| 1 | M | 39.6 | Very low | 35.3 | Very low | 241 Ų | 241 | 145.4 Ų | 145.4 | 100% | 1.187 | 82% | 0.818 | S | S | * | * | | | | 0 | 120.2 | 0 | -57.5 | -170.4 | -78.1 | 0 | 0 | 106.1 | | |
| 2 | A | 37.8 | Very low | 34.8 | Very low | 88 Ų | 88 | 142 Ų | 142 | 73% | 0.727 | 80% | 0.804 | S | S | * | * | | | cis | 93.5 | 151.6 | 36.5 | 0 | 0 | 0 | 0 | 0 | 112.8 | | |
| 3 | T | 38.2 | Very low | 34.8 | Very low | 142 Ų | 142 | 145.4 Ų | 145.4 | 87% | 0.871 | 81% | 0.809 | S | S | * | * | | | trans | 67 | 127.7 | -166.1 | 71 | 0 | 0 | 0 | 0 | 114.2 | | |
| 4 | A | 40 | Very low | 34.4 | Very low | 109 Ų | 109 | 141.8 Ų | 141.8 | 90% | 0.901 | 81% | 0.807 | S | S | * | * | | | cis | 92.2 | 139.3 | 0.4 | 0 | 0 | 0 | 0 | 0 | 119.2 | | |
| 5 | G | 34 | Very low | 34 | Very low | 64 Ų | 64 | 136.8 Ų | 136.8 | 66% | 0.66 | 80% | 0.799 | S | S | * | * | | | trans | 143 | 122.9 | -172.9 | 0 | 0 | 0 | 0 | 0 | 108.8 | | |
| 6 | F | 31.4 | Very low | 33.7 | Very low | 216 Ų | 216 | 137.4 Ų | 137.4 | 95% | 0.947 | 81% | 0.806 | S | S | * | * | | | cis | 64.6 | 136.9 | 11.4 | -78.4 | -80.6 | 0 | 0 | 0 | 114.4 | | |
| 7 | A | 37.6 | Very low | 33.4 | Very low | 66 Ų | 66 | 134.9 Ų | 134.9 | 55% | 0.545 | 81% | 0.805 | S | S | . | * | | | cis | -153.6 | 177 | 8.1 | 0 | 0 | 0 | 0 | 0 | 113.9 | | |
| 8 | E | 34.3 | Very low | 33.1 | Very low | 168 Ų | 168 | 132.5 Ų | 132.5 | 79% | 0.785 | 80% | 0.802 | S | S | * | * | | | trans | 57.3 | 145.3 | 145.4 | -74.5 | 168.1 | 111.6 | 0 | 0 | 120.8 | | |
| 9 | Q | 33.7 | Very low | 32.8 | Very low | 172 Ų | 172 | 133.5 Ų | 133.5 | 80% | 0.804 | 80% | 0.802 | S | S | * | * | | | cis | 113.7 | 127.8 | 20.9 | -87.6 | -158 | 23.4 | 0 | 0 | 112.4 | | |
| 10 | R | 29.4 | Very low | 32.6 | Very low | 234 Ų | 234 | 132.7 Ų | 132.7 | 88% | 0.883 | 80% | 0.798 | S | S | * | * | | | trans | 177.4 | 119.3 | 143.7 | -95.5 | 165 | -178.7 | -163.5 | -0.9 | 105.8 | | |
| 11 | S | 31.8 | Very low | 32.5 | Very low | 99 Ų | 99 | 131.6 Ų | 131.6 | 69% | 0.692 | 80% | 0.797 | S | S | * | * | | | | 58.7 | 137.5 | 77.4 | 83.5 | 0 | 0 | 0 | 0 | 112.4 | | |
| 12 | T | 29.9 | Very low | 32 | Very low | 105 Ų | 105 | 131.7 Ų | 131.7 | 64% | 0.644 | 78% | 0.784 | S | S | * | * | | | | -171.7 | 134.4 | 59.7 | -71 | 0 | 0 | 0 | 0 | 112 | | |
| 13 | Q | 35.2 | Very low | 31.6 | Very low | 186 Ų | 186 | 132.9 Ų | 132.9 | 87% | 0.869 | 79% | 0.787 | S | S | * | * | | | trans | 40.1 | 160.5 | 142.4 | -62.8 | 174.5 | 9.5 | 0 | 0 | 122.9 | | |
| 14 | A | 29.4 | Very low | 31.5 | Very low | 95 Ų | 95 | 136.7 Ų | 136.7 | 79% | 0.785 | 79% | 0.785 | S | S | * | * | | | cis | -172 | 166.3 | -20.7 | 0 | 0 | 0 | 0 | 0 | 112.2 | | |
| 15 | G | 27.3 | Very low | 31.7 | Very low | 67 Ų | 67 | 137.7 Ų | 137.7 | 69% | 0.691 | 78% | 0.782 | S | S | * | * | | | trans | 85.3 | 161.6 | 156.5 | 0 | 0 | 0 | 0 | 0 | 118.2 | | |
| 16 | T | 29.3 | Very low | 31.4 | Very low | 146 Ų | 146 | 137.3 Ų | 137.3 | 90% | 0.896 | 78% | 0.779 | S | S | * | * | | | cis | -165.9 | 171.7 | -14.8 | -2 | 0 | 0 | 0 | 0 | 110.7 | | |
| 17 | A | 28.6 | Very low | 31.3 | Very low | 96 Ų | 96 | 133.2 Ų | 133.2 | 79% | 0.793 | 77% | 0.771 | S | S | * | * | | | trans | 68.9 | 144.3 | 178.3 | 0 | 0 | 0 | 0 | 0 | 116.8 | | |
| 18 | A | 28.6 | Very low | 31 | Very low | 91 Ų | 91 | 135.3 Ų | 135.3 | 75% | 0.752 | 79% | 0.789 | S | S | * | * | | | cis | 106.4 | 92.6 | 5.6 | 0 | 0 | 0 | 0 | 0 | 117.2 | | |
| 19 | D | 26.8 | Very low | 30.7 | Very low | 151 Ų | 151 | 130.8 Ų | 130.8 | 81% | 0.807 | 79% | 0.787 | S | S | * | * | | | | -168.8 | 157.6 | 125 | -103.1 | -21 | 0 | 0 | 0 | 109.7 | | |
| 20 | T | 29.4 | Very low | 30.4 | Very low | 118 Ų | 118 | 127.9 Ų | 127.9 | 72% | 0.724 | 79% | 0.792 | S | S | * | * | | | cis | 109.8 | 75 | 15.9 | -46.3 | 0 | 0 | 0 | 0 | 115 | | |
| 21 | S | 29.7 | Very low | 30.4 | Very low | 109 Ų | 109 | 121.3 Ų | 121.3 | 76% | 0.762 | 79% | 0.788 | S | S | * | * | | | trans | -171.6 | 131.5 | 147.5 | 36.8 | 0 | 0 | 0 | 0 | 107.7 | | |
| 22 | R | 30.2 | Very low | 30.2 | Very low | 244 Ų | 244 | 127.8 Ų | 127.8 | 92% | 0.921 | 80% | 0.797 | S | S | * | * | | | | 58.1 | 128.4 | 63.8 | -63.5 | -170.3 | 179.9 | -156.7 | 2.1 | 111.6 | | |
| 23 | S | 29.5 | Very low | 30.1 | Very low | 113 Ų | 113 | 128.2 Ų | 128.2 | 79% | 0.79 | 80% | 0.803 | S | S | * | * | | | cis | -149.1 | 151.4 | 20.9 | 51.2 | 0 | 0 | 0 | 0 | 115.1 | | |
| 24 | R | 34.6 | Very low | 29.8 | Very low | 222 Ų | 222 | 131.4 Ų | 131.4 | 84% | 0.838 | 81% | 0.808 | S | S | * | * | | | trans | -94.2 | 153.5 | 150 | -91.4 | -178.2 | 165.8 | -172.3 | -2.8 | 108.1 | | |
| 25 | P | 44.6 | Very low | 30.1 | Very low | 129 Ų | 129 | 133 Ų | 133 | 84% | 0.838 | 81% | 0.813 | S | S | * | * | | | | -136 | 174.9 | 91.8 | 37.7 | -26 | 0 | 0 | 0 | 112.1 | | |
| 26 | G | 27.3 | Very low | 30.2 | Very low | 57 Ų | 57 | 133.5 Ų | 133.5 | 59% | 0.588 | 82% | 0.819 | S | S | * | * | | | cis | 176.2 | 125.3 | -8.3 | 0 | 0 | 0 | 0 | 0 | 107.6 | | |
| 27 | T | 30.8 | Very low | 30.5 | Very low | 129 Ų | 129 | 132.4 Ų | 132.4 | 79% | 0.791 | 82% | 0.816 | S | S | * | * | | | | 66.3 | 84.3 | 73.4 | 60.9 | 0 | 0 | 0 | 0 | 117.1 | | |
| 28 | A | 30.1 | Very low | 30.4 | Very low | 111 Ų | 111 | 131.4 Ų | 131.4 | 92% | 0.917 | 82% | 0.816 | S | S | * | * | | | trans | -178.1 | 148.3 | 142.4 | 0 | 0 | 0 | 0 | 0 | 108.9 | | |
| 29 | G | 28 | Very low | 31 | Very low | 72 Ų | 72 | 132.8 Ų | 132.8 | 74% | 0.742 | 82% | 0.817 | S | S | * | * | | | cis | -170.8 | 130.5 | -15.9 | 0 | 0 | 0 | 0 | 0 | 106.9 | | |
| 30 | A | 28.5 | Very low | 31.9 | Very low | 111 Ų | 111 | 131.4 Ų | 131.4 | 92% | 0.917 | 82% | 0.817 | S | S | * | * | | | | 84 | 72.5 | 63.2 | 0 | 0 | 0 | 0 | 0 | 116.1 | | |
| 31 | A | 28.4 | Very low | 32.4 | Very low | 96 Ų | 96 | 135 Ų | 135 | 79% | 0.793 | 83% | 0.825 | S | S | * | * | | | trans | -170.6 | 115.9 | 152 | 0 | 0 | 0 | 0 | 0 | 109.5 | | |
| 32 | R | 28.1 | Very low | 33 | Very low | 235 Ų | 235 | 139.4 Ų | 139.4 | 89% | 0.887 | 83% | 0.83 | S | S | * | * | | | | 76.9 | 95.7 | 72.7 | -81.1 | -165.4 | 171.9 | -156.6 | -0.1 | 116.7 | | |
| 33 | C | 28.9 | Very low | 33.6 | Very low | 114 Ų | 114 | 132.5 Ų | 132.5 | 77% | 0.77 | 82% | 0.819 | S | S | * | * | | | trans | 52.8 | 119.5 | 131.9 | -49.9 | 0 | 0 | 0 | 0 | 121.2 | | |
| 34 | R | 28.5 | Very low | 34.4 | Very low | 253 Ų | 253 | 132.2 Ų | 132.2 | 96% | 0.955 | 82% | 0.817 | S | S | * | * | | | | -175.4 | 163 | 111.5 | -101.6 | 166.8 | -171.4 | -109.4 | 2.3 | 113.1 | | |
| 35 | S | 36 | Very low | 35 | Very low | 129 Ų | 129 | 125.7 Ų | 125.7 | 90% | 0.902 | 81% | 0.81 | S | S | * | * | | | trans | -82.7 | 148.1 | 175.4 | -41.8 | 0 | 0 | 0 | 0 | 112.1 | | |
| 36 | G | 29 | Very low | 35.1 | Very low | 78 Ų | 78 | 123.9 Ų | 123.9 | 80% | 0.804 | 80% | 0.8 | S | S | * | * | | | trans | -161.6 | 161.6 | 173.7 | 0 | 0 | 0 | 0 | 0 | 111.2 | | |
| 37 | S | 34.5 | Very low | 36 | Very low | 122 Ų | 122 | 126 Ų | 126 | 85% | 0.853 | 81% | 0.805 | S | S | * | * | | | trans | -138.5 | 122.8 | -164.8 | 58.5 | 0 | 0 | 0 | 0 | 115.8 | | |
| 38 | G | 27.4 | Very low | 36.7 | Very low | 76 Ų | 76 | 128.3 Ų | 128.3 | 78% | 0.784 | 81% | 0.807 | S | S | * | * | | | trans | 79 | 173.4 | 169.1 | 0 | 0 | 0 | 0 | 0 | 115.3 | | |
| 39 | P | 40.3 | Very low | 37.1 | Very low | 120 Ų | 120 | 128.9 Ų | 128.9 | 78% | 0.779 | 80% | 0.804 | S | S | * | * | | | cis | -109.3 | 175.7 | -6.4 | 40.4 | -30.4 | 0 | 0 | 0 | 112.9 | | |
| 40 | P | 45.8 | Very low | 37.7 | Very low | 122 Ų | 122 | 137.5 Ų | 137.5 | 79% | 0.792 | 81% | 0.814 | S | S | * | * | P | Polyproline II helix | trans | -78.9 | 143.4 | 175.4 | 31.6 | -35.2 | 0 | 0 | 0 | 113.5 | | |
| 41 | E | 39.8 | Very low | 38.3 | Very low | 192 Ų | 192 | 137.8 Ų | 137.8 | 90% | 0.897 | 81% | 0.809 | S | S | * | * | P | Polyproline II helix | trans | -78.4 | 167.8 | -177.7 | -61.1 | -176.6 | 121.1 | 0 | 0 | 114.3 | | |
| 42 | K | 43.8 | Very low | 38.8 | Very low | 202 Ų | 202 | 137 Ų | 137 | 88% | 0.878 | 81% | 0.811 | S | S | * | * | P | Polyproline II helix | trans | -96.9 | 149.1 | 179.6 | -62.6 | 172.7 | -175.2 | 170 | 0 | 110.8 | S44 | K42-S44 PolarHBondContact O-N 3.37Š|
| 43 | C | 41.2 | Very low | 39.4 | Very low | 100 Ų | 100 | 132.3 Ų | 132.3 | 68% | 0.676 | 81% | 0.814 | S | S | * | * | P | Polyproline II helix | trans | -65.2 | 126.1 | 171.6 | -172.5 | 0 | 0 | 0 | 0 | 110.6 | A45 | C43-A45 VanDerWaalsContact C-N 3.3Å; C43-A45 PolarHBondContact O-N 3.31Å |
| 44 | S | 47.7 | Very low | 39.8 | Very low | 107 Ų | 107 | 130.2 Ų | 130.2 | 75% | 0.748 | 81% | 0.812 | S | S | * | * | S | Bend | trans | -77.6 | -6.3 | -176.4 | 47 | 0 | 0 | 0 | 0 | 114.9 | K42 C46 S47 | K42-S44 PolarHBondContact O-N 3.37Å; S44-C46 VanDerWaalsContact C-N 3.32Å; S44-C46 PolarHBondContact O-N 3Å; S44-S47 PolarHBondContact O-OG 3.49Å |
| 45 | A | 46.5 | Very low | 40.8 | Very low | 85 Ų | 85 | 125.7 Ų | 125.7 | 70% | 0.702 | 81% | 0.813 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -87.8 | 20.4 | -172.8 | 0 | 0 | 0 | 0 | 0 | 115.2 | C43 | C43-A45 VanDerWaalsContact C-N 3.3Å; C43-A45 PolarHBondContact O-N 3.31Å |
| 46 | C | 46.5 | Very low | 41 | Very low | 91 Ų | 91 | 123 Ų | 123 | 62% | 0.615 | 81% | 0.806 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -143.4 | 17.8 | -173.6 | -58.6 | 0 | 0 | 0 | 0 | 114.5 | S44 | S44-C46 VanDerWaalsContact C-N 3.32Å; S44-C46 PolarHBondContact O-N 3Å |
| 47 | S | 47 | Very low | 42 | Very low | 100 Ų | 100 | 126.5 Ų | 126.5 | 70% | 0.699 | 81% | 0.812 | S | S | * | * | S | Bend | trans | -89.7 | -16.9 | -170.3 | 40.9 | 0 | 0 | 0 | 0 | 116.1 | S44 | S44-S47 PolarHBondContact O-OG 3.49Š|
| 48 | E | 44.8 | Very low | 42.3 | Very low | 179 Ų | 179 | 124.4 Ų | 124.4 | 84% | 0.836 | 80% | 0.802 | S | S | * | * | S | Bend | trans | -132 | 87.9 | -170.8 | -65.7 | -172.4 | 118.5 | 0 | 0 | 113.2 | | |
| 49 | S | 38.8 | Very low | 43.4 | Very low | 122 Ų | 122 | 124.1 Ų | 124.1 | 85% | 0.853 | 79% | 0.787 | S | S | * | * | | | trans | 176.6 | 104.7 | 150.3 | 28.3 | 0 | 0 | 0 | 0 | 109 | | |
| 50 | R | 39.5 | Very low | 44 | Very low | 253 Ų | 253 | 123.1 Ų | 123.1 | 96% | 0.955 | 78% | 0.783 | S | S | * | * | | | trans | -139.1 | 53.4 | -179.3 | -158.8 | -177 | -176.8 | -120.5 | -1.7 | 112.6 | | |
| 51 | S | 41.6 | Very low | 44.2 | Very low | 117 Ų | 117 | 128.3 Ų | 128.3 | 82% | 0.818 | 79% | 0.787 | S | S | * | * | | | trans | -158.4 | 119.5 | -179.8 | 51 | 0 | 0 | 0 | 0 | 111.4 | | |
| 52 | G | 39 | Very low | 44.5 | Very low | 81 Ų | 81 | 122.8 Ų | 122.8 | 84% | 0.835 | 77% | 0.768 | S | S | * | * | S | Bend | trans | 95.2 | 134.8 | 164.7 | 0 | 0 | 0 | 0 | 0 | 116.5 | | |
| 53 | S | 41.6 | Very low | 44.6 | Very low | 136 Ų | 136 | 119.5 Ų | 119.5 | 95% | 0.951 | 76% | 0.759 | S | S | * | * | | | trans | -39.4 | 139.2 | 173.3 | -171.2 | 0 | 0 | 0 | 0 | 116.3 | | |
| 54 | G | 37.3 | Very low | 44.5 | Very low | 70 Ų | 70 | 119 Ų | 119 | 72% | 0.722 | 76% | 0.763 | S | S | * | * | | | trans | 157.2 | 141.3 | 165.3 | 0 | 0 | 0 | 0 | 0 | 114.8 | G56 | G54-G56 PolarHBondContact O-N 2.99Š|
| 55 | T | 49.7 | Very low | 44.3 | Very low | 157 Ų | 157 | 125.2 Ų | 125.2 | 96% | 0.963 | 77% | 0.77 | S | S | * | * | | | trans | -65.6 | 117.2 | 171.8 | 44.2 | 0 | 0 | 0 | 0 | 111.2 | | |
| 56 | G | 39.5 | Very low | 43.8 | Very low | 74 Ų | 74 | 132.1 Ų | 132.1 | 76% | 0.763 | 78% | 0.778 | S | S | * | * | | | trans | -131 | 138.3 | -179.7 | 0 | 0 | 0 | 0 | 0 | 113.4 | G54 | G54-G56 PolarHBondContact O-N 2.99Š|
| 57 | T | 49 | Very low | 43.4 | Very low | 151 Ų | 151 | 133.8 Ų | 133.8 | 93% | 0.926 | 79% | 0.785 | S | S | * | * | P | Polyproline II helix | trans | -72.4 | 129.6 | -168.6 | -44.6 | 0 | 0 | 0 | 0 | 113.5 | | |
| 58 | A | 42.6 | Very low | 43 | Very low | 78 Ų | 78 | 134.9 Ų | 134.9 | 65% | 0.645 | 79% | 0.79 | S | S | * | * | P | Polyproline II helix | trans | -75.2 | 135.7 | -178.7 | 0 | 0 | 0 | 0 | 0 | 113.5 | S60 | A58-S60 PolarHBondContact O-N 3.22Š|
| 59 | C | 49.7 | Very low | 42.3 | Very low | 70 Ų | 70 | 130 Ų | 130 | 47% | 0.473 | 79% | 0.788 | S | S | . | * | P | Polyproline II helix | trans | -66.1 | 120.6 | 179.9 | -175.4 | 0 | 0 | 0 | 0 | 112.6 | R61 C62 | C59-R61 VanDerWaalsContact C-N 3.26Å; C59-R61 PolarHBondContact O-N 2.97Å; C59-C62 PolarHBondContact O-N 3.42Å |
| 60 | S | 52.7 | Low | 41.9 | Very low | 99 Ų | 99 | 134.5 Ų | 134.5 | 69% | 0.692 | 79% | 0.786 | S | S | * | * | G | 310 helix | trans | -58.9 | -30.5 | -177.7 | 57 | 0 | 0 | 0 | 0 | 114.3 | A58 C62 | A58-S60 PolarHBondContact O-N 3.22Å; S60-C62 VanDerWaalsContact C-N 3.26Å; S60-C62 PolarHBondContact O-N 2.98Å |
| 61 | R | 50.3 | Low | 41.5 | Very low | 231 Ų | 231 | 129.7 Ų | 129.7 | 87% | 0.872 | 77% | 0.774 | S | S | * | * | G | 310 helix | trans | -70.4 | -15.1 | 177.3 | -80.3 | -177.5 | 165.7 | 171.6 | -3.8 | 114.2 | C59 | C59-R61 VanDerWaalsContact C-N 3.26Å; C59-R61 PolarHBondContact O-N 2.97Å |
| 62 | C | 44.8 | Very low | 41 | Very low | 75 Ų | 75 | 131.8 Ų | 131.8 | 51% | 0.507 | 77% | 0.771 | S | S | . | * | G | 310 helix | trans | -91.8 | -17.5 | -178.6 | -65.9 | 0 | 0 | 0 | 0 | 114.3 | C59 S60 | C59-C62 PolarHBondContact O-N 3.42Å; S60-C62 VanDerWaalsContact C-N 3.26Å; S60-C62 PolarHBondContact O-N 2.98Å |
| 63 | L | 47.6 | Very low | 40.7 | Very low | 133 Ų | 133 | 137.2 Ų | 137.2 | 70% | 0.696 | 77% | 0.766 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -78.7 | -21.7 | -172.8 | -71 | 168.5 | 0 | 0 | 0 | 114.1 | R65 | L63-R65 PolarHBondContact O-N 3.3Š|
| 64 | A | 38.5 | Very low | 40.2 | Very low | 91 Ų | 91 | 137 Ų | 137 | 75% | 0.752 | 75% | 0.753 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -85.9 | 8.8 | -171.3 | 0 | 0 | 0 | 0 | 0 | 116 | | |
| 65 | R | 44.3 | Very low | 40 | Very low | 237 Ų | 237 | 143.8 Ų | 143.8 | 89% | 0.894 | 76% | 0.757 | S | S | * | * | S | Bend | trans | -139.8 | 49.1 | -173.1 | -77.2 | -166.1 | 167 | -145.9 | -1 | 115.7 | L63 | L63-R65 PolarHBondContact O-N 3.3Š|
| 66 | R | 35.6 | Very low | 39.2 | Very low | 229 Ų | 229 | 147.8 Ų | 147.8 | 86% | 0.864 | 76% | 0.755 | S | S | * | * | | | trans | -149.3 | 141.6 | 168.1 | -63.7 | -168.1 | -172.2 | -143.3 | 4.4 | 107.4 | | |
| 67 | V | 36.7 | Very low | 38.9 | Very low | 126 Ų | 126 | 155.7 Ų | 155.7 | 76% | 0.764 | 76% | 0.761 | S | S | * | * | | | cis | -144.5 | 152.8 | 2.9 | -177.5 | 0 | 0 | 0 | 0 | 108.6 | | |
| 68 | P | 38.8 | Very low | 38 | Very low | 124 Ų | 124 | 153.1 Ų | 153.1 | 81% | 0.805 | 75% | 0.749 | S | S | * | * | | | trans | -98.7 | 124.1 | 165.5 | 34.9 | -29 | 0 | 0 | 0 | 114.4 | | |
| 69 | G | 29.9 | Very low | 37.7 | Very low | 77 Ų | 77 | 156.9 Ų | 156.9 | 79% | 0.794 | 76% | 0.759 | S | S | * | * | | | trans | 97.2 | 127.4 | 138.8 | 0 | 0 | 0 | 0 | 0 | 121.9 | | |
| 70 | R | 30.4 | Very low | 37.5 | Very low | 216 Ų | 216 | 159.7 Ų | 159.7 | 82% | 0.815 | 78% | 0.776 | S | S | * | * | | | trans | 102.6 | 120.6 | 142.5 | -162 | 170.2 | -173.5 | -107.2 | -18.9 | 120.8 | | |
| 71 | E | 33.1 | Very low | 36.8 | Very low | 152 Ų | 152 | 163.9 Ų | 163.9 | 71% | 0.71 | 79% | 0.785 | S | S | * | * | | | trans | 17.5 | 127.6 | 153.3 | -58.8 | 170.9 | 87.4 | 0 | 0 | 121.8 | | |
| 72 | E | 30.1 | Very low | 36 | Very low | 161 Ų | 161 | 164.9 Ų | 164.9 | 75% | 0.752 | 79% | 0.789 | S | S | * | * | | | | -153.5 | 153.1 | 96.1 | -171.6 | 153.5 | -170 | 0 | 0 | 114.2 | | |
| 73 | R | 32.7 | Very low | 35.3 | Very low | 194 Ų | 194 | 164.6 Ų | 164.6 | 73% | 0.732 | 80% | 0.798 | S | S | * | * | | | trans | -43.1 | 140.1 | 167.9 | 172.9 | -154.6 | -71.1 | 133.9 | -15.4 | 116.9 | | |
| 74 | I | 31 | Very low | 34.8 | Very low | 132 Ų | 132 | 164.4 Ų | 164.4 | 68% | 0.677 | 81% | 0.808 | S | S | * | * | | | | 179.1 | 135.2 | 129.8 | -96.7 | 160.7 | 0 | 0 | 0 | 115.6 | | |
| 75 | R | 32.2 | Very low | 34.6 | Very low | 213 Ų | 213 | 165.5 Ų | 165.5 | 80% | 0.804 | 81% | 0.81 | S | S | * | * | | | trans | 41.5 | 115.2 | 155.1 | -63.7 | 174 | -176.4 | 112.6 | -1.7 | 124.4 | | |
| 76 | R | 34 | Very low | 34.6 | Very low | 241 Ų | 241 | 166.1 Ų | 166.1 | 91% | 0.909 | 81% | 0.812 | S | S | * | * | | | trans | 14.4 | 128.5 | 131.3 | -61.9 | -177.6 | 177.8 | -172.9 | -0.6 | 121.1 | | |
| 77 | R | 32.2 | Very low | 34.6 | Very low | 240 Ų | 240 | 160.3 Ų | 160.3 | 91% | 0.906 | 81% | 0.813 | S | S | * | * | | | trans | 169.5 | 144.2 | 134.5 | -95.3 | 165.7 | -166.6 | -90.7 | 6.4 | 107 | | |
| 78 | S | 31.1 | Very low | 34.5 | Very low | 96 Ų | 96 | 158 Ų | 158 | 67% | 0.671 | 81% | 0.814 | S | S | * | * | | | cis | 169.2 | 134.1 | -15.6 | 41.9 | 0 | 0 | 0 | 0 | 104.8 | | |
| 79 | D | 35.3 | Very low | 34.5 | Very low | 157 Ų | 157 | 162.4 Ų | 162.4 | 84% | 0.84 | 82% | 0.821 | S | S | * | * | | | trans | -70 | 160 | -173.5 | -49.2 | -93.7 | 0 | 0 | 0 | 114.6 | | |
| 80 | P | 46.5 | Very low | 35.2 | Very low | 130 Ų | 130 | 168.8 Ų | 168.8 | 84% | 0.844 | 82% | 0.821 | S | S | * | * | | | trans | -105 | 103.5 | 160.3 | 34.7 | -24.8 | 0 | 0 | 0 | 111.8 | | |
| 81 | E | 37.5 | Very low | 35.6 | Very low | 186 Ų | 186 | 164.8 Ų | 164.8 | 87% | 0.869 | 82% | 0.816 | S | S | * | * | | | trans | -87.7 | 130.5 | 160.8 | -81.5 | -149.8 | 141.8 | 0 | 0 | 111.5 | | |
| 82 | R | 33.3 | Very low | 35.7 | Very low | 253 Ų | 253 | 162.5 Ų | 162.5 | 96% | 0.955 | 82% | 0.817 | S | S | * | * | | | trans | -179.7 | 141 | 148 | -102.8 | 163.4 | -169 | -107.7 | 1.8 | 109.6 | | |
| 83 | G | 31.4 | Very low | 35.9 | Very low | 68 Ų | 68 | 163.6 Ų | 163.6 | 70% | 0.701 | 82% | 0.822 | S | S | * | * | | | cis | 147 | 136.8 | -11.5 | 0 | 0 | 0 | 0 | 0 | 113.5 | | |
| 84 | S | 35.3 | Very low | 35.8 | Very low | 129 Ų | 129 | 158.8 Ų | 158.8 | 90% | 0.902 | 82% | 0.818 | S | S | * | * | | | trans | 70 | 160.1 | 176.7 | -128.3 | 0 | 0 | 0 | 0 | 115.6 | | |
| 85 | S | 35.8 | Very low | 36.1 | Very low | 115 Ų | 115 | 162.2 Ų | 162.2 | 80% | 0.804 | 82% | 0.823 | S | S | * | * | | | cis | -140.3 | -173.9 | 7.5 | 65.1 | 0 | 0 | 0 | 0 | 113.4 | | |
| 86 | R | 43.8 | Very low | 36.3 | Very low | 250 Ų | 250 | 162.4 Ų | 162.4 | 94% | 0.943 | 82% | 0.824 | S | S | * | * | | | trans | -119.7 | 156.4 | -164.9 | -57.5 | 170.8 | 172.2 | 172.3 | -3.9 | 114.4 | | |
| 87 | A | 34.6 | Very low | 36.2 | Very low | 106 Ų | 106 | 154.6 Ų | 154.6 | 88% | 0.876 | 82% | 0.818 | S | S | * | * | | | | -170.7 | 152.5 | 129.9 | 0 | 0 | 0 | 0 | 0 | 111.2 | | |
| 88 | G | 36.3 | Very low | 36.3 | Very low | 77 Ų | 77 | 150.3 Ų | 150.3 | 79% | 0.794 | 82% | 0.818 | S | S | * | * | | | cis | 139.5 | 85.1 | -19.1 | 0 | 0 | 0 | 0 | 0 | 117 | | |
| 89 | K | 38.5 | Very low | 36.4 | Very low | 217 Ų | 217 | 154.5 Ų | 154.5 | 94% | 0.943 | 82% | 0.824 | S | S | * | * | | | trans | -159.9 | 170.2 | 156.3 | -123.3 | -179.9 | -178.5 | -175.4 | 0 | 113.1 | | |
| 90 | R | 45.2 | Very low | 36.3 | Very low | 212 Ų | 212 | 153.6 Ų | 153.6 | 80% | 0.8 | 82% | 0.824 | S | S | * | * | | | trans | -154.1 | 168.8 | -163.3 | -141.3 | -164.3 | -59.7 | -171.3 | 6 | 112.1 | | |
| 91 | D | 37.4 | Very low | 35.4 | Very low | 131 Ų | 131 | 152.2 Ų | 152.2 | 70% | 0.701 | 82% | 0.816 | S | S | * | * | | | trans | 68.8 | 156.6 | 158.6 | -49.5 | -34 | 0 | 0 | 0 | 118.5 | | |
| 92 | S | 35.6 | Very low | 35.6 | Very low | 105 Ų | 105 | 149.3 Ų | 149.3 | 73% | 0.734 | 81% | 0.814 | S | S | * | * | | | cis | -169.8 | 137 | -28.6 | 55.1 | 0 | 0 | 0 | 0 | 113.6 | | |
| 93 | E | 33.3 | Very low | 35.4 | Very low | 183 Ų | 183 | 144 Ų | 144 | 86% | 0.855 | 81% | 0.81 | S | S | * | * | | | trans | 60.5 | 118.5 | 140 | -162 | 159.4 | -169.6 | 0 | 0 | 126.1 | | |
| 94 | S | 32.3 | Very low | 35.6 | Very low | 94 Ų | 94 | 148.5 Ų | 148.5 | 66% | 0.657 | 82% | 0.817 | S | S | * | * | | | trans | 61.4 | 126.5 | 138.6 | -160.5 | 0 | 0 | 0 | 0 | 125 | | |
| 95 | R | 36.7 | Very low | 36.1 | Very low | 204 Ų | 204 | 147.5 Ų | 147.5 | 77% | 0.77 | 81% | 0.807 | S | S | * | * | | | | 173.7 | 132.9 | 107.2 | -92.6 | 179.6 | -177.3 | -139.1 | 1.6 | 117.3 | | |
| 96 | R | 35.5 | Very low | 35.9 | Very low | 217 Ų | 217 | 150.9 Ų | 150.9 | 82% | 0.819 | 81% | 0.808 | S | S | * | * | | | trans | 48 | 131.8 | 138.9 | -58 | 177.9 | -174.4 | -95.7 | -1.2 | 124.7 | | |
| 97 | G | 33.3 | Very low | 35.4 | Very low | 76 Ų | 76 | 144 Ų | 144 | 78% | 0.784 | 80% | 0.798 | S | S | * | * | | | trans | 93.8 | 157.2 | 143.4 | 0 | 0 | 0 | 0 | 0 | 117.6 | | |
| 98 | V | 34.2 | Very low | 35.3 | Very low | 151 Ų | 151 | 142.7 Ų | 142.7 | 92% | 0.915 | 79% | 0.787 | S | S | * | * | | | cis | -147.1 | 163.9 | -14.6 | 177.8 | 0 | 0 | 0 | 0 | 107.8 | | |
| 99 | F | 33.3 | Very low | 35 | Very low | 184 Ų | 184 | 147 Ų | 147 | 81% | 0.807 | 79% | 0.791 | S | S | * | * | | | trans | -107.7 | 130.7 | -172 | -141.9 | -80.6 | 0 | 0 | 0 | 112.9 | | |
| 100 | V | 32 | Very low | 34.8 | Very low | 137 Ų | 137 | 141 Ų | 141 | 83% | 0.83 | 78% | 0.782 | S | S | * | * | | | trans | -148.5 | 149 | 166.3 | -173.3 | 0 | 0 | 0 | 0 | 109.8 | | |
| 101 | C | 28.1 | Very low | 35.3 | Very low | 101 Ų | 101 | 137 Ų | 137 | 68% | 0.682 | 78% | 0.784 | S | S | * | * | | | trans | -102.7 | 159.3 | -177.7 | -64.3 | 0 | 0 | 0 | 0 | 113.5 | | |
| 102 | P | 42.7 | Very low | 34.9 | Very low | 126 Ų | 126 | 135.9 Ų | 135.9 | 82% | 0.818 | 79% | 0.793 | S | S | * | * | | | trans | -94.9 | 165 | -175.4 | 37.7 | -36.6 | 0 | 0 | 0 | 115.1 | | |
| 103 | T | 29 | Very low | 34.7 | Very low | 142 Ų | 142 | 135.3 Ų | 135.3 | 87% | 0.871 | 80% | 0.795 | S | S | * | * | | | trans | -132.5 | 152.6 | 174.5 | 45.1 | 0 | 0 | 0 | 0 | 113 | | |
| 104 | L | 34.7 | Very low | 35.8 | Very low | 161 Ų | 161 | 132.2 Ų | 132.2 | 84% | 0.843 | 79% | 0.791 | S | S | * | * | | | trans | -79.8 | 172.2 | 172.2 | -105.1 | 94.4 | 0 | 0 | 0 | 111.2 | | |
| 105 | P | 46.3 | Very low | 35.6 | Very low | 109 Ų | 109 | 133.4 Ų | 133.4 | 71% | 0.708 | 80% | 0.799 | S | S | * | * | | | cis | -159.4 | -177.1 | 47.7 | 44.9 | -22.4 | 0 | 0 | 0 | 121.1 | | |
| 106 | K | 30.5 | Very low | 35.3 | Very low | 186 Ų | 186 | 127.6 Ų | 127.6 | 81% | 0.809 | 80% | 0.795 | S | S | * | * | | | trans | 63.6 | 127.4 | 149 | -84 | -174.9 | 172 | -175.8 | 0 | 120 | | |
| 107 | S | 33.3 | Very low | 35.4 | Very low | 105 Ų | 105 | 126.9 Ų | 126.9 | 73% | 0.734 | 80% | 0.797 | S | S | * | * | | | | 87.3 | 142 | 61.9 | 83.7 | 0 | 0 | 0 | 0 | 113.5 | | |
| 108 | A | 33.4 | Very low | 35.7 | Very low | 78 Ų | 78 | 131 Ų | 131 | 65% | 0.645 | 80% | 0.801 | S | S | * | * | | | cis | -158.7 | -169.9 | 13.1 | 0 | 0 | 0 | 0 | 0 | 113.5 | | |
| 109 | D | 29.2 | Very low | 35.7 | Very low | 167 Ų | 167 | 134.1 Ų | 134.1 | 89% | 0.893 | 80% | 0.802 | S | S | * | * | | | trans | 82.9 | 156.5 | 152.9 | -57.7 | -36.1 | 0 | 0 | 0 | 124.2 | | |
| 110 | A | 34.4 | Very low | 35.9 | Very low | 91 Ų | 91 | 132.5 Ų | 132.5 | 75% | 0.752 | 80% | 0.801 | S | S | * | * | | | trans | -158.3 | -163.6 | -174.3 | 0 | 0 | 0 | 0 | 0 | 107.3 | | |
| 111 | P | 55.3 | Low | 35.9 | Very low | 129 Ų | 129 | 134.2 Ų | 134.2 | 84% | 0.838 | 80% | 0.804 | S | S | * | * | | | cis | -134.7 | 177.7 | -8.5 | 43.3 | -26.8 | 0 | 0 | 0 | 115.4 | | |
| 112 | A | 29.1 | Very low | 36.2 | Very low | 107 Ų | 107 | 133.3 Ų | 133.3 | 88% | 0.884 | 80% | 0.804 | S | S | * | * | | | trans | -162.1 | 166.9 | 160.1 | 0 | 0 | 0 | 0 | 0 | 112.5 | | |
| 113 | A | 31.3 | Very low | 35.6 | Very low | 94 Ų | 94 | 132.9 Ų | 132.9 | 78% | 0.777 | 80% | 0.804 | S | S | * | * | | | trans | -154 | -166.8 | -176.9 | 0 | 0 | 0 | 0 | 0 | 110.6 | | |
| 114 | P | 56.5 | Low | 35.8 | Very low | 118 Ų | 118 | 132.5 Ų | 132.5 | 77% | 0.766 | 80% | 0.797 | S | S | * | * | | | | -124.1 | 179.7 | -61.6 | 36.5 | -22.9 | 0 | 0 | 0 | 113.1 | | |
| 115 | S | 29.5 | Very low | 36.1 | Very low | 118 Ų | 118 | 132.7 Ų | 132.7 | 83% | 0.825 | 80% | 0.799 | S | S | * | * | | | | 165.2 | 151.4 | 127.7 | 55.9 | 0 | 0 | 0 | 0 | 118.1 | | |
| 116 | A | 30.4 | Very low | 36.2 | Very low | 83 Ų | 83 | 137.6 Ų | 137.6 | 69% | 0.686 | 80% | 0.803 | S | S | * | * | | | trans | 75.8 | 121.1 | 137.1 | 0 | 0 | 0 | 0 | 0 | 125.3 | | |
| 117 | K | 37 | Very low | 36.8 | Very low | 201 Ų | 201 | 136 Ų | 136 | 87% | 0.874 | 80% | 0.799 | S | S | * | * | | | trans | 90.7 | 101.7 | 136.3 | -70.6 | 168.4 | -176 | 175.8 | 0 | 122.5 | | |
| 118 | L | 38.9 | Very low | 37.1 | Very low | 163 Ų | 163 | 140 Ų | 140 | 85% | 0.853 | 81% | 0.806 | S | S | * | * | | | trans | 0.3 | 134.8 | 139.6 | -79.4 | 157.7 | 0 | 0 | 0 | 120.8 | | |
| 119 | K | 34.9 | Very low | 37.7 | Very low | 216 Ų | 216 | 144 Ų | 144 | 94% | 0.939 | 82% | 0.815 | S | S | * | * | | | | -154.4 | 164.2 | 116.9 | -112.3 | 173.3 | -175.6 | 179.8 | 0 | 111.4 | | |
| 120 | L | 38.1 | Very low | 38.5 | Very low | 151 Ų | 151 | 145 Ų | 145 | 79% | 0.791 | 81% | 0.806 | S | S | * | * | | | trans | -128 | 134 | -167.8 | -167.5 | -179.7 | 0 | 0 | 0 | 109.2 | | |
| 121 | L | 32.3 | Very low | 38.8 | Very low | 172 Ų | 172 | 149.6 Ų | 149.6 | 90% | 0.901 | 81% | 0.809 | S | S | * | * | | | trans | -159.6 | 166.8 | 151.8 | -109.9 | 170.3 | 0 | 0 | 0 | 110.5 | | |
| 122 | A | 34.3 | Very low | 38 | Very low | 83 Ų | 83 | 155.3 Ų | 155.3 | 69% | 0.686 | 81% | 0.814 | S | S | * | * | | | trans | -117 | -163.1 | -170.5 | 0 | 0 | 0 | 0 | 0 | 112.9 | | |
| 123 | S | 29.8 | Very low | 38.4 | Very low | 117 Ų | 117 | 155.5 Ų | 155.5 | 82% | 0.818 | 81% | 0.808 | S | S | * | * | | | trans | 81.3 | 145.4 | -170.5 | -50.9 | 0 | 0 | 0 | 0 | 114 | | |
| 124 | D | 32.5 | Very low | 38.7 | Very low | 134 Ų | 134 | 156.5 Ų | 156.5 | 72% | 0.717 | 81% | 0.809 | S | S | * | * | | | cis | -145.5 | 152.3 | -0.4 | -147.8 | -44.2 | 0 | 0 | 0 | 110.5 | | |
| 125 | D | 42.2 | Very low | 38 | Very low | 164 Ų | 164 | 158.8 Ų | 158.8 | 88% | 0.877 | 81% | 0.814 | S | S | * | * | | | trans | -158 | 68.5 | 177.1 | -172.3 | 18.2 | 0 | 0 | 0 | 111.3 | | |
| 126 | R | 46.9 | Very low | 38.3 | Very low | 213 Ų | 213 | 162 Ų | 162 | 80% | 0.804 | 82% | 0.818 | S | S | * | * | | | trans | -146.5 | 28 | -171.6 | -145.5 | -166.7 | 175.3 | -166.1 | -0.9 | 117.4 | | |
| 127 | E | 42.6 | Very low | 38.4 | Very low | 153 Ų | 153 | 162 Ų | 162 | 72% | 0.715 | 83% | 0.826 | S | S | * | * | | | trans | -107 | -32.7 | -169.6 | -66.9 | -113 | 99.1 | 0 | 0 | 116.2 | I129 R130 | E127-I129 VanDerWaalsContact C-N 3.35Å; E127-I129 PolarHBondContact O-N 3.18Å; E127-R130 IonicContact OE1-NH2 3.26Å |
| 128 | E | 41.1 | Very low | 38.3 | Very low | 188 Ų | 188 | 159.9 Ų | 159.9 | 88% | 0.879 | 82% | 0.816 | S | S | * | * | G | 310 helix | trans | -66.6 | -25.4 | -168.2 | -75.2 | -138.4 | 113.6 | 0 | 0 | 116 | R130 | E128-R130 VanDerWaalsContact C-N 3.3Å; E128-R130 PolarHBondContact O-N 3Å |
| 129 | I | 44.6 | Very low | 38 | Very low | 163 Ų | 163 | 159.3 Ų | 159.3 | 84% | 0.836 | 81% | 0.814 | S | S | * | * | G | 310 helix | trans | -70.7 | -19.7 | -166.7 | -62.8 | 175.7 | 0 | 0 | 0 | 113.4 | E127 K131 | E127-I129 VanDerWaalsContact C-N 3.35Å; E127-I129 PolarHBondContact O-N 3.18Å; I129-K131 PolarHBondContact O-N 2.83Å |
| 130 | R | 46.8 | Very low | 38 | Very low | 188 Ų | 188 | 155.9 Ų | 155.9 | 71% | 0.709 | 80% | 0.802 | S | S | * | * | G | 310 helix | trans | -80.1 | -6 | -172.1 | -85.3 | -175.3 | -73.6 | -160 | 0.4 | 116.4 | E127 E128 W132 | E127-R130 IonicContact OE1-NH2 3.26Å; E128-R130 VanDerWaalsContact C-N 3.3Å; E128-R130 PolarHBondContact O-N 3Å; R130-W132 PolarHBondContact O-N 3.31Å |
| 131 | K | 40.1 | Very low | 37.9 | Very low | 187 Ų | 187 | 154.7 Ų | 154.7 | 81% | 0.813 | 81% | 0.806 | S | S | * | * | G | 310 helix | trans | -79.3 | -11.5 | -167.8 | -161.1 | 163.1 | -177.8 | 172.2 | 0 | 116.4 | I129 | I129-K131 PolarHBondContact O-N 2.83Š|
| 132 | W | 39.1 | Very low | 37.7 | Very low | 249 Ų | 249 | 150.4 Ų | 150.4 | 94% | 0.943 | 80% | 0.803 | S | S | * | * | G | 310 helix | trans | -104 | 3.9 | -170.7 | -80.1 | 71.4 | 0 | 0 | 0 | 115.9 | R130 | R130-W132 PolarHBondContact O-N 3.31Š|
| 133 | S | 37.5 | Very low | 37.5 | Very low | 110 Ų | 110 | 152.3 Ų | 152.3 | 77% | 0.769 | 81% | 0.812 | S | S | * | * | | | trans | -98.6 | 11.8 | -168.2 | -162.9 | 0 | 0 | 0 | 0 | 116.4 | | |
| 134 | C | 37.9 | Very low | 37.7 | Very low | 116 Ų | 116 | 153.4 Ų | 153.4 | 78% | 0.784 | 81% | 0.813 | S | S | * | * | S | Bend | trans | -113.9 | 28.1 | -164.8 | -58.2 | 0 | 0 | 0 | 0 | 115.7 | | |
| 135 | L | 40.6 | Very low | 37.6 | Very low | 166 Ų | 166 | 158.8 Ų | 158.8 | 87% | 0.869 | 82% | 0.823 | S | S | * | * | S | Bend | trans | -134.3 | 8 | -176.4 | -95.2 | 173.6 | 0 | 0 | 0 | 116.9 | | |
| 136 | M | 36.9 | Very low | 37.1 | Very low | 186 Ų | 186 | 162.5 Ų | 162.5 | 92% | 0.916 | 83% | 0.825 | S | S | * | * | S | Bend | trans | -113.4 | 103.2 | 170.6 | -67.8 | -57.7 | -63.1 | 0 | 0 | 110 | K138 | M136-K138 PolarHBondContact O-N 3.19Š|
| 137 | G | 33.1 | Very low | 36.3 | Very low | 82 Ų | 82 | 156.9 Ų | 156.9 | 85% | 0.845 | 82% | 0.824 | S | S | * | * | | | trans | -72.3 | 119.6 | -178.8 | 0 | 0 | 0 | 0 | 0 | 113 | | |
| 138 | K | 35.1 | Very low | 35.9 | Very low | 157 Ų | 157 | 156 Ų | 156 | 68% | 0.683 | 83% | 0.829 | S | S | * | * | | | trans | -38 | 134.9 | 159.5 | 168.4 | -176.3 | 175.8 | 173.9 | 0 | 114.8 | M136 E140 | M136-K138 PolarHBondContact O-N 3.19Å; K138-E140 WeakPolarHBondContact CE-OE1 3.49Å; K138-E140 IonicContact NZ-OE1 3.98Å; K138-E140 PolarHBondContact NZ-OE1 3.21Å |
| 139 | D | 31.7 | Very low | 36 | Very low | 151 Ų | 151 | 155.1 Ų | 155.1 | 81% | 0.807 | 82% | 0.824 | S | S | * | * | | | trans | -148.1 | 110.1 | 133.2 | -89.4 | -39.9 | 0 | 0 | 0 | 105.5 | | |
| 140 | E | 34.3 | Very low | 36 | Very low | 144 Ų | 144 | 152.3 Ų | 152.3 | 67% | 0.673 | 82% | 0.817 | S | S | * | * | | | | 67.2 | 121 | 90 | -75.1 | -62.6 | 116.6 | 0 | 0 | 114.1 | K138 | K138-E140 WeakPolarHBondContact CE-OE1 3.49Å; K138-E140 IonicContact NZ-OE1 3.98Å; K138-E140 PolarHBondContact NZ-OE1 3.21Å |
| 141 | S | 36.1 | Very low | 35.6 | Very low | 125 Ų | 125 | 146.7 Ų | 146.7 | 87% | 0.874 | 82% | 0.817 | S | S | * | * | | | trans | -124.7 | 132.4 | -166.7 | -68.5 | 0 | 0 | 0 | 0 | 112.6 | | |
| 142 | G | 29.3 | Very low | 35.5 | Very low | 82 Ų | 82 | 143.4 Ų | 143.4 | 85% | 0.845 | 81% | 0.813 | S | S | * | * | | | trans | 125.8 | 103.3 | 148.8 | 0 | 0 | 0 | 0 | 0 | 117 | | |
| 143 | S | 28.6 | Very low | 35.5 | Very low | 124 Ų | 124 | 139 Ų | 139 | 87% | 0.867 | 81% | 0.807 | S | S | * | * | | | trans | -152 | 130.9 | 146.7 | -162.2 | 0 | 0 | 0 | 0 | 110.5 | | |
| 144 | V | 34.2 | Very low | 35.9 | Very low | 140 Ų | 140 | 139.1 Ų | 139.1 | 85% | 0.848 | 81% | 0.808 | S | S | * | * | | | trans | -96.4 | 116.4 | -177.7 | 173.8 | 0 | 0 | 0 | 0 | 110.1 | | |
| 145 | R | 31 | Very low | 36 | Very low | 247 Ų | 247 | 140.6 Ų | 140.6 | 93% | 0.932 | 81% | 0.808 | S | S | * | * | | | trans | -144.4 | 165.2 | 151.4 | -74.3 | -153.2 | 178.3 | -150.7 | -1.4 | 111.7 | | |
| 146 | R | 30.8 | Very low | 36.2 | Very low | 242 Ų | 242 | 137.6 Ų | 137.6 | 91% | 0.913 | 80% | 0.801 | S | S | * | * | | | trans | -83 | 150.8 | -164.7 | -57.9 | 174 | -178.9 | 154.7 | -2 | 113.4 | | |
| 147 | A | 32.1 | Very low | 36.6 | Very low | 94 Ų | 94 | 137.4 Ų | 137.4 | 78% | 0.777 | 80% | 0.798 | S | S | * | * | | | trans | 45.1 | 114.8 | 141.2 | 0 | 0 | 0 | 0 | 0 | 120 | | |
| 148 | V | 33.2 | Very low | 37.3 | Very low | 135 Ų | 135 | 139.7 Ų | 139.7 | 82% | 0.818 | 79% | 0.791 | S | S | * | * | | | | -166.6 | 139.7 | 111.3 | 142.1 | 0 | 0 | 0 | 0 | 108.3 | P150 | V148-P150 WeakPolarHBondContact O-CD 3.25Š|
| 149 | E | 43 | Very low | 38.4 | Very low | 169 Ų | 169 | 139.8 Ų | 139.8 | 79% | 0.79 | 79% | 0.794 | S | S | * | * | | | trans | -76.6 | 124.6 | 175 | -100.4 | -70.8 | 164.1 | 0 | 0 | 111.6 | | |
| 150 | P | 44 | Very low | 39.7 | Very low | 104 Ų | 104 | 139.7 Ų | 139.7 | 68% | 0.675 | 79% | 0.788 | S | S | * | * | | | trans | -107.2 | 73.1 | 168.4 | 37 | -24 | 0 | 0 | 0 | 110.2 | V148 V152 | V148-P150 WeakPolarHBondContact O-CD 3.25Å; P150-V152 PolarHBondContact O-N 3.26Å |
| 151 | G | 40.2 | Very low | 40.6 | Very low | 70 Ų | 70 | 138.8 Ų | 138.8 | 72% | 0.722 | 80% | 0.795 | S | S | * | * | | | trans | -65.5 | 116.9 | 175 | 0 | 0 | 0 | 0 | 0 | 111.8 | | |
| 152 | V | 37.9 | Very low | 40.8 | Very low | 119 Ų | 119 | 139.3 Ų | 139.3 | 72% | 0.721 | 79% | 0.786 | S | S | * | * | | | trans | -130.5 | 103.3 | 179.9 | -172.9 | 0 | 0 | 0 | 0 | 111.5 | P150 | P150-V152 PolarHBondContact O-N 3.26Š|
| 153 | L | 39.2 | Very low | 41.5 | Very low | 155 Ų | 155 | 140.9 Ų | 140.9 | 81% | 0.812 | 79% | 0.785 | S | S | * | * | | | trans | 45.6 | 113.4 | 144.4 | -51.4 | 177.1 | 0 | 0 | 0 | 118.9 | | |
| 154 | S | 45.4 | Very low | 42.4 | Very low | 113 Ų | 113 | 145.5 Ų | 145.5 | 79% | 0.79 | 78% | 0.783 | S | S | * | * | | | trans | -76.6 | 121.1 | 156.6 | -179.1 | 0 | 0 | 0 | 0 | 109.9 | | |
| 155 | D | 40.4 | Very low | 43.1 | Very low | 147 Ų | 147 | 148.5 Ų | 148.5 | 79% | 0.786 | 78% | 0.779 | S | S | * | * | | | trans | -105.7 | 67.5 | 179.2 | 58.3 | -23.9 | 0 | 0 | 0 | 111.6 | E157 | D155-E157 PolarHBondContact O-N 3.43Š|
| 156 | S | 43.4 | Very low | 43.8 | Very low | 103 Ų | 103 | 143.2 Ų | 143.2 | 72% | 0.72 | 77% | 0.768 | S | S | * | * | | | trans | -73.3 | 67.5 | 179.3 | 43.1 | 0 | 0 | 0 | 0 | 113.5 | N158 | S156-N158 PolarHBondContact O-N 3.18Š|
| 157 | E | 46.6 | Very low | 45.1 | Very low | 183 Ų | 183 | 141 Ų | 141 | 86% | 0.855 | 76% | 0.759 | S | S | * | * | | | trans | -72.4 | 71.2 | 177.2 | -162.7 | -179.7 | 122.2 | 0 | 0 | 112.7 | D155 E159 | D155-E157 PolarHBondContact O-N 3.43Å; E157-E159 PolarHBondContact O-N 3.07Å |
| 158 | N | 46 | Very low | 45.7 | Very low | 130 Ų | 130 | 143.3 Ų | 143.3 | 70% | 0.695 | 76% | 0.759 | S | S | * | * | | | trans | -88.9 | 81.2 | 168.4 | -180 | 87.9 | 0 | 0 | 0 | 110 | S156 E160 | S156-N158 PolarHBondContact O-N 3.18Å; N158-E160 WeakPolarHBondContact ND2-CG 3.46Å; N158-E160 PolarHBondContact O-N 3.46Å |
| 159 | E | 58.7 | Low | 46.4 | Very low | 159 Ų | 159 | 144.2 Ų | 144.2 | 74% | 0.743 | 76% | 0.758 | S | S | * | * | | | trans | -68.6 | 95.5 | 165.1 | -95.4 | -129.9 | 127 | 0 | 0 | 109.9 | E157 | E157-E159 PolarHBondContact O-N 3.07Š|
| 160 | E | 58.6 | Low | 46.7 | Very low | 149 Ų | 149 | 140.1 Ų | 140.1 | 70% | 0.696 | 75% | 0.747 | S | S | * | * | | | trans | -61.3 | 131.7 | 161.1 | -65.2 | -162.9 | 148.1 | 0 | 0 | 109.4 | N158 I162 | N158-E160 WeakPolarHBondContact ND2-CG 3.46Å; N158-E160 PolarHBondContact O-N 3.46Å; E160-I162 PolarHBondContact O-N 2.79Å |
| 161 | P | 53.2 | Low | 47.1 | Very low | 125 Ų | 125 | 140 Ų | 140 | 81% | 0.812 | 76% | 0.755 | S | S | * | * | | | trans | -67.4 | 96.5 | 178.8 | 26.7 | -34 | 0 | 0 | 0 | 110.3 | S163 | P161-S163 PolarHBondContact O-N 3.45Å; P161-S163 VanDerWaalsContact O-N 3.09Å |
| 162 | I | 41.3 | Very low | 47.6 | Very low | 136 Ų | 136 | 145.3 Ų | 145.3 | 70% | 0.697 | 76% | 0.759 | S | S | * | * | | | trans | -42.5 | 116.8 | -174.4 | -63.8 | 174 | 0 | 0 | 0 | 110.5 | E160 R164 | E160-I162 PolarHBondContact O-N 2.79Å; I162-R164 VanDerWaalsContact C-N 3.25Å; I162-R164 PolarHBondContact O-N 3.18Å |
| 163 | S | 45 | Very low | 48 | Very low | 115 Ų | 115 | 146.8 Ų | 146.8 | 80% | 0.804 | 76% | 0.761 | S | S | * | * | | | trans | -65.8 | 78.8 | -173.9 | -169.3 | 0 | 0 | 0 | 0 | 112.3 | P161 R165 | P161-S163 PolarHBondContact O-N 3.45Å; P161-S163 VanDerWaalsContact O-N 3.09Å; S163-R165 PolarHBondContact O-N 3.18Å |
| 164 | R | 46.9 | Very low | 48.4 | Very low | 220 Ų | 220 | 149.6 Ų | 149.6 | 83% | 0.83 | 76% | 0.761 | S | S | * | * | | | trans | -65.1 | 99.7 | 172.6 | -70.7 | -171.4 | -179.9 | -143.1 | -1.3 | 107.7 | I162 I166 | I162-R164 VanDerWaalsContact C-N 3.25Å; I162-R164 PolarHBondContact O-N 3.18Å; R164-I166 VanDerWaalsContact C-N 3.31Å; R164-I166 WeakPolarHBondContact O-CG1 3.29Å; R164-I166 PolarHBondContact O-N 3.22Å |
| 165 | R | 48.3 | Very low | 48.2 | Very low | 203 Ų | 203 | 154.2 Ų | 154.2 | 77% | 0.766 | 77% | 0.767 | S | S | * | * | | | trans | -55.6 | 84.4 | -177.8 | -172.9 | -174.5 | -65.8 | -175.5 | 0.3 | 112.2 | S163 R167 | S163-R165 PolarHBondContact O-N 3.18Å; R165-R167 PolarHBondContact O-N 3.01Å |
| 166 | I | 46.7 | Very low | 48.2 | Very low | 137 Ų | 137 | 152.6 Ų | 152.6 | 70% | 0.703 | 76% | 0.762 | S | S | * | * | | | trans | -63.3 | 103.8 | 172.2 | -57.3 | 179.2 | 0 | 0 | 0 | 107.2 | R164 N168 | R164-I166 VanDerWaalsContact C-N 3.31Å; R164-I166 WeakPolarHBondContact O-CG1 3.29Å; R164-I166 PolarHBondContact O-N 3.22Å; I166-N168 WeakPolarHBondContact CG2-OD1 3.08Å; I166-N168 PolarHBondContact O-N 2.87Å |
| 167 | R | 56.4 | Low | 48.1 | Very low | 194 Ų | 194 | 157 Ų | 157 | 73% | 0.732 | 77% | 0.769 | S | S | * | * | | | trans | -73 | 95.3 | 169.1 | -70.2 | -175.7 | 178.4 | 90.1 | -10.8 | 107.4 | R165 I169 | R165-R167 PolarHBondContact O-N 3.01Å; R167-I169 VanDerWaalsContact C-N 3.29Å; R167-I169 PolarHBondContact O-N 3.13Å |
| 168 | N | 46.3 | Very low | 47.4 | Very low | 143 Ų | 143 | 155.3 Ų | 155.3 | 77% | 0.765 | 77% | 0.765 | S | S | * | * | | | trans | -65 | 90.5 | 169 | -72.1 | -24.1 | 0 | 0 | 0 | 109.1 | I166 S170 | I166-N168 WeakPolarHBondContact CG2-OD1 3.08Å; I166-N168 PolarHBondContact O-N 2.87Å; N168-S170 PolarHBondContact O-N 3.49Å; N168-S170 VanDerWaalsContact O-N 3.13Å |
| 169 | I | 47.5 | Very low | 46.7 | Very low | 155 Ų | 155 | 154.7 Ų | 154.7 | 80% | 0.795 | 77% | 0.771 | S | S | * | * | | | trans | -74.3 | 100.9 | 175.6 | -59.9 | 171.9 | 0 | 0 | 0 | 107.3 | R167 A171 | R167-I169 VanDerWaalsContact C-N 3.29Å; R167-I169 PolarHBondContact O-N 3.13Å; I169-A171 PolarHBondContact O-N 3.33Å |
| 170 | S | 48.8 | Very low | 45.6 | Very low | 82 Ų | 82 | 153.1 Ų | 153.1 | 57% | 0.573 | 78% | 0.778 | S | S | * | * | | | trans | -68.3 | 130.6 | 174.1 | 54.2 | 0 | 0 | 0 | 0 | 110.3 | N168 F172 | N168-S170 PolarHBondContact O-N 3.49Å; N168-S170 VanDerWaalsContact O-N 3.13Å; S170-F172 PolarHBondContact O-N 2.83Å |
| 171 | A | 51.6 | Low | 44.4 | Very low | 102 Ų | 102 | 150.6 Ų | 150.6 | 84% | 0.843 | 78% | 0.782 | S | S | * | * | S | Bend | trans | -74.9 | 26.9 | -173.5 | 0 | 0 | 0 | 0 | 0 | 114.4 | I169 | I169-A171 PolarHBondContact O-N 3.33Š|
| 172 | F | 51.7 | Low | 43.4 | Very low | 182 Ų | 182 | 151.7 Ų | 151.7 | 80% | 0.798 | 79% | 0.786 | S | S | * | * | | | trans | -140.3 | 38.8 | -169 | -122.4 | -87.9 | 0 | 0 | 0 | 114.8 | S170 | S170-F172 PolarHBondContact O-N 2.83Š|
| 173 | I | 45.6 | Very low | 43.1 | Very low | 149 Ų | 149 | 150.7 Ų | 150.7 | 76% | 0.764 | 79% | 0.791 | S | S | * | * | | | trans | -95.3 | 120 | 165.3 | -60 | -177.2 | 0 | 0 | 0 | 109.1 | | |
| 174 | R | 49 | Very low | 42.5 | Very low | 215 Ų | 215 | 151 Ų | 151 | 81% | 0.811 | 79% | 0.794 | S | S | * | * | | | trans | -68.8 | 130.6 | 178 | -63.3 | 179.8 | -177.5 | -179.7 | 0.1 | 109.8 | T176 | R174-T176 PolarHBondContact O-N 2.77Š|
| 175 | K | 40.9 | Very low | 41.9 | Very low | 209 Ų | 209 | 144 Ų | 144 | 91% | 0.909 | 79% | 0.79 | S | S | * | * | | | trans | -72 | 88 | -172.5 | -173.1 | 177.1 | -178.5 | 176.4 | 0 | 112.2 | | |
| 176 | T | 40.3 | Very low | 41.1 | Very low | 113 Ų | 113 | 140.2 Ų | 140.2 | 69% | 0.693 | 80% | 0.795 | S | S | * | * | | | trans | -68.4 | 136.8 | 169.1 | 50.3 | 0 | 0 | 0 | 0 | 110.6 | R174 | R174-T176 PolarHBondContact O-N 2.77Š|
| 177 | K | 41 | Very low | 40.6 | Very low | 197 Ų | 197 | 145.3 Ų | 145.3 | 86% | 0.857 | 81% | 0.805 | S | S | * | * | | | trans | -81.6 | 117.6 | 176.7 | -85.2 | -178.6 | 172.5 | 178.7 | 0 | 110.4 | | |
| 178 | N | 32.8 | Very low | 39.5 | Very low | 146 Ų | 146 | 147.6 Ų | 147.6 | 78% | 0.781 | 81% | 0.814 | S | S | * | * | | | trans | -133.9 | 100.7 | 161 | -62.4 | 88.4 | 0 | 0 | 0 | 106.7 | | |
| 179 | S | 30.6 | Very low | 39.1 | Very low | 118 Ų | 118 | 145.3 Ų | 145.3 | 83% | 0.825 | 81% | 0.809 | S | S | * | * | | | trans | -98.4 | 125.1 | -179.5 | -60.6 | 0 | 0 | 0 | 0 | 110.5 | | |
| 180 | S | 34.2 | Very low | 38.7 | Very low | 125 Ų | 125 | 148.3 Ų | 148.3 | 87% | 0.874 | 81% | 0.81 | S | S | * | * | | | trans | -127 | 151.5 | 151.4 | 55.7 | 0 | 0 | 0 | 0 | 107.7 | | |
| 181 | A | 34.4 | Very low | 38 | Very low | 96 Ų | 96 | 149.5 Ų | 149.5 | 79% | 0.793 | 82% | 0.819 | S | S | * | * | | | trans | -136.4 | 151.6 | -164.5 | 0 | 0 | 0 | 0 | 0 | 112.2 | | |
| 182 | V | 33 | Very low | 37.2 | Very low | 148 Ų | 148 | 150.9 Ų | 150.9 | 90% | 0.897 | 82% | 0.82 | S | S | * | * | | | trans | -140 | 143.2 | 149 | 155.8 | 0 | 0 | 0 | 0 | 108.9 | | |
| 183 | S | 33.2 | Very low | 36.4 | Very low | 115 Ų | 115 | 149 Ų | 149 | 80% | 0.804 | 82% | 0.824 | S | S | * | * | | | trans | -25.5 | 129.6 | 178.7 | -164 | 0 | 0 | 0 | 0 | 119.5 | | |
| 184 | S | 32.6 | Very low | 35.8 | Very low | 122 Ų | 122 | 149.3 Ų | 149.3 | 85% | 0.853 | 83% | 0.827 | S | S | * | * | | | | -163.5 | 150.4 | 104.4 | -167.8 | 0 | 0 | 0 | 0 | 110.5 | | |
| 185 | G | 36 | Very low | 35.6 | Very low | 73 Ų | 73 | 144.5 Ų | 144.5 | 75% | 0.753 | 82% | 0.824 | S | S | * | * | | | trans | -99.6 | 139.8 | -162.9 | 0 | 0 | 0 | 0 | 0 | 116.2 | | |
| 186 | S | 31.1 | Very low | 35.6 | Very low | 124 Ų | 124 | 142 Ų | 142 | 87% | 0.867 | 82% | 0.82 | S | S | * | * | | | trans | -155.3 | 140.4 | 149.2 | -172.7 | 0 | 0 | 0 | 0 | 110.2 | | |
| 187 | R | 35.8 | Very low | 35.7 | Very low | 243 Ų | 243 | 145.8 Ų | 145.8 | 92% | 0.917 | 83% | 0.83 | S | S | * | * | | | trans | -144.6 | 87.1 | -170.1 | -168.9 | -173.2 | -171.6 | -145.2 | 3.7 | 112 | | |
| 188 | R | 33 | Very low | 35.4 | Very low | 242 Ų | 242 | 143.6 Ų | 143.6 | 91% | 0.913 | 83% | 0.827 | S | S | * | * | | | trans | 179.6 | 146.9 | 169 | -99.1 | 161.8 | -179.7 | -173.5 | -0.1 | 106.7 | | |
| 189 | S | 38.7 | Very low | 35.7 | Very low | 95 Ų | 95 | 148 Ų | 148 | 66% | 0.664 | 83% | 0.833 | S | S | * | * | | | cis | -150.9 | 158.2 | -0.9 | -82.5 | 0 | 0 | 0 | 0 | 111.8 | | |
| 190 | R | 38.4 | Very low | 35.6 | Very low | 219 Ų | 219 | 146 Ų | 146 | 83% | 0.826 | 83% | 0.831 | S | S | * | * | | | trans | 2 | 126.6 | 139.6 | -48 | 173.8 | 86.1 | 175 | 5.4 | 115.5 | | |
| 191 | S | 34.8 | Very low | 35.6 | Very low | 107 Ų | 107 | 143.6 Ų | 143.6 | 75% | 0.748 | 83% | 0.826 | S | S | * | * | | | | 63.7 | 99.1 | 55 | 82.7 | 0 | 0 | 0 | 0 | 114.1 | | |
| 192 | C | 33.8 | Very low | 35.8 | Very low | 130 Ų | 130 | 149.2 Ų | 149.2 | 88% | 0.878 | 83% | 0.832 | S | S | * | * | | | trans | -124.9 | 117.3 | 167.8 | -61.6 | 0 | 0 | 0 | 0 | 109.3 | | |
| 193 | T | 36 | Very low | 36 | Very low | 142 Ų | 142 | 150.6 Ų | 150.6 | 87% | 0.871 | 83% | 0.831 | S | S | * | * | | | trans | -104 | 137.5 | 159.3 | 44.8 | 0 | 0 | 0 | 0 | 107.1 | | |
| 194 | D | 32.2 | Very low | 36.2 | Very low | 156 Ų | 156 | 155 Ų | 155 | 83% | 0.834 | 84% | 0.836 | S | S | * | * | | | trans | -127.7 | 115.7 | -177.5 | -174.2 | 21.4 | 0 | 0 | 0 | 110 | | |
| 195 | P | 44.3 | Very low | 36.3 | Very low | 114 Ų | 114 | 153.5 Ų | 153.5 | 74% | 0.74 | 83% | 0.831 | S | S | * | * | | | trans | -114.3 | 116.4 | 171.8 | 34.7 | -21.1 | 0 | 0 | 0 | 111.3 | | |
| 196 | L | 41.6 | Very low | 36.1 | Very low | 158 Ų | 158 | 157.9 Ų | 157.9 | 83% | 0.827 | 84% | 0.836 | S | S | * | * | | | trans | -124.3 | 108.3 | 164.7 | -172.8 | 64.3 | 0 | 0 | 0 | 109.8 | | |
| 197 | E | 42.4 | Very low | 36.2 | Very low | 192 Ų | 192 | 158.3 Ų | 158.3 | 90% | 0.897 | 83% | 0.832 | S | S | * | * | | | trans | -86 | 138.1 | 154.8 | -66.9 | -169.2 | 105 | 0 | 0 | 108.4 | | |
| 198 | D | 35.3 | Very low | 37.2 | Very low | 151 Ų | 151 | 152.1 Ų | 152.1 | 81% | 0.807 | 82% | 0.824 | S | S | * | * | | | trans | -145.9 | 159.2 | 146.3 | -162.1 | 12.6 | 0 | 0 | 0 | 110.3 | | |
| 199 | R | 37.4 | Very low | 38 | Very low | 237 Ų | 237 | 146.6 Ų | 146.6 | 89% | 0.894 | 82% | 0.819 | S | S | * | * | | | trans | -102.9 | 151.3 | -172.3 | -63.6 | 173.7 | 166 | -144.4 | -1.7 | 111.3 | | |
| 200 | G | 30.3 | Very low | 37.8 | Very low | 77 Ų | 77 | 147 Ų | 147 | 79% | 0.794 | 83% | 0.828 | S | S | * | * | | | trans | 177.5 | 131.6 | 162.4 | 0 | 0 | 0 | 0 | 0 | 114.7 | | |
| 201 | G | 34.1 | Very low | 37.5 | Very low | 74 Ų | 74 | 141.1 Ų | 141.1 | 76% | 0.763 | 83% | 0.827 | S | S | * | * | | | trans | -69.1 | -172 | 157.6 | 0 | 0 | 0 | 0 | 0 | 111.4 | | |
| 202 | K | 37.7 | Very low | 37.5 | Very low | 214 Ų | 214 | 142.7 Ų | 142.7 | 93% | 0.93 | 83% | 0.831 | S | S | * | * | | | cis | -150.8 | 170.5 | 34.7 | -43.9 | 179.9 | -169.7 | 176.6 | 0 | 110.5 | | |
| 203 | M | 37.9 | Very low | 37.6 | Very low | 177 Ų | 177 | 144.1 Ų | 144.1 | 87% | 0.872 | 83% | 0.827 | S | S | * | * | | | trans | -67.3 | 155.3 | -179 | -57 | 172.2 | 75.7 | 0 | 0 | 113.8 | | |
| 204 | K | 36.1 | Very low | 37.2 | Very low | 208 Ų | 208 | 146 Ų | 146 | 90% | 0.904 | 83% | 0.826 | S | S | * | * | | | | -159.4 | 145.8 | 121.6 | -106.5 | 171.4 | -175.3 | -174.6 | 0 | 110.2 | | |
| 205 | A | 34.8 | Very low | 37.4 | Very low | 91 Ų | 91 | 146.8 Ų | 146.8 | 75% | 0.752 | 83% | 0.825 | S | S | * | * | | | trans | -129.7 | 138.5 | 179.1 | 0 | 0 | 0 | 0 | 0 | 109.5 | | |
| 206 | I | 31.5 | Very low | 37 | Very low | 165 Ų | 165 | 147.6 Ų | 147.6 | 85% | 0.846 | 83% | 0.827 | S | S | * | * | | | trans | -143.2 | 122.5 | 173.5 | -57.3 | -178.2 | 0 | 0 | 0 | 109.5 | | |
| 207 | V | 35 | Very low | 36.6 | Very low | 132 Ų | 132 | 142.9 Ų | 142.9 | 80% | 0.8 | 82% | 0.817 | S | S | * | * | | | trans | -163.1 | 150.8 | 176.2 | 170.3 | 0 | 0 | 0 | 0 | 103.2 | | |
| 208 | P | 56.1 | Low | 36.3 | Very low | 113 Ų | 113 | 140.8 Ų | 140.8 | 73% | 0.734 | 81% | 0.81 | S | S | * | * | | | cis | -117.3 | -145.8 | 7.3 | 21.9 | 6.8 | 0 | 0 | 0 | 109.1 | | |
| 209 | P | 49.8 | Very low | 36.1 | Very low | 127 Ų | 127 | 138.9 Ų | 138.9 | 83% | 0.825 | 81% | 0.809 | S | S | * | * | | | cis | -135.8 | 179.6 | 0.1 | 43.6 | -24.3 | 0 | 0 | 0 | 118.1 | | |
| 210 | A | 33.6 | Very low | 36.2 | Very low | 103 Ų | 103 | 135.9 Ų | 135.9 | 85% | 0.851 | 81% | 0.805 | S | S | * | * | | | trans | -110.1 | 147.4 | -178 | 0 | 0 | 0 | 0 | 0 | 112.5 | | |
| 211 | A | 32.2 | Very low | 36.6 | Very low | 96 Ų | 96 | 137.6 Ų | 137.6 | 79% | 0.793 | 80% | 0.804 | S | S | * | * | | | trans | -162.4 | 155.8 | 166 | 0 | 0 | 0 | 0 | 0 | 106.2 | | |
| 212 | V | 34.4 | Very low | 37.2 | Very low | 139 Ų | 139 | 140.2 Ų | 140.2 | 84% | 0.842 | 81% | 0.811 | S | S | * | * | | | cis | -130.2 | 165.5 | 2.4 | -175.8 | 0 | 0 | 0 | 0 | 108.1 | | |
| 213 | M | 36.6 | Very low | 37.1 | Very low | 160 Ų | 160 | 134.2 Ų | 134.2 | 79% | 0.788 | 80% | 0.802 | S | S | * | * | | | trans | -69.7 | 148.4 | 168.8 | -62.3 | 148.3 | 55.7 | 0 | 0 | 112.2 | | |
| 214 | E | 28.6 | Very low | 37.2 | Very low | 182 Ų | 182 | 130.5 Ų | 130.5 | 85% | 0.85 | 80% | 0.799 | S | S | * | * | | | trans | -137.3 | 136.7 | 141.9 | -164.5 | 174.9 | 162.7 | 0 | 0 | 109.3 | | |
| 215 | Q | 35.4 | Very low | 37.4 | Very low | 172 Ų | 172 | 124.8 Ų | 124.8 | 80% | 0.804 | 80% | 0.799 | S | S | * | * | | | trans | -139.6 | 89.9 | -170.2 | -175.2 | -179.5 | 2.8 | 0 | 0 | 109.6 | | |
| 216 | V | 37 | Very low | 37.7 | Very low | 131 Ų | 131 | 127.3 Ų | 127.3 | 79% | 0.794 | 80% | 0.798 | S | S | * | * | | | trans | -109.7 | 129.5 | 170 | -179.3 | 0 | 0 | 0 | 0 | 108.1 | | |
| 217 | G | 33.4 | Very low | 38.2 | Very low | 60 Ų | 60 | 128 Ų | 128 | 62% | 0.619 | 80% | 0.803 | S | S | * | * | | | trans | -116.8 | 170.3 | -165.8 | 0 | 0 | 0 | 0 | 0 | 115.5 | | |
| 218 | I | 35.5 | Very low | 38.4 | Very low | 147 Ų | 147 | 129.1 Ų | 129.1 | 75% | 0.754 | 80% | 0.803 | S | S | * | * | | | trans | 61.9 | 104.7 | 152.9 | -48.6 | 171.9 | 0 | 0 | 0 | 116.5 | | |
| 219 | S | 30.2 | Very low | 37.3 | Very low | 111 Ų | 111 | 129 Ų | 129 | 78% | 0.776 | 81% | 0.806 | S | S | * | * | | | | -159.8 | 118.8 | 119.5 | -84.4 | 0 | 0 | 0 | 0 | 110.4 | | |
| 220 | H | 40 | Very low | 36.9 | Very low | 174 Ų | 174 | 128.8 Ų | 128.8 | 81% | 0.806 | 81% | 0.807 | S | S | * | * | | | trans | -102.3 | 118.1 | 175.4 | -56.1 | -79.7 | 0 | 0 | 0 | 109 | | |
| 221 | S | 38.2 | Very low | 37.6 | Very low | 113 Ų | 113 | 132.9 Ų | 132.9 | 79% | 0.79 | 81% | 0.809 | S | S | * | * | | | trans | -115.6 | 95.4 | 177.6 | -56.9 | 0 | 0 | 0 | 0 | 110.3 | A223 | S221-A223 PolarHBondContact O-N 2.85Š|
| 222 | S | 46.4 | Very low | 38 | Very low | 129 Ų | 129 | 135 Ų | 135 | 90% | 0.902 | 81% | 0.807 | S | S | * | * | | | trans | -75.1 | 98 | -180 | -61.2 | 0 | 0 | 0 | 0 | 111.7 | | |
| 223 | A | 36.5 | Very low | 38.5 | Very low | 89 Ų | 89 | 133.8 Ų | 133.8 | 74% | 0.736 | 80% | 0.804 | S | S | * | * | | | trans | -148.3 | 136.6 | 173.4 | 0 | 0 | 0 | 0 | 0 | 112.5 | S221 | S221-A223 PolarHBondContact O-N 2.85Š|
| 224 | A | 39.7 | Very low | 38.7 | Very low | 98 Ų | 98 | 137.7 Ų | 137.7 | 81% | 0.81 | 81% | 0.81 | S | S | * | * | S | Bend | trans | 52.3 | 107.5 | 169.9 | 0 | 0 | 0 | 0 | 0 | 117.4 | | |
| 225 | G | 40.8 | Very low | 39 | Very low | 88 Ų | 88 | 134.4 Ų | 134.4 | 91% | 0.907 | 81% | 0.807 | S | S | * | * | | | trans | -65.7 | 140.3 | -173.4 | 0 | 0 | 0 | 0 | 0 | 116 | | |
| 226 | I | 40.8 | Very low | 39.5 | Very low | 144 Ų | 144 | 134.7 Ų | 134.7 | 74% | 0.738 | 81% | 0.812 | S | S | * | * | | | trans | -116.7 | 120.1 | 169.3 | -60 | 174.4 | 0 | 0 | 0 | 108.2 | L228 | I226-L228 HydrophobicContact CG2-CB 4.47Å; I226-L228 HydrophobicContact CG2-CD1 4.21Å; I226-L228 HydrophobicContact CG2-CG 4.17Å |
| 227 | L | 41.3 | Very low | 39.7 | Very low | 181 Ų | 181 | 133.8 Ų | 133.8 | 95% | 0.948 | 81% | 0.812 | S | S | * | * | | | trans | -101.8 | 88.3 | 169.8 | -77.4 | 179.3 | 0 | 0 | 0 | 111 | | |
| 228 | L | 40.3 | Very low | 39.8 | Very low | 154 Ų | 154 | 135 Ų | 135 | 81% | 0.806 | 82% | 0.817 | S | S | * | * | | | trans | -110.9 | 84.3 | 162.7 | -81.3 | 171.1 | 0 | 0 | 0 | 109.4 | I226 | I226-L228 HydrophobicContact CG2-CB 4.47Å; I226-L228 HydrophobicContact CG2-CD1 4.21Å; I226-L228 HydrophobicContact CG2-CG 4.17Å |
| 229 | S | 32.8 | Very low | 40 | Very low | 112 Ų | 112 | 133.8 Ų | 133.8 | 78% | 0.783 | 82% | 0.818 | S | S | * | * | | | trans | -172.2 | 84.5 | 162.3 | -87 | 0 | 0 | 0 | 0 | 112.8 | | |
| 230 | S | 41.1 | Very low | 40.5 | Very low | 122 Ų | 122 | 136.1 Ų | 136.1 | 85% | 0.853 | 82% | 0.82 | S | S | * | * | | | trans | -139.4 | 31.6 | 155 | 57.8 | 0 | 0 | 0 | 0 | 111.7 | N232 | S230-N232 PolarHBondContact O-N 2.84Å; S230-N232 VanDerWaalsContact O-N 3.09Å |
| 231 | E | 48.8 | Very low | 40.7 | Very low | 189 Ų | 189 | 134 Ų | 134 | 88% | 0.883 | 82% | 0.82 | S | S | * | * | | | trans | -78.6 | 90.4 | 169.1 | -170.4 | 164.4 | 126.4 | 0 | 0 | 110.2 | | |
| 232 | N | 40.4 | Very low | 40.9 | Very low | 141 Ų | 141 | 133 Ų | 133 | 75% | 0.754 | 82% | 0.818 | S | S | * | * | | | trans | -145.6 | 147.8 | 156.6 | -164.6 | -0 | 0 | 0 | 0 | 108.4 | S230 | S230-N232 PolarHBondContact O-N 2.84Å; S230-N232 VanDerWaalsContact O-N 3.09Å |
| 233 | S | 44.3 | Very low | 40.8 | Very low | 112 Ų | 112 | 132.9 Ų | 132.9 | 78% | 0.783 | 81% | 0.814 | S | S | * | * | | | trans | 59.8 | 57.4 | 179.7 | -57.7 | 0 | 0 | 0 | 0 | 116.2 | | |
| 234 | R | 40.3 | Very low | 40.6 | Very low | 243 Ų | 243 | 135 Ų | 135 | 92% | 0.917 | 81% | 0.813 | S | S | * | * | | | trans | -114.7 | 134.6 | 153.2 | -74.6 | -167.3 | 174.8 | -130 | -2.8 | 111.1 | | |
| 235 | S | 36.4 | Very low | 41.1 | Very low | 113 Ų | 113 | 141.2 Ų | 141.2 | 79% | 0.79 | 82% | 0.816 | S | S | * | * | | | trans | -80.3 | 150.5 | -175.9 | 40.2 | 0 | 0 | 0 | 0 | 112.5 | S237 | S235-S237 PolarHBondContact O-N 2.81Š|
| 236 | I | 45.8 | Very low | 41.1 | Very low | 177 Ų | 177 | 146.5 Ų | 146.5 | 91% | 0.908 | 81% | 0.808 | S | S | * | * | S | Bend | trans | -73 | 87.2 | -175.4 | -56.4 | 167.5 | 0 | 0 | 0 | 110.5 | | |
| 237 | S | 40.1 | Very low | 41.1 | Very low | 112 Ų | 112 | 146 Ų | 146 | 78% | 0.783 | 81% | 0.806 | S | S | * | * | | | trans | 178.7 | 66.7 | 152.3 | 56 | 0 | 0 | 0 | 0 | 114.6 | S235 | S235-S237 PolarHBondContact O-N 2.81Š|
| 238 | A | 35.3 | Very low | 40.8 | Very low | 87 Ų | 87 | 144.3 Ų | 144.3 | 72% | 0.719 | 80% | 0.804 | S | S | * | * | | | trans | -157.6 | 135.2 | 161.3 | 0 | 0 | 0 | 0 | 0 | 111.8 | | |
| 239 | P | 41 | Very low | 40.5 | Very low | 121 Ų | 121 | 147 Ų | 147 | 79% | 0.786 | 80% | 0.803 | S | S | * | * | P | Polyproline II helix | trans | -78.4 | 143.9 | 167.2 | 32.8 | -32.8 | 0 | 0 | 0 | 110.9 | | |
| 240 | I | 40.9 | Very low | 40.6 | Very low | 159 Ų | 159 | 151.7 Ų | 151.7 | 82% | 0.815 | 80% | 0.804 | S | S | * | * | P | Polyproline II helix | trans | -94.2 | 129.3 | -180 | -59.9 | 172.5 | 0 | 0 | 0 | 109.5 | | |
| 241 | T | 43.1 | Very low | 40.3 | Very low | 131 Ų | 131 | 150 Ų | 150 | 80% | 0.804 | 80% | 0.798 | S | S | * | * | P | Polyproline II helix | trans | -92.3 | 143.2 | 169.1 | 49.2 | 0 | 0 | 0 | 0 | 111 | | |
| 242 | A | 42.4 | Very low | 39.6 | Very low | 91 Ų | 91 | 147 Ų | 147 | 75% | 0.752 | 79% | 0.792 | S | S | * | * | P | Polyproline II helix | trans | -67.1 | 158.2 | -177.7 | 0 | 0 | 0 | 0 | 0 | 112.9 | | |
| 243 | P | 44.2 | Very low | 39.3 | Very low | 127 Ų | 127 | 148.5 Ų | 148.5 | 83% | 0.825 | 80% | 0.799 | S | S | * | * | P | Polyproline II helix | trans | -72 | 137.9 | -178.6 | 29.4 | -34.9 | 0 | 0 | 0 | 112.8 | | |
| 244 | D | 32.4 | Very low | 38.9 | Very low | 134 Ų | 134 | 149.4 Ų | 149.4 | 72% | 0.717 | 80% | 0.8 | S | S | * | * | P | Polyproline II helix | trans | -76.6 | 149.7 | 177.3 | -173.2 | 23.6 | 0 | 0 | 0 | 112.4 | R246 | D244-R246 IonicContact OD1-NE 3.68Å; D244-R246 VanDerWaalsContact OD2-CD 3.24Å; D244-R246 WeakPolarHBondContact OD2-CD 3.21Å; D244-R246 IonicContact OD2-NE 3.77Å |
| 245 | R | 51.5 | Low | 38.4 | Very low | 227 Ų | 227 | 143.4 Ų | 143.4 | 86% | 0.857 | 80% | 0.795 | S | S | * | * | | | trans | -115 | 94.3 | 174.9 | -87.2 | -179.8 | 154.4 | -172.5 | -5.3 | 110.1 | | |
| 246 | R | 40.6 | Very low | 38.2 | Very low | 199 Ų | 199 | 143.9 Ų | 143.9 | 75% | 0.751 | 80% | 0.798 | S | S | * | * | | | trans | -135.3 | 111 | 155.8 | -81.6 | 100.6 | -167.7 | -63.5 | -4.5 | 108.9 | D244 | D244-R246 IonicContact OD1-NE 3.68Å; D244-R246 VanDerWaalsContact OD2-CD 3.24Å; D244-R246 WeakPolarHBondContact OD2-CD 3.21Å; D244-R246 IonicContact OD2-NE 3.77Å |
| 247 | L | 40.1 | Very low | 37.9 | Very low | 133 Ų | 133 | 139.5 Ų | 139.5 | 70% | 0.696 | 79% | 0.789 | S | S | * | * | | | | 71.7 | 89.7 | 72.4 | -70.9 | 174.6 | 0 | 0 | 0 | 112.7 | W249 | L247-W249 PolarHBondContact O-N 3.29Š|
| 248 | T | 35.5 | Very low | 37.9 | Very low | 147 Ų | 147 | 140.4 Ų | 140.4 | 90% | 0.902 | 79% | 0.792 | S | S | * | * | | | trans | -62.1 | 113.1 | 170.5 | -46.4 | 0 | 0 | 0 | 0 | 111.2 | | |
| 249 | W | 33.6 | Very low | 38.2 | Very low | 209 Ų | 209 | 145.1 Ų | 145.1 | 79% | 0.792 | 80% | 0.804 | S | S | * | * | | | trans | -98 | 100.5 | 174.4 | -80 | 94.3 | 0 | 0 | 0 | 112 | L247 | L247-W249 PolarHBondContact O-N 3.29Š|
| 250 | R | 35.8 | Very low | 37.9 | Very low | 211 Ų | 211 | 142.6 Ų | 142.6 | 80% | 0.796 | 80% | 0.8 | S | S | * | * | | | trans | 49.3 | 90 | 147.8 | -61.1 | -69.1 | -178.1 | 137.2 | -0 | 117.5 | | |
| 251 | A | 33.9 | Very low | 37.9 | Very low | 87 Ų | 87 | 143.3 Ų | 143.3 | 72% | 0.719 | 81% | 0.805 | S | S | * | * | | | | -77.1 | 176.9 | 129.3 | 0 | 0 | 0 | 0 | 0 | 110 | | |
| 252 | V | 33.4 | Very low | 38 | Very low | 125 Ų | 125 | 142.2 Ų | 142.2 | 76% | 0.758 | 80% | 0.8 | S | S | * | * | | | trans | 87.8 | 93.1 | -174.7 | -172.5 | 0 | 0 | 0 | 0 | 115 | | |
| 253 | L | 34.4 | Very low | 38.5 | Very low | 173 Ų | 173 | 143.3 Ų | 143.3 | 91% | 0.906 | 80% | 0.799 | S | S | * | * | | | | -144.7 | 112.1 | 124.4 | -86 | -170.4 | 0 | 0 | 0 | 110.1 | | |
| 254 | T | 35.4 | Very low | 38.9 | Very low | 132 Ų | 132 | 142.8 Ų | 142.8 | 81% | 0.81 | 80% | 0.796 | S | S | * | * | | | trans | -119.9 | 153.1 | 156 | 46.6 | 0 | 0 | 0 | 0 | 105.6 | | |
| 255 | S | 30.3 | Very low | 39.6 | Very low | 117 Ų | 117 | 142.2 Ų | 142.2 | 82% | 0.818 | 80% | 0.799 | S | S | * | * | | | cis | -156.8 | 145.7 | -3.4 | 174.1 | 0 | 0 | 0 | 0 | 108.5 | | |
| 256 | S | 32.8 | Very low | 39.2 | Very low | 122 Ų | 122 | 136 Ų | 136 | 85% | 0.853 | 80% | 0.796 | S | S | * | * | | | trans | -161 | 129.7 | 149.9 | 50 | 0 | 0 | 0 | 0 | 110.8 | | |
| 257 | A | 38.8 | Very low | 39.2 | Very low | 86 Ų | 86 | 137.9 Ų | 137.9 | 71% | 0.711 | 80% | 0.804 | S | S | * | * | | | trans | -109.2 | 157.6 | 168.7 | 0 | 0 | 0 | 0 | 0 | 109 | | |
| 258 | P | 41 | Very low | 39.3 | Very low | 131 Ų | 131 | 135.8 Ų | 135.8 | 85% | 0.851 | 81% | 0.805 | S | S | * | * | | | | -123.7 | 179.5 | 102.6 | 36.9 | -33.9 | 0 | 0 | 0 | 113.7 | | |
| 259 | L | 40.1 | Very low | 39.8 | Very low | 185 Ų | 185 | 137.7 Ų | 137.7 | 97% | 0.969 | 80% | 0.804 | S | S | * | * | | | trans | -75 | 142.7 | -167.6 | -67.7 | 153.6 | 0 | 0 | 0 | 114.1 | | |
| 260 | G | 36.7 | Very low | 40.5 | Very low | 68 Ų | 68 | 139 Ų | 139 | 70% | 0.701 | 81% | 0.809 | S | S | * | * | | | trans | 163.4 | 131.2 | 161.2 | 0 | 0 | 0 | 0 | 0 | 115 | | |
| 261 | L | 39.3 | Very low | 41.1 | Very low | 174 Ų | 174 | 133.7 Ų | 133.7 | 91% | 0.911 | 80% | 0.804 | S | S | * | * | S | Bend | trans | 75.4 | 156.9 | 167.3 | -58.7 | 177.3 | 0 | 0 | 0 | 117 | | |
| 262 | P | 46.7 | Very low | 42 | Very low | 109 Ų | 109 | 137.6 Ų | 137.6 | 71% | 0.708 | 81% | 0.811 | S | S | * | * | P | Polyproline II helix | trans | -91 | 165 | -147.9 | 35.1 | -36.6 | 0 | 0 | 0 | 115 | | |
| 263 | P | 52.4 | Low | 42.7 | Very low | 114 Ų | 114 | 134.8 Ų | 134.8 | 74% | 0.74 | 80% | 0.797 | S | S | * | * | P | Polyproline II helix | trans | -61.3 | 148.4 | 173.8 | 26.6 | -36 | 0 | 0 | 0 | 112.1 | | |
| 264 | P | 51.4 | Low | 43.8 | Very low | 115 Ų | 115 | 132.6 Ų | 132.6 | 75% | 0.747 | 79% | 0.793 | S | S | * | * | P | Polyproline II helix | trans | -61.4 | 146 | 172 | 28.2 | -34.9 | 0 | 0 | 0 | 109.9 | A266 | P264-A266 PolarHBondContact O-N 3.04Š|
| 265 | P | 48.8 | Very low | 44.9 | Very low | 122 Ų | 122 | 134 Ų | 134 | 79% | 0.792 | 79% | 0.79 | S | S | * | * | P | Polyproline II helix | trans | -57.9 | 134 | -177.3 | 23.5 | -33.5 | 0 | 0 | 0 | 110.6 | R267 | P265-R267 PolarHBondContact O-N 3.22Š|
| 266 | A | 42.3 | Very low | 46 | Very low | 96 Ų | 96 | 132.4 Ų | 132.4 | 79% | 0.793 | 78% | 0.779 | S | S | * | * | P | Polyproline II helix | trans | -51.7 | 135.8 | 170.7 | 0 | 0 | 0 | 0 | 0 | 108.8 | P264 A268 | P264-A266 PolarHBondContact O-N 3.04Å; A266-A268 PolarHBondContact O-N 2.92Å; A266-A268 VanDerWaalsContact O-N 3.08Å |
| 267 | R | 39.9 | Very low | 47.4 | Very low | 239 Ų | 239 | 133 Ų | 133 | 90% | 0.902 | 77% | 0.773 | S | S | * | * | P | Polyproline II helix | trans | -55.4 | 123.1 | 176.9 | -74.9 | -177.8 | 175.2 | 160.3 | 0.2 | 107.8 | P265 E269 | P265-R267 PolarHBondContact O-N 3.22Å; R267-E269 PolarHBondContact O-N 2.8Å |
| 268 | A | 43.7 | Very low | 48.5 | Very low | 89 Ų | 89 | 134.1 Ų | 134.1 | 74% | 0.736 | 77% | 0.767 | S | S | * | * | P | Polyproline II helix | trans | -47.6 | 118.5 | 175.7 | 0 | 0 | 0 | 0 | 0 | 108.8 | A266 R270 | A266-A268 PolarHBondContact O-N 2.92Å; A266-A268 VanDerWaalsContact O-N 3.08Å; A268-R270 PolarHBondContact O-N 2.97Å |
| 269 | E | 44.5 | Very low | 49.6 | Very low | 188 Ų | 188 | 132.4 Ų | 132.4 | 88% | 0.879 | 76% | 0.758 | S | S | * | * | | | trans | -57.5 | 114.8 | 173.7 | -64.7 | -173.9 | 135.1 | 0 | 0 | 106.2 | R267 S271 | R267-E269 PolarHBondContact O-N 2.8Å; E269-S271 PolarHBondContact O-N 3.02Å |
| 270 | R | 49.6 | Very low | 50.7 | Low | 237 Ų | 237 | 128.4 Ų | 128.4 | 89% | 0.894 | 74% | 0.737 | S | S | * | * | | | trans | -61.4 | 115.1 | 177.6 | -77.1 | -176.4 | 168.5 | -166.4 | -5.5 | 106.3 | A268 I272 | A268-R270 PolarHBondContact O-N 2.97Å; R270-I272 PolarHBondContact O-N 2.73Å; R270-I272 VanDerWaalsContact O-N 3.14Å |
| 271 | S | 47.9 | Very low | 52 | Low | 98 Ų | 98 | 128 Ų | 128 | 69% | 0.685 | 72% | 0.723 | S | S | * | * | | | trans | -42.8 | 119.4 | -174.9 | 53.2 | 0 | 0 | 0 | 0 | 110.4 | E269 S273 | E269-S271 PolarHBondContact O-N 3.02Å; S271-S273 PolarHBondContact O-N 2.88Å |
| 272 | I | 53.2 | Low | 53.3 | Low | 169 Ų | 169 | 126.2 Ų | 126.2 | 87% | 0.867 | 71% | 0.71 | S | S | * | * | | | trans | -71.8 | 82.5 | 170.7 | -55 | 170.1 | 0 | 0 | 0 | 105.9 | R270 P274 | R270-I272 PolarHBondContact O-N 2.73Å; R270-I272 VanDerWaalsContact O-N 3.14Å; I272-P274 VanDerWaalsContact O-CD 3.25Å; I272-P274 WeakPolarHBondContact O-CD 3.44Å |
| 273 | S | 47.2 | Very low | 54.2 | Low | 66 Ų | 66 | 127.1 Ų | 127.1 | 46% | 0.462 | 71% | 0.705 | S | S | . | * | | | trans | -63.7 | 112.4 | 178.3 | -62.6 | 0 | 0 | 0 | 0 | 108.3 | S271 E275 S276 | S271-S273 PolarHBondContact O-N 2.88Å; S273-E275 PolarHBondContact O-N 3.09Å; S273-E275 VanDerWaalsContact O-N 3.13Å; S273-S276 PolarHBondContact O-OG 2.97Å |
| 274 | P | 57.5 | Low | 54.8 | Low | 127 Ų | 127 | 127 Ų | 127 | 83% | 0.825 | 70% | 0.697 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -71.4 | -10.2 | -173.5 | 30.4 | -36.1 | 0 | 0 | 0 | 113 | I272 | I272-P274 VanDerWaalsContact O-CD 3.25Å; I272-P274 WeakPolarHBondContact O-CD 3.44Å |
| 275 | E | 58.5 | Low | 55.3 | Low | 162 Ų | 162 | 127.5 Ų | 127.5 | 76% | 0.757 | 69% | 0.694 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -110.9 | 18 | -172.7 | -148.4 | 64.8 | -121.4 | 0 | 0 | 113 | S273 N277 | S273-E275 PolarHBondContact O-N 3.09Å; S273-E275 VanDerWaalsContact O-N 3.13Å; E275-N277 PolarHBondContact O-N 2.89Å |
| 276 | S | 54.8 | Low | 56.2 | Low | 83 Ų | 83 | 128.7 Ų | 128.7 | 58% | 0.58 | 69% | 0.689 | S | S | * | * | | | trans | -74.4 | 83.1 | 168.3 | 60.6 | 0 | 0 | 0 | 0 | 109.5 | S273 D278 | S273-S276 PolarHBondContact O-OG 2.97Å; S276-D278 PolarHBondContact O-N 3.44Å |
| 277 | N | 61.1 | Low | 57.6 | Low | 134 Ų | 134 | 132 Ų | 132 | 72% | 0.717 | 69% | 0.685 | S | S | * | * | | | trans | -67.7 | 92.4 | 177.7 | -168.1 | -25.5 | 0 | 0 | 0 | 109.8 | E275 S279 | E275-N277 PolarHBondContact O-N 2.89Å; N277-S279 VanDerWaalsContact C-N 3.34Å; N277-S279 PolarHBondContact O-N 3.02Å; N277-S279 PolarHBondContact O-OG 3.46Å |
| 278 | D | 62.5 | Low | 59.5 | Low | 110 Ų | 110 | 129.2 Ų | 129.2 | 59% | 0.588 | 68% | 0.68 | S | S | * | * | | | trans | -63.1 | 89 | -179.1 | -93.3 | -28.6 | 0 | 0 | 0 | 110.4 | S276 I280 S281 | S276-D278 PolarHBondContact O-N 3.44Å; D278-I280 PolarHBondContact O-N 3.2Å; D278-I280 VanDerWaalsContact O-N 3.07Å; D278-S281 VanDerWaalsContact O-CB 3.27Å; D278-S281 WeakPolarHBondContact O-CB 3.34Å; D278-S281 PolarHBondContact O-N 3.2Å; D278-S281 PolarHBondContact O-OG 2.69Å |
| 279 | S | 64.6 | Low | 61 | Low | 95 Ų | 95 | 129.3 Ų | 129.3 | 66% | 0.664 | 67% | 0.673 | S | S | * | * | H | α-helix | trans | -61.3 | -20.1 | 178.8 | -42.3 | 0 | 0 | 0 | 0 | 112.7 | N277 S281 E282 | N277-S279 VanDerWaalsContact C-N 3.34Å; N277-S279 PolarHBondContact O-N 3.02Å; N277-S279 PolarHBondContact O-OG 3.46Å; S279-S281 VanDerWaalsContact C-N 3.29Å; S279-E282 PolarHBondContact O-N 3.09Å |
| 280 | I | 62.2 | Low | 62.4 | Low | 102 Ų | 102 | 127 Ų | 127 | 52% | 0.523 | 67% | 0.665 | S | S | . | * | H | α-helix | trans | -68.2 | -27.8 | 172.2 | -63.2 | 175.6 | 0 | 0 | 0 | 111.4 | D278 E282 E283 L284 | D278-I280 PolarHBondContact O-N 3.2Å; D278-I280 VanDerWaalsContact O-N 3.07Å; I280-E282 VanDerWaalsContact C-N 3.32Å; I280-E282 PolarHBondContact O-N 3.14Å; I280-E283 WeakPolarHBondContact O-CG 3.44Å; I280-E283 PolarHBondContact O-N 2.87Å; I280-L284 HydrophobicContact CG2-CD1 3.83Å; I280-L284 HydrophobicContact CG2-CG 4.14Å; I280-L284 WeakPolarHBondContact O-CB 3.45Å; I280-L284 VanDerWaalsContact O-CG 3.29Å; I280-L284 WeakPolarHBondContact O-CG 3.15Å; I280-L284 PolarHBondContact O-N 3.09Å |
| 281 | S | 64.1 | Low | 63.6 | Low | 60 Ų | 60 | 122.1 Ų | 122.1 | 42% | 0.42 | 66% | 0.661 | S | S | . | * | H | α-helix | trans | -66.8 | -32.8 | 178.2 | 72.7 | 0 | 0 | 0 | 0 | 112.5 | D278 S279 N285 | D278-S281 VanDerWaalsContact O-CB 3.27Å; D278-S281 WeakPolarHBondContact O-CB 3.34Å; D278-S281 PolarHBondContact O-N 3.2Å; D278-S281 PolarHBondContact O-OG 2.69Å; S279-S281 VanDerWaalsContact C-N 3.29Å; S281-N285 PolarHBondContact O-N 2.98Å; S281-N285 VanDerWaalsContact O-N 3.1Å; S281-N285 PolarHBondContact O-ND2 3.15Å |
| 282 | E | 66.4 | Low | 64.8 | Low | 136 Ų | 136 | 122.2 Ų | 122.2 | 64% | 0.636 | 66% | 0.661 | S | S | * | * | H | α-helix | trans | -68 | -46.8 | 177 | -168.9 | 179.6 | 173.2 | 0 | 0 | 111.5 | S279 I280 L284 N285 H286 | S279-E282 PolarHBondContact O-N 3.09Å; I280-E282 VanDerWaalsContact C-N 3.32Å; I280-E282 PolarHBondContact O-N 3.14Å; E282-L284 PolarHBondContact O-N 3.08Å; E282-N285 PolarHBondContact O-N 2.81Å; E282-H286 PolarHBondContact O-CE1 3.48Å; E282-H286 PolarHBondContact O-ND1 3.09Å |
| 283 | E | 65.7 | Low | 65.8 | Low | 127 Ų | 127 | 118.4 Ų | 118.4 | 59% | 0.593 | 65% | 0.649 | S | S | * | * | H | α-helix | trans | -66.9 | -34.1 | 177.1 | 57 | 174 | -165.8 | 0 | 0 | 112.7 | I280 N285 H286 | I280-E283 WeakPolarHBondContact O-CG 3.44Å; I280-E283 PolarHBondContact O-N 2.87Å; E283-N285 PolarHBondContact O-N 2.96Å; E283-H286 WeakPolarHBondContact O-CB 3.49Å; E283-H286 PolarHBondContact O-N 3.45Å |
| 284 | L | 64.1 | Low | 66.9 | Low | 112 Ų | 112 | 120.7 Ų | 120.7 | 59% | 0.586 | 66% | 0.662 | S | S | * | * | H | α-helix | trans | -68.4 | -32.3 | 175.1 | -70.8 | 176.8 | 0 | 0 | 0 | 113 | I280 E282 H286 F287 | I280-L284 HydrophobicContact CG2-CD1 3.83Å; I280-L284 HydrophobicContact CG2-CG 4.14Å; I280-L284 WeakPolarHBondContact O-CB 3.45Å; I280-L284 VanDerWaalsContact O-CG 3.29Å; I280-L284 WeakPolarHBondContact O-CG 3.15Å; I280-L284 PolarHBondContact O-N 3.09Å; E282-L284 PolarHBondContact O-N 3.08Å; L284-H286 PolarHBondContact O-N 3.02Å; L284-F287 WeakPolarHBondContact O-CB 3.37Å; L284-F287 PolarHBondContact O-N 3.08Å |
| 285 | N | 63.5 | Low | 67.9 | Low | 126 Ų | 126 | 120.1 Ų | 120.1 | 67% | 0.674 | 66% | 0.66 | S | S | * | * | H | α-helix | trans | -64.1 | -17.8 | 174 | -80.9 | -45.5 | 0 | 0 | 0 | 113.6 | S281 E282 E283 | S281-N285 PolarHBondContact O-N 2.98Å; S281-N285 VanDerWaalsContact O-N 3.1Å; S281-N285 PolarHBondContact O-ND2 3.15Å; E282-N285 PolarHBondContact O-N 2.81Å; E283-N285 PolarHBondContact O-N 2.96Å |
| 286 | H | 66.3 | Low | 69 | Low | 147 Ų | 147 | 118.6 Ų | 118.6 | 68% | 0.681 | 66% | 0.662 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -79.6 | -18.8 | 171.8 | -66.9 | 82.1 | 0 | 0 | 0 | 112.9 | E282 E283 L284 K288 | E282-H286 PolarHBondContact O-CE1 3.48Å; E282-H286 PolarHBondContact O-ND1 3.09Å; E283-H286 WeakPolarHBondContact O-CB 3.49Å; E283-H286 PolarHBondContact O-N 3.45Å; L284-H286 PolarHBondContact O-N 3.02Å; H286-K288 VanDerWaalsContact C-N 3.27Å; H286-K288 PolarHBondContact O-N 2.82Å |
| 287 | F | 73.1 | Confident | 70.2 | Confident | 164 Ų | 164 | 119.6 Ų | 119.6 | 72% | 0.719 | 67% | 0.667 | S | S | * | * | | | trans | -82.6 | 67 | -179.6 | -158.8 | -92.5 | 0 | 0 | 0 | 112.3 | L284 P289 | L284-F287 WeakPolarHBondContact O-CB 3.37Å; L284-F287 PolarHBondContact O-N 3.08Å; F287-P289 VanDerWaalsContact O-CD 3.24Å; F287-P289 WeakPolarHBondContact O-CD 3.48Å |
| 288 | K | 78.4 | Confident | 71.2 | Confident | 181 Ų | 181 | 117.3 Ų | 117.3 | 79% | 0.787 | 66% | 0.659 | S | S | * | * | | | trans | -67.4 | 112.4 | 163.3 | -68.1 | -178.7 | -179.6 | 178.3 | 0 | 107.9 | H286 I290 | H286-K288 VanDerWaalsContact C-N 3.27Å; H286-K288 PolarHBondContact O-N 2.82Å; K288-I290 PolarHBondContact O-N 3.25Å |
| 289 | P | 76.3 | Confident | 72.3 | Confident | 91 Ų | 91 | 119.2 Ų | 119.2 | 59% | 0.591 | 66% | 0.662 | S | S | * | * | | | trans | -61.6 | 135.9 | -177.8 | 25.9 | -34.1 | 0 | 0 | 0 | 109.4 | F287 V291 | F287-P289 VanDerWaalsContact O-CD 3.24Å; F287-P289 WeakPolarHBondContact O-CD 3.48Å; P289-V291 VanDerWaalsContact C-N 3.3Å; P289-V291 WeakPolarHBondContact O-CG2 3.4Å; P289-V291 PolarHBondContact O-N 2.99Å |
| 290 | I | 73.8 | Confident | 73.7 | Confident | 139 Ų | 139 | 123 Ų | 123 | 71% | 0.713 | 66% | 0.662 | S | S | * | * | | | trans | -73.7 | 86.3 | -175.9 | -60.1 | 177 | 0 | 0 | 0 | 108.8 | K288 C292 | K288-I290 PolarHBondContact O-N 3.25Å; I290-C292 WeakPolarHBondContact CG2-O 3.13Å; I290-C292 PolarHBondContact O-N 2.83Å |
| 291 | V | 73.5 | Confident | 75 | Confident | 136 Ų | 136 | 121.6 Ų | 121.6 | 82% | 0.824 | 66% | 0.655 | S | S | * | * | S | Bend | trans | -57.8 | -33.7 | -177.4 | -174.5 | 0 | 0 | 0 | 0 | 111.9 | P289 | P289-V291 VanDerWaalsContact C-N 3.3Å; P289-V291 WeakPolarHBondContact O-CG2 3.4Å; P289-V291 PolarHBondContact O-N 2.99Å |
| 292 | C | 73.1 | Confident | 76.2 | Confident | 99 Ų | 99 | 125.4 Ų | 125.4 | 67% | 0.669 | 68% | 0.678 | S | S | * | * | S | Bend | trans | -127.2 | 121.9 | 178 | -57.2 | 0 | 0 | 0 | 0 | 108.9 | I290 | I290-C292 WeakPolarHBondContact CG2-O 3.13Å; I290-C292 PolarHBondContact O-N 2.83Å |
| 293 | S | 75.9 | Confident | 77.3 | Confident | 90 Ų | 90 | 123.7 Ų | 123.7 | 63% | 0.629 | 67% | 0.674 | S | S | * | * | | | trans | -55.7 | 134.1 | 169.5 | 57.8 | 0 | 0 | 0 | 0 | 109.6 | C295 | S293-C295 PolarHBondContact O-N 3.07Š|
| 294 | P | 70.3 | Confident | 78.4 | Confident | 113 Ų | 113 | 119.7 Ų | 119.7 | 73% | 0.734 | 67% | 0.666 | S | S | * | * | | | trans | -61.3 | 103.8 | -176.9 | 23.5 | -33.4 | 0 | 0 | 0 | 110.7 | T296 | P294-T296 PolarHBondContact O-N 3.46Å; P294-T296 VanDerWaalsContact O-N 3.14Å |
| 295 | C | 78.1 | Confident | 79.7 | Confident | 116 Ų | 116 | 122.6 Ų | 122.6 | 78% | 0.784 | 67% | 0.669 | S | S | * | * | P | Polyproline II helix | trans | -61.6 | 116.5 | -175.3 | -69 | 0 | 0 | 0 | 0 | 110.2 | S293 | S293-C295 PolarHBondContact O-N 3.07Š|
| 296 | T | 81.3 | Confident | 80.8 | Confident | 130 Ų | 130 | 121.1 Ų | 121.1 | 80% | 0.798 | 66% | 0.661 | S | S | * | * | P | Polyproline II helix | trans | -63.3 | 124.2 | 170.7 | -54.6 | 0 | 0 | 0 | 0 | 108 | P294 | P294-T296 PolarHBondContact O-N 3.46Å; P294-T296 VanDerWaalsContact O-N 3.14Å |
| 297 | P | 79.6 | Confident | 81.9 | Confident | 104 Ų | 104 | 117.7 Ų | 117.7 | 68% | 0.675 | 65% | 0.647 | S | S | * | * | P | Polyproline II helix | trans | -60.4 | 141.2 | -175.5 | 22.9 | -33.3 | 0 | 0 | 0 | 110.6 | K299 | P297-K299 PolarHBondContact O-N 3.29Š|
| 298 | P | 81.9 | Confident | 82.3 | Confident | 86 Ų | 86 | 117.5 Ų | 117.5 | 56% | 0.558 | 65% | 0.649 | S | S | * | * | P | Polyproline II helix | trans | -60.6 | 123.9 | -175.6 | 25 | -34.1 | 0 | 0 | 0 | 109.8 | R300 L306 | P298-R300 PolarHBondContact O-N 3.38Å; P298-L306 HydrophobicContact CB-CD1 4.41Å; P298-L306 HydrophobicContact CB-CD2 4.13Å; P298-L306 HydrophobicContact CG-CD1 4.36Å; P298-L306 HydrophobicContact CG-CD2 3.95Å |
| 299 | K | 87.3 | Confident | 82.5 | Confident | 149 Ų | 149 | 114.1 Ų | 114.1 | 65% | 0.648 | 65% | 0.645 | S | S | * | * | P | Polyproline II helix | trans | -56.8 | 137.2 | -177.7 | 177.5 | 169.7 | 171.3 | -171.8 | 0 | 109.9 | P297 L307 | P297-K299 PolarHBondContact O-N 3.29Å; K299-L307 HydrophobicContact CB-CB 4.38Å; K299-L307 HydrophobicContact CB-CD2 4.44Å; K299-L307 HydrophobicContact CD-CD2 3.66Å; K299-L307 HydrophobicContact CG-CB 4.29Å; K299-L307 HydrophobicContact CG-CD2 4.01Å; K299-L307 WeakPolarHBondContact O-CB 3.32Å; K299-L307 PolarHBondContact O-N 2.87Å |
| 300 | R | 92.6 | Very high | 82.6 | Confident | 174 Ų | 174 | 116 Ų | 116 | 66% | 0.657 | 66% | 0.655 | S | S | * | * | B | Isolated β-bridge | trans | -102.1 | 153.9 | 175.6 | -66 | -178.8 | -175.7 | -172.2 | 0.9 | 111.9 | P298 G304 R305 L306 | P298-R300 PolarHBondContact O-N 3.38Å; R300-G304 WeakPolarHBondContact CD-O 3.43Å; R300-R305 CarbonylContact C-O 3.51Å; R300-R305 WeakPolarHBondContact CA-O 3.24Å; R300-L306 HydrophobicContact CG-CD2 4Å |
| 301 | L | 89.5 | Confident | 82.9 | Confident | 73 Ų | 73 | 115 Ų | 115 | 38% | 0.382 | 66% | 0.655 | S | S | . | * | P | Polyproline II helix | trans | -80.9 | 166.7 | 165.7 | -78.1 | 170.3 | 0 | 0 | 0 | 110.3 | D303 G304 R305 L307 | L301-D303 WeakPolarHBondContact CB-OD1 3.41Å; L301-D303 PolarHBondContact O-N 3.43Å; L301-G304 PolarHBondContact O-N 2.85Å; L301-R305 PolarHBondContact N-O 3.41Å; L301-L307 HydrophobicContact CD2-CD1 3.81Å; L301-L307 HydrophobicContact CG-CB 4.32Å; L301-L307 HydrophobicContact CG-CD1 4.08Å |
| 302 | P | 89.3 | Confident | 83.1 | Confident | 140 Ų | 140 | 114.1 Ų | 114.1 | 91% | 0.909 | 65% | 0.65 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -62.9 | -20.4 | 178.2 | -22.9 | 35 | 0 | 0 | 0 | 114.6 | G304 | P302-G304 PolarHBondContact O-N 2.83Š|
| 303 | D | 89.1 | Confident | 82.9 | Confident | 101 Ų | 101 | 118.2 Ų | 118.2 | 54% | 0.54 | 66% | 0.656 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -83.1 | 5.7 | 173.2 | 63.4 | 6.3 | 0 | 0 | 0 | 113.2 | L301 R305 | L301-D303 WeakPolarHBondContact CB-OD1 3.41Å; L301-D303 PolarHBondContact O-N 3.43Å; D303-R305 VanDerWaalsContact C-N 3.25Å; D303-R305 PolarHBondContact O-N 3.38Å; D303-R305 VanDerWaalsContact OD1-CB 3.29Å; D303-R305 WeakPolarHBondContact OD1-CB 3.21Å; D303-R305 WeakPolarHBondContact OD1-CG 3.42Å; D303-R305 PolarHBondContact OD1-N 3.23Å; D303-R305 VanDerWaalsContact OD2-CD 3.25Å; D303-R305 WeakPolarHBondContact OD2-CD 3.5Å |
| 304 | G | 89 | Confident | 82.5 | Confident | 42 Ų | 42 | 117.8 Ų | 117.8 | 43% | 0.433 | 66% | 0.659 | S | S | . | * | S | Bend | trans | 80.3 | -9.4 | -178.9 | 0 | 0 | 0 | 0 | 0 | 115.3 | R300 L301 P302 | R300-G304 WeakPolarHBondContact CD-O 3.43Å; L301-G304 PolarHBondContact O-N 2.85Å; P302-G304 PolarHBondContact O-N 2.83Å |
| 305 | R | 91.2 | Very high | 82.3 | Confident | 173 Ų | 173 | 117.6 Ų | 117.6 | 65% | 0.653 | 66% | 0.656 | S | S | * | * | | | trans | -68.7 | 154.4 | 179.2 | -61.8 | 174.2 | 68.6 | -174.7 | -0.5 | 110.8 | R300 L301 D303 L307 | R300-R305 CarbonylContact C-O 3.51Å; R300-R305 WeakPolarHBondContact CA-O 3.24Å; L301-R305 PolarHBondContact N-O 3.41Å; D303-R305 VanDerWaalsContact C-N 3.25Å; D303-R305 PolarHBondContact O-N 3.38Å; D303-R305 VanDerWaalsContact OD1-CB 3.29Å; D303-R305 WeakPolarHBondContact OD1-CB 3.21Å; D303-R305 WeakPolarHBondContact OD1-CG 3.42Å; D303-R305 PolarHBondContact OD1-N 3.23Å; D303-R305 VanDerWaalsContact OD2-CD 3.25Å; D303-R305 WeakPolarHBondContact OD2-CD 3.5Å; R305-L307 PolarHBondContact O-N 3.35Å |
| 306 | L | 87.8 | Confident | 81.5 | Confident | 96 Ų | 96 | 115.5 Ų | 115.5 | 50% | 0.503 | 64% | 0.641 | S | S | . | * | B | Isolated β-bridge | trans | -66.8 | 133.1 | 171.9 | -58.7 | -171.2 | 0 | 0 | 0 | 109.7 | P298 R300 E308 | P298-L306 HydrophobicContact CB-CD1 4.41Å; P298-L306 HydrophobicContact CB-CD2 4.13Å; P298-L306 HydrophobicContact CG-CD1 4.36Å; P298-L306 HydrophobicContact CG-CD2 3.95Å; R300-L306 HydrophobicContact CG-CD2 4Å; L306-E308 PolarHBondContact O-N 2.95Å |
| 307 | L | 88.1 | Confident | 80.7 | Confident | 74 Ų | 74 | 120.3 Ų | 120.3 | 39% | 0.387 | 64% | 0.644 | S | S | . | * | | | trans | -75.7 | 91.4 | 167.9 | 179.6 | 73.8 | 0 | 0 | 0 | 108 | K299 L301 R305 | K299-L307 HydrophobicContact CB-CB 4.38Å; K299-L307 HydrophobicContact CB-CD2 4.44Å; K299-L307 HydrophobicContact CD-CD2 3.66Å; K299-L307 HydrophobicContact CG-CB 4.29Å; K299-L307 HydrophobicContact CG-CD2 4.01Å; K299-L307 WeakPolarHBondContact O-CB 3.32Å; K299-L307 PolarHBondContact O-N 2.87Å; L301-L307 HydrophobicContact CD2-CD1 3.81Å; L301-L307 HydrophobicContact CG-CB 4.32Å; L301-L307 HydrophobicContact CG-CD1 4.08Å; R305-L307 PolarHBondContact O-N 3.35Å |
| 308 | E | 83.2 | Confident | 79.8 | Confident | 161 Ų | 161 | 122.7 Ų | 122.7 | 75% | 0.752 | 65% | 0.651 | S | S | * | * | | | trans | -59 | 124.8 | 171.1 | -67.7 | 179.6 | -175.4 | 0 | 0 | 109.8 | L306 T310 | L306-E308 PolarHBondContact O-N 2.95Å; E308-T310 PolarHBondContact O-N 2.95Å |
| 309 | P | 81 | Confident | 78.6 | Confident | 109 Ų | 109 | 122.5 Ų | 122.5 | 71% | 0.708 | 65% | 0.645 | S | S | * | * | | | trans | -67.7 | 118.2 | 176.3 | 27.6 | -32.5 | 0 | 0 | 0 | 108.5 | V311 | P309-V311 PolarHBondContact O-N 3.38Š|
| 310 | T | 79.9 | Confident | 77.3 | Confident | 130 Ų | 130 | 120.2 Ų | 120.2 | 80% | 0.798 | 65% | 0.648 | S | S | * | * | | | trans | -62.1 | 96.9 | -179.3 | -45.8 | 0 | 0 | 0 | 0 | 110.4 | E308 V312 | E308-T310 PolarHBondContact O-N 2.95Å; T310-V312 VanDerWaalsContact C-N 3.28Å; T310-V312 HydrophobicContact CG2-CG2 4.41Å; T310-V312 PolarHBondContact O-N 2.79Å |
| 311 | V | 79.3 | Confident | 75.7 | Confident | 119 Ų | 119 | 123.4 Ų | 123.4 | 72% | 0.721 | 66% | 0.66 | S | S | * | * | | | trans | -70.9 | 87.7 | 175.8 | -177 | 0 | 0 | 0 | 0 | 108.2 | P309 K313 | P309-V311 PolarHBondContact O-N 3.38Å; V311-K313 VanDerWaalsContact C-N 3.27Å; V311-K313 HydrophobicContact CG1-CG 4.47Å; V311-K313 PolarHBondContact O-N 3.5Å |
| 312 | V | 77.5 | Confident | 74.2 | Confident | 118 Ų | 118 | 124.6 Ų | 124.6 | 72% | 0.715 | 67% | 0.674 | S | S | * | * | | | trans | -65.3 | 93.3 | 169.6 | -178.3 | 0 | 0 | 0 | 0 | 107.4 | T310 A314 | T310-V312 VanDerWaalsContact C-N 3.28Å; T310-V312 HydrophobicContact CG2-CG2 4.41Å; T310-V312 PolarHBondContact O-N 2.79Å; V312-A314 PolarHBondContact O-N 3.46Å |
| 313 | K | 70.1 | Confident | 72.6 | Confident | 184 Ų | 184 | 123.5 Ų | 123.5 | 80% | 0.8 | 66% | 0.66 | S | S | * | * | | | trans | -63.3 | 83 | 164 | -76.2 | -176.1 | 176.3 | 177.8 | 0 | 107.8 | V311 T315 | V311-K313 VanDerWaalsContact C-N 3.27Å; V311-K313 HydrophobicContact CG1-CG 4.47Å; V311-K313 PolarHBondContact O-N 3.5Å; K313-T315 PolarHBondContact O-N 3.36Å |
| 314 | A | 67.6 | Low | 71 | Confident | 82 Ų | 82 | 128 Ų | 128 | 68% | 0.678 | 68% | 0.678 | S | S | * | * | | | trans | -70.8 | 77.7 | 172.6 | 0 | 0 | 0 | 0 | 0 | 108.5 | V312 P316 | V312-A314 PolarHBondContact O-N 3.46Å; A314-P316 WeakPolarHBondContact O-CD 3.42Å |
| 315 | T | 64.7 | Low | 69.7 | Low | 109 Ų | 109 | 134.6 Ų | 134.6 | 67% | 0.669 | 70% | 0.695 | S | S | * | * | | | trans | -55.9 | 110.1 | 168.6 | -52.5 | 0 | 0 | 0 | 0 | 107.1 | K313 R317 | K313-T315 PolarHBondContact O-N 3.36Å; T315-R317 PolarHBondContact O-N 3.3Å |
| 316 | P | 62.6 | Low | 68 | Low | 72 Ų | 72 | 130.5 Ų | 130.5 | 47% | 0.468 | 70% | 0.698 | S | S | . | * | | | trans | -64.3 | 133.9 | 178.6 | 28.3 | -33.7 | 0 | 0 | 0 | 107.4 | A314 N318 L319 | A314-P316 WeakPolarHBondContact O-CD 3.42Å; P316-N318 PolarHBondContact O-N 3.08Å; P316-L319 HydrophobicContact CG-CB 4.41Å; P316-L319 HydrophobicContact CG-CD1 3.55Å; P316-L319 HydrophobicContact CG-CG 3.84Å; P316-L319 PolarHBondContact O-N 2.93Å; P316-L319 VanDerWaalsContact O-N 3.09Å |
| 317 | R | 63.6 | Low | 66.3 | Low | 230 Ų | 230 | 132.2 Ų | 132.2 | 87% | 0.868 | 71% | 0.713 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -55.6 | -13.8 | -170.5 | -74.7 | -179.6 | 167 | 137.4 | -4.4 | 114.7 | T315 | T315-R317 PolarHBondContact O-N 3.3Š|
| 318 | N | 59.8 | Low | 64.8 | Low | 154 Ų | 154 | 133.4 Ų | 133.4 | 82% | 0.824 | 73% | 0.727 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -94.1 | -1.5 | -175 | -54.6 | -5.8 | 0 | 0 | 0 | 114.2 | P316 | P316-N318 PolarHBondContact O-N 3.08Š|
| 319 | L | 58 | Low | 63.3 | Low | 82 Ų | 82 | 136.1 Ų | 136.1 | 43% | 0.429 | 73% | 0.732 | S | S | . | * | | | trans | -100.2 | 4.9 | -179.1 | -71.6 | -177.3 | 0 | 0 | 0 | 115.2 | P316 R321 L323 | P316-L319 HydrophobicContact CG-CB 4.41Å; P316-L319 HydrophobicContact CG-CD1 3.55Å; P316-L319 HydrophobicContact CG-CG 3.84Å; P316-L319 PolarHBondContact O-N 2.93Å; P316-L319 VanDerWaalsContact O-N 3.09Å; L319-R321 PolarHBondContact O-N 3.25Å; L319-L323 HydrophobicContact CD1-CD1 4.15Å |
| 320 | S | 58.5 | Low | 62.9 | Low | 102 Ų | 102 | 138.9 Ų | 138.9 | 71% | 0.713 | 74% | 0.735 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -70.6 | 10.1 | -171.8 | 54.6 | 0 | 0 | 0 | 0 | 116.6 | | |
| 321 | R | 60.3 | Low | 62.8 | Low | 241 Ų | 241 | 134 Ų | 134 | 91% | 0.909 | 71% | 0.708 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -132.6 | -4.3 | -170.9 | -84.5 | -171 | 174.5 | -93.3 | 2 | 118.4 | L319 | L319-R321 PolarHBondContact O-N 3.25Š|
| 322 | S | 58.3 | Low | 63 | Low | 98 Ų | 98 | 131.6 Ų | 131.6 | 69% | 0.685 | 70% | 0.696 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -154.9 | -8.7 | -176.8 | 59.6 | 0 | 0 | 0 | 0 | 118.9 | Q324 | S322-Q324 PolarHBondContact O-N 3.38Š|
| 323 | L | 55.5 | Low | 63.3 | Low | 117 Ų | 117 | 130.4 Ų | 130.4 | 61% | 0.613 | 69% | 0.691 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -84.7 | 45.8 | -175.2 | -137 | 171.8 | 0 | 0 | 0 | 113.6 | L319 | L319-L323 HydrophobicContact CD1-CD1 4.15Š|
| 324 | Q | 55 | Low | 64.1 | Low | 194 Ų | 194 | 124.1 Ų | 124.1 | 91% | 0.907 | 67% | 0.673 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -92.9 | -5.2 | 169 | -81.2 | -170.5 | -23.5 | 0 | 0 | 113.3 | S322 A326 | S322-Q324 PolarHBondContact O-N 3.38Å; Q324-A326 PolarHBondContact O-N 3.07Å; Q324-A326 VanDerWaalsContact O-N 3.09Å |
| 325 | K | 62.3 | Low | 65.2 | Low | 182 Ų | 182 | 123.3 Ų | 123.3 | 79% | 0.791 | 66% | 0.66 | S | S | * | * | S | Bend | trans | -68.4 | 107 | 167.6 | -64.4 | -174.5 | 179.7 | -174.2 | 0 | 108.1 | T327 | K325-T327 PolarHBondContact O-N 3.46Š|
| 326 | A | 55.8 | Low | 66.4 | Low | 87 Ų | 87 | 122.1 Ų | 122.1 | 72% | 0.719 | 65% | 0.649 | S | S | * | * | | | trans | -53.3 | 137.5 | 169.3 | 0 | 0 | 0 | 0 | 0 | 109.1 | Q324 S328 | Q324-A326 PolarHBondContact O-N 3.07Å; Q324-A326 VanDerWaalsContact O-N 3.09Å; A326-S328 PolarHBondContact O-N 3.22Å |
| 327 | T | 51.8 | Low | 67.9 | Low | 132 Ų | 132 | 124.9 Ų | 124.9 | 81% | 0.81 | 66% | 0.656 | S | S | * | * | | | trans | -75.7 | 73.9 | 177.1 | 51.1 | 0 | 0 | 0 | 0 | 109.7 | K325 Y329 | K325-T327 PolarHBondContact O-N 3.46Å; T327-Y329 PolarHBondContact O-N 3.5Å; T327-Y329 VanDerWaalsContact O-N 3.09Å |
| 328 | S | 55.4 | Low | 69.4 | Low | 98 Ų | 98 | 120.6 Ų | 120.6 | 69% | 0.685 | 64% | 0.644 | S | S | * | * | | | trans | -58.3 | 108.5 | 169.3 | 52.4 | 0 | 0 | 0 | 0 | 108.8 | A326 E330 | A326-S328 PolarHBondContact O-N 3.22Å; S328-E330 PolarHBondContact O-N 3.31Å |
| 329 | Y | 52.1 | Low | 71.1 | Confident | 219 Ų | 219 | 121.3 Ų | 121.3 | 86% | 0.859 | 64% | 0.635 | S | S | * | * | | | trans | -77.8 | 58.1 | 175.7 | -173 | -101.8 | 0 | 0 | 0 | 110.2 | T327 A331 | T327-Y329 PolarHBondContact O-N 3.5Å; T327-Y329 VanDerWaalsContact O-N 3.09Å; Y329-A331 PolarHBondContact O-N 3.19Å |
| 330 | E | 72.8 | Confident | 72.8 | Confident | 166 Ų | 166 | 126.4 Ų | 126.4 | 78% | 0.776 | 65% | 0.648 | S | S | * | * | | | trans | -76.3 | 109.8 | 165.3 | -82.8 | -58.4 | 148.8 | 0 | 0 | 108.1 | S328 S332 | S328-E330 PolarHBondContact O-N 3.31Å; E330-S332 PolarHBondContact O-N 3.1Å |
| 331 | A | 77.6 | Confident | 74.5 | Confident | 28 Ų | 28 | 127.3 Ų | 127.3 | 23% | 0.231 | 64% | 0.641 | C | S | . | * | | | trans | -68 | 126.5 | 178.5 | 0 | 0 | 0 | 0 | 0 | 109.4 | Y329 L336 | Y329-A331 PolarHBondContact O-N 3.19Å; A331-L336 HydrophobicContact CB-CD2 4.04Å; A331-L336 HydrophobicContact CB-CG 4.18Å |
| 332 | S | 83.3 | Confident | 76.1 | Confident | 68 Ų | 68 | 119.7 Ų | 119.7 | 48% | 0.476 | 62% | 0.618 | S | S | . | * | | | trans | -47.9 | 134.3 | -179.4 | 176.9 | 0 | 0 | 0 | 0 | 111.4 | E330 A334 V335 L336 | E330-S332 PolarHBondContact O-N 3.1Å; S332-A334 PolarHBondContact O-N 3.19Å; S332-V335 WeakPolarHBondContact O-CA 3.29Å; S332-V335 WeakPolarHBondContact O-CB 3.48Å; S332-V335 PolarHBondContact O-N 3.33Å; S332-L336 PolarHBondContact O-N 2.96Å |
| 333 | P | 85 | Confident | 77.7 | Confident | 94 Ų | 94 | 119.7 Ų | 119.7 | 61% | 0.61 | 61% | 0.607 | S | S | * | * | H | α-helix | trans | -53 | -34 | -178 | -30.6 | 36.2 | 0 | 0 | 0 | 114 | V335 L336 Q337 | P333-V335 VanDerWaalsContact C-N 3.31Å; P333-V335 PolarHBondContact O-N 3.34Å; P333-L336 PolarHBondContact O-N 3.46Å; P333-Q337 WeakPolarHBondContact O-CG 3.35Å; P333-Q337 PolarHBondContact O-N 3.05Å |
| 334 | A | 87.1 | Confident | 79.5 | Confident | 51 Ų | 51 | 119.1 Ų | 119.1 | 42% | 0.421 | 60% | 0.604 | S | S | . | * | H | α-helix | trans | -66.5 | -28.7 | 175.5 | 0 | 0 | 0 | 0 | 0 | 113.5 | S332 K338 | S332-A334 PolarHBondContact O-N 3.19Å; A334-K338 WeakPolarHBondContact O-CG 3.27Å; A334-K338 PolarHBondContact O-N 3.28Å; A334-K338 VanDerWaalsContact O-N 3.1Å |
| 335 | V | 89.6 | Confident | 81.2 | Confident | 66 Ų | 66 | 114.7 Ų | 114.7 | 40% | 0.4 | 59% | 0.587 | S | S | . | * | H | α-helix | trans | -72.4 | -44.5 | 172.8 | 175.5 | 0 | 0 | 0 | 0 | 109.9 | S332 P333 Q337 K338 W339 | S332-V335 WeakPolarHBondContact O-CA 3.29Å; S332-V335 WeakPolarHBondContact O-CB 3.48Å; S332-V335 PolarHBondContact O-N 3.33Å; P333-V335 VanDerWaalsContact C-N 3.31Å; P333-V335 PolarHBondContact O-N 3.34Å; V335-Q337 VanDerWaalsContact C-N 3.34Å; V335-Q337 PolarHBondContact O-N 3.2Å; V335-K338 PolarHBondContact O-N 3.09Å; V335-W339 PolarHBondContact O-N 3.19Å |
| 336 | L | 90.9 | Very high | 82.6 | Confident | 83 Ų | 83 | 114.5 Ų | 114.5 | 44% | 0.435 | 58% | 0.581 | S | S | . | * | H | α-helix | trans | -63.1 | -38.9 | 176.1 | -63.3 | 176.7 | 0 | 0 | 0 | 112.2 | A331 S332 P333 W339 R340 | A331-L336 HydrophobicContact CB-CD2 4.04Å; A331-L336 HydrophobicContact CB-CG 4.18Å; S332-L336 PolarHBondContact O-N 2.96Å; P333-L336 PolarHBondContact O-N 3.46Å; L336-W339 PolarHBondContact O-N 3.24Å; L336-R340 WeakPolarHBondContact O-CG 3.37Å; L336-R340 PolarHBondContact O-N 3.06Å |
| 337 | Q | 92.7 | Very high | 83.9 | Confident | 131 Ų | 131 | 116.4 Ų | 116.4 | 61% | 0.612 | 58% | 0.575 | S | S | * | * | H | α-helix | trans | -62.2 | -43.4 | 171.8 | -75 | 172.1 | -19 | 0 | 0 | 112.1 | P333 V335 W339 R340 Q341 | P333-Q337 WeakPolarHBondContact O-CG 3.35Å; P333-Q337 PolarHBondContact O-N 3.05Å; V335-Q337 VanDerWaalsContact C-N 3.34Å; V335-Q337 PolarHBondContact O-N 3.2Å; Q337-W339 PolarHBondContact O-N 3.42Å; Q337-R340 PolarHBondContact O-N 2.89Å; Q337-Q341 PolarHBondContact O-N 2.66Å |
| 338 | K | 95.8 | Very high | 85.2 | Confident | 140 Ų | 140 | 112.9 Ų | 112.9 | 61% | 0.609 | 57% | 0.565 | S | S | * | * | H | α-helix | trans | -62.3 | -40 | 174.5 | -78.2 | -178.1 | 178.7 | -173.2 | 0 | 112.6 | A334 V335 Q341 I342 | A334-K338 WeakPolarHBondContact O-CG 3.27Å; A334-K338 PolarHBondContact O-N 3.28Å; A334-K338 VanDerWaalsContact O-N 3.1Å; V335-K338 PolarHBondContact O-N 3.09Å; K338-Q341 PolarHBondContact O-N 3.43Å; K338-I342 WeakPolarHBondContact O-CD1 3.34Å; K338-I342 VanDerWaalsContact O-CG1 3.27Å; K338-I342 WeakPolarHBondContact O-CG1 3.41Å; K338-I342 PolarHBondContact O-N 3.35Å |
| 339 | W | 94.5 | Very high | 85.8 | Confident | 168 Ų | 168 | 113.7 Ų | 113.7 | 64% | 0.636 | 56% | 0.561 | S | S | * | * | H | α-helix | trans | -62.9 | -43 | 174.2 | -75.9 | 113.4 | 0 | 0 | 0 | 112.5 | V335 L336 Q337 Q341 I342 E343 | V335-W339 PolarHBondContact O-N 3.19Å; L336-W339 PolarHBondContact O-N 3.24Å; Q337-W339 PolarHBondContact O-N 3.42Å; W339-Q341 VanDerWaalsContact C-N 3.31Å; W339-Q341 PolarHBondContact O-N 3.49Å; W339-I342 HydrophobicContact CE3-CD1 4.38Å; W339-I342 PolarHBondContact O-N 3.5Å; W339-E343 PolarHBondContact O-N 2.8Å |
| 340 | R | 94.4 | Very high | 86.5 | Confident | 189 Ų | 189 | 112.4 Ų | 112.4 | 71% | 0.713 | 56% | 0.56 | S | S | * | * | H | α-helix | trans | -60.6 | -39.7 | 173.1 | -69.9 | 177.9 | -178.2 | -174.9 | 0.5 | 112.2 | L336 Q337 E343 L344 | L336-R340 WeakPolarHBondContact O-CG 3.37Å; L336-R340 PolarHBondContact O-N 3.06Å; Q337-R340 PolarHBondContact O-N 2.89Å; R340-E343 PolarHBondContact O-N 2.83Å; R340-L344 WeakPolarHBondContact O-CG 3.35Å; R340-L344 PolarHBondContact O-N 3.31Å; R340-L344 VanDerWaalsContact O-N 3.07Å |
| 341 | Q | 93.8 | Very high | 85.7 | Confident | 121 Ų | 121 | 109.1 Ų | 109.1 | 57% | 0.565 | 55% | 0.551 | S | S | * | * | H | α-helix | trans | -66.9 | -38.5 | 177.3 | -174.1 | 59.4 | 71.1 | 0 | 0 | 112.7 | Q337 K338 W339 D345 | Q337-Q341 PolarHBondContact O-N 2.66Å; K338-Q341 PolarHBondContact O-N 3.43Å; W339-Q341 VanDerWaalsContact C-N 3.31Å; W339-Q341 PolarHBondContact O-N 3.49Å; Q341-D345 WeakPolarHBondContact O-CB 3.5Å; Q341-D345 PolarHBondContact O-N 3.36Å |
| 342 | I | 93.5 | Very high | 84.3 | Confident | 81 Ų | 81 | 113.4 Ų | 113.4 | 42% | 0.415 | 58% | 0.579 | S | S | . | * | H | α-helix | trans | -66.4 | -39 | 175.1 | -69.3 | 161.7 | 0 | 0 | 0 | 110.7 | K338 W339 D345 R346 | K338-I342 WeakPolarHBondContact O-CD1 3.34Å; K338-I342 VanDerWaalsContact O-CG1 3.27Å; K338-I342 WeakPolarHBondContact O-CG1 3.41Å; K338-I342 PolarHBondContact O-N 3.35Å; W339-I342 HydrophobicContact CE3-CD1 4.38Å; W339-I342 PolarHBondContact O-N 3.5Å; I342-D345 PolarHBondContact O-N 2.66Å; I342-R346 HydrophobicContact CG2-CG 4.5Å; I342-R346 WeakPolarHBondContact O-CB 3.38Å; I342-R346 VanDerWaalsContact O-CG 3.23Å; I342-R346 WeakPolarHBondContact O-CG 3.37Å; I342-R346 PolarHBondContact O-N 3.31Å |
| 343 | E | 93.3 | Very high | 82.9 | Confident | 98 Ų | 98 | 115 Ų | 115 | 46% | 0.458 | 59% | 0.586 | S | S | . | * | H | α-helix | trans | -64.4 | -45 | 176.9 | -171.4 | 53.9 | -141.1 | 0 | 0 | 111.5 | W339 R340 D345 R346 Q347 | W339-E343 PolarHBondContact O-N 2.8Å; R340-E343 PolarHBondContact O-N 2.83Å; E343-D345 PolarHBondContact O-N 3.23Å; E343-R346 PolarHBondContact O-N 3.43Å; E343-Q347 WeakPolarHBondContact O-CG 3.19Å; E343-Q347 PolarHBondContact O-N 3.07Å; E343-Q347 PolarHBondContact OE1-NE2 2.97Å |
| 344 | L | 93.9 | Very high | 81.4 | Confident | 106 Ų | 106 | 122.5 Ų | 122.5 | 56% | 0.555 | 60% | 0.602 | S | S | * | * | H | α-helix | trans | -63.4 | -39.9 | 174.6 | -69.8 | 171.5 | 0 | 0 | 0 | 112.9 | R340 Q347 G348 | R340-L344 WeakPolarHBondContact O-CG 3.35Å; R340-L344 PolarHBondContact O-N 3.31Å; R340-L344 VanDerWaalsContact O-N 3.07Å; L344-Q347 PolarHBondContact O-N 2.83Å; L344-G348 PolarHBondContact O-N 2.94Å |
| 345 | D | 89.8 | Confident | 79.6 | Confident | 101 Ų | 101 | 122.9 Ų | 122.9 | 54% | 0.54 | 61% | 0.606 | S | S | . | * | H | α-helix | trans | -60.7 | -45.1 | 175.4 | -177.6 | 59.2 | 0 | 0 | 0 | 111.2 | Q341 I342 E343 Q347 G348 L349 | Q341-D345 WeakPolarHBondContact O-CB 3.5Å; Q341-D345 PolarHBondContact O-N 3.36Å; I342-D345 PolarHBondContact O-N 2.66Å; E343-D345 PolarHBondContact O-N 3.23Å; D345-Q347 VanDerWaalsContact C-N 3.31Å; D345-Q347 PolarHBondContact O-N 3.5Å; D345-G348 PolarHBondContact O-N 3.13Å; D345-L349 WeakPolarHBondContact O-CB 3.3Å; D345-L349 PolarHBondContact O-N 3.36Å |
| 346 | R | 90.7 | Very high | 77.7 | Confident | 178 Ų | 178 | 126.3 Ų | 126.3 | 67% | 0.672 | 63% | 0.627 | S | S | * | * | H | α-helix | trans | -64.8 | -31.4 | 176.8 | -69.9 | 174.7 | 66 | 70.7 | 4.9 | 113.7 | I342 E343 | I342-R346 HydrophobicContact CG2-CG 4.5Å; I342-R346 WeakPolarHBondContact O-CB 3.38Å; I342-R346 VanDerWaalsContact O-CG 3.23Å; I342-R346 WeakPolarHBondContact O-CG 3.37Å; I342-R346 PolarHBondContact O-N 3.31Å; E343-R346 PolarHBondContact O-N 3.43Å |
| 347 | Q | 84.3 | Confident | 75.6 | Confident | 126 Ų | 126 | 129.7 Ų | 129.7 | 59% | 0.589 | 65% | 0.645 | S | S | * | * | H | α-helix | trans | -80.1 | -31.3 | 175.3 | -67.5 | 175.3 | 18.7 | 0 | 0 | 112.4 | E343 L344 D345 | E343-Q347 WeakPolarHBondContact O-CG 3.19Å; E343-Q347 PolarHBondContact O-N 3.07Å; E343-Q347 PolarHBondContact OE1-NE2 2.97Å; L344-Q347 PolarHBondContact O-N 2.83Å; D345-Q347 VanDerWaalsContact C-N 3.31Å; D345-Q347 PolarHBondContact O-N 3.5Å |
| 348 | G | 78.6 | Confident | 73.2 | Confident | 59 Ų | 59 | 129.7 Ų | 129.7 | 61% | 0.608 | 65% | 0.654 | S | S | * | * | H | α-helix | trans | -75 | -29.9 | 174.1 | 0 | 0 | 0 | 0 | 0 | 113.9 | L344 D345 K350 | L344-G348 PolarHBondContact O-N 2.94Å; D345-G348 PolarHBondContact O-N 3.13Å; G348-K350 VanDerWaalsContact C-N 3.28Å; G348-K350 PolarHBondContact O-N 2.84Å |
| 349 | L | 68.4 | Low | 70.6 | Confident | 115 Ų | 115 | 127.8 Ų | 127.8 | 60% | 0.602 | 66% | 0.658 | S | S | * | * | | | trans | -74 | 73.9 | -178.2 | -163.5 | 79.1 | 0 | 0 | 0 | 112.3 | D345 V351 | D345-L349 WeakPolarHBondContact O-CB 3.3Å; D345-L349 PolarHBondContact O-N 3.36Å; L349-V351 HydrophobicContact CD2-CG2 4.42Å; L349-V351 WeakPolarHBondContact O-CG2 3.45Å; L349-V351 PolarHBondContact O-N 3.13Å |
| 350 | K | 66.1 | Low | 68.1 | Low | 192 Ų | 192 | 125.8 Ų | 125.8 | 84% | 0.835 | 67% | 0.667 | S | S | * | * | | | trans | -63.5 | 96.3 | 169 | -71.6 | -175.1 | 178.9 | 179 | 0 | 109.9 | G348 S352 | G348-K350 VanDerWaalsContact C-N 3.28Å; G348-K350 PolarHBondContact O-N 2.84Å; K350-S352 PolarHBondContact O-N 2.89Å |
| 351 | V | 56.2 | Low | 65 | Low | 96 Ų | 96 | 120.2 Ų | 120.2 | 58% | 0.582 | 66% | 0.661 | S | S | * | * | | | trans | -65.4 | 92.6 | -178.7 | -176.5 | 0 | 0 | 0 | 0 | 110.4 | L349 | L349-V351 HydrophobicContact CD2-CG2 4.42Å; L349-V351 WeakPolarHBondContact O-CG2 3.45Å; L349-V351 PolarHBondContact O-N 3.13Å |
| 352 | S | 49.3 | Very low | 62.6 | Low | 119 Ų | 119 | 120.2 Ų | 120.2 | 83% | 0.832 | 67% | 0.672 | S | S | * | * | | | trans | -79.3 | -1.1 | 166.6 | 58.5 | 0 | 0 | 0 | 0 | 112.8 | K350 R354 | K350-S352 PolarHBondContact O-N 2.89Å; S352-R354 PolarHBondContact O-N 2.86Å; S352-R354 VanDerWaalsContact O-N 3.11Å |
| 353 | T | 52.8 | Low | 59.7 | Low | 102 Ų | 102 | 124.8 Ų | 124.8 | 63% | 0.626 | 69% | 0.691 | S | S | * | * | | | trans | -60.6 | 111.8 | 169.9 | -42.4 | 0 | 0 | 0 | 0 | 109.2 | A355 | T353-A355 HydrophobicContact CG2-CB 4.27Å; T353-A355 PolarHBondContact O-N 2.89Å |
| 354 | R | 53.1 | Low | 57.3 | Low | 250 Ų | 250 | 125.7 Ų | 125.7 | 94% | 0.943 | 71% | 0.706 | S | S | * | * | | | trans | -71.6 | 59.7 | 171.9 | -169.1 | -175.4 | 174.3 | -171 | -1.8 | 110.8 | S352 | S352-R354 PolarHBondContact O-N 2.86Å; S352-R354 VanDerWaalsContact O-N 3.11Å |
| 355 | A | 49.9 | Very low | 54.5 | Low | 60 Ų | 60 | 130 Ų | 130 | 50% | 0.496 | 72% | 0.723 | S | S | . | * | | | trans | -86.4 | 134.4 | 169.1 | 0 | 0 | 0 | 0 | 0 | 108.7 | T353 L357 | T353-A355 HydrophobicContact CG2-CB 4.27Å; T353-A355 PolarHBondContact O-N 2.89Å; A355-L357 VanDerWaalsContact C-N 3.32Å; A355-L357 PolarHBondContact O-N 3.23Å |
| 356 | T | 50.2 | Low | 51.7 | Low | 138 Ų | 138 | 129.4 Ų | 129.4 | 85% | 0.847 | 74% | 0.741 | S | S | * | * | | | trans | -71.5 | 86.1 | 179.1 | -51.5 | 0 | 0 | 0 | 0 | 110.3 | T358 | T356-T358 PolarHBondContact O-N 3.1Š|
| 357 | L | 46.9 | Very low | 48.8 | Very low | 153 Ų | 153 | 124.8 Ų | 124.8 | 80% | 0.801 | 75% | 0.748 | S | S | * | * | | | trans | -77.1 | 108.9 | 169 | -68 | 178.6 | 0 | 0 | 0 | 109.1 | A355 S359 | A355-L357 VanDerWaalsContact C-N 3.32Å; A355-L357 PolarHBondContact O-N 3.23Å; L357-S359 PolarHBondContact O-N 3.44Å |
| 358 | T | 41.7 | Very low | 46.3 | Very low | 132 Ų | 132 | 122.6 Ų | 122.6 | 81% | 0.81 | 76% | 0.759 | S | S | * | * | | | trans | -69.4 | 90.9 | 169.1 | 49 | 0 | 0 | 0 | 0 | 109.6 | T356 | T356-T358 PolarHBondContact O-N 3.1Š|
| 359 | S | 41.5 | Very low | 44.1 | Very low | 99 Ų | 99 | 124.4 Ų | 124.4 | 69% | 0.692 | 77% | 0.768 | S | S | * | * | | | trans | -64.2 | 139.3 | 165 | 52.9 | 0 | 0 | 0 | 0 | 109.7 | L357 A361 | L357-S359 PolarHBondContact O-N 3.44Å; S359-A361 PolarHBondContact O-N 2.93Å; S359-A361 VanDerWaalsContact O-N 3.13Å |
| 360 | P | 41.5 | Very low | 42.4 | Very low | 126 Ų | 126 | 123.8 Ų | 123.8 | 82% | 0.818 | 77% | 0.774 | S | S | * | * | | | trans | -64.1 | 115.9 | 170.5 | 27.8 | -32.9 | 0 | 0 | 0 | 109.2 | | |
| 361 | A | 29.8 | Very low | 41 | Very low | 73 Ų | 73 | 124 Ų | 124 | 60% | 0.603 | 78% | 0.775 | S | S | * | * | P | Polyproline II helix | trans | -76.2 | 143.8 | 169.1 | 0 | 0 | 0 | 0 | 0 | 109.5 | S359 E363 | S359-A361 PolarHBondContact O-N 2.93Å; S359-A361 VanDerWaalsContact O-N 3.13Å; A361-E363 PolarHBondContact O-N 3.29Å |
| 362 | P | 43 | Very low | 39.8 | Very low | 120 Ų | 120 | 124.1 Ų | 124.1 | 78% | 0.779 | 79% | 0.786 | S | S | * | * | P | Polyproline II helix | trans | -73.1 | 122 | 162.2 | 30.3 | -30.6 | 0 | 0 | 0 | 109 | P364 | P362-P364 WeakPolarHBondContact O-CD 3.22Š|
| 363 | E | 33.4 | Very low | 39 | Very low | 177 Ų | 177 | 125.5 Ų | 125.5 | 83% | 0.827 | 78% | 0.783 | S | S | * | * | P | Polyproline II helix | trans | -64.7 | 125.3 | 175.1 | -62.9 | -78.7 | 108.2 | 0 | 0 | 110.8 | A361 | A361-E363 PolarHBondContact O-N 3.29Š|
| 364 | P | 42.8 | Very low | 38.2 | Very low | 117 Ų | 117 | 128.4 Ų | 128.4 | 76% | 0.76 | 79% | 0.789 | S | S | * | * | P | Polyproline II helix | trans | -88 | 130.8 | 158.8 | 33.4 | -27.9 | 0 | 0 | 0 | 109.8 | P362 | P362-P364 WeakPolarHBondContact O-CD 3.22Š|
| 365 | E | 34.3 | Very low | 37.1 | Very low | 198 Ų | 198 | 124.7 Ų | 124.7 | 93% | 0.925 | 78% | 0.783 | S | S | * | * | P | Polyproline II helix | trans | -64.3 | 149.8 | 179.7 | -62.7 | -173.7 | 138 | 0 | 0 | 112.6 | | |
| 366 | G | 31 | Very low | 36.2 | Very low | 88 Ų | 88 | 127.2 Ų | 127.2 | 91% | 0.907 | 80% | 0.795 | S | S | * | * | P | Polyproline II helix | trans | -76.4 | 132.2 | -169.8 | 0 | 0 | 0 | 0 | 0 | 115 | | |
| 367 | G | 30.1 | Very low | 35.2 | Very low | 81 Ų | 81 | 124.3 Ų | 124.3 | 84% | 0.835 | 79% | 0.793 | S | S | * | * | | | trans | -139.8 | 128.5 | 164.3 | 0 | 0 | 0 | 0 | 0 | 109.4 | | |
| 368 | G | 30.9 | Very low | 34.8 | Very low | 79 Ų | 79 | 122.8 Ų | 122.8 | 81% | 0.814 | 80% | 0.795 | S | S | * | * | | | trans | -107.9 | -177.1 | -165.5 | 0 | 0 | 0 | 0 | 0 | 116.6 | | |
| 369 | A | 33.9 | Very low | 34.4 | Very low | 97 Ų | 97 | 122.3 Ų | 122.3 | 80% | 0.802 | 79% | 0.792 | S | S | * | * | | | trans | 91.4 | 131.8 | 164.4 | 0 | 0 | 0 | 0 | 0 | 120 | | |
| 370 | S | 32.7 | Very low | 34.4 | Very low | 103 Ų | 103 | 122.3 Ų | 122.3 | 72% | 0.72 | 80% | 0.798 | S | S | * | * | | | trans | 97.2 | 113.4 | 147 | -57.1 | 0 | 0 | 0 | 0 | 121.4 | | |
| 371 | K | 35.8 | Very low | 34.3 | Very low | 197 Ų | 197 | 124.3 Ų | 124.3 | 86% | 0.857 | 80% | 0.801 | S | S | * | * | | | trans | 68.2 | 98.1 | 137.2 | -62 | 177.2 | -178.7 | 177.9 | 0 | 120 | | |
| 372 | A | 32.2 | Very low | 34.8 | Very low | 98 Ų | 98 | 124.9 Ų | 124.9 | 81% | 0.81 | 81% | 0.805 | S | S | * | * | | | | 50.4 | 146 | 114.4 | 0 | 0 | 0 | 0 | 0 | 122.9 | | |
| 373 | L | 31.4 | Very low | 34.3 | Very low | 148 Ų | 148 | 126.6 Ų | 126.6 | 78% | 0.775 | 81% | 0.808 | S | S | * | * | | | trans | 116.6 | 113.1 | 139.3 | -153.4 | 70.4 | 0 | 0 | 0 | 117.8 | | |
| 374 | Q | 35.3 | Very low | 35 | Very low | 162 Ų | 162 | 128.9 Ų | 128.9 | 76% | 0.757 | 81% | 0.809 | S | S | * | * | | | trans | 65.7 | 120.6 | 145.2 | -75.5 | 178.4 | 21.5 | 0 | 0 | 124.2 | | |
| 375 | H | 29.9 | Very low | 34.9 | Very low | 173 Ų | 173 | 134.9 Ų | 134.9 | 80% | 0.801 | 82% | 0.816 | S | S | * | * | | | | 85.1 | 156.2 | 117 | -158.8 | -91.9 | 0 | 0 | 0 | 120.9 | | |
| 376 | C | 31.6 | Very low | 35.7 | Very low | 112 Ų | 112 | 136 Ų | 136 | 76% | 0.757 | 81% | 0.812 | S | S | * | * | | | trans | -68.9 | 147.4 | -176.6 | -54.8 | 0 | 0 | 0 | 0 | 113.4 | | |
| 377 | G | 28.8 | Very low | 36 | Very low | 77 Ų | 77 | 139.7 Ų | 139.7 | 79% | 0.794 | 81% | 0.81 | S | S | * | * | | | trans | -168.1 | 116.6 | 165.9 | 0 | 0 | 0 | 0 | 0 | 112 | | |
| 378 | S | 38.8 | Very low | 36.6 | Very low | 121 Ų | 121 | 142.4 Ų | 142.4 | 85% | 0.846 | 81% | 0.805 | S | S | * | * | | | trans | -89.1 | 140.3 | 161.8 | 177.7 | 0 | 0 | 0 | 0 | 108.7 | | |
| 379 | V | 34.3 | Very low | 36.8 | Very low | 123 Ų | 123 | 148.7 Ų | 148.7 | 75% | 0.745 | 81% | 0.81 | S | S | * | * | | | trans | -175.2 | 136.2 | 140.1 | 139 | 0 | 0 | 0 | 0 | 108.6 | | |
| 380 | A | 40.8 | Very low | 37 | Very low | 99 Ų | 99 | 152.5 Ų | 152.5 | 82% | 0.818 | 81% | 0.811 | S | S | * | * | | | trans | -92.2 | 130.1 | 166.9 | 0 | 0 | 0 | 0 | 0 | 109.5 | | |
| 381 | L | 38.8 | Very low | 37.6 | Very low | 168 Ų | 168 | 153 Ų | 153 | 88% | 0.88 | 81% | 0.812 | S | S | * | * | | | trans | -140.1 | 145.8 | 165.9 | -112 | 167.2 | 0 | 0 | 0 | 110.1 | | |
| 382 | A | 40.7 | Very low | 37.9 | Very low | 85 Ų | 85 | 149.5 Ų | 149.5 | 70% | 0.702 | 81% | 0.81 | S | S | * | * | | | trans | -95.4 | 160.6 | -161.4 | 0 | 0 | 0 | 0 | 0 | 113.2 | | |
| 383 | N | 33.2 | Very low | 38.1 | Very low | 155 Ų | 155 | 152.5 Ų | 152.5 | 83% | 0.829 | 81% | 0.812 | S | S | * | * | | | trans | -131.2 | 134.9 | 148.1 | -155.6 | -29.1 | 0 | 0 | 0 | 109.6 | | |
| 384 | R | 48 | Very low | 38.8 | Very low | 225 Ų | 225 | 153.2 Ų | 153.2 | 85% | 0.849 | 81% | 0.813 | S | S | * | * | | | trans | -109.5 | 126.9 | -178.5 | -71.9 | -177.7 | 175.2 | -171.8 | -0.1 | 109.5 | | |
| 385 | R | 41.3 | Very low | 39 | Very low | 243 Ų | 243 | 153.9 Ų | 153.9 | 92% | 0.917 | 82% | 0.822 | S | S | * | * | | | trans | -147.2 | 115.7 | 150.8 | -100.3 | 143.3 | -161.3 | -143.9 | 1.6 | 108.9 | | |
| 386 | R | 49.9 | Very low | 39.3 | Very low | 222 Ų | 222 | 148.6 Ų | 148.6 | 84% | 0.838 | 81% | 0.814 | S | S | * | * | | | trans | -86.2 | 129.1 | 170.2 | -62.7 | 171.5 | 73.1 | -167.2 | 5.1 | 107.1 | | |
| 387 | L | 37.2 | Very low | 39.5 | Very low | 165 Ų | 165 | 153 Ų | 153 | 86% | 0.864 | 82% | 0.821 | S | S | * | * | | | trans | -131.5 | 117.9 | 153.8 | -72.9 | 177.2 | 0 | 0 | 0 | 107.1 | | |
| 388 | L | 42.5 | Very low | 40 | Very low | 139 Ų | 139 | 158.5 Ų | 158.5 | 73% | 0.728 | 83% | 0.826 | S | S | * | * | | | trans | -85.5 | 141.1 | 162.1 | -76.9 | 160.4 | 0 | 0 | 0 | 107 | | |
| 389 | F | 35.9 | Very low | 40.5 | Very low | 210 Ų | 210 | 161.9 Ų | 161.9 | 92% | 0.921 | 83% | 0.825 | S | S | * | * | | | trans | -143.5 | 151.6 | 141.8 | -92.8 | -66.6 | 0 | 0 | 0 | 109.7 | | |
| 390 | E | 37.8 | Very low | 40.8 | Very low | 177 Ų | 177 | 165.2 Ų | 165.2 | 83% | 0.827 | 83% | 0.833 | S | S | * | * | P | Polyproline II helix | trans | -102.9 | 145.9 | -167 | -161.8 | 165.9 | 160.6 | 0 | 0 | 109 | | |
| 391 | P | 44.9 | Very low | 40.8 | Very low | 114 Ų | 114 | 165.1 Ų | 165.1 | 74% | 0.74 | 83% | 0.827 | S | S | * | * | P | Polyproline II helix | trans | -72.5 | 135.9 | -177 | 29.4 | -34.2 | 0 | 0 | 0 | 111.1 | | |
| 392 | P | 42.8 | Very low | 40.9 | Very low | 124 Ų | 124 | 163.6 Ų | 163.6 | 81% | 0.805 | 82% | 0.824 | S | S | * | * | P | Polyproline II helix | trans | -73.4 | 141.5 | 172.1 | 31 | -33.9 | 0 | 0 | 0 | 110.9 | | |
| 393 | D | 36.1 | Very low | 40.8 | Very low | 160 Ų | 160 | 168.2 Ų | 168.2 | 86% | 0.856 | 83% | 0.828 | S | S | * | * | P | Polyproline II helix | trans | -75.2 | 166.7 | -179.9 | -128.8 | -36.9 | 0 | 0 | 0 | 113 | | |
| 394 | M | 47.2 | Very low | 41.4 | Very low | 164 Ų | 164 | 167.8 Ų | 167.8 | 81% | 0.808 | 82% | 0.824 | S | S | * | * | | | trans | -86.5 | 109.8 | -179.5 | -65.5 | -88.5 | 82 | 0 | 0 | 112.2 | | |
| 395 | D | 39.4 | Very low | 40.9 | Very low | 176 Ų | 176 | 168.4 Ų | 168.4 | 94% | 0.941 | 83% | 0.827 | S | S | * | * | | | trans | -167 | 151 | 135.6 | -115.9 | -33.7 | 0 | 0 | 0 | 113.1 | | |
| 396 | G | 34.8 | Very low | 41.1 | Very low | 62 Ų | 62 | 162.5 Ų | 162.5 | 64% | 0.639 | 82% | 0.817 | S | S | * | * | | | trans | 121.8 | 118.7 | 170.3 | 0 | 0 | 0 | 0 | 0 | 116.9 | | |
| 397 | F | 36.7 | Very low | 40.8 | Very low | 205 Ų | 205 | 157.4 Ų | 157.4 | 90% | 0.899 | 81% | 0.813 | S | S | * | * | | | trans | -40.3 | 147 | 167.7 | -52.8 | -91.3 | 0 | 0 | 0 | 113.9 | | |
| 398 | Q | 38.7 | Very low | 40.7 | Very low | 192 Ų | 192 | 153.9 Ų | 153.9 | 90% | 0.897 | 81% | 0.808 | S | S | * | * | | | | -159.7 | 165.4 | 70.9 | -147.6 | 175.6 | 66.5 | 0 | 0 | 114.9 | Q400 | Q398-Q400 PolarHBondContact O-N 2.94Š|
| 399 | K | 50.3 | Low | 40.6 | Very low | 191 Ų | 191 | 152.9 Ų | 152.9 | 83% | 0.83 | 81% | 0.807 | S | S | * | * | | | trans | -75.8 | 115.1 | -169 | -59.1 | 163.8 | -176.3 | 167.8 | 0 | 113.6 | | |
| 400 | Q | 40.2 | Very low | 40.6 | Very low | 193 Ų | 193 | 154.2 Ų | 154.2 | 90% | 0.902 | 81% | 0.806 | S | S | * | * | | | trans | -133.2 | 84.9 | 153 | -71 | -160.8 | 8 | 0 | 0 | 111.4 | Q398 | Q398-Q400 PolarHBondContact O-N 2.94Š|
| 401 | S | 41.2 | Very low | 40.4 | Very low | 98 Ų | 98 | 156.2 Ų | 156.2 | 69% | 0.685 | 81% | 0.808 | S | S | * | * | | | trans | -87.4 | 111.6 | 173.8 | 46.1 | 0 | 0 | 0 | 0 | 111.4 | K403 | S401-K403 PolarHBondContact O-N 3.43Š|
| 402 | V | 41 | Very low | 39.8 | Very low | 136 Ų | 136 | 154.5 Ų | 154.5 | 82% | 0.824 | 81% | 0.81 | S | S | * | * | | | trans | -65.8 | 106.7 | 174.7 | -179.2 | 0 | 0 | 0 | 0 | 109.5 | I404 | V402-I404 PolarHBondContact O-N 3.26Š|
| 403 | K | 38 | Very low | 39.3 | Very low | 181 Ų | 181 | 154.3 Ų | 154.3 | 79% | 0.787 | 81% | 0.811 | S | S | * | * | | | trans | -76.1 | 86.1 | -176.2 | -71.5 | 176.9 | -179.6 | 169.6 | 0 | 111.8 | S401 R405 | S401-K403 PolarHBondContact O-N 3.43Å; K403-R405 PolarHBondContact O-N 2.95Å |
| 404 | I | 45.4 | Very low | 39.2 | Very low | 147 Ų | 147 | 150.9 Ų | 150.9 | 75% | 0.754 | 81% | 0.813 | S | S | * | * | | | trans | -65 | 100.8 | 165 | -58.2 | 178.3 | 0 | 0 | 0 | 108.5 | V402 V406 | V402-I404 PolarHBondContact O-N 3.26Å; I404-V406 HydrophobicContact CG2-CG2 4.48Å; I404-V406 PolarHBondContact O-N 3.29Å; I404-V406 VanDerWaalsContact O-N 3.08Å |
| 405 | R | 38.4 | Very low | 38.7 | Very low | 237 Ų | 237 | 146.8 Ų | 146.8 | 89% | 0.894 | 81% | 0.805 | S | S | * | * | | | trans | -73.4 | 93.7 | 174.5 | -89.9 | -177.4 | 165 | 170.7 | -3.8 | 110.3 | K403 P407 | K403-R405 PolarHBondContact O-N 2.95Å; R405-P407 WeakPolarHBondContact O-CD 3.48Å |
| 406 | V | 44 | Very low | 38.5 | Very low | 120 Ų | 120 | 143.3 Ų | 143.3 | 73% | 0.727 | 80% | 0.801 | S | S | * | * | | | trans | -72.6 | 126.1 | 162.6 | -177.3 | 0 | 0 | 0 | 0 | 108.8 | I404 A408 | I404-V406 HydrophobicContact CG2-CG2 4.48Å; I404-V406 PolarHBondContact O-N 3.29Å; I404-V406 VanDerWaalsContact O-N 3.08Å; V406-A408 PolarHBondContact O-N 3.05Å; V406-A408 VanDerWaalsContact O-N 3.15Å |
| 407 | P | 44 | Very low | 38.6 | Very low | 114 Ų | 114 | 148.6 Ų | 148.6 | 74% | 0.74 | 81% | 0.814 | S | S | * | * | | | trans | -66.6 | 111.5 | 177.7 | -22.5 | 34.7 | 0 | 0 | 0 | 112.1 | R405 V409 | R405-P407 WeakPolarHBondContact O-CD 3.48Å; P407-V409 PolarHBondContact O-N 2.98Å |
| 408 | A | 35.6 | Very low | 38.5 | Very low | 92 Ų | 92 | 151.1 Ų | 151.1 | 76% | 0.76 | 82% | 0.817 | S | S | * | * | | | trans | -75.4 | 104.1 | 175 | 0 | 0 | 0 | 0 | 0 | 110.7 | V406 R410 | V406-A408 PolarHBondContact O-N 3.05Å; V406-A408 VanDerWaalsContact O-N 3.15Å; A408-R410 PolarHBondContact O-N 3.48Å |
| 409 | V | 39.8 | Very low | 38 | Very low | 118 Ų | 118 | 145.2 Ų | 145.2 | 72% | 0.715 | 81% | 0.808 | S | S | * | * | | | trans | -67.2 | 102.6 | 174.2 | 179.1 | 0 | 0 | 0 | 0 | 109.5 | P407 Y411 | P407-V409 PolarHBondContact O-N 2.98Å; V409-Y411 HydrophobicContact CG1-CD2 4.38Å; V409-Y411 HydrophobicContact CG1-CE2 4.17Å; V409-Y411 PolarHBondContact O-N 3.37Å |
| 410 | R | 35.8 | Very low | 37 | Very low | 238 Ų | 238 | 142.3 Ų | 142.3 | 90% | 0.898 | 81% | 0.811 | S | S | * | * | | | trans | -74.5 | 109.6 | 173.6 | -68.1 | -171.1 | 179.6 | -144.5 | 2 | 110.2 | A408 G412 | A408-R410 PolarHBondContact O-N 3.48Å; R410-G412 PolarHBondContact O-N 3.47Å |
| 411 | Y | 34.8 | Very low | 36.5 | Very low | 219 Ų | 219 | 138 Ų | 138 | 86% | 0.859 | 80% | 0.801 | S | S | * | * | | | trans | -74.2 | 103 | 160.9 | -83.4 | -90 | 0 | 0 | 0 | 109.4 | V409 C413 | V409-Y411 HydrophobicContact CG1-CD2 4.38Å; V409-Y411 HydrophobicContact CG1-CE2 4.17Å; V409-Y411 PolarHBondContact O-N 3.37Å; Y411-C413 PolarHBondContact O-N 3.28Å |
| 412 | G | 31.1 | Very low | 36.1 | Very low | 77 Ų | 77 | 140.6 Ų | 140.6 | 79% | 0.794 | 81% | 0.808 | S | S | * | * | | | trans | -74.5 | 98.1 | 173.6 | 0 | 0 | 0 | 0 | 0 | 111.3 | R410 G414 | R410-G412 PolarHBondContact O-N 3.47Å; G412-G414 PolarHBondContact O-N 3.43Å |
| 413 | C | 32.4 | Very low | 35.7 | Very low | 120 Ų | 120 | 141.4 Ų | 141.4 | 81% | 0.811 | 81% | 0.807 | S | S | * | * | | | trans | -83 | 86.3 | 169.7 | -165.7 | 0 | 0 | 0 | 0 | 109.9 | Y411 A415 | Y411-C413 PolarHBondContact O-N 3.28Å; C413-A415 VanDerWaalsContact C-N 3.32Å; C413-A415 PolarHBondContact O-N 3.39Å |
| 414 | G | 34.6 | Very low | 35.3 | Very low | 88 Ų | 88 | 140.6 Ų | 140.6 | 91% | 0.907 | 81% | 0.806 | S | S | * | * | | | trans | -76.3 | 76 | 176.9 | 0 | 0 | 0 | 0 | 0 | 112.6 | G412 | G412-G414 PolarHBondContact O-N 3.43Š|
| 415 | A | 35.7 | Very low | 34.5 | Very low | 78 Ų | 78 | 138.3 Ų | 138.3 | 65% | 0.645 | 80% | 0.803 | S | S | * | * | | | trans | -112 | 88.9 | 174.3 | 0 | 0 | 0 | 0 | 0 | 110.4 | C413 L417 | C413-A415 VanDerWaalsContact C-N 3.32Å; C413-A415 PolarHBondContact O-N 3.39Å; A415-L417 PolarHBondContact O-N 3.07Å |
| 416 | A | 36.9 | Very low | 34.1 | Very low | 104 Ų | 104 | 131.6 Ų | 131.6 | 86% | 0.86 | 80% | 0.798 | S | S | * | * | | | trans | -77.2 | 100.1 | 178.7 | 0 | 0 | 0 | 0 | 0 | 111.2 | | |
| 417 | L | 37.2 | Very low | 33.4 | Very low | 172 Ų | 172 | 129.6 Ų | 129.6 | 90% | 0.901 | 80% | 0.802 | S | S | * | * | | | trans | -112.6 | 103.2 | 161.5 | -69.8 | 178.1 | 0 | 0 | 0 | 108.4 | A415 | A415-L417 PolarHBondContact O-N 3.07Š|
| 418 | R | 32.7 | Very low | 32.8 | Very low | 258 Ų | 258 | 129.4 Ų | 129.4 | 97% | 0.974 | 81% | 0.81 | S | S | * | * | | | trans | -93.6 | 124 | 177.5 | 178.3 | -166.7 | -72.8 | -125.5 | 3.2 | 109.3 | | |
| 419 | G | 28.6 | Very low | 32.6 | Very low | 69 Ų | 69 | 129.6 Ų | 129.6 | 71% | 0.711 | 81% | 0.811 | S | S | * | * | | | trans | 155.8 | 153.5 | 167.9 | 0 | 0 | 0 | 0 | 0 | 112.5 | | |
| 420 | C | 29.3 | Very low | 32.3 | Very low | 130 Ų | 130 | 132.2 Ų | 132.2 | 88% | 0.878 | 82% | 0.82 | S | S | * | * | | | cis | -163.2 | 110.7 | -14.7 | -165.6 | 0 | 0 | 0 | 0 | 110 | | |
| 421 | S | 30.9 | Very low | 32.3 | Very low | 101 Ų | 101 | 128.9 Ų | 128.9 | 71% | 0.706 | 82% | 0.815 | S | S | * | * | | | trans | 175.1 | 144.8 | 173.3 | 42 | 0 | 0 | 0 | 0 | 108.2 | | |
| 422 | D | 31.2 | Very low | 33 | Very low | 153 Ų | 153 | 123.7 Ų | 123.7 | 82% | 0.818 | 81% | 0.808 | S | S | * | * | | | cis | -153.5 | -172.2 | -11.4 | -89.4 | -36.7 | 0 | 0 | 0 | 108.3 | | |
| 423 | L | 33.8 | Very low | 32.9 | Very low | 154 Ų | 154 | 123.9 Ų | 123.9 | 81% | 0.806 | 81% | 0.81 | S | S | * | * | | | trans | 88.7 | 101.4 | 168.7 | -68.4 | 162.1 | 0 | 0 | 0 | 119.8 | | |
| 424 | E | 28.6 | Very low | 32.8 | Very low | 163 Ų | 163 | 122 Ų | 122 | 76% | 0.762 | 81% | 0.81 | S | S | * | * | | | | 68.8 | 123.1 | 127.7 | -86.2 | -158 | 83.4 | 0 | 0 | 125.1 | | |
| 425 | S | 28.9 | Very low | 32.7 | Very low | 99 Ų | 99 | 121.4 Ų | 121.4 | 69% | 0.692 | 81% | 0.805 | S | S | * | * | | | | 67.8 | 100.8 | 121 | -148.1 | 0 | 0 | 0 | 0 | 120.2 | | |
| 426 | A | 30.8 | Very low | 33.1 | Very low | 97 Ų | 97 | 124 Ų | 124 | 80% | 0.802 | 82% | 0.815 | S | S | * | * | | | | 163.5 | 142.8 | 94.7 | 0 | 0 | 0 | 0 | 0 | 113.8 | | |
| 427 | G | 29.2 | Very low | 33.1 | Very low | 78 Ų | 78 | 123.3 Ų | 123.3 | 80% | 0.804 | 81% | 0.809 | S | S | * | * | | | trans | 101.5 | 148.3 | 149.3 | 0 | 0 | 0 | 0 | 0 | 119.6 | | |
| 428 | A | 31.9 | Very low | 34 | Very low | 109 Ų | 109 | 119.7 Ų | 119.7 | 90% | 0.901 | 80% | 0.796 | S | S | * | * | | | trans | 60.9 | 101.3 | 166 | 0 | 0 | 0 | 0 | 0 | 118.6 | | |
| 429 | A | 30.6 | Very low | 34.2 | Very low | 96 Ų | 96 | 117.3 Ų | 117.3 | 79% | 0.793 | 79% | 0.793 | S | S | * | * | | | trans | -79.9 | 154.9 | 170.2 | 0 | 0 | 0 | 0 | 0 | 113.2 | | |
| 430 | L | 33.2 | Very low | 34.3 | Very low | 173 Ų | 173 | 117.9 Ų | 117.9 | 91% | 0.906 | 80% | 0.799 | S | S | * | * | | | | -169.3 | 122.6 | 122.9 | -102.7 | 160.6 | 0 | 0 | 0 | 112 | | |
| 431 | E | 36.1 | Very low | 34.6 | Very low | 169 Ų | 169 | 122.4 Ų | 122.4 | 79% | 0.79 | 80% | 0.797 | S | S | * | * | | | trans | -100.5 | 174.7 | 171.2 | -83.2 | -84.1 | 95.1 | 0 | 0 | 109.2 | | |
| 432 | P | 49.2 | Very low | 34.9 | Very low | 110 Ų | 110 | 125.2 Ų | 125.2 | 71% | 0.714 | 80% | 0.797 | S | S | * | * | | | cis | -138.3 | -173.2 | -37.9 | 37.9 | -21.6 | 0 | 0 | 0 | 112.9 | | |
| 433 | G | 29.1 | Very low | 35.1 | Very low | 81 Ų | 81 | 126.2 Ų | 126.2 | 84% | 0.835 | 80% | 0.796 | S | S | * | * | | | trans | 124.7 | 136 | 154.1 | 0 | 0 | 0 | 0 | 0 | 115 | | |
| 434 | G | 30.4 | Very low | 35 | Very low | 79 Ų | 79 | 123.5 Ų | 123.5 | 81% | 0.814 | 79% | 0.79 | S | S | * | * | | | cis | -169.7 | 166 | -5.1 | 0 | 0 | 0 | 0 | 0 | 111 | | |
| 435 | G | 32.4 | Very low | 35.1 | Very low | 76 Ų | 76 | 125 Ų | 125 | 78% | 0.784 | 79% | 0.794 | S | S | * | * | | | trans | -72.8 | 179 | 172.7 | 0 | 0 | 0 | 0 | 0 | 113.1 | | |
| 436 | P | 44.8 | Very low | 35.5 | Very low | 134 Ų | 134 | 124.6 Ų | 124.6 | 87% | 0.87 | 79% | 0.792 | S | S | * | * | | | cis | -136.6 | -174.5 | 24.9 | 41.7 | -23.9 | 0 | 0 | 0 | 116 | | |
| 437 | A | 37.3 | Very low | 35.9 | Very low | 88 Ų | 88 | 126.2 Ų | 126.2 | 73% | 0.727 | 79% | 0.794 | S | S | * | * | | | trans | -90 | -164.6 | 162.2 | 0 | 0 | 0 | 0 | 0 | 109.5 | | |
| 438 | P | 55.2 | Low | 36.1 | Very low | 97 Ų | 97 | 127.7 Ų | 127.7 | 63% | 0.63 | 79% | 0.791 | S | S | * | * | | | cis | -143.2 | -177.7 | -0.5 | 40.2 | -18.9 | 0 | 0 | 0 | 117.4 | | |
| 439 | F | 35.8 | Very low | 36.2 | Very low | 208 Ų | 208 | 129.7 Ų | 129.7 | 91% | 0.912 | 79% | 0.786 | S | S | * | * | | | trans | 62.2 | 126.6 | 157.7 | -55.4 | -52.6 | 0 | 0 | 0 | 122.1 | | |
| 440 | G | 32.3 | Very low | 36.4 | Very low | 80 Ų | 80 | 131.8 Ų | 131.8 | 83% | 0.825 | 78% | 0.784 | S | S | * | * | | | trans | -148.1 | 152.4 | 160.8 | 0 | 0 | 0 | 0 | 0 | 110.5 | | |
| 441 | R | 35.3 | Very low | 36.4 | Very low | 226 Ų | 226 | 128.3 Ų | 128.3 | 85% | 0.853 | 78% | 0.775 | S | S | * | * | | | trans | -142.7 | 136 | -164 | -157.4 | -163.9 | 179.7 | -169.4 | 4.1 | 114.2 | | |
| 442 | K | 37 | Very low | 36.1 | Very low | 159 Ų | 159 | 123.5 Ų | 123.5 | 69% | 0.691 | 77% | 0.77 | S | S | * | * | | | trans | 85.2 | 118.6 | 164.3 | -54.2 | -171 | -178.2 | 177.8 | 0 | 119.9 | | |
| 443 | H | 34.4 | Very low | 35.4 | Very low | 174 Ų | 174 | 127.8 Ų | 127.8 | 81% | 0.806 | 78% | 0.778 | S | S | * | * | | | trans | 48.8 | 143.2 | 131.9 | -64.5 | -76.7 | 0 | 0 | 0 | 124.3 | | |
| 444 | S | 31.7 | Very low | 35.7 | Very low | 97 Ų | 97 | 134.8 Ų | 134.8 | 68% | 0.678 | 78% | 0.779 | S | S | * | * | | | trans | 70.8 | 148.1 | 165.2 | 70.9 | 0 | 0 | 0 | 0 | 115.7 | | |
| 445 | F | 31.8 | Very low | 36.7 | Very low | 195 Ų | 195 | 137 Ų | 137 | 86% | 0.855 | 78% | 0.779 | S | S | * | * | | | cis | -127.1 | 171.2 | 10.5 | -86.8 | -95.7 | 0 | 0 | 0 | 113.4 | | |
| 446 | S | 36.7 | Very low | 36.6 | Very low | 91 Ų | 91 | 137.1 Ų | 137.1 | 64% | 0.636 | 78% | 0.78 | S | S | * | * | | | trans | -104.1 | 140 | 168.6 | 55.6 | 0 | 0 | 0 | 0 | 112.1 | | |
| 447 | P | 40.6 | Very low | 36.4 | Very low | 131 Ų | 131 | 140.4 Ų | 140.4 | 85% | 0.851 | 78% | 0.781 | S | S | * | * | | | trans | -77.4 | 140.5 | 162.2 | -8.9 | 26.4 | 0 | 0 | 0 | 111.1 | | |
| 448 | C | 31.8 | Very low | 36.1 | Very low | 109 Ų | 109 | 144.5 Ų | 144.5 | 74% | 0.736 | 79% | 0.79 | S | S | * | * | | | trans | -127.4 | 142 | 171.5 | -68.8 | 0 | 0 | 0 | 0 | 110.1 | | |
| 449 | N | 33.9 | Very low | 35.2 | Very low | 150 Ų | 150 | 146.3 Ų | 146.3 | 80% | 0.802 | 80% | 0.799 | S | S | * | * | | | trans | -160.7 | 141.6 | 165.2 | -94.4 | -25.4 | 0 | 0 | 0 | 106.5 | | |
| 450 | N | 34.9 | Very low | 35.7 | Very low | 140 Ų | 140 | 141.6 Ų | 141.6 | 75% | 0.749 | 79% | 0.789 | S | S | * | * | | | cis | -133.5 | 175.2 | 16.5 | -81.9 | -50.7 | 0 | 0 | 0 | 114.1 | | |
| 451 | S | 33 | Very low | 35.6 | Very low | 101 Ų | 101 | 146.4 Ų | 146.4 | 71% | 0.706 | 79% | 0.787 | S | S | * | * | | | trans | -48.2 | 165.5 | 169 | 47.2 | 0 | 0 | 0 | 0 | 116.6 | | |
| 452 | G | 31.1 | Very low | 35.3 | Very low | 68 Ų | 68 | 142 Ų | 142 | 70% | 0.701 | 78% | 0.781 | S | S | * | * | | | cis | 102.7 | 93.9 | -11.1 | 0 | 0 | 0 | 0 | 0 | 117.8 | | |
| 453 | F | 33.3 | Very low | 35.2 | Very low | 200 Ų | 200 | 139.1 Ų | 139.1 | 88% | 0.877 | 78% | 0.78 | S | S | * | * | | | trans | -150.2 | 125.1 | 156.9 | -94.2 | -89.8 | 0 | 0 | 0 | 107.5 | | |
| 454 | R | 36.9 | Very low | 35.1 | Very low | 227 Ų | 227 | 138.7 Ų | 138.7 | 86% | 0.857 | 78% | 0.783 | S | S | * | * | | | cis | 94.3 | 115.8 | 49.3 | -97.5 | -81.2 | 172.6 | 160.1 | -1.4 | 113 | | |
| 455 | P | 51.4 | Low | 35 | Very low | 126 Ų | 126 | 139.2 Ų | 139.2 | 82% | 0.818 | 79% | 0.787 | S | S | * | * | | | trans | -98 | 166.1 | 179.6 | 38.3 | -35.7 | 0 | 0 | 0 | 114.1 | | |
| 456 | G | 29 | Very low | 35.6 | Very low | 78 Ų | 78 | 135 Ų | 135 | 80% | 0.804 | 78% | 0.779 | S | S | * | * | | | trans | -137.8 | 165.7 | 172.7 | 0 | 0 | 0 | 0 | 0 | 112.9 | | |
| 457 | K | 41.3 | Very low | 35.3 | Very low | 203 Ų | 203 | 141.4 Ų | 141.4 | 88% | 0.883 | 79% | 0.789 | S | S | * | * | | | trans | -125.1 | 150.5 | -177.5 | -54.1 | 174.3 | -179.4 | 177.5 | 0 | 111 | | |
| 458 | L | 31.1 | Very low | 35 | Very low | 175 Ų | 175 | 142.6 Ų | 142.6 | 92% | 0.916 | 78% | 0.781 | S | S | * | * | | | trans | -150.1 | 148.5 | 145.1 | -83.8 | -171.3 | 0 | 0 | 0 | 111.6 | | |
| 459 | V | 36.1 | Very low | 34.8 | Very low | 134 Ų | 134 | 143 Ų | 143 | 81% | 0.812 | 77% | 0.772 | S | S | * | * | | | trans | -159.6 | 129 | -179.3 | 169.3 | 0 | 0 | 0 | 0 | 103.9 | | |
| 460 | P | 45.8 | Very low | 34.7 | Very low | 109 Ų | 109 | 146 Ų | 146 | 71% | 0.708 | 77% | 0.773 | S | S | * | * | | | | -159.1 | 172.8 | 81.8 | 43.2 | -23.2 | 0 | 0 | 0 | 118.9 | | |
| 461 | K | 30.8 | Very low | 34.5 | Very low | 181 Ų | 181 | 147.1 Ų | 147.1 | 79% | 0.787 | 78% | 0.778 | S | S | * | * | | | trans | 66.5 | 145 | 150.7 | -113.9 | 105.6 | -177.9 | -177.3 | 0 | 118.4 | | |
| 462 | D | 29.3 | Very low | 34.6 | Very low | 135 Ų | 135 | 145.8 Ų | 145.8 | 72% | 0.722 | 78% | 0.78 | S | S | * | * | | | cis | -149.2 | -163.5 | -12.9 | -135.3 | -11.1 | 0 | 0 | 0 | 106.8 | | |
| 463 | S | 34.6 | Very low | 34.5 | Very low | 97 Ų | 97 | 149.5 Ų | 149.5 | 68% | 0.678 | 78% | 0.783 | S | S | * | * | | | cis | -149.4 | 179.6 | 11.5 | 70.6 | 0 | 0 | 0 | 0 | 113.8 | | |
| 464 | L | 32.9 | Very low | 34.5 | Very low | 165 Ų | 165 | 146.1 Ų | 146.1 | 86% | 0.864 | 78% | 0.782 | S | S | * | * | | | trans | -3.4 | 151.8 | 159.6 | -58.4 | 174.2 | 0 | 0 | 0 | 122.9 | | |
| 465 | S | 28.7 | Very low | 34.4 | Very low | 108 Ų | 108 | 141.7 Ų | 141.7 | 76% | 0.755 | 78% | 0.776 | S | S | * | * | | | trans | -81.9 | -177 | -174.4 | 66 | 0 | 0 | 0 | 0 | 113.6 | | |
| 466 | P | 45 | Very low | 33.7 | Very low | 108 Ų | 108 | 144.8 Ų | 144.8 | 70% | 0.701 | 78% | 0.779 | S | S | * | * | | | cis | -150.3 | -174.4 | 21.6 | 44.8 | -23.2 | 0 | 0 | 0 | 120.3 | | |
| 467 | R | 29.4 | Very low | 33.9 | Very low | 224 Ų | 224 | 146.8 Ų | 146.8 | 85% | 0.845 | 78% | 0.781 | S | S | * | * | | | trans | 77.9 | 128.2 | 167.3 | -72.5 | -166.7 | 171.9 | -148.9 | 0.2 | 117.1 | | |
| 468 | K | 33.8 | Very low | 34.1 | Very low | 156 Ų | 156 | 143.9 Ų | 143.9 | 68% | 0.678 | 78% | 0.781 | S | S | * | * | | | cis | 87.2 | 120.2 | 48 | -170.5 | -177.1 | 177.5 | 165.3 | 0 | 109.4 | | |
| 469 | E | 28.5 | Very low | 34.5 | Very low | 117 Ų | 117 | 140.2 Ų | 140.2 | 55% | 0.547 | 77% | 0.769 | S | S | . | * | | | cis | -168.8 | -174.6 | 12.3 | 168.9 | 175 | -110.8 | 0 | 0 | 110.5 | | |
| 470 | W | 32 | Very low | 35.2 | Very low | 215 Ų | 215 | 146.2 Ų | 146.2 | 81% | 0.814 | 78% | 0.778 | S | S | * | * | | | trans | 99.5 | 130.1 | 162.8 | -58.7 | 94.1 | 0 | 0 | 0 | 119.5 | | |
| 471 | D | 31.5 | Very low | 35.3 | Very low | 162 Ų | 162 | 151.8 Ų | 151.8 | 87% | 0.866 | 78% | 0.784 | S | S | * | * | | | trans | -78.9 | 165.5 | 177.8 | -56.5 | -92 | 0 | 0 | 0 | 113.6 | | |
| 472 | G | 33.8 | Very low | 35.9 | Very low | 73 Ų | 73 | 146.5 Ų | 146.5 | 75% | 0.753 | 78% | 0.782 | S | S | * | * | | | trans | 162.5 | 9.9 | 165.1 | 0 | 0 | 0 | 0 | 0 | 120.5 | C474 | G472-C474 PolarHBondContact O-N 3.23Š|
| 473 | I | 30.2 | Very low | 37.3 | Very low | 146 Ų | 146 | 150.5 Ų | 150.5 | 75% | 0.749 | 79% | 0.792 | S | S | * | * | | | trans | -92 | 95.7 | -171.8 | -51.8 | -178 | 0 | 0 | 0 | 112.8 | N475 | I473-N475 WeakPolarHBondContact CG2-ND2 3.27Å; I473-N475 PolarHBondContact O-N 3.38Å |
| 474 | C | 32.9 | Very low | 38.4 | Very low | 129 Ų | 129 | 155 Ų | 155 | 87% | 0.872 | 80% | 0.8 | S | S | * | * | | | trans | -83.7 | 96.3 | 166.8 | -169 | 0 | 0 | 0 | 0 | 110.5 | G472 | G472-C474 PolarHBondContact O-N 3.23Š|
| 475 | N | 34.3 | Very low | 39.6 | Very low | 135 Ų | 135 | 158.7 Ų | 158.7 | 72% | 0.722 | 80% | 0.802 | S | S | * | * | P | Polyproline II helix | trans | -79.5 | 133.8 | -178 | -86.2 | -43.7 | 0 | 0 | 0 | 113.3 | I473 | I473-N475 WeakPolarHBondContact CG2-ND2 3.27Å; I473-N475 PolarHBondContact O-N 3.38Å |
| 476 | Q | 36.4 | Very low | 40.6 | Very low | 190 Ų | 190 | 160.6 Ų | 160.6 | 89% | 0.888 | 80% | 0.804 | S | S | * | * | P | Polyproline II helix | trans | -71.3 | 132.6 | -174.4 | -56.7 | 179.5 | 12.6 | 0 | 0 | 112 | | |
| 477 | S | 34.6 | Very low | 40.8 | Very low | 121 Ų | 121 | 164.1 Ų | 164.1 | 85% | 0.846 | 81% | 0.811 | S | S | * | * | P | Polyproline II helix | trans | -93.8 | 116.7 | 177.2 | -70.6 | 0 | 0 | 0 | 0 | 112.7 | | |
| 478 | T | 43.9 | Very low | 41.7 | Very low | 142 Ų | 142 | 163.7 Ų | 163.7 | 87% | 0.871 | 82% | 0.815 | S | S | * | * | P | Polyproline II helix | trans | -77.5 | 127.4 | 173.9 | 55.7 | 0 | 0 | 0 | 0 | 111 | | |
| 479 | S | 40.6 | Very low | 42.8 | Very low | 97 Ų | 97 | 161 Ų | 161 | 68% | 0.678 | 81% | 0.812 | S | S | * | * | | | trans | -155.6 | 95.3 | 169.3 | -151.4 | 0 | 0 | 0 | 0 | 113.3 | R481 | S479-R481 PolarHBondContact O-N 2.93Š|
| 480 | R | 49.7 | Very low | 43.9 | Very low | 261 Ų | 261 | 165.3 Ų | 165.3 | 99% | 0.985 | 83% | 0.829 | S | S | * | * | | | trans | -72.3 | 88.1 | 167.8 | -71.5 | -174.2 | 174.8 | -156.3 | -0.5 | 109.8 | | |
| 481 | R | 48.2 | Very low | 44.8 | Very low | 225 Ų | 225 | 162 Ų | 162 | 85% | 0.849 | 82% | 0.823 | S | S | * | * | P | Polyproline II helix | trans | -90.4 | 128.9 | 171 | -95.2 | -177.1 | 173.7 | -95.7 | -2.1 | 111.5 | S479 | S479-R481 PolarHBondContact O-N 2.93Š|
| 482 | G | 44.3 | Very low | 45.6 | Very low | 71 Ų | 71 | 162 Ų | 162 | 73% | 0.732 | 82% | 0.822 | S | S | * | * | P | Polyproline II helix | trans | -62.1 | 139 | -176.2 | 0 | 0 | 0 | 0 | 0 | 114.1 | K484 | G482-K484 PolarHBondContact O-N 2.81Š|
| 483 | K | 58.8 | Low | 45.8 | Very low | 218 Ų | 218 | 165.6 Ų | 165.6 | 95% | 0.948 | 82% | 0.824 | S | S | * | * | P | Polyproline II helix | trans | -59.4 | 118.8 | 174.8 | -122.4 | 167 | 179.4 | 174.3 | 0 | 109.5 | | |
| 484 | K | 57.3 | Low | 46.4 | Very low | 193 Ų | 193 | 164.4 Ų | 164.4 | 84% | 0.839 | 83% | 0.825 | S | S | * | * | P | Polyproline II helix | trans | -75.6 | 135.3 | 171.3 | -74.8 | -171.5 | 173.5 | -173.4 | 0 | 109.5 | G482 N486 | G482-K484 PolarHBondContact O-N 2.81Å; K484-N486 PolarHBondContact O-N 3.21Å |
| 485 | R | 56.9 | Low | 46.8 | Very low | 242 Ų | 242 | 163 Ų | 163 | 91% | 0.913 | 82% | 0.823 | S | S | * | * | P | Polyproline II helix | trans | -63.5 | 125.6 | 169.1 | 171.4 | 173.1 | 169.4 | 168.1 | -4.4 | 109.3 | | |
| 486 | N | 50.4 | Low | 47.1 | Very low | 148 Ų | 148 | 164.3 Ų | 164.3 | 79% | 0.791 | 83% | 0.829 | S | S | * | * | P | Polyproline II helix | trans | -62.3 | 139.8 | 174.4 | -67.3 | -11.7 | 0 | 0 | 0 | 110 | K484 | K484-N486 PolarHBondContact O-N 3.21Š|
| 487 | Q | 50.2 | Low | 47.2 | Very low | 182 Ų | 182 | 162.7 Ų | 162.7 | 85% | 0.85 | 83% | 0.826 | S | S | * | * | P | Polyproline II helix | trans | -74.4 | 140.4 | 167.8 | -68.1 | 175.5 | -19 | 0 | 0 | 108.1 | T489 | Q487-T489 PolarHBondContact O-N 2.91Š|
| 488 | K | 47.1 | Very low | 47.7 | Very low | 214 Ų | 214 | 162.9 Ų | 162.9 | 93% | 0.93 | 83% | 0.825 | S | S | * | * | | | trans | -71.6 | 95.9 | 171.9 | -82.8 | -167.7 | 171.4 | -169.4 | 0 | 108.8 | | |
| 489 | T | 57.3 | Low | 47.6 | Very low | 100 Ų | 100 | 162 Ų | 162 | 61% | 0.613 | 82% | 0.819 | S | S | * | * | | | trans | -61.6 | 127.6 | 151.9 | 35.7 | 0 | 0 | 0 | 0 | 108 | Q487 H491 | Q487-T489 PolarHBondContact O-N 2.91Å; T489-H491 PolarHBondContact O-CD2 3.13Å; T489-H491 PolarHBondContact O-N 2.93Å; T489-H491 PolarHBondContact OG1-CD2 2.99Å; T489-H491 PolarHBondContact OG1-NE2 3.1Å |
| 490 | K | 52.5 | Low | 47.6 | Very low | 208 Ų | 208 | 164.7 Ų | 164.7 | 90% | 0.904 | 83% | 0.825 | S | S | * | * | | | trans | -72.4 | 104.9 | 161.3 | -75.9 | -171.1 | 176 | -172.6 | 0 | 106 | | |
| 491 | H | 48.9 | Very low | 46.8 | Very low | 146 Ų | 146 | 159.2 Ų | 159.2 | 68% | 0.676 | 82% | 0.815 | S | S | * | * | P | Polyproline II helix | trans | -74.2 | 129 | 164.3 | -68 | -97.6 | 0 | 0 | 0 | 107.1 | T489 | T489-H491 PolarHBondContact O-CD2 3.13Å; T489-H491 PolarHBondContact O-N 2.93Å; T489-H491 PolarHBondContact OG1-CD2 2.99Å; T489-H491 PolarHBondContact OG1-NE2 3.1Å |
| 492 | L | 48.5 | Very low | 46.8 | Very low | 161 Ų | 161 | 154.3 Ų | 154.3 | 84% | 0.843 | 81% | 0.812 | S | S | * | * | P | Polyproline II helix | trans | -92.8 | 130.6 | 153.6 | -68.4 | 173.1 | 0 | 0 | 0 | 105.2 | P494 | L492-P494 WeakPolarHBondContact O-CD 3.47Š|
| 493 | D | 39 | Very low | 46.6 | Very low | 149 Ų | 149 | 155 Ų | 155 | 80% | 0.797 | 81% | 0.811 | S | S | * | * | P | Polyproline II helix | trans | -74.2 | 123 | 177.5 | -62.9 | -60.6 | 0 | 0 | 0 | 109.5 | A495 | D493-A495 PolarHBondContact O-N 3.18Å; D493-A495 VanDerWaalsContact O-N 3.08Å |
| 494 | P | 43.4 | Very low | 45.7 | Very low | 121 Ų | 121 | 152.2 Ų | 152.2 | 79% | 0.786 | 81% | 0.806 | S | S | * | * | | | trans | -73.7 | 97.9 | 166.4 | 30.3 | -30.2 | 0 | 0 | 0 | 107.8 | L492 L496 | L492-P494 WeakPolarHBondContact O-CD 3.47Å; P494-L496 PolarHBondContact O-N 2.95Å |
| 495 | A | 39.8 | Very low | 44.8 | Very low | 98 Ų | 98 | 152.9 Ų | 152.9 | 81% | 0.81 | 81% | 0.809 | S | S | * | * | P | Polyproline II helix | trans | -61.6 | 134.9 | 173.7 | 0 | 0 | 0 | 0 | 0 | 110.2 | D493 | D493-A495 PolarHBondContact O-N 3.18Å; D493-A495 VanDerWaalsContact O-N 3.08Å |
| 496 | L | 41.9 | Very low | 44.2 | Very low | 164 Ų | 164 | 153 Ų | 153 | 86% | 0.859 | 81% | 0.809 | S | S | * | * | P | Polyproline II helix | trans | -62.1 | 150.7 | -167.1 | -62.8 | 162.3 | 0 | 0 | 0 | 114.1 | P494 | P494-L496 PolarHBondContact O-N 2.95Š|
| 497 | D | 38.6 | Very low | 43.4 | Very low | 155 Ų | 155 | 151.3 Ų | 151.3 | 83% | 0.829 | 81% | 0.809 | S | S | * | * | P | Polyproline II helix | trans | -59.5 | 133.4 | 168.1 | -56 | -82.2 | 0 | 0 | 0 | 112.1 | | |
| 498 | P | 45.3 | Very low | 42.6 | Very low | 126 Ų | 126 | 154 Ų | 154 | 82% | 0.818 | 81% | 0.811 | S | S | * | * | | | trans | -103.6 | 105 | 168.1 | 34.2 | -25.9 | 0 | 0 | 0 | 111.2 | | |
| 499 | V | 41 | Very low | 42.4 | Very low | 122 Ų | 122 | 150.1 Ų | 150.1 | 74% | 0.739 | 81% | 0.808 | S | S | * | * | | | trans | -124.1 | 110.7 | 171.5 | 173.9 | 0 | 0 | 0 | 0 | 108.8 | | |
| 500 | L | 39.6 | Very low | 41.4 | Very low | 154 Ų | 154 | 150.7 Ų | 150.7 | 81% | 0.806 | 82% | 0.816 | S | S | * | * | | | trans | 68.7 | 136.3 | -176.4 | -49 | 169 | 0 | 0 | 0 | 113.1 | | |
| 501 | D | 32.9 | Very low | 41 | Very low | 146 Ų | 146 | 144.8 Ų | 144.8 | 78% | 0.781 | 81% | 0.814 | S | S | * | * | | | cis | -136 | 160.5 | 21.7 | -98.8 | -40.6 | 0 | 0 | 0 | 114.5 | | |
| 502 | P | 48.6 | Very low | 40.7 | Very low | 122 Ų | 122 | 145.5 Ų | 145.5 | 79% | 0.792 | 82% | 0.818 | S | S | * | * | | | trans | -105.7 | 71.6 | -172.2 | 40.3 | -34.4 | 0 | 0 | 0 | 115.4 | | |
| 503 | A | 40 | Very low | 40.6 | Very low | 85 Ų | 85 | 147 Ų | 147 | 70% | 0.702 | 82% | 0.82 | S | S | * | * | | | trans | -153.4 | 149.1 | 169 | 0 | 0 | 0 | 0 | 0 | 114.6 | | |
| 504 | L | 41.5 | Very low | 41.1 | Very low | 161 Ų | 161 | 147.4 Ų | 147.4 | 84% | 0.843 | 82% | 0.817 | S | S | * | * | | | trans | 50.8 | 97.2 | 160.2 | -63.7 | 166.2 | 0 | 0 | 0 | 115.9 | | |
| 505 | K | 38 | Very low | 41.6 | Very low | 207 Ų | 207 | 144.2 Ų | 144.2 | 90% | 0.9 | 80% | 0.801 | S | S | * | * | | | | -162.5 | 157.2 | 65.3 | -89.5 | 164.1 | -177.5 | 171 | 0 | 113.6 | | |
| 506 | R | 43.1 | Very low | 42.5 | Very low | 244 Ų | 244 | 144.3 Ų | 144.3 | 92% | 0.921 | 79% | 0.794 | S | S | * | * | | | trans | -118.9 | 103.1 | -170.6 | 176.4 | -165.7 | -159.4 | 160.9 | 5.1 | 110.8 | | |
| 507 | S | 35.3 | Very low | 43.4 | Very low | 112 Ų | 112 | 140.5 Ų | 140.5 | 78% | 0.783 | 78% | 0.78 | S | S | * | * | | | trans | 177.5 | 96.6 | 155.1 | 43.5 | 0 | 0 | 0 | 0 | 115.8 | | |
| 508 | R | 32.9 | Very low | 45 | Very low | 240 Ų | 240 | 137 Ų | 137 | 91% | 0.906 | 77% | 0.767 | S | S | * | * | | | | 171.1 | 148.1 | 114.7 | -94.4 | 176.2 | 176 | -172.4 | -1.7 | 111.4 | | |
| 509 | P | 43 | Very low | 47 | Very low | 131 Ų | 131 | 134.5 Ų | 134.5 | 85% | 0.851 | 75% | 0.749 | S | S | * | * | | | trans | -90.7 | 133.3 | 174.4 | 34.6 | -31 | 0 | 0 | 0 | 111.6 | | |
| 510 | S | 36.4 | Very low | 49.3 | Very low | 112 Ų | 112 | 134.4 Ų | 134.4 | 78% | 0.783 | 74% | 0.741 | S | S | * | * | | | trans | -140.6 | 118.4 | 164.3 | 52.8 | 0 | 0 | 0 | 0 | 108 | Q512 | S510-Q512 PolarHBondContact O-N 3.28Š|
| 511 | G | 43.6 | Very low | 51.8 | Low | 84 Ų | 84 | 131.3 Ų | 131.3 | 87% | 0.866 | 72% | 0.722 | S | S | * | * | | | trans | -71.8 | 112.5 | -166.8 | 0 | 0 | 0 | 0 | 0 | 113.7 | | |
| 512 | Q | 42.4 | Very low | 54.7 | Low | 162 Ų | 162 | 128.7 Ų | 128.7 | 76% | 0.757 | 71% | 0.706 | S | S | * | * | | | trans | -112.4 | 85.8 | 154.5 | -75.5 | -166.8 | -56.6 | 0 | 0 | 109.1 | S510 E514 | S510-Q512 PolarHBondContact O-N 3.28Å; Q512-E514 PolarHBondContact O-N 3.48Å |
| 513 | Q | 46.2 | Very low | 56.9 | Low | 192 Ų | 192 | 131.4 Ų | 131.4 | 90% | 0.897 | 70% | 0.7 | S | S | * | * | | | trans | -90.8 | 55 | 164.1 | -167.8 | 172.8 | 69.9 | 0 | 0 | 108.9 | A515 | Q513-A515 PolarHBondContact O-N 3.5Š|
| 514 | E | 50.7 | Low | 59.5 | Low | 157 Ų | 157 | 133 Ų | 133 | 73% | 0.734 | 69% | 0.693 | S | S | * | * | | | trans | -65.6 | 119 | 170.5 | -69.4 | -168.7 | 175.2 | 0 | 0 | 108.2 | Q512 | Q512-E514 PolarHBondContact O-N 3.48Š|
| 515 | A | 53.3 | Low | 62.2 | Low | 54 Ų | 54 | 129 Ų | 129 | 45% | 0.446 | 67% | 0.673 | S | S | . | * | | | trans | -72.2 | 139.7 | -156.1 | 0 | 0 | 0 | 0 | 0 | 112.6 | Q513 C517 S518 | Q513-A515 PolarHBondContact O-N 3.5Å; A515-C517 HydrophobicContact CB-CB 4.36Å; A515-C517 PolarHBondContact O-N 2.97Å; A515-S518 PolarHBondContact O-N 2.8Å; A515-S518 PolarHBondContact O-OG 3.41Å |
| 516 | P | 58.8 | Low | 65 | Low | 101 Ų | 101 | 126.4 Ų | 126.4 | 66% | 0.656 | 66% | 0.657 | S | S | * | * | H | α-helix | trans | -62.9 | -8.1 | 174.8 | 27.3 | -35.7 | 0 | 0 | 0 | 113.7 | Q520 | P516-Q520 WeakPolarHBondContact O-CG 3.31Å; P516-Q520 PolarHBondContact O-N 2.95Å |
| 517 | C | 59.8 | Low | 67.5 | Low | 84 Ų | 84 | 117.5 Ų | 117.5 | 57% | 0.568 | 64% | 0.636 | S | S | * | * | H | α-helix | trans | -69.2 | -37.6 | -180 | -161 | 0 | 0 | 0 | 0 | 113.2 | A515 V519 Q520 Q521 | A515-C517 HydrophobicContact CB-CB 4.36Å; A515-C517 PolarHBondContact O-N 2.97Å; C517-V519 PolarHBondContact O-N 2.8Å; C517-Q520 PolarHBondContact O-N 2.84Å; C517-Q521 PolarHBondContact O-N 2.78Å |
| 518 | S | 72.6 | Confident | 70.5 | Confident | 80 Ų | 80 | 116.7 Ų | 116.7 | 56% | 0.559 | 62% | 0.622 | S | S | * | * | H | α-helix | trans | -63.9 | -44.3 | -177.7 | 57.6 | 0 | 0 | 0 | 0 | 112.2 | A515 Q520 Q521 E522 | A515-S518 PolarHBondContact O-N 2.8Å; A515-S518 PolarHBondContact O-OG 3.41Å; S518-Q520 VanDerWaalsContact C-N 3.29Å; S518-Q520 PolarHBondContact O-N 3.08Å; S518-Q521 PolarHBondContact O-N 3.33Å; S518-E522 PolarHBondContact O-N 3.17Å |
| 519 | V | 86.9 | Confident | 73.5 | Confident | 74 Ų | 74 | 108 Ų | 108 | 45% | 0.448 | 60% | 0.601 | S | S | . | * | H | α-helix | trans | -67.2 | -30.1 | 176.4 | -178.6 | 0 | 0 | 0 | 0 | 111.7 | C517 R523 | C517-V519 PolarHBondContact O-N 2.8Å; V519-R523 WeakPolarHBondContact O-CD 3.41Å; V519-R523 WeakPolarHBondContact O-CG 3.23Å; V519-R523 PolarHBondContact O-N 3.12Å |
| 520 | Q | 90.4 | Very high | 76.2 | Confident | 120 Ų | 120 | 106.7 Ų | 106.7 | 56% | 0.561 | 59% | 0.587 | S | S | * | * | H | α-helix | trans | -73.3 | -41.1 | 173 | -72.7 | -177.6 | 4.2 | 0 | 0 | 112.1 | P516 C517 S518 R523 Q524 | P516-Q520 WeakPolarHBondContact O-CG 3.31Å; P516-Q520 PolarHBondContact O-N 2.95Å; C517-Q520 PolarHBondContact O-N 2.84Å; S518-Q520 VanDerWaalsContact C-N 3.29Å; S518-Q520 PolarHBondContact O-N 3.08Å; Q520-R523 PolarHBondContact O-N 3.34Å; Q520-Q524 WeakPolarHBondContact O-CG 3.18Å; Q520-Q524 PolarHBondContact O-N 3.03Å; Q520-Q524 VanDerWaalsContact O-N 3.09Å |
| 521 | Q | 91.8 | Very high | 79.1 | Confident | 89 Ų | 89 | 109.5 Ų | 109.5 | 42% | 0.416 | 58% | 0.58 | S | S | . | * | H | α-helix | trans | -60.9 | -48.7 | 174.1 | -177.7 | 56.8 | 45 | 0 | 0 | 110.8 | C517 S518 R523 Q524 D525 | C517-Q521 PolarHBondContact O-N 2.78Å; S518-Q521 PolarHBondContact O-N 3.33Å; Q521-R523 VanDerWaalsContact C-N 3.26Å; Q521-R523 PolarHBondContact O-N 3.12Å; Q521-Q524 WeakPolarHBondContact O-CA 3.26Å; Q521-Q524 WeakPolarHBondContact O-CB 3.49Å; Q521-Q524 PolarHBondContact O-N 3.48Å; Q521-D525 PolarHBondContact NE2-OD1 2.91Å; Q521-D525 PolarHBondContact NE2-OD2 3.04Å; Q521-D525 PolarHBondContact O-N 3.17Å |
| 522 | E | 93.6 | Very high | 81.7 | Confident | 92 Ų | 92 | 110.2 Ų | 110.2 | 43% | 0.43 | 56% | 0.564 | S | S | . | * | H | α-helix | trans | -59.8 | -36.2 | 178.4 | -157.6 | -154.5 | 175.2 | 0 | 0 | 112.4 | S518 D525 R526 | S518-E522 PolarHBondContact O-N 3.17Å; E522-D525 PolarHBondContact O-N 3.37Å; E522-R526 VanDerWaalsContact CD-NE 3.27Å; E522-R526 VanDerWaalsContact CD-NH2 3.31Å; E522-R526 VanDerWaalsContact O-CB 3.3Å; E522-R526 WeakPolarHBondContact O-CB 3.22Å; E522-R526 WeakPolarHBondContact O-CG 3.44Å; E522-R526 PolarHBondContact O-N 2.88Å; E522-R526 IonicContact OE1-CZ 3.15Å; E522-R526 IonicContact OE1-NE 2.86Å; E522-R526 PolarHBondContact OE1-NE 3.33Å; E522-R526 IonicContact OE1-NH2 2.66Å; E522-R526 PolarHBondContact OE1-NH2 2.9Å; E522-R526 IonicContact OE2-CZ 3.71Å; E522-R526 IonicContact OE2-NE 3.67Å; E522-R526 IonicContact OE2-NH2 3.31Å; E522-R526 PolarHBondContact OE2-NH2 3.43Å |
| 523 | R | 94.2 | Very high | 84.2 | Confident | 178 Ų | 178 | 107 Ų | 107 | 67% | 0.672 | 55% | 0.549 | S | S | * | . | H | α-helix | trans | -65.8 | -37.7 | 173.7 | -74.9 | 171 | -177.3 | -142.4 | 1.8 | 112.5 | V519 Q520 Q521 A527 | V519-R523 WeakPolarHBondContact O-CD 3.41Å; V519-R523 WeakPolarHBondContact O-CG 3.23Å; V519-R523 PolarHBondContact O-N 3.12Å; Q520-R523 PolarHBondContact O-N 3.34Å; Q521-R523 VanDerWaalsContact C-N 3.26Å; Q521-R523 PolarHBondContact O-N 3.12Å; R523-A527 WeakPolarHBondContact O-CB 3.49Å; R523-A527 PolarHBondContact O-N 3.1Å |
| 524 | Q | 95.6 | Very high | 86.6 | Confident | 119 Ų | 119 | 106.2 Ų | 106.2 | 56% | 0.556 | 54% | 0.538 | S | S | * | . | H | α-helix | trans | -66.7 | -44.6 | 174.2 | -68.7 | 177.7 | 56 | 0 | 0 | 111.3 | Q520 Q521 A527 L528 | Q520-Q524 WeakPolarHBondContact O-CG 3.18Å; Q520-Q524 PolarHBondContact O-N 3.03Å; Q520-Q524 VanDerWaalsContact O-N 3.09Å; Q521-Q524 WeakPolarHBondContact O-CA 3.26Å; Q521-Q524 WeakPolarHBondContact O-CB 3.49Å; Q521-Q524 PolarHBondContact O-N 3.48Å; Q524-A527 WeakPolarHBondContact O-CB 3.42Å; Q524-A527 PolarHBondContact O-N 3.43Å; Q524-L528 WeakPolarHBondContact O-CB 3.47Å; Q524-L528 PolarHBondContact O-N 3.3Å |
| 525 | D | 96.8 | Very high | 88.8 | Confident | 78 Ų | 78 | 103.7 Ų | 103.7 | 42% | 0.417 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -67.3 | -41 | -179.9 | -66.3 | -36.5 | 0 | 0 | 0 | 112.1 | Q521 E522 A527 L528 A529 | Q521-D525 PolarHBondContact NE2-OD1 2.91Å; Q521-D525 PolarHBondContact NE2-OD2 3.04Å; Q521-D525 PolarHBondContact O-N 3.17Å; E522-D525 PolarHBondContact O-N 3.37Å; D525-A527 VanDerWaalsContact C-N 3.34Å; D525-A527 PolarHBondContact O-N 3.07Å; D525-L528 PolarHBondContact O-N 3.2Å; D525-A529 WeakPolarHBondContact O-CB 3.35Å; D525-A529 PolarHBondContact O-N 3.07Å |
| 526 | R | 97.1 | Very high | 90.8 | Very high | 151 Ų | 151 | 107.1 Ų | 107.1 | 57% | 0.57 | 53% | 0.531 | S | S | * | . | H | α-helix | trans | -60 | -41.4 | 170.7 | -73.1 | 171.1 | 178.8 | -150.7 | 10.3 | 111.6 | E522 L530 | E522-R526 VanDerWaalsContact CD-NE 3.27Å; E522-R526 VanDerWaalsContact CD-NH2 3.31Å; E522-R526 VanDerWaalsContact O-CB 3.3Å; E522-R526 WeakPolarHBondContact O-CB 3.22Å; E522-R526 WeakPolarHBondContact O-CG 3.44Å; E522-R526 PolarHBondContact O-N 2.88Å; E522-R526 IonicContact OE1-CZ 3.15Å; E522-R526 IonicContact OE1-NE 2.86Å; E522-R526 PolarHBondContact OE1-NE 3.33Å; E522-R526 IonicContact OE1-NH2 2.66Å; E522-R526 PolarHBondContact OE1-NH2 2.9Å; E522-R526 IonicContact OE2-CZ 3.71Å; E522-R526 IonicContact OE2-NE 3.67Å; E522-R526 IonicContact OE2-NH2 3.31Å; E522-R526 PolarHBondContact OE2-NH2 3.43Å; R526-L530 WeakPolarHBondContact O-CG 3.47Å; R526-L530 PolarHBondContact O-N 3.46Å |
| 527 | A | 96.9 | Very high | 92.3 | Very high | 58 Ų | 58 | 105.7 Ų | 105.7 | 48% | 0.479 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -67.6 | -38.6 | 176.8 | 0 | 0 | 0 | 0 | 0 | 112.5 | R523 Q524 D525 R531 | R523-A527 WeakPolarHBondContact O-CB 3.49Å; R523-A527 PolarHBondContact O-N 3.1Å; Q524-A527 WeakPolarHBondContact O-CB 3.42Å; Q524-A527 PolarHBondContact O-N 3.43Å; D525-A527 VanDerWaalsContact C-N 3.34Å; D525-A527 PolarHBondContact O-N 3.07Å; A527-R531 PolarHBondContact O-N 2.85Å |
| 528 | L | 97.2 | Very high | 93.8 | Very high | 94 Ų | 94 | 106.6 Ų | 106.6 | 49% | 0.492 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -65 | -46.1 | 174.3 | 179.9 | 60.2 | 0 | 0 | 0 | 111.4 | Q524 D525 L530 R531 L532 | Q524-L528 WeakPolarHBondContact O-CB 3.47Å; Q524-L528 PolarHBondContact O-N 3.3Å; D525-L528 PolarHBondContact O-N 3.2Å; L528-L530 VanDerWaalsContact C-N 3.35Å; L528-L530 PolarHBondContact O-N 2.85Å; L528-R531 WeakPolarHBondContact O-CB 3.38Å; L528-R531 PolarHBondContact O-N 3.09Å; L528-R531 VanDerWaalsContact O-N 3.1Å; L528-L532 HydrophobicContact CD1-CD1 4.31Å; L528-L532 HydrophobicContact CD1-CG 4.3Å; L528-L532 HydrophobicContact CG-CD1 4.11Å; L528-L532 WeakPolarHBondContact O-CG 3.5Å; L528-L532 PolarHBondContact O-N 2.91Å |
| 529 | A | 97.2 | Very high | 94.5 | Very high | 57 Ų | 57 | 109 Ų | 109 | 47% | 0.471 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -58.3 | -44.7 | 176.3 | 0 | 0 | 0 | 0 | 0 | 111.9 | D525 R531 L532 Q533 | D525-A529 WeakPolarHBondContact O-CB 3.35Å; D525-A529 PolarHBondContact O-N 3.07Å; A529-R531 VanDerWaalsContact C-N 3.32Å; A529-R531 PolarHBondContact O-N 3.34Å; A529-L532 PolarHBondContact O-N 2.97Å; A529-Q533 WeakPolarHBondContact O-CB 3.47Å; A529-Q533 PolarHBondContact O-N 3.23Å |
| 530 | L | 97.9 | Very high | 94.1 | Very high | 104 Ų | 104 | 109 Ų | 109 | 55% | 0.545 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -64.2 | -34.2 | 175 | -71.9 | 171.7 | 0 | 0 | 0 | 112.9 | R526 L528 R534 | R526-L530 WeakPolarHBondContact O-CG 3.47Å; R526-L530 PolarHBondContact O-N 3.46Å; L528-L530 VanDerWaalsContact C-N 3.35Å; L528-L530 PolarHBondContact O-N 2.85Å; L530-R534 WeakPolarHBondContact O-CD 3.42Å; L530-R534 VanDerWaalsContact O-CG 3.22Å; L530-R534 WeakPolarHBondContact O-CG 3.37Å; L530-R534 PolarHBondContact O-N 3.04Å; L530-R534 VanDerWaalsContact O-N 3.12Å |
| 531 | R | 97.9 | Very high | 93.3 | Very high | 172 Ų | 172 | 113.8 Ų | 113.8 | 65% | 0.649 | 53% | 0.532 | S | S | * | . | H | α-helix | trans | -67.6 | -45.5 | 174.3 | -175.3 | 176.5 | 179.8 | 157.4 | 1.4 | 111.5 | A527 L528 A529 R534 Q535 | A527-R531 PolarHBondContact O-N 2.85Å; L528-R531 WeakPolarHBondContact O-CB 3.38Å; L528-R531 PolarHBondContact O-N 3.09Å; L528-R531 VanDerWaalsContact O-N 3.1Å; A529-R531 VanDerWaalsContact C-N 3.32Å; A529-R531 PolarHBondContact O-N 3.34Å; R531-R534 PolarHBondContact O-N 2.97Å; R531-Q535 WeakPolarHBondContact O-CG 3.44Å; R531-Q535 PolarHBondContact O-N 3.44Å |
| 532 | L | 97.6 | Very high | 92.2 | Very high | 98 Ų | 98 | 119.9 Ų | 119.9 | 51% | 0.513 | 55% | 0.551 | S | S | . | * | H | α-helix | trans | -64.5 | -42.6 | 177.6 | -68.1 | 172.1 | 0 | 0 | 0 | 111.8 | L528 A529 R534 Q535 F536 | L528-L532 HydrophobicContact CD1-CD1 4.31Å; L528-L532 HydrophobicContact CD1-CG 4.3Å; L528-L532 HydrophobicContact CG-CD1 4.11Å; L528-L532 WeakPolarHBondContact O-CG 3.5Å; L528-L532 PolarHBondContact O-N 2.91Å; A529-L532 PolarHBondContact O-N 2.97Å; L532-R534 PolarHBondContact O-N 3.18Å; L532-Q535 WeakPolarHBondContact O-CB 3.4Å; L532-Q535 PolarHBondContact O-N 2.88Å; L532-F536 PolarHBondContact O-N 3.33Å |
| 533 | Q | 96.4 | Very high | 90.8 | Very high | 96 Ų | 96 | 119.2 Ų | 119.2 | 45% | 0.449 | 55% | 0.553 | S | S | . | * | H | α-helix | trans | -59.1 | -47 | 174.5 | -176.2 | 59.7 | 50.6 | 0 | 0 | 111.3 | A529 Q535 F536 D537 | A529-Q533 WeakPolarHBondContact O-CB 3.47Å; A529-Q533 PolarHBondContact O-N 3.23Å; Q533-Q535 VanDerWaalsContact C-N 3.3Å; Q533-Q535 PolarHBondContact O-N 3.01Å; Q533-F536 PolarHBondContact O-N 2.85Å; Q533-F536 VanDerWaalsContact O-N 3.17Å; Q533-D537 VanDerWaalsContact NE2-CG 3.28Å; Q533-D537 PolarHBondContact NE2-OD1 3.24Å; Q533-D537 PolarHBondContact NE2-OD2 3.37Å; Q533-D537 VanDerWaalsContact NE2-OD2 3.13Å; Q533-D537 VanDerWaalsContact O-CG 3.28Å; Q533-D537 PolarHBondContact O-N 2.9Å |
| 534 | R | 96.7 | Very high | 89.1 | Confident | 175 Ų | 175 | 113.7 Ų | 113.7 | 66% | 0.66 | 54% | 0.542 | S | S | * | . | H | α-helix | trans | -60.3 | -36.9 | 175.5 | -71.9 | 169.2 | -175.3 | -168.4 | 2.6 | 112.8 | L530 R531 L532 L538 | L530-R534 WeakPolarHBondContact O-CD 3.42Å; L530-R534 VanDerWaalsContact O-CG 3.22Å; L530-R534 WeakPolarHBondContact O-CG 3.37Å; L530-R534 PolarHBondContact O-N 3.04Å; L530-R534 VanDerWaalsContact O-N 3.12Å; R531-R534 PolarHBondContact O-N 2.97Å; L532-R534 PolarHBondContact O-N 3.18Å; R534-L538 WeakPolarHBondContact O-CB 3.5Å; R534-L538 WeakPolarHBondContact O-CD1 3.34Å; R534-L538 VanDerWaalsContact O-CG 3.22Å; R534-L538 WeakPolarHBondContact O-CG 3.32Å; R534-L538 PolarHBondContact O-N 3.41Å; R534-L538 VanDerWaalsContact O-N 3.08Å |
| 535 | Q | 95.8 | Very high | 87.4 | Confident | 104 Ų | 104 | 114.2 Ų | 114.2 | 49% | 0.486 | 56% | 0.556 | S | S | . | * | H | α-helix | trans | -66.3 | -45.4 | 174.5 | -72.9 | 177 | -108.9 | 0 | 0 | 111.4 | R531 L532 Q533 L538 E539 | R531-Q535 WeakPolarHBondContact O-CG 3.44Å; R531-Q535 PolarHBondContact O-N 3.44Å; L532-Q535 WeakPolarHBondContact O-CB 3.4Å; L532-Q535 PolarHBondContact O-N 2.88Å; Q533-Q535 VanDerWaalsContact C-N 3.3Å; Q533-Q535 PolarHBondContact O-N 3.01Å; Q535-L538 PolarHBondContact O-N 3.49Å; Q535-E539 WeakPolarHBondContact O-CB 3.27Å; Q535-E539 PolarHBondContact O-N 3.3Å |
| 536 | F | 94.9 | Very high | 85.3 | Confident | 126 Ų | 126 | 115.2 Ų | 115.2 | 55% | 0.553 | 56% | 0.561 | S | S | * | * | H | α-helix | trans | -60.7 | -45.4 | 175.6 | -178.1 | -98.8 | 0 | 0 | 0 | 112.1 | L532 Q533 L538 E539 V540 | L532-F536 PolarHBondContact O-N 3.33Å; Q533-F536 PolarHBondContact O-N 2.85Å; Q533-F536 VanDerWaalsContact O-N 3.17Å; F536-L538 VanDerWaalsContact C-N 3.33Å; F536-L538 PolarHBondContact O-N 2.88Å; F536-E539 PolarHBondContact O-N 3.07Å; F536-E539 VanDerWaalsContact O-N 3.12Å; F536-V540 HydrophobicContact CD1-CG2 3.99Å; F536-V540 HydrophobicContact CD2-CG2 4.5Å; F536-V540 HydrophobicContact CE1-CG2 3.59Å; F536-V540 HydrophobicContact CE2-CG2 4.14Å; F536-V540 HydrophobicContact CG-CG2 4.43Å; F536-V540 HydrophobicContact CZ-CG2 3.68Å; F536-V540 WeakPolarHBondContact O-CB 3.36Å; F536-V540 WeakPolarHBondContact O-CG2 3.48Å; F536-V540 PolarHBondContact O-N 3.48Å |
| 537 | D | 91.3 | Very high | 83.3 | Confident | 70 Ų | 70 | 117.7 Ų | 117.7 | 37% | 0.374 | 57% | 0.57 | S | S | . | * | H | α-helix | trans | -64.5 | -36.4 | 178.5 | -66.5 | -33.6 | 0 | 0 | 0 | 112.3 | Q533 R541 | Q533-D537 VanDerWaalsContact NE2-CG 3.28Å; Q533-D537 PolarHBondContact NE2-OD1 3.24Å; Q533-D537 PolarHBondContact NE2-OD2 3.37Å; Q533-D537 VanDerWaalsContact NE2-OD2 3.13Å; Q533-D537 VanDerWaalsContact O-CG 3.28Å; Q533-D537 PolarHBondContact O-N 2.9Å; D537-R541 VanDerWaalsContact O-CB 3.31Å; D537-R541 WeakPolarHBondContact O-CB 3.22Å; D537-R541 WeakPolarHBondContact O-CG 3.42Å; D537-R541 PolarHBondContact O-N 2.86Å |
| 538 | L | 91.1 | Very high | 81.1 | Confident | 103 Ų | 103 | 122.9 Ų | 122.9 | 54% | 0.539 | 58% | 0.579 | S | S | . | * | H | α-helix | trans | -67.1 | -37.6 | 172.3 | -74.8 | 169.5 | 0 | 0 | 0 | 112 | R534 Q535 F536 R541 R542 | R534-L538 WeakPolarHBondContact O-CB 3.5Å; R534-L538 WeakPolarHBondContact O-CD1 3.34Å; R534-L538 VanDerWaalsContact O-CG 3.22Å; R534-L538 WeakPolarHBondContact O-CG 3.32Å; R534-L538 PolarHBondContact O-N 3.41Å; R534-L538 VanDerWaalsContact O-N 3.08Å; Q535-L538 PolarHBondContact O-N 3.49Å; F536-L538 VanDerWaalsContact C-N 3.33Å; F536-L538 PolarHBondContact O-N 2.88Å; L538-R541 PolarHBondContact O-N 3.35Å; L538-R542 WeakPolarHBondContact O-CB 3.44Å; L538-R542 VanDerWaalsContact O-CG 3.27Å; L538-R542 WeakPolarHBondContact O-CG 3.25Å; L538-R542 PolarHBondContact O-N 2.9Å |
| 539 | E | 86.7 | Confident | 79.1 | Confident | 131 Ų | 131 | 126.2 Ų | 126.2 | 61% | 0.612 | 59% | 0.589 | S | S | * | * | H | α-helix | trans | -73 | -39.1 | 177.9 | -173.1 | 145.7 | -145 | 0 | 0 | 112.3 | Q535 F536 R541 R542 T543 | Q535-E539 WeakPolarHBondContact O-CB 3.27Å; Q535-E539 PolarHBondContact O-N 3.3Å; F536-E539 PolarHBondContact O-N 3.07Å; F536-E539 VanDerWaalsContact O-N 3.12Å; E539-R541 VanDerWaalsContact C-N 3.34Å; E539-R541 PolarHBondContact O-N 3.13Å; E539-R542 PolarHBondContact O-N 2.9Å; E539-T543 VanDerWaalsContact O-CB 3.26Å; E539-T543 WeakPolarHBondContact O-CB 3.24Å; E539-T543 PolarHBondContact O-N 2.84Å; E539-T543 PolarHBondContact O-OG1 2.82Å |
| 540 | V | 78.9 | Confident | 77 | Confident | 75 Ų | 75 | 131.1 Ų | 131.1 | 46% | 0.455 | 61% | 0.607 | S | S | . | * | H | α-helix | trans | -63.2 | -38.9 | 170.6 | 170.1 | 0 | 0 | 0 | 0 | 111.2 | F536 | F536-V540 HydrophobicContact CD1-CG2 3.99Å; F536-V540 HydrophobicContact CD2-CG2 4.5Å; F536-V540 HydrophobicContact CE1-CG2 3.59Å; F536-V540 HydrophobicContact CE2-CG2 4.14Å; F536-V540 HydrophobicContact CG-CG2 4.43Å; F536-V540 HydrophobicContact CZ-CG2 3.68Å; F536-V540 WeakPolarHBondContact O-CB 3.36Å; F536-V540 WeakPolarHBondContact O-CG2 3.48Å; F536-V540 PolarHBondContact O-N 3.48Å |
| 541 | R | 73.4 | Confident | 74.8 | Confident | 219 Ų | 219 | 136.7 Ų | 136.7 | 83% | 0.826 | 62% | 0.621 | S | S | * | * | H | α-helix | trans | -74.6 | -24.6 | 176.3 | -71.2 | 175.4 | 74.1 | 158.4 | 4.3 | 113.7 | D537 L538 E539 | D537-R541 VanDerWaalsContact O-CB 3.31Å; D537-R541 WeakPolarHBondContact O-CB 3.22Å; D537-R541 WeakPolarHBondContact O-CG 3.42Å; D537-R541 PolarHBondContact O-N 2.86Å; L538-R541 PolarHBondContact O-N 3.35Å; E539-R541 VanDerWaalsContact C-N 3.34Å; E539-R541 PolarHBondContact O-N 3.13Å |
| 542 | R | 69.4 | Low | 72.4 | Confident | 217 Ų | 217 | 131.9 Ų | 131.9 | 82% | 0.819 | 61% | 0.613 | S | S | * | * | H | α-helix | trans | -83 | -30.6 | 172.2 | -77.4 | 172.7 | 167.7 | -177.5 | -4.1 | 112.8 | L538 E539 S544 | L538-R542 WeakPolarHBondContact O-CB 3.44Å; L538-R542 VanDerWaalsContact O-CG 3.27Å; L538-R542 WeakPolarHBondContact O-CG 3.25Å; L538-R542 PolarHBondContact O-N 2.9Å; E539-R542 PolarHBondContact O-N 2.9Å; R542-S544 PolarHBondContact O-N 2.77Å; R542-S544 VanDerWaalsContact O-N 3.1Å |
| 543 | T | 62.9 | Low | 70 | Confident | 78 Ų | 78 | 136.5 Ų | 136.5 | 48% | 0.479 | 62% | 0.624 | S | S | . | * | S | Bend | trans | -80.7 | 86.4 | 175.3 | -54.5 | 0 | 0 | 0 | 0 | 109.4 | E539 | E539-T543 VanDerWaalsContact O-CB 3.26Å; E539-T543 WeakPolarHBondContact O-CB 3.24Å; E539-T543 PolarHBondContact O-N 2.84Å; E539-T543 PolarHBondContact O-OG1 2.82Å |
| 544 | S | 59.1 | Low | 67.8 | Low | 63 Ų | 63 | 143.1 Ų | 143.1 | 44% | 0.441 | 65% | 0.645 | S | S | . | * | | | trans | -50.8 | 126.4 | -177.7 | 55.3 | 0 | 0 | 0 | 0 | 111.9 | R542 D546 R547 | R542-S544 PolarHBondContact O-N 2.77Å; R542-S544 VanDerWaalsContact O-N 3.1Å; S544-D546 PolarHBondContact O-N 3.17Å; S544-R547 PolarHBondContact O-N 3.11Å; S544-R547 VanDerWaalsContact O-N 3.13Å |
| 545 | P | 60.3 | Low | 65.8 | Low | 130 Ų | 130 | 139.2 Ų | 139.2 | 84% | 0.844 | 65% | 0.645 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -57.7 | -21.7 | -175.8 | -29.6 | 36 | 0 | 0 | 0 | 114.9 | | |
| 546 | D | 53.6 | Low | 63.7 | Low | 98 Ų | 98 | 139.6 Ų | 139.6 | 52% | 0.524 | 65% | 0.654 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -95.5 | 11.4 | -175.4 | -148.4 | 26.2 | 0 | 0 | 0 | 113.8 | S544 Y548 | S544-D546 PolarHBondContact O-N 3.17Å; D546-Y548 PolarHBondContact O-N 2.98Å |
| 547 | R | 54.2 | Low | 61.4 | Low | 203 Ų | 203 | 140.3 Ų | 140.3 | 77% | 0.766 | 66% | 0.66 | S | S | * | * | S | Bend | trans | -72.5 | -1.1 | 172.9 | -139.6 | 174.8 | -170.2 | 178.2 | 3 | 113.7 | S544 | S544-R547 PolarHBondContact O-N 3.11Å; S544-R547 VanDerWaalsContact O-N 3.13Å |
| 548 | Y | 51.5 | Low | 59.3 | Low | 168 Ų | 168 | 144.6 Ų | 144.6 | 66% | 0.659 | 68% | 0.682 | S | S | * | * | | | trans | -128.3 | 77 | 176.4 | -64 | -77.7 | 0 | 0 | 0 | 112 | D546 L550 R551 | D546-Y548 PolarHBondContact O-N 2.98Å; Y548-L550 PolarHBondContact O-N 3.45Å; Y548-R551 PolarHBondContact O-N 3.35Å |
| 549 | F | 54 | Low | 57.3 | Low | 163 Ų | 163 | 150.7 Ų | 150.7 | 72% | 0.715 | 70% | 0.698 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -48.7 | -18.2 | 174.2 | -74 | -79 | 0 | 0 | 0 | 115.2 | R551 | F549-R551 PolarHBondContact O-N 3.14Š|
| 550 | L | 53.4 | Low | 55.7 | Low | 160 Ų | 160 | 155.7 Ų | 155.7 | 84% | 0.838 | 71% | 0.712 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -79.7 | -1.5 | -177.9 | -61.8 | 174.9 | 0 | 0 | 0 | 115.4 | Y548 | Y548-L550 PolarHBondContact O-N 3.45Š|
| 551 | R | 51.5 | Low | 54.3 | Low | 221 Ų | 221 | 163.6 Ų | 163.6 | 83% | 0.834 | 73% | 0.733 | S | S | * | * | S | Bend | trans | -116.3 | -6.8 | -177.7 | -55.3 | -166.3 | 88.6 | -158.8 | 7.8 | 116 | Y548 F549 W553 | Y548-R551 PolarHBondContact O-N 3.35Å; F549-R551 PolarHBondContact O-N 3.14Å; R551-W553 VanDerWaalsContact C-N 3.32Å; R551-W553 PolarHBondContact O-N 3.01Å |
| 552 | S | 47.7 | Very low | 53.5 | Low | 71 Ų | 71 | 164.9 Ų | 164.9 | 50% | 0.497 | 74% | 0.738 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -82.1 | 3 | -174.5 | 55.6 | 0 | 0 | 0 | 0 | 115.8 | R554 | S552-R554 PolarHBondContact O-N 3.08Å; S552-R554 VanDerWaalsContact O-N 3.08Å |
| 553 | W | 47.5 | Very low | 52.2 | Low | 195 Ų | 195 | 157.9 Ų | 157.9 | 74% | 0.739 | 73% | 0.734 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -51.5 | -31.7 | 177.4 | 169.7 | -109.6 | 0 | 0 | 0 | 114.5 | R551 S555 | R551-W553 VanDerWaalsContact C-N 3.32Å; R551-W553 PolarHBondContact O-N 3.01Å; W553-S555 PolarHBondContact O-N 3.03Å |
| 554 | R | 50.6 | Low | 51.5 | Low | 235 Ų | 235 | 161.9 Ų | 161.9 | 89% | 0.887 | 75% | 0.751 | S | S | * | * | S | Bend | trans | -93.6 | 64.6 | -178.7 | -70 | -166.2 | 175.4 | -155.4 | 1.2 | 113.8 | S552 | S552-R554 PolarHBondContact O-N 3.08Å; S552-R554 VanDerWaalsContact O-N 3.08Å |
| 555 | S | 55 | Low | 50.8 | Low | 94 Ų | 94 | 171 Ų | 171 | 66% | 0.657 | 78% | 0.776 | S | S | * | * | S | Bend | trans | -151.1 | -51.8 | 165.7 | -171.3 | 0 | 0 | 0 | 0 | 115.1 | W553 | W553-S555 PolarHBondContact O-N 3.03Š|
| 556 | T | 51 | Low | 50.1 | Low | 112 Ų | 112 | 170.4 Ų | 170.4 | 69% | 0.687 | 77% | 0.77 | S | S | * | * | S | Bend | trans | -83 | -30.7 | -161.1 | 52.4 | 0 | 0 | 0 | 0 | 115.4 | N558 R559 | T556-N558 VanDerWaalsContact C-N 3.31Å; T556-N558 PolarHBondContact O-N 3.26Å; T556-R559 PolarHBondContact O-N 3.4Å |
| 557 | Q | 47 | Very low | 49.6 | Very low | 141 Ų | 141 | 171.3 Ų | 171.3 | 66% | 0.659 | 78% | 0.784 | S | S | * | * | G | 310 helix | trans | -69.5 | -22.2 | -166.6 | -153.1 | 175.4 | 27.1 | 0 | 0 | 114.7 | | |
| 558 | N | 46.2 | Very low | 49.2 | Very low | 160 Ų | 160 | 172.3 Ų | 172.3 | 86% | 0.856 | 79% | 0.788 | S | S | * | * | G | 310 helix | trans | -85.5 | -6.9 | -177.5 | -92 | -40.7 | 0 | 0 | 0 | 115.3 | T556 | T556-N558 VanDerWaalsContact C-N 3.31Å; T556-N558 PolarHBondContact O-N 3.26Å |
| 559 | R | 49.7 | Very low | 49.2 | Very low | 231 Ų | 231 | 170.2 Ų | 170.2 | 87% | 0.872 | 80% | 0.795 | S | S | * | * | G | 310 helix | trans | -86.6 | -8.6 | -177.7 | -78.5 | -168.5 | 176.2 | -167 | 0.2 | 115.7 | T556 | T556-R559 PolarHBondContact O-N 3.4Š|
| 560 | R | 52.8 | Low | 49.2 | Very low | 236 Ų | 236 | 170.1 Ų | 170.1 | 89% | 0.891 | 80% | 0.8 | S | S | * | * | S | Bend | trans | -107.5 | 11.1 | -170.2 | -72.1 | -164.1 | 177.3 | -146 | 2 | 117.2 | | |
| 561 | R | 50.4 | Low | 49 | Very low | 241 Ų | 241 | 167.4 Ų | 167.4 | 91% | 0.909 | 79% | 0.794 | S | S | * | * | S | Bend | trans | -138.9 | 41.8 | 179.5 | -68.2 | -168.5 | -178.6 | -97.9 | 3.3 | 115.6 | | |
| 562 | R | 55.4 | Low | 49.1 | Very low | 245 Ų | 245 | 166.6 Ų | 166.6 | 93% | 0.925 | 80% | 0.797 | S | S | * | * | | | trans | -138.7 | 133.4 | 161.5 | -68.4 | -168.3 | -179.2 | -136.4 | -0.9 | 110 | | |
| 563 | G | 43.2 | Very low | 49.5 | Very low | 71 Ų | 71 | 172.1 Ų | 172.1 | 73% | 0.732 | 81% | 0.812 | S | S | * | * | | | trans | 86.5 | 133.6 | -162.1 | 0 | 0 | 0 | 0 | 0 | 110.9 | | |
| 564 | L | 48.3 | Very low | 49.3 | Very low | 161 Ų | 161 | 174.9 Ų | 174.9 | 84% | 0.843 | 84% | 0.84 | S | S | * | * | | | cis | -123.8 | 129.5 | 0.6 | -70.2 | 156.3 | 0 | 0 | 0 | 109.7 | | |
| 565 | R | 43.2 | Very low | 49.2 | Very low | 254 Ų | 254 | 171.9 Ų | 171.9 | 96% | 0.958 | 84% | 0.838 | S | S | * | * | | | trans | -111.3 | 91.6 | 158.9 | -95.2 | -170.1 | 172.2 | -174.4 | -2.4 | 107.7 | S567 | R565-S567 PolarHBondContact O-N 3.36Š|
| 566 | T | 45.7 | Very low | 48.9 | Very low | 119 Ų | 119 | 175.9 Ų | 175.9 | 73% | 0.73 | 85% | 0.847 | S | S | * | * | | | trans | -74.6 | 100.5 | 172.8 | 34.2 | 0 | 0 | 0 | 0 | 109.5 | R568 | T566-R568 PolarHBondContact O-N 3.33Š|
| 567 | S | 43.7 | Very low | 48.8 | Very low | 117 Ų | 117 | 179.5 Ų | 179.5 | 82% | 0.818 | 86% | 0.856 | S | S | * | * | | | trans | -70.5 | 94.1 | 173.6 | 50.4 | 0 | 0 | 0 | 0 | 110.3 | R565 P569 | R565-S567 PolarHBondContact O-N 3.36Å; S567-P569 WeakPolarHBondContact O-CD 3.03Å |
| 568 | R | 45 | Very low | 48.9 | Very low | 224 Ų | 224 | 181.8 Ų | 181.8 | 85% | 0.845 | 87% | 0.867 | S | S | * | * | | | trans | -72.6 | 122.6 | 166.6 | -75.2 | -174.2 | 170.5 | -171 | -3 | 109.5 | T566 | T566-R568 PolarHBondContact O-N 3.33Š|
| 569 | P | 51.1 | Low | 49.1 | Very low | 123 Ų | 123 | 183.1 Ų | 183.1 | 80% | 0.799 | 87% | 0.868 | S | S | * | * | | | trans | -71.5 | 126.6 | 164.2 | 30.3 | -31.6 | 0 | 0 | 0 | 108.7 | S567 S571 | S567-P569 WeakPolarHBondContact O-CD 3.03Å; P569-S571 PolarHBondContact O-N 3.38Å |
| 570 | I | 53.9 | Low | 49 | Very low | 161 Ų | 161 | 179.9 Ų | 179.9 | 83% | 0.826 | 87% | 0.868 | S | S | * | * | | | trans | -82.6 | 100 | 170.7 | -62.1 | 175.1 | 0 | 0 | 0 | 107.1 | K572 | I570-K572 PolarHBondContact O-N 3.21Š|
| 571 | S | 50.1 | Low | 48.8 | Very low | 103 Ų | 103 | 175.9 Ų | 175.9 | 72% | 0.72 | 87% | 0.866 | S | S | * | * | | | trans | -68.1 | 109.6 | 168.8 | 53.4 | 0 | 0 | 0 | 0 | 109.4 | P569 K573 | P569-S571 PolarHBondContact O-N 3.38Å; S571-K573 PolarHBondContact O-N 3.21Å |
| 572 | K | 53.3 | Low | 48.6 | Very low | 204 Ų | 204 | 170.9 Ų | 170.9 | 89% | 0.887 | 86% | 0.863 | S | S | * | * | | | trans | -67.6 | 125 | 161.4 | -67.8 | -171.6 | 177 | -171.5 | 0 | 108.4 | I570 | I570-K572 PolarHBondContact O-N 3.21Š|
| 573 | K | 56 | Low | 48.1 | Very low | 188 Ų | 188 | 164.8 Ų | 164.8 | 82% | 0.817 | 86% | 0.858 | S | S | * | * | | | trans | -119.1 | 134.1 | 155.6 | -81.4 | -168.4 | 171.2 | -170.7 | 0 | 107 | S571 | S571-K573 PolarHBondContact O-N 3.21Š|
| 574 | L | 43.3 | Very low | 48.5 | Very low | 252 Ų | 252 | 173.3 Ų | 173.3 | 100% | 1.319 | 87% | 0.869 | S | S | * | * | | | trans | 23.5 | 0 | 160.7 | -60.7 | 167.2 | 0 | 0 | 0 | 114.8 | | |