S | * | * | | | trans | -120.4 | 134.2 | 155 | -85.2 | -91.4 | 0 | 0 | 0 | 108.2 | | |
| 507 | H | 41.8 | Very low | 43.1 | Very low | 175 Ų | 175 | 115 Ų | 115 | 81% | 0.81 | 69% | 0.685 | S | S | * | * | P | Polyproline II helix | trans | -95.6 | 120.6 | 179.2 | -69.7 | -89.4 | 0 | 0 | 0 | 110.6 | | |
| 508 | P | 44.8 | Very low | 44.4 | Very low | 87 Ų | 87 | 117.6 Ų | 117.6 | 57% | 0.565 | 68% | 0.679 | S | S | * | * | P | Polyproline II helix | trans | -77.4 | 158.9 | 166 | 33.1 | -33.6 | 0 | 0 | 0 | 111.1 | L512 | P508-L512 HydrophobicContact CB-CD1 4.32Š|
| 509 | S | 45.6 | Very low | 45.4 | Very low | 88 Ų | 88 | 117.2 Ų | 117.2 | 62% | 0.615 | 67% | 0.672 | S | S | * | * | P | Polyproline II helix | trans | -62.9 | 149.7 | -175.9 | -50.7 | 0 | 0 | 0 | 0 | 113.6 | A511 L512 | S509-A511 VanDerWaalsContact C-N 3.26Å; S509-A511 PolarHBondContact O-N 3.26Å; S509-L512 PolarHBondContact O-N 3.36Å; S509-L512 VanDerWaalsContact O-N 3.13Å |
| 510 | P | 55 | Low | 46.4 | Very low | 102 Ų | 102 | 115.8 Ų | 115.8 | 66% | 0.662 | 66% | 0.659 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -52.3 | -34.3 | -170.9 | -30.6 | 36 | 0 | 0 | 0 | 116.2 | L512 S513 | P510-L512 PolarHBondContact O-N 2.97Å; P510-S513 WeakPolarHBondContact O-CB 3.48Å; P510-S513 PolarHBondContact O-N 2.89Å |
| 511 | A | 55.8 | Low | 47.2 | Very low | 77 Ų | 77 | 118.9 Ų | 118.9 | 64% | 0.636 | 66% | 0.655 | S | S | * | * | H | α-helix | trans | -57.7 | -21.4 | -178.9 | 0 | 0 | 0 | 0 | 0 | 114.7 | S509 | S509-A511 VanDerWaalsContact C-N 3.26Å; S509-A511 PolarHBondContact O-N 3.26Å |
| 512 | L | 54.4 | Low | 47.9 | Very low | 95 Ų | 95 | 119.2 Ų | 119.2 | 50% | 0.497 | 65% | 0.652 | S | S | . | * | H | α-helix | trans | -85.9 | -24.3 | 175 | -66 | 179.9 | 0 | 0 | 0 | 113.2 | P508 S509 P510 I516 | P508-L512 HydrophobicContact CB-CD1 4.32Å; S509-L512 PolarHBondContact O-N 3.36Å; S509-L512 VanDerWaalsContact O-N 3.13Å; P510-L512 PolarHBondContact O-N 2.97Å; L512-I516 WeakPolarHBondContact O-CG1 3.45Å; L512-I516 PolarHBondContact O-N 3.5Å |
| 513 | S | 56.8 | Low | 48.2 | Very low | 73 Ų | 73 | 118.4 Ų | 118.4 | 51% | 0.51 | 65% | 0.646 | S | S | . | * | H | α-helix | trans | -67 | -47.5 | 174.5 | -64.9 | 0 | 0 | 0 | 0 | 111.1 | P510 L515 I516 D517 | P510-S513 WeakPolarHBondContact O-CB 3.48Å; P510-S513 PolarHBondContact O-N 2.89Å; S513-L515 VanDerWaalsContact C-N 3.25Å; S513-L515 PolarHBondContact O-N 3.05Å; S513-I516 PolarHBondContact O-N 3.05Å; S513-D517 WeakPolarHBondContact O-CB 3.31Å; S513-D517 PolarHBondContact O-N 3.43Å |
| 514 | D | 53.8 | Low | 49 | Very low | 110 Ų | 110 | 120.2 Ų | 120.2 | 59% | 0.588 | 65% | 0.648 | S | S | * | * | H | α-helix | trans | -60.7 | -34 | 178.1 | -72.4 | -44 | 0 | 0 | 0 | 113 | R518 | D514-R518 WeakPolarHBondContact O-CB 3.32Å; D514-R518 PolarHBondContact O-N 3.02Å |
| 515 | L | 62.3 | Low | 49.5 | Very low | 112 Ų | 112 | 118.4 Ų | 118.4 | 59% | 0.586 | 64% | 0.643 | S | S | * | * | H | α-helix | trans | -69.5 | -42.3 | 177 | -174.7 | 61.9 | 0 | 0 | 0 | 111.8 | S513 S519 | S513-L515 VanDerWaalsContact C-N 3.25Å; S513-L515 PolarHBondContact O-N 3.05Å; L515-S519 WeakPolarHBondContact O-CB 3.49Å; L515-S519 PolarHBondContact O-N 3.35Å |
| 516 | I | 60.2 | Low | 49.4 | Very low | 104 Ų | 104 | 124.1 Ų | 124.1 | 53% | 0.533 | 65% | 0.649 | S | S | . | * | H | α-helix | trans | -66.6 | -40.3 | 175.4 | -68.4 | 167.5 | 0 | 0 | 0 | 110.2 | L512 S513 S519 K520 | L512-I516 WeakPolarHBondContact O-CG1 3.45Å; L512-I516 PolarHBondContact O-N 3.5Å; S513-I516 PolarHBondContact O-N 3.05Å; I516-S519 CarbonylContact O-C 3.59Å; I516-S519 WeakPolarHBondContact O-CA 3.3Å; I516-S519 WeakPolarHBondContact O-CB 3.49Å; I516-S519 PolarHBondContact O-N 2.89Å; I516-K520 WeakPolarHBondContact O-CG 3.3Å; I516-K520 PolarHBondContact O-N 3.48Å |
| 517 | D | 53.7 | Low | 49.4 | Very low | 85 Ų | 85 | 122 Ų | 122 | 46% | 0.455 | 64% | 0.642 | S | S | . | * | H | α-helix | trans | -74.7 | -26.1 | -177.9 | -149 | 61.7 | 0 | 0 | 0 | 113.2 | S513 R521 | S513-D517 WeakPolarHBondContact O-CB 3.31Å; S513-D517 PolarHBondContact O-N 3.43Å; D517-R521 PolarHBondContact O-N 3.2Å; D517-R521 PolarHBondContact O-NE 2.9Å; D517-R521 IonicContact OD2-CZ 2.71Å; D517-R521 IonicContact OD2-NE 3.42Å; D517-R521 IonicContact OD2-NH2 3.59Å; D517-R521 PolarHBondContact OD2-NH2 2.91Å |
| 518 | R | 60.6 | Low | 48.9 | Very low | 188 Ų | 188 | 119.4 Ų | 119.4 | 71% | 0.709 | 64% | 0.643 | S | S | * | * | H | α-helix | trans | -66.6 | -42.1 | 161.3 | -98.3 | -179.3 | 141.7 | 109.2 | -5.8 | 112.3 | D514 R521 T522 | D514-R518 WeakPolarHBondContact O-CB 3.32Å; D514-R518 PolarHBondContact O-N 3.02Å; R518-R521 PolarHBondContact O-N 3.43Å; R518-T522 PolarHBondContact O-N 3.04Å; R518-T522 PolarHBondContact O-OG1 3.28Å |
| 519 | S | 52.3 | Low | 48.3 | Very low | 71 Ų | 71 | 122.1 Ų | 122.1 | 50% | 0.497 | 65% | 0.653 | S | S | . | * | H | α-helix | trans | -66.2 | -36.7 | 179.4 | 173.2 | 0 | 0 | 0 | 0 | 113 | L515 I516 T522 | L515-S519 WeakPolarHBondContact O-CB 3.49Å; L515-S519 PolarHBondContact O-N 3.35Å; I516-S519 CarbonylContact O-C 3.59Å; I516-S519 WeakPolarHBondContact O-CA 3.3Å; I516-S519 WeakPolarHBondContact O-CB 3.49Å; I516-S519 PolarHBondContact O-N 2.89Å; S519-T522 PolarHBondContact O-OG1 3.4Å |
| 520 | K | 50.6 | Low | 47.6 | Very low | 142 Ų | 142 | 127.6 Ų | 127.6 | 62% | 0.617 | 67% | 0.669 | S | S | * | * | H | α-helix | trans | -68.4 | -40.7 | 176.3 | -65.1 | -57.7 | -178.9 | -178.7 | 0 | 112.1 | I516 T522 C523 | I516-K520 WeakPolarHBondContact O-CG 3.3Å; I516-K520 PolarHBondContact O-N 3.48Å; K520-T522 VanDerWaalsContact C-N 3.29Å; K520-T522 PolarHBondContact O-N 3.35Å; K520-C523 PolarHBondContact O-N 2.98Å |
| 521 | R | 49.5 | Very low | 46.6 | Very low | 166 Ų | 166 | 132 Ų | 132 | 63% | 0.626 | 67% | 0.672 | S | S | * | * | H | α-helix | trans | -67.4 | -20.6 | 179 | -80.7 | 179.1 | -84.8 | 175.8 | -16.2 | 114.9 | D517 R518 | D517-R521 PolarHBondContact O-N 3.2Å; D517-R521 PolarHBondContact O-NE 2.9Å; D517-R521 IonicContact OD2-CZ 2.71Å; D517-R521 IonicContact OD2-NE 3.42Å; D517-R521 IonicContact OD2-NH2 3.59Å; D517-R521 PolarHBondContact OD2-NH2 2.91Å; R518-R521 PolarHBondContact O-N 3.43Å |
| 522 | T | 46.3 | Very low | 45.6 | Very low | 118 Ų | 118 | 134 Ų | 134 | 72% | 0.724 | 68% | 0.679 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -91.1 | -6.1 | 177.8 | 48.8 | 0 | 0 | 0 | 0 | 114.7 | R518 S519 K520 | R518-T522 PolarHBondContact O-N 3.04Å; R518-T522 PolarHBondContact O-OG1 3.28Å; S519-T522 PolarHBondContact O-OG1 3.4Å; K520-T522 VanDerWaalsContact C-N 3.29Å; K520-T522 PolarHBondContact O-N 3.35Å |
| 523 | C | 40.5 | Very low | 44.5 | Very low | 111 Ų | 111 | 135.1 Ų | 135.1 | 75% | 0.75 | 69% | 0.686 | S | S | * | * | S | Bend | trans | -94.2 | -6.9 | -178.7 | -157.5 | 0 | 0 | 0 | 0 | 114.1 | K520 | K520-C523 PolarHBondContact O-N 2.98Š|
| 524 | S | 46.1 | Very low | 43.8 | Very low | 100 Ų | 100 | 137 Ų | 137 | 70% | 0.699 | 70% | 0.696 | S | S | * | * | S | Bend | trans | -123.6 | 47.1 | -170.9 | -57.7 | 0 | 0 | 0 | 0 | 114.1 | | |
| 525 | Q | 44.9 | Very low | 42.5 | Very low | 167 Ų | 167 | 137.6 Ų | 137.6 | 78% | 0.78 | 71% | 0.708 | S | S | * | * | | | trans | -138.6 | 42.1 | -177.8 | -156.1 | 75.8 | 48.3 | 0 | 0 | 114.9 | | |
| 526 | R | 30.2 | Very low | 40.9 | Very low | 228 Ų | 228 | 137 Ų | 137 | 86% | 0.86 | 72% | 0.719 | S | S | * | * | | | trans | -148.7 | 126.3 | 162.2 | -66 | -65.5 | -165.6 | 169.6 | 4.7 | 107.1 | | |
| 527 | H | 31.4 | Very low | 39.7 | Very low | 164 Ų | 164 | 140 Ų | 140 | 76% | 0.759 | 74% | 0.736 | S | S | * | * | | | cis | -127.9 | 142.1 | 9.2 | -77 | -118.1 | 0 | 0 | 0 | 112.3 | | |
| 528 | S | 31.6 | Very low | 39.1 | Very low | 119 Ų | 119 | 141.5 Ų | 141.5 | 83% | 0.832 | 75% | 0.75 | S | S | * | * | | | trans | -158.7 | 141.3 | 134.7 | 57.8 | 0 | 0 | 0 | 0 | 108.4 | | |
| 529 | D | 32.6 | Very low | 37.8 | Very low | 144 Ų | 144 | 139 Ų | 139 | 77% | 0.77 | 76% | 0.756 | S | S | * | * | | | trans | -100.4 | 119.1 | -169.2 | -69.2 | -81.6 | 0 | 0 | 0 | 112.6 | | |
| 530 | Q | 31.1 | Very low | 37.2 | Very low | 203 Ų | 203 | 140.9 Ų | 140.9 | 95% | 0.949 | 77% | 0.767 | S | S | * | * | | | trans | -157.3 | 157.7 | 141.5 | -120.2 | 175.5 | 97.8 | 0 | 0 | 112.1 | | |
| 531 | R | 33.7 | Very low | 36.9 | Very low | 194 Ų | 194 | 140.2 Ų | 140.2 | 73% | 0.732 | 78% | 0.777 | S | S | * | * | | | trans | -134.6 | 130.3 | -162.2 | 173.8 | -168.9 | 178.2 | -161.7 | 2.2 | 111.7 | N533 | R531-N533 PolarHBondContact NE-OD1 2.97Å; R531-N533 PolarHBondContact NH2-OD1 2.89Å |
| 532 | P | 35.5 | Very low | 36 | Very low | 121 Ų | 121 | 139.1 Ų | 139.1 | 79% | 0.786 | 79% | 0.788 | S | S | * | * | | | trans | -108.7 | 154.7 | 145.3 | -3.8 | 24.7 | 0 | 0 | 0 | 111.6 | | |
| 533 | N | 30.8 | Very low | 35.2 | Very low | 118 Ų | 118 | 139.2 Ų | 139.2 | 63% | 0.631 | 79% | 0.794 | S | S | * | * | | | trans | -102.2 | 168.9 | 165.7 | -117.6 | 48.5 | 0 | 0 | 0 | 109.1 | R531 | R531-N533 PolarHBondContact NE-OD1 2.97Å; R531-N533 PolarHBondContact NH2-OD1 2.89Å |
| 534 | P | 41.9 | Very low | 34.8 | Very low | 113 Ų | 113 | 146.2 Ų | 146.2 | 73% | 0.734 | 80% | 0.804 | S | S | * | * | | | trans | -83.1 | 164.8 | -157.2 | 32.8 | -37.8 | 0 | 0 | 0 | 115.8 | | |
| 535 | S | 26.7 | Very low | 34.2 | Very low | 121 Ų | 121 | 146.3 Ų | 146.3 | 85% | 0.846 | 81% | 0.812 | S | S | * | * | | | trans | -153 | 161.6 | 167 | -76.4 | 0 | 0 | 0 | 0 | 110.8 | | |
| 536 | A | 29.5 | Very low | 33.5 | Very low | 99 Ų | 99 | 141.9 Ų | 141.9 | 82% | 0.818 | 81% | 0.81 | S | S | * | * | | | trans | 75.8 | 112.1 | 177.7 | 0 | 0 | 0 | 0 | 0 | 118.3 | | |
| 537 | L | 34.2 | Very low | 33.6 | Very low | 168 Ų | 168 | 137.2 Ų | 137.2 | 88% | 0.88 | 81% | 0.813 | S | S | * | * | | | trans | -86.7 | 177.6 | 148.6 | -121.2 | 74.2 | 0 | 0 | 0 | 108.8 | | |
| 538 | P | 42 | Very low | 33.6 | Very low | 116 Ų | 116 | 134.1 Ų | 134.1 | 75% | 0.753 | 82% | 0.816 | S | S | * | * | | | trans | -84.5 | 168.5 | -159.8 | 35.4 | -38.7 | 0 | 0 | 0 | 115 | | |
| 539 | T | 33.5 | Very low | 33.4 | Very low | 135 Ų | 135 | 134.1 Ų | 134.1 | 83% | 0.828 | 82% | 0.815 | S | S | * | * | | | trans | -117.2 | 147.2 | 168.8 | 42.6 | 0 | 0 | 0 | 0 | 111.2 | | |
| 540 | P | 39.6 | Very low | 33.3 | Very low | 112 Ų | 112 | 135.8 Ų | 135.8 | 73% | 0.727 | 82% | 0.818 | S | S | * | * | | | trans | -90.5 | 161.2 | -176.8 | 36.5 | -36.1 | 0 | 0 | 0 | 113.3 | | |
| 541 | P | 42.6 | Very low | 34.7 | Very low | 127 Ų | 127 | 130.9 Ų | 130.9 | 83% | 0.825 | 80% | 0.804 | S | S | * | * | | | trans | -82.4 | 149.1 | 171.3 | 34.4 | -34.2 | 0 | 0 | 0 | 112.3 | | |
| 542 | V | 31.5 | Very low | 34.5 | Very low | 144 Ų | 144 | 129.2 Ų | 129.2 | 87% | 0.873 | 80% | 0.804 | S | S | * | * | | | trans | -130.5 | 150.3 | 167.4 | 179.1 | 0 | 0 | 0 | 0 | 109.3 | | |
| 543 | S | 30.3 | Very low | 34.4 | Very low | 120 Ų | 120 | 130.4 Ų | 130.4 | 84% | 0.839 | 80% | 0.803 | S | S | * | * | | | trans | -66.1 | 154.3 | -161 | -56.2 | 0 | 0 | 0 | 0 | 116.8 | | |
| 544 | R | 30.8 | Very low | 34.3 | Very low | 257 Ų | 257 | 127.5 Ų | 127.5 | 97% | 0.97 | 80% | 0.801 | S | S | * | * | | | trans | -88.1 | 118.4 | 173.7 | 173.4 | -176.1 | 178.7 | 164.6 | -0.7 | 111.7 | | |
| 545 | A | 34.4 | Very low | 33.8 | Very low | 103 Ų | 103 | 132.6 Ų | 132.6 | 85% | 0.851 | 81% | 0.807 | S | S | * | * | | | trans | -149.5 | 150.7 | 153.8 | 0 | 0 | 0 | 0 | 0 | 108 | | |
| 546 | G | 30.3 | Very low | 33.9 | Very low | 73 Ų | 73 | 131.4 Ų | 131.4 | 75% | 0.753 | 80% | 0.799 | S | S | * | * | | | trans | -166.9 | 146.8 | -179.1 | 0 | 0 | 0 | 0 | 0 | 115 | | |
| 547 | S | 31.4 | Very low | 33.8 | Very low | 130 Ų | 130 | 134.4 Ų | 134.4 | 91% | 0.909 | 80% | 0.799 | S | S | * | * | | | trans | -166.6 | 168.1 | 153.5 | -83 | 0 | 0 | 0 | 0 | 109.6 | | |
| 548 | A | 32.3 | Very low | 33.7 | Very low | 100 Ų | 100 | 133.9 Ų | 133.9 | 83% | 0.826 | 80% | 0.797 | S | S | * | * | | | trans | -38.1 | 153.6 | -178.5 | 0 | 0 | 0 | 0 | 0 | 116.1 | | |
| 549 | S | 27.3 | Very low | 34.5 | Very low | 118 Ų | 118 | 133.8 Ų | 133.8 | 83% | 0.825 | 80% | 0.796 | S | S | * | * | | | cis | -154.4 | 172.3 | 45.5 | 55.4 | 0 | 0 | 0 | 0 | 117.4 | | |
| 550 | H | 31 | Very low | 35.1 | Very low | 180 Ų | 180 | 132.4 Ų | 132.4 | 83% | 0.833 | 79% | 0.79 | S | S | * | * | | | trans | -95.9 | 176.9 | 178 | -79.9 | -67.9 | 0 | 0 | 0 | 111.9 | | |
| 551 | P | 58.8 | Low | 34.6 | Very low | 100 Ų | 100 | 135.9 Ų | 135.9 | 65% | 0.649 | 80% | 0.796 | S | S | * | * | | | cis | -142.5 | -172.3 | -30.4 | 34.4 | -13.8 | 0 | 0 | 0 | 115.5 | | |
| 552 | H | 29.6 | Very low | 34 | Very low | 159 Ų | 159 | 134 Ų | 134 | 74% | 0.736 | 79% | 0.786 | S | S | * | * | | | trans | 104.6 | 132.7 | 131.8 | -115.5 | -75.5 | 0 | 0 | 0 | 122.8 | | |
| 553 | L | 33.6 | Very low | 33.9 | Very low | 145 Ų | 145 | 132.4 Ų | 132.4 | 76% | 0.759 | 78% | 0.781 | S | S | * | * | | | trans | 60.7 | 149.6 | 166.1 | -70.3 | 133 | 0 | 0 | 0 | 118.3 | Y555 | L553-Y555 HydrophobicContact CD2-CE2 4.25Š|
| 554 | G | 29 | Very low | 33.8 | Very low | 57 Ų | 57 | 134 Ų | 134 | 59% | 0.588 | 78% | 0.779 | S | S | * | * | | | cis | 158.8 | 145.2 | -10.2 | 0 | 0 | 0 | 0 | 0 | 113.1 | | |
| 555 | Y | 30.5 | Very low | 33.8 | Very low | 221 Ų | 221 | 127 Ų | 127 | 87% | 0.867 | 77% | 0.766 | S | S | * | * | | | trans | 68.2 | 159.8 | 175.6 | -52.5 | -80.1 | 0 | 0 | 0 | 116.7 | L553 | L553-Y555 HydrophobicContact CD2-CE2 4.25Š|
| 556 | S | 29.2 | Very low | 33.7 | Very low | 96 Ų | 96 | 131 Ų | 131 | 67% | 0.671 | 77% | 0.767 | S | S | * | * | | | cis | -171.1 | 178.4 | -33.8 | -163.6 | 0 | 0 | 0 | 0 | 110.6 | | |
| 557 | I | 27.7 | Very low | 33.5 | Very low | 161 Ų | 161 | 131.4 Ų | 131.4 | 83% | 0.826 | 76% | 0.763 | S | S | * | * | | | trans | 82.5 | 154.6 | 156.7 | -64.4 | 155 | 0 | 0 | 0 | 120.2 | | |
| 558 | L | 32 | Very low | 33.5 | Very low | 158 Ų | 158 | 131.6 Ų | 131.6 | 83% | 0.827 | 75% | 0.753 | S | S | * | * | | | trans | -135.2 | 176.8 | -178.2 | -86.2 | 167.1 | 0 | 0 | 0 | 109.5 | | |
| 559 | P | 59.7 | Low | 33.9 | Very low | 114 Ų | 114 | 136.1 Ų | 136.1 | 74% | 0.74 | 76% | 0.757 | S | S | * | * | | | cis | -113.3 | -96.4 | -22.4 | 24.9 | -1.4 | 0 | 0 | 0 | 111.4 | | |
| 560 | P | 45.9 | Very low | 33.9 | Very low | 106 Ų | 106 | 140 Ų | 140 | 69% | 0.688 | 75% | 0.753 | S | S | * | * | | | cis | -124.1 | -179.3 | -8.2 | 44.2 | -28.6 | 0 | 0 | 0 | 116.4 | | |
| 561 | E | 28.1 | Very low | 33.8 | Very low | 184 Ų | 184 | 136.1 Ų | 136.1 | 86% | 0.86 | 75% | 0.747 | S | S | * | * | | | trans | 62.8 | 150.5 | 154.9 | -78.8 | -162.1 | 170.3 | 0 | 0 | 122.9 | | |
| 562 | S | 30.8 | Very low | 33.1 | Very low | 87 Ų | 87 | 136.7 Ų | 136.7 | 61% | 0.608 | 75% | 0.75 | S | S | * | * | | | cis | -157.9 | 149.8 | -8.2 | 46.6 | 0 | 0 | 0 | 0 | 114.5 | | |
| 563 | S | 30.3 | Very low | 33 | Very low | 111 Ų | 111 | 134.5 Ų | 134.5 | 78% | 0.776 | 75% | 0.753 | S | S | * | * | | | trans | 65.4 | 153.8 | 155.1 | 77.3 | 0 | 0 | 0 | 0 | 119.7 | | |
| 564 | L | 28 | Very low | 32.9 | Very low | 153 Ų | 153 | 132 Ų | 132 | 80% | 0.801 | 75% | 0.753 | S | S | * | * | | | cis | -144.5 | 156.9 | -0.8 | -155.4 | 131 | 0 | 0 | 0 | 112.4 | | |
| 565 | T | 31 | Very low | 32.9 | Very low | 112 Ų | 112 | 137.7 Ų | 137.7 | 69% | 0.687 | 77% | 0.769 | S | S | * | * | | | trans | -33.2 | 154.4 | 169.2 | -14.8 | 0 | 0 | 0 | 0 | 115.3 | | |
| 566 | Q | 30.8 | Very low | 32.9 | Very low | 186 Ų | 186 | 135.5 Ų | 135.5 | 87% | 0.869 | 77% | 0.767 | S | S | * | * | | | cis | -177 | 153.3 | 45.1 | -174.6 | -174.3 | 114 | 0 | 0 | 109.7 | | |
| 567 | A | 27.6 | Very low | 33.7 | Very low | 81 Ų | 81 | 136 Ų | 136 | 67% | 0.669 | 77% | 0.767 | S | S | * | * | | | cis | -159.1 | 132.1 | -26.4 | 0 | 0 | 0 | 0 | 0 | 107.7 | | |
| 568 | L | 29.6 | Very low | 33.7 | Very low | 135 Ų | 135 | 133.3 Ų | 133.3 | 71% | 0.707 | 76% | 0.763 | S | S | * | * | | | | 67.7 | 104.3 | 95 | -156.8 | 78.7 | 0 | 0 | 0 | 117.1 | R570 | L568-R570 HydrophobicContact CD1-CG 4.26Å; L568-R570 HydrophobicContact CD2-CG 4.43Å; L568-R570 HydrophobicContact CG-CG 4.29Å |
| 569 | Q | 42.1 | Very low | 33.6 | Very low | 194 Ų | 194 | 132 Ų | 132 | 91% | 0.907 | 77% | 0.766 | S | S | * | * | | | trans | -93 | 138.9 | 148.6 | -81.1 | -104.9 | -41.9 | 0 | 0 | 109.1 | | |
| 570 | R | 27.2 | Very low | 32.2 | Very low | 199 Ų | 199 | 130.5 Ų | 130.5 | 75% | 0.751 | 77% | 0.771 | S | S | * | * | | | trans | -147.9 | 122.9 | 166.7 | -93.4 | -165 | 163.2 | 130.8 | -2.8 | 108.7 | L568 | L568-R570 HydrophobicContact CD1-CG 4.26Å; L568-R570 HydrophobicContact CD2-CG 4.43Å; L568-R570 HydrophobicContact CG-CG 4.29Å |
| 571 | S | 28.7 | Very low | 31.4 | Very low | 99 Ų | 99 | 131.5 Ų | 131.5 | 69% | 0.692 | 78% | 0.78 | S | S | * | * | | | | 91 | 168.8 | 71.8 | -62.5 | 0 | 0 | 0 | 0 | 112.1 | | |
| 572 | P | 44.1 | Very low | 31.6 | Very low | 112 Ų | 112 | 127 Ų | 127 | 73% | 0.727 | 77% | 0.774 | S | S | * | * | | | | -139 | 169.7 | -58.8 | 41.5 | -26.7 | 0 | 0 | 0 | 115.2 | | |
| 573 | S | 28.2 | Very low | 31.6 | Very low | 114 Ų | 114 | 129.1 Ų | 129.1 | 80% | 0.797 | 78% | 0.784 | S | S | * | * | | | trans | 49.1 | 125.8 | 141.5 | -59.3 | 0 | 0 | 0 | 0 | 124.7 | | |
| 574 | A | 29.6 | Very low | 32 | Very low | 91 Ų | 91 | 129.6 Ų | 129.6 | 75% | 0.752 | 79% | 0.786 | S | S | * | * | | | trans | 78.7 | 127.7 | 132.4 | 0 | 0 | 0 | 0 | 0 | 122.1 | | |
| 575 | L | 30.9 | Very low | 33 | Very low | 177 Ų | 177 | 127.5 Ų | 127.5 | 93% | 0.927 | 78% | 0.782 | S | S | * | * | | | | -166 | 175.8 | 103.2 | -99.3 | 167.9 | 0 | 0 | 0 | 113 | | |
| 576 | H | 29.9 | Very low | 33.1 | Very low | 176 Ų | 176 | 127.7 Ų | 127.7 | 82% | 0.815 | 79% | 0.787 | S | S | * | * | | | trans | -88.1 | -173.6 | -172.6 | -125.4 | -136.4 | 0 | 0 | 0 | 112.2 | | |
| 577 | P | 45.8 | Very low | 33.3 | Very low | 105 Ų | 105 | 129.9 Ų | 129.9 | 68% | 0.682 | 79% | 0.788 | S | S | * | * | | | cis | -140.5 | -178.2 | -7.4 | 43.8 | -26.3 | 0 | 0 | 0 | 116.7 | | |
| 578 | S | 27.7 | Very low | 33.7 | Very low | 105 Ų | 105 | 132.6 Ų | 132.6 | 73% | 0.734 | 80% | 0.796 | S | S | * | * | | | trans | 62.8 | 132.5 | 139 | -155.8 | 0 | 0 | 0 | 0 | 124.9 | | |
| 579 | C | 29.9 | Very low | 33.8 | Very low | 131 Ų | 131 | 129 Ų | 129 | 89% | 0.885 | 79% | 0.792 | S | S | * | * | | | trans | 2.8 | 135.4 | 154 | -59.5 | 0 | 0 | 0 | 0 | 122.9 | | |
| 580 | G | 29.4 | Very low | 34 | Very low | 83 Ų | 83 | 126.8 Ų | 126.8 | 86% | 0.856 | 78% | 0.783 | S | S | * | * | | | trans | -164.3 | 139.2 | 157.2 | 0 | 0 | 0 | 0 | 0 | 112.4 | | |
| 581 | S | 30.9 | Very low | 35.2 | Very low | 126 Ų | 126 | 122.7 Ų | 122.7 | 88% | 0.881 | 78% | 0.782 | S | S | * | * | | | trans | -112.1 | 128.2 | 178.3 | 177 | 0 | 0 | 0 | 0 | 110.8 | | |
| 582 | A | 30.8 | Very low | 35.6 | Very low | 89 Ų | 89 | 124.1 Ų | 124.1 | 74% | 0.736 | 78% | 0.782 | S | S | * | * | | | trans | -167.9 | 119.3 | 160.2 | 0 | 0 | 0 | 0 | 0 | 113.8 | | |
| 583 | T | 31.2 | Very low | 35.2 | Very low | 132 Ų | 132 | 123.5 Ų | 123.5 | 81% | 0.81 | 78% | 0.781 | S | S | * | * | | | | 44.5 | 105.5 | 123.5 | -43.9 | 0 | 0 | 0 | 0 | 120.7 | | |
| 584 | C | 38.1 | Very low | 35.5 | Very low | 121 Ų | 121 | 124.5 Ų | 124.5 | 82% | 0.818 | 78% | 0.782 | S | S | * | * | | | trans | -71.3 | 153 | 148.4 | -48.8 | 0 | 0 | 0 | 0 | 109.6 | | |
| 585 | P | 50.8 | Low | 35.7 | Very low | 110 Ų | 110 | 124.2 Ų | 124.2 | 71% | 0.714 | 78% | 0.779 | S | S | * | * | | | | -156.7 | -176.2 | 84.4 | 41.9 | -22.8 | 0 | 0 | 0 | 117.2 | | |
| 586 | S | 32.4 | Very low | 35.6 | Very low | 115 Ų | 115 | 120.7 Ų | 120.7 | 80% | 0.804 | 77% | 0.77 | S | S | * | * | | | trans | 81.5 | 152.7 | 155.5 | 81 | 0 | 0 | 0 | 0 | 119.3 | | |
| 587 | R | 35.3 | Very low | 35.7 | Very low | 232 Ų | 232 | 118.5 Ų | 118.5 | 88% | 0.875 | 76% | 0.764 | S | S | * | * | | | cis | -168.6 | 157.2 | -31.5 | -179.2 | 167.1 | -175.8 | -102.5 | 3.6 | 108.8 | | |
| 588 | T | 36.1 | Very low | 34.9 | Very low | 138 Ų | 138 | 124.4 Ų | 124.4 | 85% | 0.847 | 77% | 0.773 | S | S | * | * | | | trans | 114.8 | 126.1 | 165.5 | -50.7 | 0 | 0 | 0 | 0 | 113.7 | | |
| 589 | G | 30.2 | Very low | 35.4 | Very low | 60 Ų | 60 | 124.9 Ų | 124.9 | 62% | 0.619 | 78% | 0.776 | S | S | * | * | | | cis | 169 | 95.8 | -13.6 | 0 | 0 | 0 | 0 | 0 | 117.8 | | |
| 590 | M | 47 | Very low | 35.3 | Very low | 148 Ų | 148 | 123.7 Ų | 123.7 | 73% | 0.729 | 77% | 0.769 | S | S | * | * | | | trans | 63.8 | 172.7 | 151.6 | -47.1 | -44.9 | -63.7 | 0 | 0 | 118.4 | D592 | M590-D592 VanDerWaalsContact CE-CG 3.49Å; M590-D592 WeakPolarHBondContact CE-OD1 3.35Å; M590-D592 WeakPolarHBondContact CE-OD2 3.44Å |
| 591 | P | 52.8 | Low | 35.4 | Very low | 112 Ų | 112 | 131.4 Ų | 131.4 | 73% | 0.727 | 77% | 0.773 | S | S | * | * | | | cis | -104.9 | 158.1 | -14.7 | 4 | 20.8 | 0 | 0 | 0 | 112.8 | | |
| 592 | D | 35.8 | Very low | 35.3 | Very low | 130 Ų | 130 | 131.3 Ų | 131.3 | 70% | 0.695 | 77% | 0.766 | S | S | * | * | | | | 64.1 | 144.2 | 74.9 | -50.8 | -48 | 0 | 0 | 0 | 114.5 | M590 | M590-D592 VanDerWaalsContact CE-CG 3.49Å; M590-D592 WeakPolarHBondContact CE-OD1 3.35Å; M590-D592 WeakPolarHBondContact CE-OD2 3.44Å |
| 593 | S | 36.5 | Very low | 35.2 | Very low | 99 Ų | 99 | 131.6 Ų | 131.6 | 69% | 0.692 | 76% | 0.763 | S | S | * | * | | | cis | -157.5 | 155.2 | 25.8 | 71.1 | 0 | 0 | 0 | 0 | 115.2 | | |
| 594 | T | 34.4 | Very low | 35.2 | Very low | 135 Ų | 135 | 131.5 Ų | 131.5 | 83% | 0.828 | 76% | 0.762 | S | S | * | * | | | trans | 65.7 | 128.1 | 139.3 | -58.1 | 0 | 0 | 0 | 0 | 119 | | |
| 595 | A | 33.4 | Very low | 35.8 | Very low | 84 Ų | 84 | 131 Ų | 131 | 69% | 0.694 | 76% | 0.758 | S | S | * | * | | | cis | -161.2 | 168.7 | 8.5 | 0 | 0 | 0 | 0 | 0 | 113.8 | | |
| 596 | S | 29.1 | Very low | 34.8 | Very low | 104 Ų | 104 | 131.4 Ų | 131.4 | 73% | 0.727 | 76% | 0.763 | S | S | * | * | | | trans | 64.4 | 131.4 | 144 | -144.8 | 0 | 0 | 0 | 0 | 119.6 | | |
| 597 | N | 31.8 | Very low | 35 | Very low | 130 Ų | 130 | 134 Ų | 134 | 70% | 0.695 | 77% | 0.767 | S | S | * | * | | | cis | -159.1 | 162.2 | -9.2 | -134.7 | -65.8 | 0 | 0 | 0 | 112.2 | | |
| 598 | R | 30.7 | Very low | 35.4 | Very low | 229 Ų | 229 | 128.3 Ų | 128.3 | 86% | 0.864 | 76% | 0.76 | S | S | * | * | | | trans | 26.2 | 113.3 | 159.8 | -82.9 | 169.5 | 173.1 | -90.9 | -0.3 | 120.6 | | |
| 599 | S | 36.5 | Very low | 35.2 | Very low | 114 Ų | 114 | 127.8 Ų | 127.8 | 80% | 0.797 | 76% | 0.756 | S | S | * | * | | | trans | -91.3 | -175.5 | 151.6 | 59 | 0 | 0 | 0 | 0 | 112.1 | | |
| 600 | S | 29 | Very low | 35.2 | Very low | 106 Ų | 106 | 129.9 Ų | 129.9 | 74% | 0.741 | 76% | 0.761 | S | S | * | * | | | trans | 86 | 136.2 | 173.7 | -160.4 | 0 | 0 | 0 | 0 | 118.3 | | |
| 601 | R | 30.3 | Very low | 34.3 | Very low | 246 Ų | 246 | 129.9 Ų | 129.9 | 93% | 0.928 | 76% | 0.764 | S | S | * | * | | | trans | -135.9 | 134.4 | 168.9 | -80.6 | -174.7 | 172.3 | -172.9 | -2.4 | 108.3 | | |
| 602 | V | 29.5 | Very low | 33.4 | Very low | 123 Ų | 123 | 131.2 Ų | 131.2 | 75% | 0.745 | 77% | 0.77 | S | S | * | * | | | trans | -139.7 | 131.5 | 174.9 | 174.2 | 0 | 0 | 0 | 0 | 109.8 | | |
| 603 | S | 29.1 | Very low | 33.4 | Very low | 95 Ų | 95 | 136.2 Ų | 136.2 | 66% | 0.664 | 78% | 0.779 | S | S | * | * | | | trans | 43.8 | 122.4 | 157.1 | -57.4 | 0 | 0 | 0 | 0 | 123.3 | | |
| 604 | T | 30.4 | Very low | 33.2 | Very low | 131 Ų | 131 | 138.5 Ų | 138.5 | 80% | 0.804 | 79% | 0.789 | S | S | * | * | | | trans | 70.2 | 174.4 | 137.7 | 62.3 | 0 | 0 | 0 | 0 | 118.8 | | |
| 605 | P | 50.4 | Low | 33.5 | Very low | 111 Ų | 111 | 139.8 Ų | 139.8 | 72% | 0.721 | 78% | 0.783 | S | S | * | * | | | | -133.8 | 170.9 | -60 | 38.8 | -25.2 | 0 | 0 | 0 | 113.6 | | |
| 606 | S | 30 | Very low | 33.6 | Very low | 117 Ų | 117 | 142.6 Ų | 142.6 | 82% | 0.818 | 78% | 0.782 | S | S | * | * | | | trans | 172.1 | 154.8 | 140.2 | 41.4 | 0 | 0 | 0 | 0 | 114.1 | | |
| 607 | L | 36.7 | Very low | 34 | Very low | 170 Ų | 170 | 145 Ų | 145 | 89% | 0.89 | 79% | 0.786 | S | S | * | * | | | trans | -121.3 | 159.7 | 157.7 | -76.1 | 172.7 | 0 | 0 | 0 | 108 | | |
| 608 | P | 44.4 | Very low | 34.1 | Very low | 112 Ų | 112 | 146.1 Ų | 146.1 | 73% | 0.727 | 79% | 0.79 | S | S | * | * | | | trans | -135 | 135.3 | 141.5 | 34.7 | -21.9 | 0 | 0 | 0 | 114.7 | | |
| 609 | V | 30.7 | Very low | 34.1 | Very low | 127 Ų | 127 | 140.2 Ų | 140.2 | 77% | 0.77 | 78% | 0.784 | S | S | * | * | | | trans | 60.6 | 111 | 134.9 | -176.3 | 0 | 0 | 0 | 0 | 119.4 | | |
| 610 | S | 30.5 | Very low | 34.1 | Very low | 104 Ų | 104 | 140.3 Ų | 140.3 | 73% | 0.727 | 78% | 0.782 | S | S | * | * | | | | 37.6 | 151.8 | 120.6 | -38.1 | 0 | 0 | 0 | 0 | 121 | | |
| 611 | L | 29 | Very low | 34.2 | Very low | 149 Ų | 149 | 141.3 Ų | 141.3 | 78% | 0.78 | 79% | 0.788 | S | S | * | * | | | cis | -156.6 | 137.7 | 9.2 | -159.9 | 75.9 | 0 | 0 | 0 | 107.7 | | |
| 612 | T | 34 | Very low | 34.2 | Very low | 139 Ų | 139 | 133.9 Ų | 133.9 | 85% | 0.853 | 78% | 0.779 | S | S | * | * | | | | 171.5 | 173.5 | 105 | 36.8 | 0 | 0 | 0 | 0 | 110.5 | | |
| 613 | R | 35.4 | Very low | 34.5 | Very low | 235 Ų | 235 | 136.1 Ų | 136.1 | 89% | 0.887 | 79% | 0.785 | S | S | * | * | | | trans | -128.2 | 127.7 | -157.5 | 158.7 | -167.3 | 176.2 | 167.1 | -0.6 | 111.8 | | |
| 614 | T | 32.8 | Very low | 34.5 | Very low | 148 Ų | 148 | 137.3 Ų | 137.3 | 91% | 0.908 | 79% | 0.794 | S | S | * | * | | | trans | -156 | 158.5 | 142.6 | 9.8 | 0 | 0 | 0 | 0 | 111.9 | | |
| 615 | K | 40.3 | Very low | 34.8 | Very low | 162 Ų | 162 | 139.4 Ų | 139.4 | 70% | 0.704 | 80% | 0.796 | S | S | * | * | | | trans | -83 | 159.7 | -164.9 | -69 | 173.1 | 133.5 | -129.3 | 0 | 114.7 | | |
| 616 | E | 35.4 | Very low | 34 | Very low | 143 Ų | 143 | 139.7 Ų | 139.7 | 67% | 0.668 | 80% | 0.801 | S | S | * | * | | | trans | 60 | 142.7 | 143.7 | -72.5 | 153.7 | -134 | 0 | 0 | 117.6 | | |
| 617 | L | 36.3 | Very low | 34.2 | Very low | 154 Ų | 154 | 138.8 Ų | 138.8 | 81% | 0.806 | 80% | 0.801 | S | S | * | * | | | cis | -144.7 | 174.5 | 43.7 | -86 | 168.3 | 0 | 0 | 0 | 114.2 | | |
| 618 | I | 35.3 | Very low | 33.9 | Very low | 153 Ų | 153 | 133.5 Ų | 133.5 | 79% | 0.785 | 79% | 0.787 | S | S | * | * | | | trans | -68 | 141.3 | 171.4 | -59.4 | 92.8 | 0 | 0 | 0 | 111 | | |
| 619 | S | 30.4 | Very low | 33.9 | Very low | 105 Ų | 105 | 134.5 Ų | 134.5 | 73% | 0.734 | 79% | 0.794 | S | S | * | * | | | trans | -133.8 | 124 | 163.2 | -176.4 | 0 | 0 | 0 | 0 | 109.8 | | |
| 620 | P | 37.1 | Very low | 34.2 | Very low | 117 Ų | 117 | 135 Ų | 135 | 76% | 0.76 | 79% | 0.788 | S | S | * | * | P | Polyproline II helix | trans | -76.3 | 136.6 | -177.6 | 30.3 | -33.9 | 0 | 0 | 0 | 112 | A622 | P620-A622 PolarHBondContact O-N 3.12Š|
| 621 | C | 30.6 | Very low | 35 | Very low | 127 Ų | 127 | 138 Ų | 138 | 86% | 0.858 | 80% | 0.796 | S | S | * | * | P | Polyproline II helix | trans | -69.9 | 117.4 | -176.6 | -55.7 | 0 | 0 | 0 | 0 | 112.7 | | |
| 622 | A | 30.8 | Very low | 36.1 | Very low | 90 Ų | 90 | 138.7 Ų | 138.7 | 74% | 0.744 | 79% | 0.793 | S | S | * | * | P | Polyproline II helix | trans | -77.7 | 129.6 | 156.5 | 0 | 0 | 0 | 0 | 0 | 109.4 | P620 S624 | P620-A622 PolarHBondContact O-N 3.12Å; A622-S624 PolarHBondContact O-N 3.46Å; A622-S624 VanDerWaalsContact O-N 3.13Å |
| 623 | L | 34.3 | Very low | 37.2 | Very low | 169 Ų | 169 | 141.6 Ų | 141.6 | 89% | 0.885 | 79% | 0.793 | S | S | * | * | | | trans | -67.2 | 110.4 | -176.8 | -72.7 | 167 | 0 | 0 | 0 | 111.3 | M625 | L623-M625 PolarHBondContact O-N 3.42Š|
| 624 | S | 29 | Very low | 37.8 | Very low | 120 Ų | 120 | 136.4 Ų | 136.4 | 84% | 0.839 | 79% | 0.79 | S | S | * | * | | | trans | -73.2 | 109.3 | 172.7 | -62.2 | 0 | 0 | 0 | 0 | 110.8 | A622 S626 | A622-S624 PolarHBondContact O-N 3.46Å; A622-S624 VanDerWaalsContact O-N 3.13Å; S624-S626 PolarHBondContact O-N 2.98Å |
| 625 | M | 38.2 | Very low | 38.5 | Very low | 175 Ų | 175 | 138.3 Ų | 138.3 | 86% | 0.862 | 79% | 0.786 | S | S | * | * | | | trans | -72.3 | 124.3 | 168.7 | -72.5 | -94.2 | 67.5 | 0 | 0 | 109.9 | L623 A627 | L623-M625 PolarHBondContact O-N 3.42Å; M625-A627 PolarHBondContact O-N 3.05Å |
| 626 | S | 33.1 | Very low | 39.1 | Very low | 118 Ų | 118 | 138.6 Ų | 138.6 | 83% | 0.825 | 79% | 0.789 | S | S | * | * | | | trans | -66.7 | 114.5 | -176.6 | -176.2 | 0 | 0 | 0 | 0 | 111.9 | S624 | S624-S626 PolarHBondContact O-N 2.98Š|
| 627 | A | 34.7 | Very low | 39.6 | Very low | 97 Ų | 97 | 141.5 Ų | 141.5 | 80% | 0.802 | 80% | 0.796 | S | S | * | * | | | trans | -90.9 | 103.6 | 171 | 0 | 0 | 0 | 0 | 0 | 110 | M625 | M625-A627 PolarHBondContact O-N 3.05Š|
| 628 | G | 29.7 | Very low | 40.3 | Very low | 59 Ų | 59 | 142.4 Ų | 142.4 | 61% | 0.608 | 79% | 0.793 | S | S | * | * | | | trans | -65.3 | 142.4 | 172.4 | 0 | 0 | 0 | 0 | 0 | 112 | E630 | G628-E630 PolarHBondContact O-N 2.86Š|
| 629 | P | 43.9 | Very low | 41.1 | Very low | 133 Ų | 133 | 141.2 Ų | 141.2 | 86% | 0.864 | 79% | 0.793 | S | S | * | * | | | trans | -81.4 | 78.5 | -172 | 33.2 | -36.7 | 0 | 0 | 0 | 112.8 | | |
| 630 | E | 37.2 | Very low | 42.5 | Very low | 137 Ų | 137 | 145.4 Ų | 145.4 | 64% | 0.64 | 80% | 0.798 | S | S | * | * | | | trans | -101.1 | 105.8 | 174.5 | -153.2 | -175.3 | 144.7 | 0 | 0 | 112.9 | G628 K632 | G628-E630 PolarHBondContact O-N 2.86Å; E630-K632 PolarHBondContact O-N 3.06Å; E630-K632 VanDerWaalsContact OE1-CD 3.23Å; E630-K632 WeakPolarHBondContact OE1-CD 3.28Å; E630-K632 WeakPolarHBondContact OE1-CE 3.39Å; E630-K632 IonicContact OE1-NZ 2.72Å; E630-K632 PolarHBondContact OE1-NZ 3.1Å |
| 631 | N | 46.6 | Very low | 42.9 | Very low | 168 Ų | 168 | 145.3 Ų | 145.3 | 90% | 0.898 | 80% | 0.8 | S | S | * | * | | | trans | -73.3 | 85.3 | 179.2 | -93.5 | -68.3 | 0 | 0 | 0 | 112.4 | | |
| 632 | K | 53.7 | Low | 43.8 | Very low | 164 Ų | 164 | 144.6 Ų | 144.6 | 71% | 0.713 | 80% | 0.797 | S | S | * | * | | | trans | -121.3 | 121 | 169 | -78.5 | 177.5 | 174.3 | 158.5 | 0 | 111.5 | E630 | E630-K632 PolarHBondContact O-N 3.06Å; E630-K632 VanDerWaalsContact OE1-CD 3.23Å; E630-K632 WeakPolarHBondContact OE1-CD 3.28Å; E630-K632 WeakPolarHBondContact OE1-CE 3.39Å; E630-K632 IonicContact OE1-NZ 2.72Å; E630-K632 PolarHBondContact OE1-NZ 3.1Å |
| 633 | K | 55.4 | Low | 44.4 | Very low | 199 Ų | 199 | 150 Ų | 150 | 87% | 0.865 | 80% | 0.799 | S | S | * | * | P | Polyproline II helix | trans | -57.3 | 134.5 | 177.8 | -62.9 | 177.6 | -179.6 | 178.1 | 0 | 110.1 | K635 | K633-K635 PolarHBondContact O-N 3.3Š|
| 634 | P | 48.7 | Very low | 45.8 | Very low | 127 Ų | 127 | 150.3 Ų | 150.3 | 83% | 0.825 | 79% | 0.794 | S | S | * | * | P | Polyproline II helix | trans | -64.3 | 119.7 | 178.5 | 25.9 | -33.5 | 0 | 0 | 0 | 110.3 | Q636 | P634-Q636 PolarHBondContact O-N 3.47Š|
| 635 | K | 48.1 | Very low | 46.9 | Very low | 187 Ų | 187 | 148.5 Ų | 148.5 | 81% | 0.813 | 79% | 0.786 | S | S | * | * | P | Polyproline II helix | trans | -72.4 | 121.5 | 172.2 | -72.8 | -177.2 | 176.5 | 179.9 | 0 | 108.9 | K633 Y637 | K633-K635 PolarHBondContact O-N 3.3Å; K635-Y637 WeakPolarHBondContact O-CD1 3.28Å; K635-Y637 PolarHBondContact O-N 3.49Å |
| 636 | Q | 51.9 | Low | 47.4 | Very low | 168 Ų | 168 | 149.2 Ų | 149.2 | 79% | 0.785 | 78% | 0.784 | S | S | * | * | | | trans | -68.1 | 97.2 | 177.5 | -174.5 | -174.7 | 19 | 0 | 0 | 110.9 | P634 K638 | P634-Q636 PolarHBondContact O-N 3.47Å; Q636-K638 PolarHBondContact O-N 3.37Å; Q636-K638 VanDerWaalsContact O-N 3.15Å |
| 637 | Y | 45.7 | Very low | 48.6 | Very low | 205 Ų | 205 | 148 Ų | 148 | 80% | 0.804 | 78% | 0.781 | S | S | * | * | | | trans | -70.1 | 105 | 168.6 | 26.1 | -90.6 | 0 | 0 | 0 | 109.8 | K635 T639 | K635-Y637 WeakPolarHBondContact O-CD1 3.28Å; K635-Y637 PolarHBondContact O-N 3.49Å; Y637-T639 PolarHBondContact O-N 2.68Å; Y637-T639 VanDerWaalsContact O-N 3.14Å |
| 638 | K | 51.1 | Low | 49.7 | Very low | 173 Ų | 173 | 148 Ų | 148 | 75% | 0.752 | 78% | 0.781 | S | S | * | * | | | trans | -74.2 | 95.3 | 169.2 | -75.5 | -173.7 | 175.1 | -178 | 0 | 109.5 | Q636 K640 | Q636-K638 PolarHBondContact O-N 3.37Å; Q636-K638 VanDerWaalsContact O-N 3.15Å; K638-K640 PolarHBondContact O-N 2.96Å; K638-K640 VanDerWaalsContact O-N 3.12Å |
| 639 | T | 53.6 | Low | 50.8 | Low | 127 Ų | 127 | 151.9 Ų | 151.9 | 78% | 0.779 | 79% | 0.787 | S | S | * | * | | | trans | -57.5 | 114.3 | 167.3 | -51.3 | 0 | 0 | 0 | 0 | 109.3 | Y637 S641 | Y637-T639 PolarHBondContact O-N 2.68Å; Y637-T639 VanDerWaalsContact O-N 3.14Å; T639-S641 PolarHBondContact O-N 2.71Å |
| 640 | K | 59.8 | Low | 51.1 | Low | 193 Ų | 193 | 150.6 Ų | 150.6 | 84% | 0.839 | 78% | 0.778 | S | S | * | * | | | trans | -72.5 | 107.9 | 173.1 | -69.1 | -179.8 | 179.1 | 177.8 | 0 | 108.4 | K638 S642 | K638-K640 PolarHBondContact O-N 2.96Å; K638-K640 VanDerWaalsContact O-N 3.12Å; K640-S642 PolarHBondContact O-N 3.44Å |
| 641 | S | 44.9 | Very low | 52 | Low | 115 Ų | 115 | 150.1 Ų | 150.1 | 80% | 0.804 | 79% | 0.785 | S | S | * | * | | | trans | -79.3 | 61.5 | 179.3 | 60.8 | 0 | 0 | 0 | 0 | 112.2 | T639 Y643 | T639-S641 PolarHBondContact O-N 2.71Å; S641-Y643 PolarHBondContact O-N 2.89Å |
| 642 | S | 49.2 | Very low | 52.2 | Low | 112 Ų | 112 | 147.4 Ų | 147.4 | 78% | 0.783 | 77% | 0.77 | S | S | * | * | | | trans | -80.7 | 47.9 | 173.2 | 54.2 | 0 | 0 | 0 | 0 | 112 | K640 K644 | K640-S642 PolarHBondContact O-N 3.44Å; S642-K644 PolarHBondContact O-N 2.83Å |
| 643 | Y | 44 | Very low | 52.2 | Low | 203 Ų | 203 | 144.8 Ų | 144.8 | 80% | 0.796 | 77% | 0.768 | S | S | * | * | | | trans | -87.1 | 98.8 | 178.4 | -165.9 | -92.7 | 0 | 0 | 0 | 110 | S641 A645 | S641-Y643 PolarHBondContact O-N 2.89Å; Y643-A645 HydrophobicContact CD1-CB 4.06Å; Y643-A645 HydrophobicContact CE1-CB 3.96Å; Y643-A645 PolarHBondContact O-N 3Å; Y643-A645 VanDerWaalsContact O-N 3.13Å |
| 644 | K | 62.8 | Low | 52.1 | Low | 177 Ų | 177 | 140.9 Ų | 140.9 | 77% | 0.77 | 76% | 0.756 | S | S | * | * | | | trans | -74.2 | 95.6 | 166.7 | -84 | 175.7 | 169.3 | -78.6 | 0 | 108.5 | S642 F646 | S642-K644 PolarHBondContact O-N 2.83Å; K644-F646 HydrophobicContact CB-CE2 4.45Å; K644-F646 PolarHBondContact O-N 2.96Å; K644-F646 VanDerWaalsContact O-N 3.11Å |
| 645 | A | 52 | Low | 52.3 | Low | 81 Ų | 81 | 140 Ų | 140 | 67% | 0.669 | 74% | 0.744 | S | S | * | * | | | trans | -68.5 | 105.6 | 170 | 0 | 0 | 0 | 0 | 0 | 109.5 | Y643 | Y643-A645 HydrophobicContact CD1-CB 4.06Å; Y643-A645 HydrophobicContact CE1-CB 3.96Å; Y643-A645 PolarHBondContact O-N 3Å; Y643-A645 VanDerWaalsContact O-N 3.13Å |
| 646 | F | 50.3 | Low | 52.6 | Low | 191 Ų | 191 | 138.1 Ų | 138.1 | 84% | 0.838 | 74% | 0.742 | S | S | * | * | P | Polyproline II helix | trans | -73.6 | 122.9 | 165 | -70.1 | -83.5 | 0 | 0 | 0 | 108.5 | K644 A648 | K644-F646 HydrophobicContact CB-CE2 4.45Å; K644-F646 PolarHBondContact O-N 2.96Å; K644-F646 VanDerWaalsContact O-N 3.11Å; F646-A648 PolarHBondContact O-N 3.16Å |
| 647 | A | 56.6 | Low | 52.8 | Low | 91 Ų | 91 | 137.2 Ų | 137.2 | 75% | 0.752 | 74% | 0.738 | S | S | * | * | P | Polyproline II helix | trans | -70.9 | 127.3 | 171.5 | 0 | 0 | 0 | 0 | 0 | 108.9 | I649 | A647-I649 PolarHBondContact O-N 3.08Š|
| 648 | A | 59.3 | Low | 53.2 | Low | 98 Ų | 98 | 134.8 Ų | 134.8 | 81% | 0.81 | 73% | 0.734 | S | S | * | * | P | Polyproline II helix | trans | -64.3 | 119.8 | 173.1 | 0 | 0 | 0 | 0 | 0 | 109.3 | F646 P650 | F646-A648 PolarHBondContact O-N 3.16Å; A648-P650 WeakPolarHBondContact O-CD 3.46Å |
| 649 | I | 53 | Low | 53.5 | Low | 141 Ų | 141 | 135.5 Ų | 135.5 | 72% | 0.723 | 74% | 0.737 | S | S | * | * | P | Polyproline II helix | trans | -82.7 | 117 | 174.2 | -59.6 | 174.4 | 0 | 0 | 0 | 107.2 | A647 T651 | A647-I649 PolarHBondContact O-N 3.08Å; I649-T651 PolarHBondContact O-N 3.4Å |
| 650 | P | 49.1 | Very low | 53.5 | Low | 105 Ų | 105 | 133.6 Ų | 133.6 | 68% | 0.682 | 73% | 0.734 | S | S | * | * | | | trans | -71.9 | 101.5 | 173.1 | 29.2 | -32.7 | 0 | 0 | 0 | 109.1 | A648 N652 | A648-P650 WeakPolarHBondContact O-CD 3.46Å; P650-N652 PolarHBondContact O-N 3.09Å |
| 651 | T | 55.6 | Low | 53 | Low | 127 Ų | 127 | 132.3 Ų | 132.3 | 78% | 0.779 | 74% | 0.735 | S | S | * | * | | | trans | -72.2 | 24 | -173.1 | 52.6 | 0 | 0 | 0 | 0 | 114.7 | I649 | I649-T651 PolarHBondContact O-N 3.4Š|
| 652 | N | 51.6 | Low | 53.2 | Low | 111 Ų | 111 | 134.5 Ų | 134.5 | 59% | 0.594 | 74% | 0.738 | S | S | * | * | | | trans | -128.3 | 26.6 | -160.4 | -136.7 | -1.9 | 0 | 0 | 0 | 114.5 | P650 | P650-N652 PolarHBondContact O-N 3.09Š|
| 653 | T | 53.8 | Low | 53.1 | Low | 109 Ų | 109 | 137.1 Ų | 137.1 | 67% | 0.669 | 74% | 0.738 | S | S | * | * | S | Bend | trans | -85.9 | -39.7 | 172.9 | 47.9 | 0 | 0 | 0 | 0 | 113 | | |
| 654 | L | 52.3 | Low | 53.1 | Low | 117 Ų | 117 | 132 Ų | 132 | 61% | 0.613 | 73% | 0.729 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -77.2 | -21.3 | -172.2 | -63.3 | 174.7 | 0 | 0 | 0 | 114.4 | L656 E657 | L654-L656 VanDerWaalsContact C-N 3.28Å; L654-L656 PolarHBondContact O-N 3.23Å; L654-E657 PolarHBondContact O-N 3.28Å |
| 655 | L | 54.5 | Low | 52 | Low | 110 Ų | 110 | 128 Ų | 128 | 58% | 0.576 | 73% | 0.73 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -77.4 | -9.2 | -175.8 | -73.8 | 172.8 | 0 | 0 | 0 | 114.4 | | |
| 656 | L | 52.6 | Low | 51.3 | Low | 147 Ų | 147 | 135.4 Ų | 135.4 | 77% | 0.77 | 74% | 0.74 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -88.2 | -27.2 | 171.2 | -67.3 | 174.7 | 0 | 0 | 0 | 112.5 | L654 | L654-L656 VanDerWaalsContact C-N 3.28Å; L654-L656 PolarHBondContact O-N 3.23Å |
| 657 | E | 57.6 | Low | 50.7 | Low | 148 Ų | 148 | 133.3 Ų | 133.3 | 69% | 0.692 | 74% | 0.743 | S | S | * | * | G | 310 helix | trans | -76.1 | -29.8 | -176.6 | -165.4 | 165.2 | -155.5 | 0 | 0 | 112.2 | L654 K659 | L654-E657 PolarHBondContact O-N 3.28Å; E657-K659 PolarHBondContact O-N 3.24Å |
| 658 | Q | 54.3 | Low | 49.5 | Very low | 155 Ų | 155 | 137.5 Ų | 137.5 | 72% | 0.724 | 75% | 0.748 | S | S | * | * | G | 310 helix | trans | -77.6 | 4.7 | -179.8 | -65.8 | -174.6 | -30 | 0 | 0 | 115 | | |
| 659 | K | 56.9 | Low | 48.3 | Very low | 188 Ų | 188 | 137.2 Ų | 137.2 | 82% | 0.817 | 74% | 0.74 | S | S | * | * | G | 310 helix | trans | -92.4 | 0.4 | 176.4 | -79.6 | -69.4 | -176.1 | -174.5 | 0 | 114.7 | E657 | E657-K659 PolarHBondContact O-N 3.24Š|
| 660 | A | 52.6 | Low | 47.1 | Very low | 86 Ų | 86 | 136.6 Ų | 136.6 | 71% | 0.711 | 74% | 0.738 | S | S | * | * | S | Bend | trans | -100.9 | -0.2 | -173.7 | 0 | 0 | 0 | 0 | 0 | 115.5 | | |
| 661 | L | 49.1 | Very low | 46.5 | Very low | 167 Ų | 167 | 136.6 Ų | 136.6 | 87% | 0.874 | 74% | 0.74 | S | S | * | * | | | trans | -131.9 | 69.4 | -173.8 | -68.9 | 176 | 0 | 0 | 0 | 112.6 | | |
| 662 | D | 49.8 | Very low | 45.6 | Very low | 160 Ų | 160 | 140.4 Ų | 140.4 | 86% | 0.856 | 75% | 0.746 | S | S | * | * | | | trans | -150.4 | 72.4 | 159.1 | -161.2 | 13.5 | 0 | 0 | 0 | 109.9 | | |
| 663 | E | 47.8 | Very low | 44.5 | Very low | 168 Ų | 168 | 139.4 Ų | 139.4 | 79% | 0.785 | 75% | 0.753 | S | S | * | * | | | trans | -122 | 110.4 | 173.4 | -143.2 | -74.2 | 131.6 | 0 | 0 | 106.6 | A665 | E663-A665 PolarHBondContact O-N 3.1Å; E663-A665 VanDerWaalsContact O-N 3.14Å |
| 664 | P | 44 | Very low | 43.3 | Very low | 94 Ų | 94 | 139.4 Ų | 139.4 | 61% | 0.61 | 76% | 0.757 | S | S | * | * | | | trans | -78.8 | 105.2 | -165.6 | 28.9 | -34.2 | 0 | 0 | 0 | 111.5 | R666 | P664-R666 PolarHBondContact O-N 2.92Š|
| 665 | A | 39.1 | Very low | 42.4 | Very low | 95 Ų | 95 | 140 Ų | 140 | 79% | 0.785 | 77% | 0.766 | S | S | * | * | | | trans | -43.2 | 109.4 | -176.8 | 0 | 0 | 0 | 0 | 0 | 113.5 | E663 T667 | E663-A665 PolarHBondContact O-N 3.1Å; E663-A665 VanDerWaalsContact O-N 3.14Å; A665-T667 PolarHBondContact O-N 3.37Å |
| 666 | R | 36.9 | Very low | 41.4 | Very low | 236 Ų | 236 | 139.2 Ų | 139.2 | 89% | 0.891 | 77% | 0.769 | S | S | * | * | | | trans | -78.8 | 116.8 | 173.9 | -80.3 | -75.9 | 172.1 | 158.2 | -2.3 | 110.3 | P664 E668 | P664-R666 PolarHBondContact O-N 2.92Å; R666-E668 PolarHBondContact O-N 3.5Å |
| 667 | T | 38.3 | Very low | 40.2 | Very low | 147 Ų | 147 | 139.5 Ų | 139.5 | 90% | 0.902 | 77% | 0.771 | S | S | * | * | | | trans | -67.1 | 109.4 | 170.1 | -45.8 | 0 | 0 | 0 | 0 | 109.9 | A665 | A665-T667 PolarHBondContact O-N 3.37Š|
| 668 | E | 31.7 | Very low | 39.2 | Very low | 179 Ų | 179 | 139.7 Ų | 139.7 | 84% | 0.836 | 78% | 0.776 | S | S | * | * | | | trans | -120.3 | 130.8 | 161.3 | -171.7 | 159.6 | -146.2 | 0 | 0 | 109 | R666 | R666-E668 PolarHBondContact O-N 3.5Š|
| 669 | S | 33.6 | Very low | 38.8 | Very low | 92 Ų | 92 | 137.8 Ų | 137.8 | 64% | 0.643 | 78% | 0.778 | S | S | * | * | | | trans | -94.4 | -167.4 | -177.9 | 53.5 | 0 | 0 | 0 | 0 | 111.5 | | |
| 670 | N | 28.4 | Very low | 37.9 | Very low | 128 Ų | 128 | 134.5 Ų | 134.5 | 68% | 0.684 | 77% | 0.773 | S | S | * | * | | | trans | 110.5 | 71.2 | 155.4 | -47.4 | -26.2 | 0 | 0 | 0 | 118.9 | | |
| 671 | S | 36 | Very low | 37 | Very low | 104 Ų | 104 | 136.4 Ų | 136.4 | 73% | 0.727 | 77% | 0.767 | S | S | * | * | | | | 76.8 | 141.6 | 124.3 | 77 | 0 | 0 | 0 | 0 | 122.7 | | |
| 672 | K | 35.9 | Very low | 36.2 | Very low | 208 Ų | 208 | 136.7 Ų | 136.7 | 90% | 0.904 | 76% | 0.764 | S | S | * | * | | | trans | 67.2 | 149.9 | 165.5 | -64.8 | 178.3 | 179.7 | 178.9 | 0 | 115.4 | | |
| 673 | A | 29 | Very low | 35.2 | Very low | 90 Ų | 90 | 133.1 Ų | 133.1 | 74% | 0.744 | 75% | 0.751 | S | S | * | * | | | cis | -174.1 | 161.2 | -12.5 | 0 | 0 | 0 | 0 | 0 | 107.6 | | |
| 674 | S | 29.3 | Very low | 34.3 | Very low | 108 Ų | 108 | 130.4 Ų | 130.4 | 76% | 0.755 | 75% | 0.751 | S | S | * | * | | | cis | -175.9 | -170.3 | -13.3 | 50.1 | 0 | 0 | 0 | 0 | 109.2 | | |
| 675 | V | 33.1 | Very low | 33.6 | Very low | 131 Ų | 131 | 132.9 Ų | 132.9 | 79% | 0.794 | 76% | 0.759 | S | S | * | * | | | trans | 87.6 | 112.8 | 163.8 | 177.1 | 0 | 0 | 0 | 0 | 118.9 | | |
| 676 | S | 32.8 | Very low | 33.1 | Very low | 93 Ų | 93 | 133 Ų | 133 | 65% | 0.65 | 75% | 0.754 | S | S | * | * | | | trans | 72.6 | 113.6 | 145.9 | -77.4 | 0 | 0 | 0 | 0 | 125.3 | | |
| 677 | D | 27.3 | Very low | 34.1 | Very low | 152 Ų | 152 | 127.5 Ų | 127.5 | 81% | 0.813 | 75% | 0.749 | S | S | * | * | | | | 79.2 | 130.5 | 122.3 | -56.3 | -45.2 | 0 | 0 | 0 | 123.8 | | |
| 678 | L | 37.8 | Very low | 33.6 | Very low | 152 Ų | 152 | 126.6 Ų | 126.6 | 80% | 0.796 | 75% | 0.749 | S | S | * | * | | | trans | -118.6 | 150 | 170.3 | -86.9 | 157.8 | 0 | 0 | 0 | 107.4 | V680 | L678-V680 HydrophobicContact CD2-CG2 4.41Š|
| 679 | P | 46.2 | Very low | 33.6 | Very low | 116 Ų | 116 | 129.4 Ų | 129.4 | 75% | 0.753 | 75% | 0.752 | S | S | * | * | | | | -142.2 | 169.3 | 82.3 | 37 | -18 | 0 | 0 | 0 | 112.8 | | |
| 680 | V | 36.3 | Very low | 34.3 | Very low | 118 Ų | 118 | 129.6 Ų | 129.6 | 72% | 0.715 | 75% | 0.751 | S | S | * | * | | | cis | 74.9 | 132.6 | 34.6 | -177.3 | 0 | 0 | 0 | 0 | 113 | L678 | L678-V680 HydrophobicContact CD2-CG2 4.41Š|
| 681 | E | 34.7 | Very low | 34.3 | Very low | 127 Ų | 127 | 128.1 Ų | 128.1 | 59% | 0.593 | 75% | 0.75 | S | S | * | * | | | cis | -111.6 | -135.5 | -8.7 | -150.2 | -167.1 | 93.2 | 0 | 0 | 110.1 | S683 | E681-S683 VanDerWaalsContact OE1-CB 3.22Å; E681-S683 WeakPolarHBondContact OE1-CB 3.35Å; E681-S683 PolarHBondContact OE1-OG 3.24Å |
| 682 | H | 33 | Very low | 34.1 | Very low | 173 Ų | 173 | 131 Ų | 131 | 80% | 0.801 | 75% | 0.752 | S | S | * | * | | | cis | -141 | 166.6 | -0.2 | -88.6 | -50.4 | 0 | 0 | 0 | 106.9 | | |
| 683 | S | 27.7 | Very low | 33.7 | Very low | 85 Ų | 85 | 126.4 Ų | 126.4 | 59% | 0.594 | 74% | 0.742 | S | S | * | * | | | cis | 81.2 | 133.9 | 29.6 | -57 | 0 | 0 | 0 | 0 | 115.6 | E681 | E681-S683 VanDerWaalsContact OE1-CB 3.22Å; E681-S683 WeakPolarHBondContact OE1-CB 3.35Å; E681-S683 PolarHBondContact OE1-OG 3.24Å |
| 684 | S | 29.7 | Very low | 33.7 | Very low | 111 Ų | 111 | 130 Ų | 130 | 78% | 0.776 | 75% | 0.745 | S | S | * | * | | | cis | -162.5 | 159.2 | -12.1 | -89.6 | 0 | 0 | 0 | 0 | 112.6 | | |
| 685 | D | 28 | Very low | 33.8 | Very low | 146 Ų | 146 | 133 Ų | 133 | 78% | 0.781 | 75% | 0.752 | S | S | * | * | | | trans | 55 | 121.5 | 153.5 | -112.6 | -28 | 0 | 0 | 0 | 125.3 | | |
| 686 | S | 30.1 | Very low | 33.5 | Very low | 96 Ų | 96 | 130 Ų | 130 | 67% | 0.671 | 75% | 0.746 | S | S | * | * | | | | 33.8 | 174.8 | 125.3 | -46.6 | 0 | 0 | 0 | 0 | 124.6 | | |
| 687 | P | 56.8 | Low | 33.8 | Very low | 121 Ų | 121 | 130.4 Ų | 130.4 | 79% | 0.786 | 75% | 0.749 | S | S | * | * | | | | -138.9 | 149.5 | -68.3 | 40.6 | -24.3 | 0 | 0 | 0 | 116.1 | | |
| 688 | S | 27.2 | Very low | 33.9 | Very low | 129 Ų | 129 | 130.6 Ų | 130.6 | 90% | 0.902 | 75% | 0.745 | S | S | * | * | | | trans | -164.5 | 165.3 | 158.6 | 54.9 | 0 | 0 | 0 | 0 | 116.4 | | |
| 689 | R | 32.1 | Very low | 33.8 | Very low | 238 Ų | 238 | 130.5 Ų | 130.5 | 90% | 0.898 | 75% | 0.751 | S | S | * | * | | | trans | -110.3 | 179.9 | 177.6 | -137 | -176.5 | 152.2 | -144.5 | -3.5 | 108.4 | | |
| 690 | P | 48.8 | Very low | 33.4 | Very low | 96 Ų | 96 | 131.2 Ų | 131.2 | 62% | 0.623 | 75% | 0.748 | S | S | * | * | | | cis | -142.6 | -144.4 | 2.5 | 43.8 | -20.5 | 0 | 0 | 0 | 115.2 | | |
| 691 | S | 28.3 | Very low | 33.5 | Very low | 96 Ų | 96 | 135.6 Ų | 135.6 | 67% | 0.671 | 76% | 0.757 | S | S | * | * | | | trans | 82.1 | 151.8 | 163.8 | -68.1 | 0 | 0 | 0 | 0 | 118.7 | | |
| 692 | Q | 31.6 | Very low | 33.5 | Very low | 166 Ų | 166 | 135.4 Ų | 135.4 | 78% | 0.776 | 77% | 0.765 | S | S | * | * | | | cis | -165.9 | 138 | -28.6 | -124.5 | 173.7 | -9.7 | 0 | 0 | 111.9 | | |
| 693 | T | 27.7 | Very low | 34 | Very low | 111 Ų | 111 | 132.2 Ų | 132.2 | 68% | 0.681 | 76% | 0.759 | S | S | * | * | | | trans | 40 | 132.9 | 140.9 | 52.8 | 0 | 0 | 0 | 0 | 126.1 | | |
| 694 | M | 28.3 | Very low | 34.1 | Very low | 166 Ų | 166 | 134.2 Ų | 134.2 | 82% | 0.818 | 77% | 0.768 | S | S | * | * | | | | 89.5 | 165.9 | 129.4 | -74.2 | -77.3 | 100.4 | 0 | 0 | 122.7 | | |
| 695 | L | 33.2 | Very low | 34.3 | Very low | 171 Ų | 171 | 134.2 Ų | 134.2 | 90% | 0.895 | 76% | 0.764 | S | S | * | * | | | trans | 71.6 | 142.5 | -172.9 | -63.2 | 97.6 | 0 | 0 | 0 | 116.9 | | |
| 696 | G | 26.2 | Very low | 34.9 | Very low | 66 Ų | 66 | 135.8 Ų | 135.8 | 68% | 0.68 | 77% | 0.766 | S | S | * | * | | | cis | 142.8 | 133.2 | -13.1 | 0 | 0 | 0 | 0 | 0 | 114.8 | | |
| 697 | S | 38.6 | Very low | 35.7 | Very low | 102 Ų | 102 | 137.5 Ų | 137.5 | 71% | 0.713 | 78% | 0.775 | S | S | * | * | | | trans | 58.1 | 112.7 | 171.1 | -72.1 | 0 | 0 | 0 | 0 | 117.3 | | |
| 698 | E | 29.8 | Very low | 34.7 | Very low | 156 Ų | 156 | 143.1 Ų | 143.1 | 73% | 0.729 | 78% | 0.78 | S | S | * | * | | | | 78.9 | 125.1 | 79 | -78 | 178.9 | 112.2 | 0 | 0 | 115.4 | | |
| 699 | T | 35.8 | Very low | 35.2 | Very low | 150 Ų | 150 | 141.3 Ų | 141.3 | 92% | 0.92 | 77% | 0.774 | S | S | * | * | | | trans | -154.4 | 149.3 | 142.2 | -10.1 | 0 | 0 | 0 | 0 | 109.8 | | |
| 700 | I | 36.7 | Very low | 35.4 | Very low | 132 Ų | 132 | 134.4 Ų | 134.4 | 68% | 0.677 | 77% | 0.767 | S | S | * | * | | | trans | -109 | 138.5 | -159.9 | -60.6 | 152.5 | 0 | 0 | 0 | 111.2 | | |
| 701 | K | 39 | Very low | 34.8 | Very low | 209 Ų | 209 | 133.3 Ų | 133.3 | 91% | 0.909 | 77% | 0.774 | S | S | * | * | | | trans | -166.6 | 109.7 | 147.8 | -102.9 | 143.4 | -170.7 | 177.1 | 0 | 112.5 | | |
| 702 | T | 34.2 | Very low | 35.5 | Very low | 124 Ų | 124 | 139.5 Ų | 139.5 | 76% | 0.761 | 78% | 0.782 | S | S | * | * | | | trans | -95.1 | -176.4 | 164.3 | 53.6 | 0 | 0 | 0 | 0 | 108.3 | | |
| 703 | P | 43.3 | Very low | 36.2 | Very low | 105 Ų | 105 | 138 Ų | 138 | 68% | 0.682 | 78% | 0.775 | S | S | * | * | | | cis | -144.1 | -171.2 | 9.5 | 44.9 | -25.5 | 0 | 0 | 0 | 116.6 | | |
| 704 | T | 31.3 | Very low | 36.8 | Very low | 127 Ų | 127 | 140 Ų | 140 | 78% | 0.779 | 79% | 0.787 | S | S | * | * | | | trans | 67.4 | 136.4 | 143 | -64.8 | 0 | 0 | 0 | 0 | 119.4 | | |
| 705 | T | 32.8 | Very low | 37.4 | Very low | 112 Ų | 112 | 139.8 Ų | 139.8 | 69% | 0.687 | 78% | 0.782 | S | S | * | * | | | cis | -166.6 | 145.8 | -16.1 | -94.7 | 0 | 0 | 0 | 0 | 107.9 | | |
| 706 | H | 40.3 | Very low | 37.8 | Very low | 179 Ų | 179 | 143.1 Ų | 143.1 | 83% | 0.829 | 78% | 0.784 | S | S | * | * | | | trans | -76.5 | 151.9 | 169.2 | -64.4 | -71 | 0 | 0 | 0 | 112.1 | | |
| 707 | P | 47.8 | Very low | 38.5 | Very low | 132 Ų | 132 | 144 Ų | 144 | 86% | 0.857 | 79% | 0.785 | S | S | * | * | | | | -123.2 | 166.3 | 121.9 | 33.9 | -28.8 | 0 | 0 | 0 | 113.8 | | |
| 708 | R | 35.1 | Very low | 38.5 | Very low | 238 Ų | 238 | 146.9 Ų | 146.9 | 90% | 0.898 | 79% | 0.793 | S | S | * | * | | | trans | -114.5 | 141.1 | -153.3 | 158.3 | -173.8 | 177.9 | -163.8 | 2.4 | 112.1 | | |
| 709 | A | 39 | Very low | 39 | Very low | 92 Ų | 92 | 147.3 Ų | 147.3 | 76% | 0.76 | 80% | 0.799 | S | S | * | * | | | trans | 70.1 | 164.6 | 162.2 | 0 | 0 | 0 | 0 | 0 | 116.2 | | |
| 710 | A | 36.4 | Very low | 39 | Very low | 92 Ų | 92 | 145.5 Ų | 145.5 | 76% | 0.76 | 79% | 0.792 | S | S | * | * | | | cis | -146 | 123.6 | 11.6 | 0 | 0 | 0 | 0 | 0 | 116.4 | | |
| 711 | G | 35 | Very low | 38.9 | Very low | 74 Ų | 74 | 144.6 Ų | 144.6 | 76% | 0.763 | 80% | 0.798 | S | S | * | * | | | trans | 75.4 | -173.3 | 139.7 | 0 | 0 | 0 | 0 | 0 | 119.6 | | |
| 712 | R | 42.4 | Very low | 38.7 | Very low | 226 Ų | 226 | 140 Ų | 140 | 85% | 0.853 | 79% | 0.792 | S | S | * | * | | | trans | 83.3 | 144.2 | -178.2 | -54.5 | 178.1 | -179.5 | -111.9 | -2.8 | 117.1 | | |
| 713 | E | 46.8 | Very low | 38.5 | Very low | 135 Ų | 135 | 139.8 Ų | 139.8 | 63% | 0.631 | 80% | 0.796 | S | S | * | * | | | trans | 29 | 102.5 | 159.8 | 64.7 | -154.7 | 99.8 | 0 | 0 | 121 | K715 | E713-K715 WeakPolarHBondContact OE2-CE 3.29Å; E713-K715 IonicContact OE2-NZ 3.85Å |
| 714 | T | 40 | Very low | 38.1 | Very low | 151 Ų | 151 | 139.4 Ų | 139.4 | 93% | 0.926 | 80% | 0.796 | S | S | * | * | | | trans | -98.6 | 115.1 | 146.5 | -19.2 | 0 | 0 | 0 | 0 | 108.5 | | |
| 715 | K | 42.4 | Very low | 38.1 | Very low | 162 Ų | 162 | 140.2 Ų | 140.2 | 70% | 0.704 | 80% | 0.8 | S | S | * | * | | | trans | -80 | 168 | 175.9 | -67 | 176.7 | -176.8 | 170.6 | 0 | 110.6 | E713 | E713-K715 WeakPolarHBondContact OE2-CE 3.29Å; E713-K715 IonicContact OE2-NZ 3.85Å |
| 716 | Y | 41.1 | Very low | 38.2 | Very low | 241 Ų | 241 | 141 Ų | 141 | 95% | 0.945 | 81% | 0.805 | S | S | * | * | | | trans | -46.9 | 136.7 | 175.6 | -60.3 | -91.5 | 0 | 0 | 0 | 113.3 | | |
| 717 | A | 39.8 | Very low | 38.2 | Very low | 86 Ų | 86 | 138.1 Ų | 138.1 | 71% | 0.711 | 81% | 0.805 | S | S | * | * | | | trans | -136.6 | 117.3 | 160.9 | 0 | 0 | 0 | 0 | 0 | 108.9 | | |
| 718 | N | 38.7 | Very low | 37.9 | Very low | 162 Ų | 162 | 138.9 Ų | 138.9 | 87% | 0.866 | 80% | 0.797 | S | S | * | * | | | trans | -73.9 | 127.5 | 163.7 | -80.2 | -58.2 | 0 | 0 | 0 | 108.2 | | |
| 719 | L | 40.3 | Very low | 38.8 | Very low | 165 Ų | 165 | 132.5 Ų | 132.5 | 86% | 0.864 | 79% | 0.789 | S | S | * | * | | | trans | -128.2 | 80.6 | 168.8 | -74.1 | 178.9 | 0 | 0 | 0 | 110.4 | S721 | L719-S721 PolarHBondContact O-N 3.18Š|
| 720 | S | 36.8 | Very low | 39.6 | Very low | 111 Ų | 111 | 134.5 Ų | 134.5 | 78% | 0.776 | 78% | 0.783 | S | S | * | * | | | trans | -71.7 | 106.8 | 156.6 | 49.6 | 0 | 0 | 0 | 0 | 109.4 | | |
| 721 | S | 34.3 | Very low | 40.6 | Very low | 113 Ų | 113 | 137.9 Ų | 137.9 | 79% | 0.79 | 79% | 0.787 | S | S | * | * | | | trans | -179.3 | 144.1 | 137.3 | -83 | 0 | 0 | 0 | 0 | 114.2 | L719 | L719-S721 PolarHBondContact O-N 3.18Š|
| 722 | S | 35.4 | Very low | 42.1 | Very low | 114 Ų | 114 | 138.3 Ų | 138.3 | 80% | 0.797 | 78% | 0.775 | S | S | * | * | | | trans | -5.8 | 139 | 158.2 | 56.3 | 0 | 0 | 0 | 0 | 120.9 | | |
| 723 | S | 29.7 | Very low | 43.5 | Very low | 119 Ų | 119 | 135.9 Ų | 135.9 | 83% | 0.832 | 77% | 0.771 | S | S | * | * | | | | -147.9 | 165.9 | 120.3 | -161.7 | 0 | 0 | 0 | 0 | 111.6 | | |
| 724 | S | 34.7 | Very low | 44.2 | Very low | 97 Ų | 97 | 135.9 Ų | 135.9 | 68% | 0.678 | 78% | 0.782 | S | S | * | * | | | trans | -69.9 | 156.1 | -175.8 | 53.1 | 0 | 0 | 0 | 0 | 113.7 | | |
| 725 | T | 30.9 | Very low | 45.2 | Very low | 143 Ų | 143 | 132.6 Ų | 132.6 | 88% | 0.877 | 78% | 0.779 | S | S | * | * | | | trans | -125.5 | 102.8 | 152 | 46.3 | 0 | 0 | 0 | 0 | 107.9 | S727 | T725-S727 PolarHBondContact O-N 3.2Š|
| 726 | T | 35.2 | Very low | 46.3 | Very low | 128 Ų | 128 | 128.8 Ų | 128.8 | 79% | 0.785 | 77% | 0.769 | S | S | * | * | | | trans | -63.4 | 129.3 | 166 | 34.6 | 0 | 0 | 0 | 0 | 108.7 | E728 | T726-E728 PolarHBondContact O-N 3.11Š|
| 727 | S | 40.6 | Very low | 47.9 | Very low | 119 Ų | 119 | 125.3 Ų | 125.3 | 83% | 0.832 | 77% | 0.765 | S | S | * | * | | | trans | -78.1 | 90.5 | 175.4 | 54.3 | 0 | 0 | 0 | 0 | 109.8 | T725 S729 | T725-S727 PolarHBondContact O-N 3.2Å; S727-S729 PolarHBondContact O-N 3.48Å |
| 728 | E | 41.4 | Very low | 49.2 | Very low | 149 Ų | 149 | 129.5 Ų | 129.5 | 70% | 0.696 | 76% | 0.762 | S | S | * | * | | | trans | -62.8 | 100.7 | 174.2 | -169.7 | -170.2 | 142.5 | 0 | 0 | 110.2 | T726 Q730 | T726-E728 PolarHBondContact O-N 3.11Å; E728-Q730 VanDerWaalsContact C-N 3.29Å; E728-Q730 HydrophobicContact CG-CG 4.13Å; E728-Q730 PolarHBondContact O-N 3.26Å; E728-Q730 WeakPolarHBondContact OE1-CG 3.36Å; E728-Q730 PolarHBondContact OE1-NE2 3.13Å |
| 729 | S | 53.2 | Low | 50.4 | Low | 103 Ų | 103 | 127.7 Ų | 127.7 | 72% | 0.72 | 76% | 0.76 | S | S | * | * | | | trans | -77.3 | 79.2 | 178.1 | -168.5 | 0 | 0 | 0 | 0 | 110.3 | S727 L731 | S727-S729 PolarHBondContact O-N 3.48Å; S729-L731 PolarHBondContact O-N 2.98Å |
| 730 | Q | 57.7 | Low | 51.3 | Low | 134 Ų | 134 | 125.4 Ų | 125.4 | 63% | 0.626 | 75% | 0.752 | S | S | * | * | | | trans | -66.1 | 100.8 | 173.5 | -71 | -167.4 | -6.4 | 0 | 0 | 110.3 | E728 T732 | E728-Q730 VanDerWaalsContact C-N 3.29Å; E728-Q730 HydrophobicContact CG-CG 4.13Å; E728-Q730 PolarHBondContact O-N 3.26Å; E728-Q730 WeakPolarHBondContact OE1-CG 3.36Å; E728-Q730 PolarHBondContact OE1-NE2 3.13Å; Q730-T732 PolarHBondContact O-N 3.06Å |
| 731 | L | 55.9 | Low | 51.8 | Low | 164 Ų | 164 | 125.4 Ų | 125.4 | 86% | 0.859 | 75% | 0.75 | S | S | * | * | | | trans | -59.2 | 105.7 | 176.5 | -66 | 173.2 | 0 | 0 | 0 | 110.4 | S729 | S729-L731 PolarHBondContact O-N 2.98Š|
| 732 | T | 67.1 | Low | 52.5 | Low | 82 Ų | 82 | 127.2 Ų | 127.2 | 50% | 0.503 | 75% | 0.749 | S | S | . | * | P | Polyproline II helix | trans | -75.6 | 147.1 | 171.5 | 41.1 | 0 | 0 | 0 | 0 | 110.1 | Q730 | Q730-T732 PolarHBondContact O-N 3.06Š|
| 733 | K | 71.6 | Confident | 53.1 | Low | 175 Ų | 175 | 130.9 Ų | 130.9 | 76% | 0.761 | 75% | 0.75 | S | S | * | * | P | Polyproline II helix | trans | -58.6 | 144.6 | 178.9 | -66.1 | -176.8 | 179 | -176.9 | 0 | 110.6 | G735 V736 | K733-G735 PolarHBondContact O-N 2.94Å; K733-V736 PolarHBondContact O-N 3.29Å |
| 734 | P | 61.2 | Low | 53.9 | Low | 135 Ų | 135 | 129.9 Ų | 129.9 | 88% | 0.877 | 74% | 0.743 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -54.4 | 135.7 | 177.7 | 22.9 | -33.8 | 0 | 0 | 0 | 110.8 | | |
| 735 | G | 60.4 | Low | 54.6 | Low | 83 Ų | 83 | 133.9 Ų | 133.9 | 86% | 0.856 | 75% | 0.748 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 93.9 | -7.3 | -176.7 | 0 | 0 | 0 | 0 | 0 | 116.1 | K733 | K733-G735 PolarHBondContact O-N 2.94Š|
| 736 | V | 66.1 | Low | 55.3 | Low | 82 Ų | 82 | 134.3 Ų | 134.3 | 50% | 0.497 | 75% | 0.745 | S | S | . | * | | | trans | -108.8 | 87.8 | 179.9 | -172.7 | 0 | 0 | 0 | 0 | 111.9 | K733 R738 | K733-V736 PolarHBondContact O-N 3.29Å; V736-R738 HydrophobicContact CG1-CG 4.36Å |
| 737 | I | 74.8 | Confident | 55.6 | Low | 167 Ų | 167 | 137.1 Ų | 137.1 | 86% | 0.856 | 75% | 0.746 | S | S | * | * | | | trans | -77.5 | 122.5 | 169.7 | -58.2 | 174.8 | 0 | 0 | 0 | 109 | | |
| 738 | R | 68.3 | Low | 55.7 | Low | 174 Ų | 174 | 139.1 Ų | 139.1 | 66% | 0.657 | 75% | 0.747 | S | S | * | * | | | trans | -113.9 | 133.4 | 163.3 | -64 | -163 | -63.3 | 168.9 | -1.5 | 109.3 | V736 V740 | V736-R738 HydrophobicContact CG1-CG 4.36Å; R738-V740 PolarHBondContact O-N 2.97Å |
| 739 | P | 63.4 | Low | 55.7 | Low | 125 Ų | 125 | 139.1 Ų | 139.1 | 81% | 0.812 | 75% | 0.745 | S | S | * | * | | | trans | -65.8 | 122.1 | 176.6 | 26.9 | -33.3 | 0 | 0 | 0 | 110.2 | | |
| 740 | V | 58.1 | Low | 55.5 | Low | 117 Ų | 117 | 144.1 Ų | 144.1 | 71% | 0.709 | 75% | 0.753 | S | S | * | * | | | trans | -76.4 | 128.4 | 175.2 | 178 | 0 | 0 | 0 | 0 | 108.8 | R738 I742 | R738-V740 PolarHBondContact O-N 2.97Å; V740-I742 PolarHBondContact O-N 2.81Å |
| 741 | P | 47.6 | Very low | 55.1 | Low | 111 Ų | 111 | 144.2 Ų | 144.2 | 72% | 0.721 | 75% | 0.754 | S | S | * | * | | | trans | -74.9 | 86.6 | 176.6 | 30.1 | -34.3 | 0 | 0 | 0 | 110.7 | K743 | P741-K743 PolarHBondContact O-N 3.24Å; P741-K743 VanDerWaalsContact O-N 3.1Å |
| 742 | I | 48.6 | Very low | 55.1 | Low | 150 Ų | 150 | 145.4 Ų | 145.4 | 77% | 0.769 | 76% | 0.755 | S | S | * | * | | | trans | -65.3 | 108.2 | 177 | -56.6 | 174.7 | 0 | 0 | 0 | 109.3 | V740 S744 | V740-I742 PolarHBondContact O-N 2.81Å; I742-S744 PolarHBondContact O-N 3.03Å |
| 743 | K | 49.7 | Very low | 54.2 | Low | 192 Ų | 192 | 150.1 Ų | 150.1 | 84% | 0.835 | 77% | 0.771 | S | S | * | * | | | trans | -83.1 | 91.4 | 173.9 | -67.5 | -177.8 | -178.7 | 177.5 | 0 | 110 | P741 K745 | P741-K743 PolarHBondContact O-N 3.24Å; P741-K743 VanDerWaalsContact O-N 3.1Å; K743-K745 PolarHBondContact O-N 3.33Å |
| 744 | S | 45.2 | Very low | 53.5 | Low | 98 Ų | 98 | 148.1 Ų | 148.1 | 69% | 0.685 | 77% | 0.773 | S | S | * | * | | | trans | -64.5 | 103.1 | 173.4 | 42.8 | 0 | 0 | 0 | 0 | 111.3 | I742 L746 | I742-S744 PolarHBondContact O-N 3.03Å; S744-L746 PolarHBondContact O-N 3.36Å; S744-L746 VanDerWaalsContact O-N 3.1Å |
| 745 | K | 49.4 | Very low | 53.3 | Low | 180 Ų | 180 | 150.9 Ų | 150.9 | 78% | 0.783 | 77% | 0.768 | S | S | * | * | | | trans | -75.2 | 93 | 166 | -74.3 | -173.1 | 177.7 | -179.1 | 0 | 109.1 | K743 F747 | K743-K745 PolarHBondContact O-N 3.33Å; K745-F747 HydrophobicContact CB-CE2 4.35Å; K745-F747 PolarHBondContact O-N 3.38Å; K745-F747 VanDerWaalsContact O-N 3.12Å |
| 746 | L | 45.5 | Very low | 53.6 | Low | 153 Ų | 153 | 155.1 Ų | 155.1 | 80% | 0.801 | 77% | 0.765 | S | S | * | * | | | trans | -66.6 | 105.4 | 166.7 | -73.4 | 170.5 | 0 | 0 | 0 | 109.2 | S744 L748 | S744-L746 PolarHBondContact O-N 3.36Å; S744-L746 VanDerWaalsContact O-N 3.1Å; L746-L748 PolarHBondContact O-N 3.21Å |
| 747 | F | 42.4 | Very low | 53.9 | Low | 187 Ų | 187 | 155.4 Ų | 155.4 | 82% | 0.82 | 77% | 0.768 | S | S | * | * | | | trans | -77 | 107.2 | 164.6 | -73 | -86.6 | 0 | 0 | 0 | 108.2 | K745 K749 | K745-F747 HydrophobicContact CB-CE2 4.35Å; K745-F747 PolarHBondContact O-N 3.38Å; K745-F747 VanDerWaalsContact O-N 3.12Å; F747-K749 VanDerWaalsContact C-N 3.33Å; F747-K749 PolarHBondContact O-N 3.01Å |
| 748 | L | 41.3 | Very low | 53.8 | Low | 160 Ų | 160 | 151.3 Ų | 151.3 | 84% | 0.838 | 75% | 0.748 | S | S | * | * | | | trans | -67.7 | 95.1 | 165.7 | -94.9 | 88.3 | 0 | 0 | 0 | 108.9 | L746 K750 | L746-L748 PolarHBondContact O-N 3.21Å; L748-K750 PolarHBondContact O-N 2.98Å |
| 749 | K | 43.1 | Very low | 54.2 | Low | 150 Ų | 150 | 147.2 Ų | 147.2 | 65% | 0.652 | 74% | 0.744 | S | S | * | * | | | trans | -68.8 | 115.5 | 156 | -171.1 | -173.9 | 174.2 | -154.1 | 0 | 106.4 | F747 E751 | F747-K749 VanDerWaalsContact C-N 3.33Å; F747-K749 PolarHBondContact O-N 3.01Å; K749-E751 WeakPolarHBondContact CD-OE2 3.44Å; K749-E751 WeakPolarHBondContact CE-OE1 3.43Å; K749-E751 VanDerWaalsContact CE-OE2 3.29Å; K749-E751 WeakPolarHBondContact CE-OE2 3.2Å; K749-E751 IonicContact NZ-OE1 2.68Å; K749-E751 PolarHBondContact NZ-OE1 2.74Å; K749-E751 IonicContact NZ-OE2 3.44Å; K749-E751 PolarHBondContact NZ-OE2 2.95Å; K749-E751 PolarHBondContact O-N 2.94Å |
| 750 | K | 48 | Very low | 54.1 | Low | 207 Ų | 207 | 147.9 Ų | 147.9 | 90% | 0.9 | 74% | 0.735 | S | S | * | * | | | trans | -70.8 | 88.4 | 163.4 | -88.4 | -167 | 169.7 | -166.1 | 0 | 107.6 | L748 | L748-K750 PolarHBondContact O-N 2.98Š|
| 751 | E | 48.8 | Very low | 54.5 | Low | 137 Ų | 137 | 144.5 Ų | 144.5 | 64% | 0.64 | 72% | 0.717 | S | S | * | * | | | trans | -78.2 | 125.7 | 155.5 | -145.6 | 98.6 | -130.4 | 0 | 0 | 106.2 | K749 E753 | K749-E751 WeakPolarHBondContact CD-OE2 3.44Å; K749-E751 WeakPolarHBondContact CE-OE1 3.43Å; K749-E751 VanDerWaalsContact CE-OE2 3.29Å; K749-E751 WeakPolarHBondContact CE-OE2 3.2Å; K749-E751 IonicContact NZ-OE1 2.68Å; K749-E751 PolarHBondContact NZ-OE1 2.74Å; K749-E751 IonicContact NZ-OE2 3.44Å; K749-E751 PolarHBondContact NZ-OE2 2.95Å; K749-E751 PolarHBondContact O-N 2.94Å; E751-E753 VanDerWaalsContact C-N 3.3Å; E751-E753 PolarHBondContact O-N 3.19Å; E751-E753 VanDerWaalsContact O-N 3.08Å |
| 752 | E | 56.2 | Low | 55.4 | Low | 188 Ų | 188 | 144.6 Ų | 144.6 | 88% | 0.879 | 71% | 0.705 | S | S | * | * | | | trans | -83.5 | 81.8 | 175.9 | -168.3 | 164.3 | 164.3 | 0 | 0 | 108.2 | V754 | E752-V754 PolarHBondContact O-N 3.42Š|
| 753 | E | 49.5 | Very low | 56.2 | Low | 182 Ų | 182 | 144.8 Ų | 144.8 | 85% | 0.85 | 70% | 0.698 | S | S | * | * | | | trans | -64 | 105.3 | -179.4 | -171.2 | 169.4 | -145.3 | 0 | 0 | 109.5 | E751 Y755 | E751-E753 VanDerWaalsContact C-N 3.3Å; E751-E753 PolarHBondContact O-N 3.19Å; E751-E753 VanDerWaalsContact O-N 3.08Å; E753-Y755 PolarHBondContact O-N 2.98Å; E753-Y755 VanDerWaalsContact O-N 3.1Å |
| 754 | V | 56 | Low | 56.9 | Low | 133 Ų | 133 | 141.2 Ų | 141.2 | 81% | 0.806 | 69% | 0.687 | S | S | * | * | | | trans | -62.4 | 113.6 | -179.8 | 177.3 | 0 | 0 | 0 | 0 | 108.5 | E752 E756 | E752-V754 PolarHBondContact O-N 3.42Å; V754-E756 PolarHBondContact O-N 3.15Å |
| 755 | Y | 57.8 | Low | 57.6 | Low | 193 Ų | 193 | 142.3 Ų | 142.3 | 76% | 0.757 | 68% | 0.681 | S | S | * | * | | | trans | -65.1 | 98.9 | -179.5 | 179.4 | -99.3 | 0 | 0 | 0 | 110.6 | E753 P757 | E753-Y755 PolarHBondContact O-N 2.98Å; E753-Y755 VanDerWaalsContact O-N 3.1Å; Y755-P757 HydrophobicContact CE1-CB 4.49Å; Y755-P757 WeakPolarHBondContact O-CD 3.19Å |
| 756 | E | 65.6 | Low | 57.9 | Low | 172 Ų | 172 | 139.8 Ų | 139.8 | 80% | 0.804 | 68% | 0.677 | S | S | * | * | P | Polyproline II helix | trans | -68.8 | 119.5 | 169.9 | -169.2 | 173.8 | -151.4 | 0 | 0 | 108.8 | V754 | V754-E756 PolarHBondContact O-N 3.15Š|
| 757 | P | 72.8 | Confident | 58.2 | Low | 87 Ų | 87 | 136.8 Ų | 136.8 | 57% | 0.565 | 67% | 0.668 | S | S | * | * | P | Polyproline II helix | trans | -69.3 | 145.5 | -174.4 | 28 | -34.5 | 0 | 0 | 0 | 111.2 | Y755 P759 | Y755-P757 HydrophobicContact CE1-CB 4.49Å; Y755-P757 WeakPolarHBondContact O-CD 3.19Å; P757-P759 WeakPolarHBondContact O-CD 3.22Å; P757-P759 VanDerWaalsContact O-N 3.11Å |
| 758 | N | 73.4 | Confident | 58.8 | Low | 81 Ų | 81 | 132.5 Ų | 132.5 | 43% | 0.433 | 66% | 0.661 | S | S | . | * | P | Polyproline II helix | trans | -47.4 | 116.6 | 179.6 | 173.9 | 6.9 | 0 | 0 | 0 | 111.6 | F760 S761 | N758-F760 PolarHBondContact O-N 3.14Å; N758-F760 WeakPolarHBondContact OD1-CD2 2.94Å; N758-F760 PolarHBondContact OD1-N 3.12Å; N758-F760 VanDerWaalsContact OD1-N 3.14Å; N758-S761 WeakPolarHBondContact O-CB 3.23Å; N758-S761 PolarHBondContact O-N 3.22Å; N758-S761 PolarHBondContact O-OG 2.96Å |
| 759 | P | 75.3 | Confident | 59.3 | Low | 88 Ų | 88 | 127.9 Ų | 127.9 | 57% | 0.571 | 65% | 0.653 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -66.3 | -5.3 | -173 | 26.2 | -35.8 | 0 | 0 | 0 | 114.6 | P757 K762 | P757-P759 WeakPolarHBondContact O-CD 3.22Å; P757-P759 VanDerWaalsContact O-N 3.11Å; P759-K762 WeakPolarHBondContact O-CE 3.01Å; P759-K762 PolarHBondContact O-NZ 2.93Å |
| 760 | F | 61.3 | Low | 59.7 | Low | 139 Ų | 139 | 127.9 Ų | 127.9 | 61% | 0.61 | 66% | 0.659 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -97.1 | -3.7 | 173.5 | -59.7 | -79.4 | 0 | 0 | 0 | 114.6 | N758 K762 Y763 | N758-F760 PolarHBondContact O-N 3.14Å; N758-F760 WeakPolarHBondContact OD1-CD2 2.94Å; N758-F760 PolarHBondContact OD1-N 3.12Å; N758-F760 VanDerWaalsContact OD1-N 3.14Å; F760-K762 VanDerWaalsContact C-N 3.29Å; F760-K762 PolarHBondContact O-N 3.08Å; F760-Y763 HydrophobicContact CB-CD2 4.46Å; F760-Y763 HydrophobicContact CD1-CD2 4.2Å; F760-Y763 HydrophobicContact CD1-CE2 4.26Å; F760-Y763 PolarHBondContact O-N 3.36Å; F760-Y763 VanDerWaalsContact O-N 3.14Å |
| 761 | S | 67.6 | Low | 59.8 | Low | 47 Ų | 47 | 127.3 Ų | 127.3 | 33% | 0.329 | 66% | 0.657 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -55.8 | -43.2 | -177.9 | 65.3 | 0 | 0 | 0 | 0 | 112.7 | N758 Y763 L764 | N758-S761 WeakPolarHBondContact O-CB 3.23Å; N758-S761 PolarHBondContact O-N 3.22Å; N758-S761 PolarHBondContact O-OG 2.96Å; S761-Y763 PolarHBondContact O-N 2.58Å; S761-L764 WeakPolarHBondContact O-CB 3.42Å; S761-L764 PolarHBondContact O-N 2.59Å |
| 762 | K | 66.9 | Low | 59.9 | Low | 112 Ų | 112 | 126.6 Ų | 126.6 | 49% | 0.487 | 67% | 0.667 | S | S | . | * | H | α-helix | trans | -53.1 | -16.8 | 177.4 | 68.9 | -162.7 | 177.9 | -146.8 | 0 | 115.9 | P759 F760 | P759-K762 WeakPolarHBondContact O-CE 3.01Å; P759-K762 PolarHBondContact O-NZ 2.93Å; F760-K762 VanDerWaalsContact C-N 3.29Å; F760-K762 PolarHBondContact O-N 3.08Å |
| 763 | Y | 65.3 | Low | 59.4 | Low | 154 Ų | 154 | 127 Ų | 127 | 60% | 0.604 | 67% | 0.669 | S | S | * | * | H | α-helix | trans | -95.8 | 2.6 | 175.7 | -56.9 | -61.8 | 0 | 0 | 0 | 113.4 | F760 S761 | F760-Y763 HydrophobicContact CB-CD2 4.46Å; F760-Y763 HydrophobicContact CD1-CD2 4.2Å; F760-Y763 HydrophobicContact CD1-CE2 4.26Å; F760-Y763 PolarHBondContact O-N 3.36Å; F760-Y763 VanDerWaalsContact O-N 3.14Å; S761-Y763 PolarHBondContact O-N 2.58Å |
| 764 | L | 63.3 | Low | 59 | Low | 117 Ų | 117 | 131.1 Ų | 131.1 | 61% | 0.613 | 69% | 0.688 | S | S | * | * | H | α-helix | trans | -102.1 | -40.2 | 175.5 | -64.2 | 170.8 | 0 | 0 | 0 | 111.4 | S761 D766 S767 | S761-L764 WeakPolarHBondContact O-CB 3.42Å; S761-L764 PolarHBondContact O-N 2.59Å; L764-D766 VanDerWaalsContact C-N 3.33Å; L764-D766 PolarHBondContact O-N 2.88Å; L764-S767 PolarHBondContact O-N 2.76Å; L764-S767 PolarHBondContact O-OG 2.82Å |
| 765 | E | 60.6 | Low | 59.1 | Low | 122 Ų | 122 | 131.1 Ų | 131.1 | 57% | 0.57 | 68% | 0.682 | S | S | * | * | H | α-helix | trans | -55.1 | -44.2 | 176.7 | -87.8 | 85.2 | -136.3 | 0 | 0 | 112.5 | S767 S768 | E765-S767 PolarHBondContact O-N 2.8Å; E765-S768 PolarHBondContact O-N 3.29Å; E765-S768 PolarHBondContact O-OG 2.94Å |
| 766 | D | 55.4 | Low | 59.2 | Low | 127 Ų | 127 | 127.8 Ų | 127.8 | 68% | 0.679 | 68% | 0.678 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -54.9 | -20.1 | -179 | -73.3 | -13.8 | 0 | 0 | 0 | 114.8 | L764 | L764-D766 VanDerWaalsContact C-N 3.33Å; L764-D766 PolarHBondContact O-N 2.88Å |
| 767 | S | 52.1 | Low | 58.8 | Low | 89 Ų | 89 | 125.3 Ų | 125.3 | 62% | 0.622 | 67% | 0.671 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -85.9 | -7.2 | -180 | 70.1 | 0 | 0 | 0 | 0 | 114.6 | L764 E765 | L764-S767 PolarHBondContact O-N 2.76Å; L764-S767 PolarHBondContact O-OG 2.82Å; E765-S767 PolarHBondContact O-N 2.8Å |
| 768 | S | 55.3 | Low | 58 | Low | 97 Ų | 97 | 127.6 Ų | 127.6 | 68% | 0.678 | 68% | 0.678 | S | S | * | * | S | Bend | trans | -99.5 | -16 | -170.4 | 66.1 | 0 | 0 | 0 | 0 | 115.3 | E765 | E765-S768 PolarHBondContact O-N 3.29Å; E765-S768 PolarHBondContact O-OG 2.94Å |
| 769 | G | 51.4 | Low | 57 | Low | 64 Ų | 64 | 130.5 Ų | 130.5 | 66% | 0.66 | 69% | 0.693 | S | S | * | * | S | Bend | trans | -87.2 | -8.3 | -171.3 | 0 | 0 | 0 | 0 | 0 | 117.1 | | |
| 770 | L | 51.9 | Low | 55.8 | Low | 149 Ų | 149 | 133.3 Ų | 133.3 | 78% | 0.78 | 70% | 0.701 | S | S | * | * | S | Bend | trans | -104.4 | 25.2 | -166 | -77.5 | 170 | 0 | 0 | 0 | 115.6 | | |
| 771 | F | 48.8 | Very low | 55.4 | Low | 196 Ų | 196 | 132.9 Ų | 132.9 | 86% | 0.86 | 71% | 0.708 | S | S | * | * | | | trans | -133.6 | 49.4 | 177.7 | -73.8 | -71.1 | 0 | 0 | 0 | 113.8 | | |
| 772 | S | 50.6 | Low | 54.5 | Low | 121 Ų | 121 | 139.5 Ų | 139.5 | 85% | 0.846 | 74% | 0.737 | S | S | * | * | S | Bend | trans | -138.2 | 29.3 | 174.2 | -69 | 0 | 0 | 0 | 0 | 114.7 | | |
| 773 | E | 47 | Very low | 53.4 | Low | 198 Ų | 198 | 141.8 Ų | 141.8 | 93% | 0.925 | 76% | 0.757 | S | S | * | * | | | trans | -150.1 | 79.3 | 165 | -160.2 | 172.9 | 127.8 | 0 | 0 | 112.8 | | |
| 774 | Q | 39.7 | Very low | 52.4 | Low | 268 Ų | 268 | 140.7 Ų | 140.7 | 100% | 1.252 | 77% | 0.771 | S | S | * | * | | | trans | -159.6 | 0 | 152.8 | -167.2 | 160.5 | 32.4 | 0 | 0 | 111.5 | | |