| 1 | M | 50.1 | Low | 51.5 | Low | 219 Ų | 219 | 131.5 Ų | 131.5 | 100% | 1.079 | 77% | 0.771 | S | S | * | * | | | | 0 | 61.5 | 0 | -54.5 | -177.9 | -175.4 | 0 | 0 | 107.1 | | |
| 2 | E | 43.2 | Very low | 51.5 | Low | 156 Ų | 156 | 134.8 Ų | 134.8 | 73% | 0.729 | 77% | 0.769 | S | S | * | * | | | | 82.2 | 108.3 | 72.9 | -75.8 | 156.1 | 122.5 | 0 | 0 | 109.5 | | |
| 3 | E | 40.8 | Very low | 51.1 | Low | 166 Ų | 166 | 132.4 Ų | 132.4 | 78% | 0.776 | 77% | 0.766 | S | S | * | * | | | | 93 | 113 | 91.4 | -80.1 | -156.1 | 145.1 | 0 | 0 | 109.6 | | |
| 4 | V | 50.6 | Low | 51.1 | Low | 130 Ų | 130 | 129.2 Ų | 129.2 | 79% | 0.788 | 76% | 0.763 | S | S | * | * | | | | 85.8 | 137.4 | 70 | 166 | 0 | 0 | 0 | 0 | 110.7 | | |
| 5 | P | 68.8 | Low | 50.8 | Low | 122 Ų | 122 | 129.9 Ų | 129.9 | 79% | 0.792 | 77% | 0.769 | S | S | * | * | | | trans | -109.4 | -177.2 | -151.6 | 41.5 | -32.1 | 0 | 0 | 0 | 113.5 | | |
| 6 | A | 52.9 | Low | 50.7 | Low | 94 Ų | 94 | 126.6 Ų | 126.6 | 78% | 0.777 | 77% | 0.77 | S | S | * | * | | | trans | -144.6 | 139.8 | 171.9 | 0 | 0 | 0 | 0 | 0 | 113.7 | | |
| 7 | A | 53.7 | Low | 50.4 | Low | 84 Ų | 84 | 127.4 Ų | 127.4 | 69% | 0.694 | 77% | 0.769 | S | S | * | * | | | trans | 66.1 | 145.7 | 132.1 | 0 | 0 | 0 | 0 | 0 | 119.3 | | |
| 8 | N | 48.6 | Very low | 50.2 | Low | 154 Ų | 154 | 128 Ų | 128 | 82% | 0.824 | 76% | 0.762 | S | S | * | * | | | cis | -165.6 | 169.4 | 2.1 | -107.6 | -6.4 | 0 | 0 | 0 | 106.5 | | |
| 9 | S | 53 | Low | 49.9 | Very low | 93 Ų | 93 | 126.8 Ų | 126.8 | 65% | 0.65 | 76% | 0.761 | S | S | * | * | | | cis | -172.9 | 154.7 | 2.2 | 41.3 | 0 | 0 | 0 | 0 | 111 | | |
| 10 | S | 55.6 | Low | 49.6 | Very low | 95 Ų | 95 | 126.3 Ų | 126.3 | 66% | 0.664 | 76% | 0.764 | S | S | * | * | | | trans | 65.5 | 115.3 | 142.9 | -73.4 | 0 | 0 | 0 | 0 | 120.8 | | |
| 11 | D | 49.8 | Very low | 50 | Low | 133 Ų | 133 | 126.7 Ų | 126.7 | 71% | 0.711 | 77% | 0.769 | S | S | * | * | | | | 92.4 | 146.6 | 81.7 | -78.8 | -56.3 | 0 | 0 | 0 | 111.7 | | |
| 12 | K | 50.7 | Low | 49.4 | Very low | 172 Ų | 172 | 121.8 Ų | 121.8 | 75% | 0.748 | 76% | 0.756 | S | S | * | * | | | cis | -159.5 | 130.5 | 12.8 | -120.9 | 164.6 | -177.5 | 173.9 | 0 | 107.2 | | |
| 13 | S | 46.2 | Very low | 49.4 | Very low | 103 Ų | 103 | 118.7 Ų | 118.7 | 72% | 0.72 | 76% | 0.757 | S | S | * | * | | | | 85.1 | 149.8 | 87.2 | 79.6 | 0 | 0 | 0 | 0 | 117.3 | | |
| 14 | A | 51.8 | Low | 49.6 | Very low | 88 Ų | 88 | 115.2 Ų | 115.2 | 73% | 0.727 | 76% | 0.757 | S | S | * | * | | | trans | 86.7 | 136 | 169.6 | 0 | 0 | 0 | 0 | 0 | 117.2 | | |
| 15 | T | 46.5 | Very low | 49.2 | Very low | 140 Ų | 140 | 115.5 Ų | 115.5 | 86% | 0.859 | 76% | 0.759 | S | S | * | * | | | cis | 155.2 | 145.5 | -27.3 | 36.8 | 0 | 0 | 0 | 0 | 107.2 | | |
| 16 | G | 49.4 | Very low | 48.3 | Very low | 76 Ų | 76 | 116.3 Ų | 116.3 | 78% | 0.784 | 76% | 0.762 | S | S | * | * | | | trans | 113.6 | 95.2 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112.4 | | |
| 17 | D | 44.8 | Very low | 47.6 | Very low | 140 Ų | 140 | 119.2 Ų | 119.2 | 75% | 0.749 | 76% | 0.764 | S | S | * | * | | | cis | 99 | 143.6 | 26.5 | -158.3 | 26.8 | 0 | 0 | 0 | 114.1 | | |
| 18 | Q | 46.4 | Very low | 47.4 | Very low | 139 Ų | 139 | 121.7 Ų | 121.7 | 65% | 0.65 | 77% | 0.771 | S | S | * | * | | | trans | 82.5 | 111.2 | 168.1 | -56 | -56.4 | -33.1 | 0 | 0 | 123 | | |
| 19 | S | 44.8 | Very low | 47.1 | Very low | 106 Ų | 106 | 120.6 Ų | 120.6 | 74% | 0.741 | 77% | 0.765 | S | S | * | * | | | | 84.5 | 117.4 | 123.4 | -71.9 | 0 | 0 | 0 | 0 | 122.7 | | |
| 20 | S | 45 | Very low | 46.7 | Very low | 116 Ų | 116 | 122.8 Ų | 122.8 | 81% | 0.811 | 77% | 0.769 | S | S | * | * | | | trans | -82.3 | 166.8 | 156 | -43.2 | 0 | 0 | 0 | 0 | 111.7 | | |
| 21 | P | 56.5 | Low | 46 | Very low | 135 Ų | 135 | 125.2 Ų | 125.2 | 88% | 0.877 | 78% | 0.775 | S | S | * | * | | | trans | -133.9 | 178.8 | 133.2 | 36.4 | -24.9 | 0 | 0 | 0 | 113.8 | | |
| 22 | S | 38.7 | Very low | 45.5 | Very low | 115 Ų | 115 | 124.2 Ų | 124.2 | 80% | 0.804 | 78% | 0.778 | S | S | * | * | | | trans | -124.7 | 168.8 | -160.1 | -171.1 | 0 | 0 | 0 | 0 | 113.4 | | |
| 23 | A | 43.1 | Very low | 45.4 | Very low | 92 Ų | 92 | 121.8 Ų | 121.8 | 76% | 0.76 | 78% | 0.78 | S | S | * | * | | | trans | 73.5 | 128 | 152.2 | 0 | 0 | 0 | 0 | 0 | 121.7 | | |
| 24 | A | 45.3 | Very low | 44.9 | Very low | 93 Ų | 93 | 122.3 Ų | 122.3 | 77% | 0.769 | 78% | 0.784 | S | S | * | * | | | trans | 147.1 | 97.1 | 143.9 | 0 | 0 | 0 | 0 | 0 | 108.1 | | |
| 25 | V | 42.1 | Very low | 44.5 | Very low | 136 Ų | 136 | 124.3 Ų | 124.3 | 82% | 0.824 | 79% | 0.787 | S | S | * | * | | | | 51.5 | 99.5 | 68.5 | -171.5 | 0 | 0 | 0 | 0 | 113.3 | | |
| 26 | T | 50 | Low | 44.3 | Very low | 139 Ų | 139 | 123.6 Ų | 123.6 | 85% | 0.853 | 78% | 0.783 | S | S | * | * | | | trans | -161.9 | 138 | 131.4 | 20.3 | 0 | 0 | 0 | 0 | 110.4 | | |
| 27 | N | 37.8 | Very low | 43.9 | Very low | 154 Ų | 154 | 126.3 Ų | 126.3 | 82% | 0.824 | 78% | 0.784 | S | S | * | * | | | trans | -75.9 | 151.4 | 167 | -59.7 | -44.2 | 0 | 0 | 0 | 109.7 | | |
| 28 | T | 48.4 | Very low | 43.9 | Very low | 137 Ų | 137 | 124.1 Ų | 124.1 | 84% | 0.84 | 79% | 0.786 | S | S | * | * | | | | -166.4 | 147.7 | 123.7 | 19 | 0 | 0 | 0 | 0 | 113.1 | | |
| 29 | D | 42.6 | Very low | 43.7 | Very low | 131 Ų | 131 | 128.6 Ų | 128.6 | 70% | 0.701 | 80% | 0.797 | S | S | * | * | | | trans | -54.5 | 150.4 | 174.8 | -44.3 | -89.2 | 0 | 0 | 0 | 114 | | |
| 30 | N | 44.4 | Very low | 43.8 | Very low | 138 Ų | 138 | 135.5 Ų | 135.5 | 74% | 0.738 | 81% | 0.807 | S | S | * | * | | | | 162.6 | 141.7 | 109.2 | -88.9 | -68.7 | 0 | 0 | 0 | 114.7 | | |
| 31 | N | 42.1 | Very low | 44 | Very low | 147 Ų | 147 | 135.1 Ų | 135.1 | 79% | 0.786 | 80% | 0.804 | S | S | * | * | | | trans | 61.2 | 122.2 | 148.3 | -66.9 | -41.9 | 0 | 0 | 0 | 122.2 | | |
| 32 | S | 38.3 | Very low | 43.8 | Very low | 112 Ų | 112 | 134.9 Ų | 134.9 | 78% | 0.783 | 80% | 0.8 | S | S | * | * | | | trans | -54.1 | 163.8 | 160.6 | -44.3 | 0 | 0 | 0 | 0 | 113.3 | | |
| 33 | P | 48.9 | Very low | 44.9 | Very low | 120 Ų | 120 | 135.1 Ų | 135.1 | 78% | 0.779 | 80% | 0.799 | S | S | * | * | | | | -138.8 | 155.9 | 98.7 | 37.6 | -26.7 | 0 | 0 | 0 | 115.3 | | |
| 34 | S | 35.7 | Very low | 45.3 | Very low | 114 Ų | 114 | 136.7 Ų | 136.7 | 80% | 0.797 | 80% | 0.801 | S | S | * | * | | | trans | -60.1 | 142.7 | 175.6 | -41.4 | 0 | 0 | 0 | 0 | 113.2 | | |
| 35 | T | 44.3 | Very low | 45 | Very low | 131 Ų | 131 | 140.7 Ų | 140.7 | 80% | 0.804 | 81% | 0.809 | S | S | * | * | | | trans | -158.6 | 138 | 150.5 | 0.3 | 0 | 0 | 0 | 0 | 114.5 | | |
| 36 | T | 42.8 | Very low | 45.5 | Very low | 124 Ų | 124 | 139.4 Ų | 139.4 | 76% | 0.761 | 81% | 0.806 | S | S | * | * | | | trans | 75 | 84.9 | 149.1 | -44.9 | 0 | 0 | 0 | 0 | 119.8 | A38 | T36-A38 PolarHBondContact O-N 3.39Š|
| 37 | T | 39.3 | Very low | 45.5 | Very low | 133 Ų | 133 | 142.5 Ų | 142.5 | 82% | 0.816 | 81% | 0.807 | S | S | * | * | | | trans | -43.8 | 109.8 | 150.9 | -55.5 | 0 | 0 | 0 | 0 | 113.3 | R39 | T37-R39 PolarHBondContact O-N 3.32Š|
| 38 | A | 44.7 | Very low | 45.7 | Very low | 95 Ų | 95 | 141.2 Ų | 141.2 | 79% | 0.785 | 81% | 0.805 | S | S | * | * | | | trans | -83.7 | 103.7 | 168.7 | 0 | 0 | 0 | 0 | 0 | 111 | T36 R40 | T36-A38 PolarHBondContact O-N 3.39Å; A38-R40 PolarHBondContact O-N 3.48Å |
| 39 | R | 42 | Very low | 45.8 | Very low | 232 Ų | 232 | 142.9 Ų | 142.9 | 88% | 0.875 | 80% | 0.8 | S | S | * | * | | | trans | -63.6 | 117.1 | 168.5 | -77.9 | 179.3 | 164.8 | -139 | -1.2 | 109.7 | T37 S41 | T37-R39 PolarHBondContact O-N 3.32Å; R39-S41 PolarHBondContact O-N 3.43Å |
| 40 | R | 47.1 | Very low | 45.9 | Very low | 252 Ų | 252 | 142.1 Ų | 142.1 | 95% | 0.951 | 80% | 0.801 | S | S | * | * | | | trans | -80.4 | 100.3 | 170.3 | -163.7 | 171.8 | -166.2 | -125.5 | 2.5 | 110.3 | A38 | A38-R40 PolarHBondContact O-N 3.48Š|
| 41 | S | 49 | Very low | 46.1 | Very low | 108 Ų | 108 | 142.2 Ų | 142.2 | 76% | 0.755 | 80% | 0.797 | S | S | * | * | P | Polyproline II helix | trans | -68.9 | 146.6 | 175.3 | 27.9 | 0 | 0 | 0 | 0 | 112.6 | R39 | R39-S41 PolarHBondContact O-N 3.43Š|
| 42 | T | 53.2 | Low | 46.8 | Very low | 130 Ų | 130 | 140.3 Ų | 140.3 | 80% | 0.798 | 79% | 0.792 | S | S | * | * | P | Polyproline II helix | trans | -73.5 | 139.4 | 176.8 | 47.1 | 0 | 0 | 0 | 0 | 112.2 | | |
| 43 | P | 61.1 | Low | 47 | Very low | 119 Ų | 119 | 139.3 Ų | 139.3 | 77% | 0.773 | 79% | 0.791 | S | S | * | * | P | Polyproline II helix | trans | -75.6 | 148 | 168.4 | 32.3 | -33.3 | 0 | 0 | 0 | 111.3 | | |
| 44 | P | 51.7 | Low | 46.6 | Very low | 125 Ų | 125 | 142.4 Ų | 142.4 | 81% | 0.812 | 80% | 0.795 | S | S | * | * | P | Polyproline II helix | trans | -83.1 | 147.7 | -170.7 | 32.4 | -35.7 | 0 | 0 | 0 | 114.3 | | |
| 45 | L | 39.6 | Very low | 46.9 | Very low | 178 Ų | 178 | 143.2 Ų | 143.2 | 93% | 0.932 | 80% | 0.795 | S | S | * | * | P | Polyproline II helix | trans | -67.2 | 134.2 | 169.3 | -73.2 | 156 | 0 | 0 | 0 | 111.2 | | |
| 46 | S | 52.2 | Low | 46.8 | Very low | 109 Ų | 109 | 142.7 Ų | 142.7 | 76% | 0.762 | 79% | 0.792 | S | S | * | * | | | trans | -148.2 | 132.6 | 157.3 | 69.5 | 0 | 0 | 0 | 0 | 113.5 | | |
| 47 | K | 49.4 | Very low | 46.7 | Very low | 203 Ų | 203 | 140.5 Ų | 140.5 | 88% | 0.883 | 79% | 0.786 | S | S | * | * | | | trans | 60.4 | 72.1 | 160.4 | -59.7 | -179.6 | -178.4 | 178.1 | 0 | 117.5 | K49 | K47-K49 PolarHBondContact O-N 3.2Š|
| 48 | V | 43.4 | Very low | 46.6 | Very low | 127 Ų | 127 | 143.4 Ų | 143.4 | 77% | 0.77 | 79% | 0.788 | S | S | * | * | | | trans | -66.4 | 123.3 | 149.6 | 175.6 | 0 | 0 | 0 | 0 | 108.5 | | |
| 49 | K | 50.7 | Low | 46.5 | Very low | 172 Ų | 172 | 145.8 Ų | 145.8 | 75% | 0.748 | 79% | 0.787 | S | S | * | * | | | trans | -95.6 | 109.7 | 161.7 | -178 | 168.8 | 173.8 | -179.4 | 0 | 107.9 | K47 E51 | K47-K49 PolarHBondContact O-N 3.2Å; K49-E51 WeakPolarHBondContact CE-OE1 3.28Å; K49-E51 PolarHBondContact O-N 3.44Å |
| 50 | T | 44.5 | Very low | 46.2 | Very low | 116 Ų | 116 | 143.9 Ų | 143.9 | 71% | 0.712 | 79% | 0.788 | S | S | * | * | | | trans | -78.8 | 106.7 | -178.1 | -51.4 | 0 | 0 | 0 | 0 | 110.1 | | |
| 51 | E | 48.7 | Very low | 45.7 | Very low | 140 Ų | 140 | 135.5 Ų | 135.5 | 65% | 0.654 | 78% | 0.78 | S | S | * | * | P | Polyproline II helix | trans | -90.1 | 135.6 | 158.9 | -66.9 | -61.3 | 150.3 | 0 | 0 | 108.4 | K49 | K49-E51 WeakPolarHBondContact CE-OE1 3.28Å; K49-E51 PolarHBondContact O-N 3.44Å |
| 52 | P | 56.3 | Low | 45.2 | Very low | 106 Ų | 106 | 134.4 Ų | 134.4 | 69% | 0.688 | 78% | 0.777 | S | S | * | * | P | Polyproline II helix | trans | -73.7 | 142.6 | -176.4 | 30.3 | -34.2 | 0 | 0 | 0 | 111.5 | E54 | P52-E54 PolarHBondContact O-N 2.93Š|
| 53 | A | 41.5 | Very low | 44.5 | Very low | 91 Ų | 91 | 134.7 Ų | 134.7 | 75% | 0.752 | 78% | 0.779 | S | S | * | * | P | Polyproline II helix | trans | -70.5 | 117.8 | 174.2 | 0 | 0 | 0 | 0 | 0 | 110.6 | T55 | A53-T55 PolarHBondContact O-N 3.29Š|
| 54 | E | 42.3 | Very low | 43.7 | Very low | 185 Ų | 185 | 137.9 Ų | 137.9 | 86% | 0.864 | 78% | 0.781 | S | S | * | * | | | trans | -67.3 | 102.2 | 165.2 | -78.6 | -165.7 | 138.8 | 0 | 0 | 109.9 | P52 V56 | P52-E54 PolarHBondContact O-N 2.93Å; E54-V56 PolarHBondContact O-N 3.32Å; E54-V56 VanDerWaalsContact O-N 3.15Å |
| 55 | T | 42 | Very low | 43 | Very low | 131 Ų | 131 | 138.4 Ų | 138.4 | 80% | 0.804 | 78% | 0.777 | S | S | * | * | | | trans | -69.6 | 100.3 | 165.5 | 21.8 | 0 | 0 | 0 | 0 | 109.3 | A53 A57 | A53-T55 PolarHBondContact O-N 3.29Å; T55-A57 PolarHBondContact O-N 3.15Å |
| 56 | V | 42.3 | Very low | 42.9 | Very low | 121 Ų | 121 | 135.5 Ų | 135.5 | 73% | 0.733 | 77% | 0.77 | S | S | * | * | | | trans | -71.7 | 76.3 | 170 | -174.1 | 0 | 0 | 0 | 0 | 109.7 | E54 F58 | E54-V56 PolarHBondContact O-N 3.32Å; E54-V56 VanDerWaalsContact O-N 3.15Å; V56-F58 HydrophobicContact CG1-CD2 4.24Å; V56-F58 PolarHBondContact O-N 3.36Å |
| 57 | A | 40.7 | Very low | 42 | Very low | 77 Ų | 77 | 137.7 Ų | 137.7 | 64% | 0.636 | 77% | 0.773 | S | S | * | * | | | trans | -82.5 | 95.3 | 163.3 | 0 | 0 | 0 | 0 | 0 | 108 | T55 N59 | T55-A57 PolarHBondContact O-N 3.15Å; A57-N59 PolarHBondContact O-N 3.48Å |
| 58 | F | 37.2 | Very low | 41.6 | Very low | 194 Ų | 194 | 134.2 Ų | 134.2 | 85% | 0.851 | 77% | 0.769 | S | S | * | * | | | trans | -82 | 109.7 | 173.2 | -131.6 | -87.2 | 0 | 0 | 0 | 109.3 | V56 | V56-F58 HydrophobicContact CG1-CD2 4.24Å; V56-F58 PolarHBondContact O-N 3.36Å |
| 59 | N | 40.8 | Very low | 41.5 | Very low | 146 Ų | 146 | 132.7 Ų | 132.7 | 78% | 0.781 | 77% | 0.77 | S | S | * | * | | | trans | -62.1 | 133 | -175.7 | -71.1 | -44.5 | 0 | 0 | 0 | 112.3 | A57 | A57-N59 PolarHBondContact O-N 3.48Š|
| 60 | E | 37.1 | Very low | 40.8 | Very low | 192 Ų | 192 | 129.4 Ų | 129.4 | 90% | 0.897 | 77% | 0.768 | S | S | * | * | | | trans | -67.5 | 150.2 | 151.6 | -64.7 | -168.9 | 143.4 | 0 | 0 | 109.8 | | |
| 61 | G | 36.5 | Very low | 40.7 | Very low | 76 Ų | 76 | 135.8 Ų | 135.8 | 78% | 0.784 | 78% | 0.779 | S | S | * | * | | | trans | 101.3 | 83.9 | 166.2 | 0 | 0 | 0 | 0 | 0 | 116.3 | | |
| 62 | A | 38.5 | Very low | 40.2 | Very low | 84 Ų | 84 | 136 Ų | 136 | 69% | 0.694 | 79% | 0.785 | S | S | * | * | | | trans | -154.1 | 74.4 | 150.8 | 0 | 0 | 0 | 0 | 0 | 110.3 | K64 | A62-K64 PolarHBondContact O-N 3Š|
| 63 | V | 37.4 | Very low | 39.5 | Very low | 137 Ų | 137 | 136.2 Ų | 136.2 | 83% | 0.83 | 79% | 0.789 | S | S | * | * | | | trans | -64.6 | 102.9 | 172.3 | -168.9 | 0 | 0 | 0 | 0 | 108.3 | | |
| 64 | K | 44.7 | Very low | 39.6 | Very low | 185 Ų | 185 | 138.3 Ų | 138.3 | 80% | 0.804 | 79% | 0.792 | S | S | * | * | | | trans | -99 | 101.5 | 174.1 | -77.6 | -173.2 | 176.9 | 178.9 | 0 | 110 | A62 C66 | A62-K64 PolarHBondContact O-N 3Å; K64-C66 PolarHBondContact O-N 3.36Å |
| 65 | N | 38 | Very low | 39.3 | Very low | 137 Ų | 137 | 138.9 Ų | 138.9 | 73% | 0.733 | 80% | 0.795 | S | S | * | * | | | trans | -61.5 | 116.4 | 171.2 | -66.1 | -11 | 0 | 0 | 0 | 110.2 | | |
| 66 | C | 36 | Very low | 39.2 | Very low | 116 Ų | 116 | 137 Ų | 137 | 78% | 0.784 | 79% | 0.793 | S | S | * | * | | | trans | -99.9 | 81.9 | 161.8 | -73.1 | 0 | 0 | 0 | 0 | 109.1 | K64 T68 | K64-C66 PolarHBondContact O-N 3.36Å; C66-T68 PolarHBondContact O-N 2.99Å |
| 67 | N | 34.7 | Very low | 39.2 | Very low | 155 Ų | 155 | 136.8 Ų | 136.8 | 83% | 0.829 | 80% | 0.797 | S | S | * | * | | | trans | -73.7 | 111.4 | 162 | -88.5 | -14.4 | 0 | 0 | 0 | 108.6 | | |
| 68 | T | 40.4 | Very low | 39.6 | Very low | 131 Ų | 131 | 141 Ų | 141 | 80% | 0.804 | 81% | 0.805 | S | S | * | * | | | trans | -122.7 | 98.7 | 166.8 | 50.3 | 0 | 0 | 0 | 0 | 111 | C66 | C66-T68 PolarHBondContact O-N 2.99Š|
| 69 | A | 40.8 | Very low | 39.9 | Very low | 95 Ų | 95 | 138.6 Ų | 138.6 | 79% | 0.785 | 80% | 0.801 | S | S | * | * | | | trans | 43.5 | 91.8 | 145.2 | 0 | 0 | 0 | 0 | 0 | 118.9 | | |
| 70 | S | 36.2 | Very low | 39.6 | Very low | 102 Ų | 102 | 141.3 Ų | 141.3 | 71% | 0.713 | 80% | 0.801 | S | S | * | * | | | | 30.3 | 115.6 | 114.5 | -167.8 | 0 | 0 | 0 | 0 | 118.4 | | |
| 71 | R | 42.7 | Very low | 40.1 | Very low | 251 Ų | 251 | 137.9 Ų | 137.9 | 95% | 0.947 | 80% | 0.795 | S | S | * | * | | | trans | -148.6 | 103.3 | 140.1 | -114.5 | 173.1 | -179.5 | 159.8 | 1.2 | 110 | | |
| 72 | N | 37.8 | Very low | 40.1 | Very low | 144 Ų | 144 | 141 Ų | 141 | 77% | 0.77 | 79% | 0.789 | S | S | * | * | | | trans | -80 | 134.5 | 174.9 | -64.5 | -14.8 | 0 | 0 | 0 | 110.6 | | |
| 73 | S | 41.5 | Very low | 40.1 | Very low | 110 Ų | 110 | 142 Ų | 142 | 77% | 0.769 | 79% | 0.786 | S | S | * | * | | | trans | -153 | 81.3 | 157.1 | -62.4 | 0 | 0 | 0 | 0 | 107.2 | | |
| 74 | T | 44.3 | Very low | 40.6 | Very low | 135 Ų | 135 | 144.8 Ų | 144.8 | 83% | 0.828 | 79% | 0.787 | S | S | * | * | | | | 72.6 | 127.3 | 100.1 | 54 | 0 | 0 | 0 | 0 | 115.2 | | |
| 75 | E | 35 | Very low | 40.1 | Very low | 197 Ų | 197 | 142.2 Ų | 142.2 | 92% | 0.921 | 78% | 0.782 | S | S | * | * | | | trans | -81.8 | 150 | -171.8 | -53.8 | 159.7 | 120 | 0 | 0 | 113.4 | | |
| 76 | A | 41.2 | Very low | 40.7 | Very low | 93 Ų | 93 | 145 Ų | 145 | 77% | 0.769 | 79% | 0.791 | S | S | * | * | | | trans | -173.9 | 106 | 149 | 0 | 0 | 0 | 0 | 0 | 106.3 | | |
| 77 | S | 42.4 | Very low | 40.9 | Very low | 115 Ų | 115 | 147.8 Ų | 147.8 | 80% | 0.804 | 79% | 0.792 | S | S | * | * | | | | 45.8 | 100.1 | 71.6 | -162.8 | 0 | 0 | 0 | 0 | 113.5 | | |
| 78 | M | 49.6 | Very low | 41.1 | Very low | 165 Ų | 165 | 145.4 Ų | 145.4 | 81% | 0.813 | 79% | 0.788 | S | S | * | * | | | | -177.7 | 123.7 | 126.7 | -97.9 | -162.8 | -178.9 | 0 | 0 | 113.6 | | |
| 79 | N | 43.3 | Very low | 41.1 | Very low | 144 Ų | 144 | 144.4 Ų | 144.4 | 77% | 0.77 | 78% | 0.782 | S | S | * | * | | | trans | 53.1 | 125.3 | 137.9 | -59.8 | -34.1 | 0 | 0 | 0 | 123.1 | | |
| 80 | R | 33.5 | Very low | 41.3 | Very low | 204 Ų | 204 | 146.4 Ų | 146.4 | 77% | 0.77 | 78% | 0.779 | S | S | * | * | | | trans | -91.6 | 135.7 | 163.2 | 169.6 | -173.7 | -175.6 | -145.8 | 3 | 110.4 | | |
| 81 | P | 46.9 | Very low | 41.6 | Very low | 119 Ų | 119 | 151.5 Ų | 151.5 | 77% | 0.773 | 78% | 0.782 | S | S | * | * | | | trans | -90.8 | 160.7 | 161.2 | 5.3 | 13.7 | 0 | 0 | 0 | 112.3 | | |
| 82 | Q | 38.2 | Very low | 41.5 | Very low | 143 Ų | 143 | 146.5 Ų | 146.5 | 67% | 0.668 | 77% | 0.774 | S | S | * | * | | | trans | -122.1 | 161.7 | -176.3 | -91.4 | -145.3 | 19.4 | 0 | 0 | 112.7 | | |
| 83 | V | 38.3 | Very low | 41.9 | Very low | 103 Ų | 103 | 147 Ų | 147 | 62% | 0.624 | 78% | 0.777 | S | S | * | * | | | trans | 67.4 | 123.4 | 153.3 | 170.4 | 0 | 0 | 0 | 0 | 118.3 | | |
| 84 | K | 46.3 | Very low | 42 | Very low | 197 Ų | 197 | 146.4 Ų | 146.4 | 86% | 0.857 | 77% | 0.772 | S | S | * | * | | | | -156.2 | 140.9 | 117.5 | -104.1 | 171.7 | -174.6 | -173.3 | 0 | 110.2 | | |
| 85 | N | 35.4 | Very low | 42.3 | Very low | 131 Ų | 131 | 144.4 Ų | 144.4 | 70% | 0.701 | 77% | 0.77 | S | S | * | * | | | trans | -109.3 | 146.3 | -177.4 | -46 | -24.2 | 0 | 0 | 0 | 108.1 | | |
| 86 | E | 51.3 | Low | 42.8 | Very low | 195 Ų | 195 | 142.2 Ų | 142.2 | 91% | 0.911 | 76% | 0.764 | S | S | * | * | | | trans | -144.8 | 145.7 | 157.4 | -64.2 | -64.8 | 153 | 0 | 0 | 107.4 | | |
| 87 | E | 38.5 | Very low | 43 | Very low | 174 Ų | 174 | 143.6 Ų | 143.6 | 81% | 0.813 | 77% | 0.767 | S | S | * | * | | | trans | -139 | 129.1 | -161.5 | 173 | -174 | 148.5 | 0 | 0 | 111.6 | | |
| 88 | S | 40.4 | Very low | 43.1 | Very low | 105 Ų | 105 | 145.4 Ų | 145.4 | 73% | 0.734 | 77% | 0.768 | S | S | * | * | | | trans | 176.2 | 109.6 | 156.2 | 54 | 0 | 0 | 0 | 0 | 109.2 | | |
| 89 | T | 40.1 | Very low | 42.9 | Very low | 110 Ų | 110 | 142.9 Ų | 142.9 | 68% | 0.675 | 77% | 0.767 | S | S | * | * | | | | 60.1 | 111.6 | 68.7 | 68.6 | 0 | 0 | 0 | 0 | 115.8 | | |
| 90 | L | 44.3 | Very low | 42.9 | Very low | 138 Ų | 138 | 139.1 Ų | 139.1 | 72% | 0.723 | 76% | 0.762 | S | S | * | * | | | | 152.6 | 123.7 | 122.4 | -80.3 | 160.8 | 0 | 0 | 0 | 114.6 | | |
| 91 | R | 42.2 | Very low | 43.3 | Very low | 209 Ų | 209 | 137.6 Ų | 137.6 | 79% | 0.789 | 77% | 0.769 | S | S | * | * | | | trans | 61.1 | 122.3 | 141.7 | -61.9 | 179.3 | -167.9 | -168.1 | 4.9 | 119 | | |
| 92 | D | 41 | Very low | 42.8 | Very low | 146 Ų | 146 | 139.8 Ų | 139.8 | 78% | 0.781 | 77% | 0.769 | S | S | * | * | | | | 88.8 | 147.8 | 56.2 | -73.1 | -50 | 0 | 0 | 0 | 113.3 | | |
| 93 | D | 46.2 | Very low | 43.6 | Very low | 155 Ų | 155 | 137.1 Ų | 137.1 | 83% | 0.829 | 76% | 0.764 | S | S | * | * | | | trans | 71.9 | 146.5 | -179.9 | -66.2 | -51.7 | 0 | 0 | 0 | 118.4 | | |
| 94 | S | 43.4 | Very low | 43.8 | Very low | 96 Ų | 96 | 140 Ų | 140 | 67% | 0.671 | 77% | 0.771 | S | S | * | * | | | cis | 164.6 | 162 | -34.4 | 52.3 | 0 | 0 | 0 | 0 | 106.9 | | |
| 95 | A | 50.8 | Low | 43.6 | Very low | 94 Ų | 94 | 138.2 Ų | 138.2 | 78% | 0.777 | 77% | 0.769 | S | S | * | * | | | trans | 68.1 | 161.8 | -179.2 | 0 | 0 | 0 | 0 | 0 | 117.2 | | |
| 96 | D | 46.1 | Very low | 43.8 | Very low | 150 Ų | 150 | 135.7 Ų | 135.7 | 80% | 0.802 | 77% | 0.766 | S | S | * | * | | | cis | -169.4 | 176.9 | -44 | -111.8 | -43.7 | 0 | 0 | 0 | 108.4 | | |
| 97 | C | 44.9 | Very low | 43.3 | Very low | 123 Ų | 123 | 132.4 Ų | 132.4 | 83% | 0.831 | 76% | 0.76 | S | S | * | * | | | trans | 72.4 | 128.4 | 172 | -46.5 | 0 | 0 | 0 | 0 | 115.9 | | |
| 98 | D | 44.6 | Very low | 43.5 | Very low | 152 Ų | 152 | 129.3 Ų | 129.3 | 81% | 0.813 | 75% | 0.753 | S | S | * | * | | | cis | 97.3 | 140.3 | 26.7 | -163.8 | 36 | 0 | 0 | 0 | 115.8 | | |
| 99 | S | 45.9 | Very low | 43.6 | Very low | 113 Ų | 113 | 130.5 Ų | 130.5 | 79% | 0.79 | 76% | 0.756 | S | S | * | * | | | trans | 63.8 | 144.1 | -174.5 | 73.2 | 0 | 0 | 0 | 0 | 116.7 | | |
| 100 | G | 42.8 | Very low | 43.9 | Very low | 65 Ų | 65 | 131 Ų | 131 | 67% | 0.67 | 76% | 0.759 | S | S | * | * | | | cis | 132.6 | 106.7 | -3 | 0 | 0 | 0 | 0 | 0 | 112 | | |
| 101 | N | 41.3 | Very low | 43.7 | Very low | 171 Ų | 171 | 131.3 Ų | 131.3 | 91% | 0.914 | 76% | 0.761 | S | S | * | * | | | trans | 173.4 | 121.4 | 151.6 | -92.7 | -13.2 | 0 | 0 | 0 | 113.7 | | |
| 102 | E | 37.6 | Very low | 43.8 | Very low | 165 Ų | 165 | 127.4 Ų | 127.4 | 77% | 0.771 | 77% | 0.767 | S | S | * | * | | | trans | -74.2 | 177.8 | 144.5 | -87.4 | -81.2 | 138.5 | 0 | 0 | 108.5 | | |
| 103 | P | 54.1 | Low | 44 | Very low | 88 Ų | 88 | 125.4 Ų | 125.4 | 57% | 0.571 | 77% | 0.77 | S | S | * | * | | | cis | -154.5 | -174.6 | 31 | 30.3 | -1.5 | 0 | 0 | 0 | 119.1 | | |
| 104 | H | 42.8 | Very low | 43.9 | Very low | 164 Ų | 164 | 123.4 Ų | 123.4 | 76% | 0.759 | 77% | 0.768 | S | S | * | * | | | trans | 72.5 | 158.2 | 157.4 | -51 | -49.4 | 0 | 0 | 0 | 117.8 | | |
| 105 | L | 41.5 | Very low | 44.1 | Very low | 159 Ų | 159 | 123.9 Ų | 123.9 | 83% | 0.832 | 77% | 0.772 | S | S | * | * | | | cis | -148.7 | 167.4 | 2.9 | -158.2 | 64.4 | 0 | 0 | 0 | 110.4 | | |
| 106 | A | 40.1 | Very low | 43.9 | Very low | 77 Ų | 77 | 124.2 Ų | 124.2 | 64% | 0.636 | 77% | 0.774 | S | S | * | * | | | trans | -77.2 | 161.1 | 174.6 | 0 | 0 | 0 | 0 | 0 | 114 | | |
| 107 | T | 41.6 | Very low | 44.3 | Very low | 127 Ų | 127 | 124 Ų | 124 | 78% | 0.779 | 78% | 0.778 | S | S | * | * | | | | 176.7 | 136 | 109.5 | 38.2 | 0 | 0 | 0 | 0 | 116.2 | | |
| 108 | T | 41.4 | Very low | 44.6 | Very low | 109 Ų | 109 | 123.2 Ų | 123.2 | 67% | 0.669 | 77% | 0.772 | S | S | * | * | | | trans | 57.6 | 125.2 | 137.6 | 62 | 0 | 0 | 0 | 0 | 124.8 | | |
| 109 | T | 42.1 | Very low | 45 | Very low | 129 Ų | 129 | 124.4 Ų | 124.4 | 79% | 0.791 | 78% | 0.777 | S | S | * | * | | | trans | 65.4 | 153.9 | 132.9 | 62.2 | 0 | 0 | 0 | 0 | 119.7 | | |
| 110 | T | 46.6 | Very low | 44.8 | Very low | 122 Ų | 122 | 126.1 Ų | 126.1 | 75% | 0.748 | 78% | 0.778 | S | S | * | * | | | cis | -143.4 | 167.8 | 12.4 | 36.9 | 0 | 0 | 0 | 0 | 112.3 | | |
| 111 | D | 40.9 | Very low | 44.8 | Very low | 143 Ų | 143 | 130.5 Ų | 130.5 | 77% | 0.765 | 79% | 0.785 | S | S | * | * | | | trans | -29.8 | 149 | 166.3 | -52.3 | -69.4 | 0 | 0 | 0 | 120.4 | | |
| 112 | S | 44.3 | Very low | 44.9 | Very low | 128 Ų | 128 | 127.2 Ų | 127.2 | 90% | 0.895 | 78% | 0.775 | S | S | * | * | | | | -169.6 | 145.3 | 119.1 | -81.9 | 0 | 0 | 0 | 0 | 112.2 | | |
| 113 | A | 44.4 | Very low | 45.3 | Very low | 103 Ų | 103 | 125.3 Ų | 125.3 | 85% | 0.851 | 78% | 0.775 | S | S | * | * | | | trans | -94 | 153.7 | -169.1 | 0 | 0 | 0 | 0 | 0 | 114.8 | | |
| 114 | S | 45 | Very low | 44.8 | Very low | 113 Ų | 113 | 131.1 Ų | 131.1 | 79% | 0.79 | 79% | 0.791 | S | S | * | * | | | trans | -163.8 | 128.1 | 131.9 | -166.8 | 0 | 0 | 0 | 0 | 114.4 | | |
| 115 | S | 46.9 | Very low | 45.3 | Very low | 107 Ų | 107 | 131.7 Ų | 131.7 | 75% | 0.748 | 79% | 0.791 | S | S | * | * | | | trans | 6.9 | 156.3 | 155.8 | 66.8 | 0 | 0 | 0 | 0 | 125.7 | | |
| 116 | A | 46.5 | Very low | 45.3 | Very low | 101 Ų | 101 | 135.8 Ų | 135.8 | 84% | 0.835 | 80% | 0.796 | S | S | * | * | | | trans | 94.9 | 109.5 | 147 | 0 | 0 | 0 | 0 | 0 | 119.5 | | |
| 117 | T | 54.4 | Low | 45.6 | Very low | 144 Ų | 144 | 141.6 Ų | 141.6 | 88% | 0.883 | 80% | 0.801 | S | S | * | * | | | trans | -81.9 | 166.7 | 179.5 | 23.7 | 0 | 0 | 0 | 0 | 114.2 | | |
| 118 | P | 51.9 | Low | 45.9 | Very low | 108 Ų | 108 | 142 Ų | 142 | 70% | 0.701 | 80% | 0.804 | S | S | * | * | | | trans | -104.2 | 173.6 | -156.9 | 40.7 | -37.8 | 0 | 0 | 0 | 115.1 | | |
| 119 | L | 52.6 | Low | 46 | Very low | 176 Ų | 176 | 142.8 Ų | 142.8 | 92% | 0.921 | 80% | 0.804 | S | S | * | * | | | trans | -123 | 131.5 | 157.8 | -74.5 | 176.6 | 0 | 0 | 0 | 111.8 | | |
| 120 | N | 42.6 | Very low | 46.1 | Very low | 149 Ų | 149 | 142.3 Ų | 142.3 | 80% | 0.797 | 81% | 0.806 | S | S | * | * | | | trans | -69.8 | 144.7 | 172.7 | -101.3 | -98 | 0 | 0 | 0 | 110.9 | | |
| 121 | L | 41.8 | Very low | 45.9 | Very low | 157 Ų | 157 | 142.3 Ų | 142.3 | 82% | 0.822 | 81% | 0.806 | S | S | * | * | | | | -170.1 | 149.1 | 122.7 | -125.9 | 77 | 0 | 0 | 0 | 112.9 | | |
| 122 | S | 44.3 | Very low | 46 | Very low | 102 Ų | 102 | 141.2 Ų | 141.2 | 71% | 0.713 | 81% | 0.807 | S | S | * | * | | | trans | 93.2 | 149.5 | 153.9 | -49.8 | 0 | 0 | 0 | 0 | 121.1 | | |
| 123 | V | 45.7 | Very low | 45.9 | Very low | 126 Ų | 126 | 143.4 Ų | 143.4 | 76% | 0.764 | 80% | 0.802 | S | S | * | * | | | trans | 75.7 | 71.5 | 160.5 | -153.4 | 0 | 0 | 0 | 0 | 119.4 | K125 | V123-K125 PolarHBondContact O-N 3.43Š|
| 124 | K | 44.4 | Very low | 45.8 | Very low | 209 Ų | 209 | 144.3 Ų | 144.3 | 91% | 0.909 | 80% | 0.798 | S | S | * | * | | | | 28.9 | 90 | 107.8 | -157.8 | 168.6 | -165.4 | 166.3 | 0 | 116.5 | | |
| 125 | K | 52.1 | Low | 45.5 | Very low | 176 Ų | 176 | 145.5 Ų | 145.5 | 77% | 0.765 | 80% | 0.8 | S | S | * | * | | | trans | -133.8 | 118.8 | 163.2 | -162 | 162.5 | -173.9 | 170.9 | 0 | 111.7 | V123 | V123-K125 PolarHBondContact O-N 3.43Š|
| 126 | R | 41.6 | Very low | 45.6 | Very low | 245 Ų | 245 | 150 Ų | 150 | 93% | 0.925 | 81% | 0.806 | S | S | * | * | | | trans | -68.4 | 129.3 | 165.1 | -61.1 | 173.8 | -174.2 | 145.5 | -0.9 | 107.4 | | |
| 127 | R | 46.4 | Very low | 45.5 | Very low | 199 Ų | 199 | 153.1 Ų | 153.1 | 75% | 0.751 | 81% | 0.809 | S | S | * | * | | | trans | -126.7 | 113.6 | 158 | -104.6 | -176.4 | 169.5 | 152 | -5.3 | 108.7 | | |
| 128 | T | 47.7 | Very low | 45 | Very low | 136 Ų | 136 | 158.2 Ų | 158.2 | 83% | 0.834 | 81% | 0.812 | S | S | * | * | | | trans | -79.9 | 114.3 | 155.8 | 45.1 | 0 | 0 | 0 | 0 | 106.6 | | |
| 129 | D | 44.8 | Very low | 44.2 | Very low | 126 Ų | 126 | 158.5 Ų | 158.5 | 67% | 0.674 | 82% | 0.815 | S | S | * | * | | | trans | -122.3 | 110.9 | 164.5 | -78.3 | -55.8 | 0 | 0 | 0 | 107.8 | | |
| 130 | S | 43.6 | Very low | 43.7 | Very low | 118 Ų | 118 | 157.3 Ų | 157.3 | 83% | 0.825 | 81% | 0.809 | S | S | * | * | | | trans | -96.2 | 112.3 | 174.9 | 51.9 | 0 | 0 | 0 | 0 | 108.7 | | |
| 131 | T | 43.2 | Very low | 43.5 | Very low | 123 Ų | 123 | 158.1 Ų | 158.1 | 76% | 0.755 | 81% | 0.813 | S | S | * | * | | | trans | -108.6 | 118.7 | 171.3 | -50.1 | 0 | 0 | 0 | 0 | 109 | | |
| 132 | P | 41 | Very low | 43.5 | Very low | 120 Ų | 120 | 159.7 Ų | 159.7 | 78% | 0.779 | 82% | 0.816 | S | S | * | * | | | trans | -80.7 | 128.9 | 174 | 32 | -30.7 | 0 | 0 | 0 | 109.5 | | |
| 133 | Q | 44.2 | Very low | 43.5 | Very low | 173 Ų | 173 | 163.1 Ų | 163.1 | 81% | 0.808 | 82% | 0.82 | S | S | * | * | | | trans | -127 | 104 | 172.2 | -131.7 | 176.2 | 0.4 | 0 | 0 | 112 | | |
| 134 | T | 41.3 | Very low | 43.1 | Very low | 123 Ų | 123 | 168.3 Ų | 168.3 | 76% | 0.755 | 83% | 0.826 | S | S | * | * | | | trans | 49.8 | 110.6 | 141.5 | 58.3 | 0 | 0 | 0 | 0 | 119.2 | | |
| 135 | T | 39.6 | Very low | 43 | Very low | 137 Ų | 137 | 164.5 Ų | 164.5 | 84% | 0.84 | 83% | 0.826 | S | S | * | * | | | trans | -56.1 | 126.9 | 158.3 | 40.7 | 0 | 0 | 0 | 0 | 113.1 | | |
| 136 | K | 47.2 | Very low | 42.5 | Very low | 202 Ų | 202 | 160.6 Ų | 160.6 | 88% | 0.878 | 83% | 0.826 | S | S | * | * | | | trans | -163.7 | 169.7 | 148.4 | -100.8 | 149.2 | -171.4 | -179.2 | 0 | 107.7 | | |
| 137 | D | 44.8 | Very low | 42.4 | Very low | 167 Ų | 167 | 158.9 Ų | 158.9 | 89% | 0.893 | 83% | 0.826 | S | S | * | * | | | trans | 71.8 | 63.2 | -179.8 | -53.8 | -15 | 0 | 0 | 0 | 116.7 | | |
| 138 | R | 44 | Very low | 42.2 | Very low | 250 Ų | 250 | 157.8 Ų | 157.8 | 94% | 0.943 | 83% | 0.829 | S | S | * | * | | | trans | -106.2 | 87.6 | 156.4 | -177 | -167.7 | -171.9 | 174.9 | 4.1 | 109.8 | | |
| 139 | C | 36.1 | Very low | 41.9 | Very low | 114 Ų | 114 | 158 Ų | 158 | 77% | 0.77 | 83% | 0.83 | S | S | * | * | | | trans | -160.1 | 157 | 159.1 | -148.9 | 0 | 0 | 0 | 0 | 112.7 | | |
| 140 | L | 41.9 | Very low | 41.9 | Very low | 152 Ų | 152 | 158.6 Ų | 158.6 | 80% | 0.796 | 84% | 0.838 | S | S | * | * | S | Bend | trans | 65.3 | 73 | 166.4 | -49.8 | -175.7 | 0 | 0 | 0 | 118.6 | | |
| 141 | L | 38.9 | Very low | 41.6 | Very low | 165 Ų | 165 | 156 Ų | 156 | 86% | 0.864 | 83% | 0.83 | S | S | * | * | | | | -166.4 | 104.6 | 101.8 | -124.1 | 79.3 | 0 | 0 | 0 | 110 | | |
| 142 | H | 41.7 | Very low | 41.8 | Very low | 191 Ų | 191 | 161.9 Ų | 161.9 | 88% | 0.884 | 84% | 0.839 | S | S | * | * | | | trans | -120.6 | 115.2 | 161.5 | -93.4 | 47.9 | 0 | 0 | 0 | 107.1 | | |
| 143 | Q | 44.2 | Very low | 42 | Very low | 174 Ų | 174 | 164.7 Ų | 164.7 | 81% | 0.813 | 85% | 0.847 | S | S | * | * | | | trans | -133.5 | 106 | 155.8 | -77.6 | -155.1 | 2.1 | 0 | 0 | 110.7 | | |
| 144 | R | 37.3 | Very low | 41.8 | Very low | 235 Ų | 235 | 159.9 Ų | 159.9 | 89% | 0.887 | 84% | 0.844 | S | S | * | * | | | trans | 57.7 | 95.9 | 139.4 | -65 | 175.7 | 158.1 | 173.8 | -8.1 | 117.8 | | |
| 145 | S | 42.1 | Very low | 42 | Very low | 129 Ų | 129 | 160 Ų | 160 | 90% | 0.902 | 85% | 0.847 | S | S | * | * | | | | -127.7 | 129.4 | 126 | -173.8 | 0 | 0 | 0 | 0 | 107.9 | | |
| 146 | A | 40.7 | Very low | 42.2 | Very low | 93 Ų | 93 | 161.4 Ų | 161.4 | 77% | 0.769 | 85% | 0.846 | S | S | * | * | | | trans | -137.4 | 113 | -179.3 | 0 | 0 | 0 | 0 | 0 | 109.1 | | |
| 147 | F | 39.8 | Very low | 42.1 | Very low | 209 Ų | 209 | 159.4 Ų | 159.4 | 92% | 0.917 | 84% | 0.843 | S | S | * | * | | | trans | -147.7 | 135.6 | 150.5 | -152 | -95.2 | 0 | 0 | 0 | 108.3 | | |
| 148 | E | 41.6 | Very low | 41.9 | Very low | 176 Ų | 176 | 154.2 Ų | 154.2 | 82% | 0.822 | 83% | 0.83 | S | S | * | * | | | trans | -81.6 | 144.1 | -161.9 | -74.8 | 167.2 | 108.8 | 0 | 0 | 114.1 | | |
| 149 | T | 41.6 | Very low | 41.9 | Very low | 140 Ų | 140 | 149.1 Ų | 149.1 | 86% | 0.859 | 83% | 0.826 | S | S | * | * | | | trans | -77.5 | 115.1 | 164.5 | -19.6 | 0 | 0 | 0 | 0 | 109.4 | | |
| 150 | V | 44.6 | Very low | 42.3 | Very low | 140 Ų | 140 | 150 Ų | 150 | 85% | 0.848 | 83% | 0.83 | S | S | * | * | | | trans | -112.9 | 110.9 | 158.1 | -179 | 0 | 0 | 0 | 0 | 107.4 | | |
| 151 | G | 38.7 | Very low | 42.4 | Very low | 63 Ų | 63 | 147.7 Ų | 147.7 | 65% | 0.649 | 83% | 0.834 | S | S | * | * | | | trans | -86.8 | 165.7 | -171.1 | 0 | 0 | 0 | 0 | 0 | 114.1 | | |
| 152 | R | 47.3 | Very low | 42.5 | Very low | 247 Ų | 247 | 145.7 Ų | 145.7 | 93% | 0.932 | 83% | 0.833 | S | S | * | * | | | trans | -159.7 | 111.8 | 153 | -109.9 | 175.5 | -176.7 | -153.3 | 0.2 | 109.8 | | |
| 153 | N | 44 | Very low | 42.4 | Very low | 178 Ų | 178 | 141.9 Ų | 141.9 | 95% | 0.952 | 83% | 0.828 | S | S | * | * | | | trans | -113.1 | 129.2 | 161.3 | -78.3 | -34 | 0 | 0 | 0 | 107.2 | | |
| 154 | G | 40 | Very low | 42.1 | Very low | 73 Ų | 73 | 138.7 Ų | 138.7 | 75% | 0.753 | 83% | 0.832 | S | S | * | * | | | trans | 162.5 | 99.7 | -176.2 | 0 | 0 | 0 | 0 | 0 | 110.3 | | |
| 155 | P | 45.7 | Very low | 42.3 | Very low | 126 Ų | 126 | 134.8 Ų | 134.8 | 82% | 0.818 | 83% | 0.827 | S | S | * | * | | | trans | -92.3 | 140.3 | -165.5 | 34.3 | -33.7 | 0 | 0 | 0 | 113.2 | | |
| 156 | M | 43.2 | Very low | 42.2 | Very low | 166 Ų | 166 | 133.7 Ų | 133.7 | 82% | 0.818 | 82% | 0.82 | S | S | * | * | | | trans | -138.5 | 111.8 | 163.6 | -79.1 | -67.2 | -80 | 0 | 0 | 110.4 | | |
| 157 | I | 45.2 | Very low | 42.1 | Very low | 159 Ų | 159 | 138.5 Ų | 138.5 | 82% | 0.815 | 83% | 0.829 | S | S | * | * | | | trans | 27 | 123.6 | 135 | -58.8 | 163.4 | 0 | 0 | 0 | 117.8 | | |
| 158 | G | 41.2 | Very low | 41.9 | Very low | 59 Ų | 59 | 133.5 Ų | 133.5 | 61% | 0.608 | 83% | 0.826 | S | S | * | * | | | trans | 131.5 | 119.8 | 137.3 | 0 | 0 | 0 | 0 | 0 | 118.5 | | |
| 159 | T | 44.7 | Very low | 41.7 | Very low | 143 Ų | 143 | 133.4 Ų | 133.4 | 88% | 0.877 | 83% | 0.83 | S | S | * | * | | | trans | 62.9 | 122.7 | 150.2 | 61.4 | 0 | 0 | 0 | 0 | 120.8 | | |
| 160 | P | 43.4 | Very low | 41.5 | Very low | 131 Ų | 131 | 132.9 Ų | 132.9 | 85% | 0.851 | 83% | 0.833 | S | S | * | * | | | trans | -102.7 | 136.9 | 160.5 | 36 | -27.2 | 0 | 0 | 0 | 112 | | |
| 161 | A | 43.8 | Very low | 41.4 | Very low | 105 Ų | 105 | 131.8 Ų | 131.8 | 87% | 0.868 | 83% | 0.831 | S | S | * | * | | | trans | -153.1 | 148.9 | 165.6 | 0 | 0 | 0 | 0 | 0 | 111.4 | | |
| 162 | S | 41.3 | Very low | 41.9 | Very low | 123 Ų | 123 | 133.4 Ų | 133.4 | 86% | 0.86 | 84% | 0.838 | S | S | * | * | | | trans | -82.6 | 167 | -169.7 | -55.1 | 0 | 0 | 0 | 0 | 114.8 | | |
| 163 | S | 39.7 | Very low | 42 | Very low | 111 Ų | 111 | 127.5 Ų | 127.5 | 78% | 0.776 | 83% | 0.832 | S | S | * | * | | | trans | 77.8 | 94 | 154.5 | -155.6 | 0 | 0 | 0 | 0 | 117.9 | | |
| 164 | A | 39.2 | Very low | 41.9 | Very low | 107 Ų | 107 | 123.3 Ų | 123.3 | 88% | 0.884 | 82% | 0.816 | S | S | * | * | | | trans | -126.9 | 92.2 | 147.2 | 0 | 0 | 0 | 0 | 0 | 108.2 | | |
| 165 | L | 40.2 | Very low | 42.3 | Very low | 152 Ų | 152 | 125.4 Ų | 125.4 | 80% | 0.796 | 82% | 0.817 | S | S | * | * | | | trans | -64.9 | 153.3 | 163 | -92.3 | 165.4 | 0 | 0 | 0 | 109.8 | | |
| 166 | S | 39.9 | Very low | 42 | Very low | 107 Ų | 107 | 129.2 Ų | 129.2 | 75% | 0.748 | 82% | 0.816 | S | S | * | * | | | trans | 64.2 | 78.6 | 157.8 | -55.8 | 0 | 0 | 0 | 0 | 118.3 | | |
| 167 | M | 37.9 | Very low | 42.3 | Very low | 194 Ų | 194 | 127.8 Ų | 127.8 | 96% | 0.956 | 82% | 0.816 | S | S | * | * | | | trans | -158.2 | 100.1 | 137.9 | -80.9 | -144.7 | 130.7 | 0 | 0 | 111 | | |
| 168 | A | 36.7 | Very low | 42.3 | Very low | 104 Ų | 104 | 128.4 Ų | 128.4 | 86% | 0.86 | 82% | 0.82 | S | S | * | * | | | trans | 163.3 | 61 | 152.5 | 0 | 0 | 0 | 0 | 0 | 112.1 | | |
| 169 | L | 37.8 | Very low | 42.3 | Very low | 174 Ų | 174 | 133.6 Ų | 133.6 | 91% | 0.911 | 83% | 0.834 | S | S | * | * | | | trans | -85.4 | 152.4 | 148.7 | -74.6 | 169.5 | 0 | 0 | 0 | 107.8 | | |
| 170 | S | 37.9 | Very low | 42.3 | Very low | 129 Ų | 129 | 138.3 Ų | 138.3 | 90% | 0.902 | 84% | 0.836 | S | S | * | * | | | trans | 74.5 | 82.1 | 179.5 | -158.7 | 0 | 0 | 0 | 0 | 116.8 | | |
| 171 | S | 41.9 | Very low | 42.3 | Very low | 117 Ų | 117 | 140 Ų | 140 | 82% | 0.818 | 84% | 0.837 | S | S | * | * | | | trans | -158.9 | 98.4 | 143.8 | -174 | 0 | 0 | 0 | 0 | 109.3 | | |
| 172 | A | 48.9 | Very low | 42.4 | Very low | 96 Ų | 96 | 142.4 Ų | 142.4 | 79% | 0.793 | 83% | 0.834 | S | S | * | * | | | trans | -91.6 | 122.7 | 174 | 0 | 0 | 0 | 0 | 0 | 109.6 | S174 | A172-S174 PolarHBondContact O-N 2.91Š|
| 173 | P | 49.6 | Very low | 42.5 | Very low | 123 Ų | 123 | 142.1 Ų | 142.1 | 80% | 0.799 | 83% | 0.83 | S | S | * | * | | | trans | -79.4 | 113.7 | 170.4 | 30.2 | -30.2 | 0 | 0 | 0 | 109.9 | | |
| 174 | S | 42.2 | Very low | 42.4 | Very low | 90 Ų | 90 | 146.4 Ų | 146.4 | 63% | 0.629 | 84% | 0.835 | S | S | * | * | | | trans | -61.4 | 134.1 | 177.6 | -179.9 | 0 | 0 | 0 | 0 | 112.3 | A172 Y176 | A172-S174 PolarHBondContact O-N 2.91Å; S174-Y176 PolarHBondContact O-N 2.9Å |
| 175 | P | 47.5 | Very low | 42.4 | Very low | 117 Ų | 117 | 146.3 Ų | 146.3 | 76% | 0.76 | 83% | 0.827 | S | S | * | * | S | Bend | trans | -85.9 | 70.9 | -174.1 | 35.7 | -36.6 | 0 | 0 | 0 | 112.7 | | |
| 176 | Y | 40.7 | Very low | 42.3 | Very low | 207 Ų | 207 | 148.3 Ų | 148.3 | 81% | 0.812 | 83% | 0.83 | S | S | * | * | | | trans | -137.3 | 45.5 | 179.8 | -86.5 | -75.2 | 0 | 0 | 0 | 115.1 | S174 | S174-Y176 PolarHBondContact O-N 2.9Š|
| 177 | V | 47.9 | Very low | 42.1 | Very low | 135 Ų | 135 | 152 Ų | 152 | 82% | 0.818 | 84% | 0.841 | S | S | * | * | | | trans | -141.1 | 40.9 | 174.1 | -149.8 | 0 | 0 | 0 | 0 | 115.3 | | |
| 178 | L | 46.9 | Very low | 42.2 | Very low | 172 Ų | 172 | 147.9 Ų | 147.9 | 90% | 0.901 | 83% | 0.831 | S | S | * | * | | | trans | -138.1 | 65.6 | 167.9 | -78.6 | -179.4 | 0 | 0 | 0 | 112.5 | | |
| 179 | N | 40.6 | Very low | 42.3 | Very low | 168 Ų | 168 | 149.4 Ų | 149.4 | 90% | 0.898 | 83% | 0.83 | S | S | * | * | | | trans | -144.6 | 68.8 | 167.6 | -116.1 | -14.8 | 0 | 0 | 0 | 111.8 | | |
| 180 | R | 45.1 | Very low | 42.3 | Very low | 242 Ų | 242 | 145.4 Ų | 145.4 | 91% | 0.913 | 82% | 0.822 | S | S | * | * | | | trans | -148.9 | 84.3 | 165.4 | -83.9 | -157.4 | 173.1 | -136.4 | -1.4 | 110.7 | | |
| 181 | L | 42.2 | Very low | 42.6 | Very low | 168 Ų | 168 | 145.2 Ų | 145.2 | 88% | 0.88 | 82% | 0.817 | S | S | * | * | S | Bend | trans | 177.9 | 89.1 | 150.2 | -98.8 | 150.9 | 0 | 0 | 0 | 109.7 | | |
| 182 | L | 46.1 | Very low | 42.7 | Very low | 154 Ų | 154 | 145.4 Ų | 145.4 | 81% | 0.806 | 82% | 0.816 | S | S | * | * | | | trans | 159.9 | 131.1 | 137.4 | -84.7 | 170.9 | 0 | 0 | 0 | 109.6 | | |
| 183 | P | 43.7 | Very low | 42.4 | Very low | 118 Ų | 118 | 147.7 Ų | 147.7 | 77% | 0.766 | 82% | 0.824 | S | S | * | * | | | trans | -88.4 | 137.2 | -174.6 | 34 | -33.2 | 0 | 0 | 0 | 112.6 | | |
| 184 | F | 38.2 | Very low | 42 | Very low | 201 Ų | 201 | 145.7 Ų | 145.7 | 88% | 0.882 | 83% | 0.826 | S | S | * | * | | | trans | -117.1 | 141.2 | 162.3 | -80 | -83.9 | 0 | 0 | 0 | 109.3 | | |
| 185 | S | 39 | Very low | 41.8 | Very low | 104 Ų | 104 | 145 Ų | 145 | 73% | 0.727 | 83% | 0.834 | S | S | * | * | | | trans | -154.8 | 152.9 | 170.5 | -67.6 | 0 | 0 | 0 | 0 | 110.3 | | |
| 186 | F | 37.9 | Very low | 41.7 | Very low | 194 Ų | 194 | 144.8 Ų | 144.8 | 85% | 0.851 | 83% | 0.832 | S | S | * | * | | | trans | 75.2 | 87.1 | 177.9 | -62.7 | -79.7 | 0 | 0 | 0 | 118.1 | | |
| 187 | L | 35.9 | Very low | 42 | Very low | 186 Ų | 186 | 142.8 Ų | 142.8 | 97% | 0.974 | 84% | 0.835 | S | S | * | * | | | trans | -122.1 | 133.6 | 130.1 | -126.6 | 77 | 0 | 0 | 0 | 107.1 | | |
| 188 | S | 40.4 | Very low | 41.4 | Very low | 107 Ų | 107 | 143.4 Ų | 143.4 | 75% | 0.748 | 83% | 0.834 | S | S | * | * | | | trans | -131.7 | 113.5 | 175.3 | -170.4 | 0 | 0 | 0 | 0 | 110.4 | | |
| 189 | T | 37.9 | Very low | 41.4 | Very low | 136 Ų | 136 | 143.1 Ų | 143.1 | 83% | 0.834 | 83% | 0.832 | S | S | * | * | | | trans | 19.8 | 121.2 | 148.4 | -48 | 0 | 0 | 0 | 0 | 119.5 | | |
| 190 | A | 39 | Very low | 41.4 | Very low | 90 Ų | 90 | 142.1 Ų | 142.1 | 74% | 0.744 | 83% | 0.826 | S | S | * | * | P | Polyproline II helix | trans | -97.6 | 156.5 | 161.6 | 0 | 0 | 0 | 0 | 0 | 111.7 | | |
| 191 | P | 44.2 | Very low | 40.9 | Very low | 124 Ų | 124 | 139 Ų | 139 | 81% | 0.805 | 83% | 0.825 | S | S | * | * | P | Polyproline II helix | trans | -103.7 | 149.7 | 163.6 | 36.1 | -28.9 | 0 | 0 | 0 | 112.6 | | |
| 192 | P | 43.3 | Very low | 40.9 | Very low | 122 Ų | 122 | 142.8 Ų | 142.8 | 79% | 0.792 | 83% | 0.827 | S | S | * | * | P | Polyproline II helix | trans | -103.4 | 157.7 | -178.3 | 39.1 | -34.2 | 0 | 0 | 0 | 114.2 | | |
| 193 | C | 42.9 | Very low | 40.7 | Very low | 143 Ų | 143 | 142 Ų | 142 | 97% | 0.966 | 83% | 0.828 | S | S | * | * | | | trans | 162.4 | 141.4 | 155 | -93 | 0 | 0 | 0 | 0 | 107.5 | | |
| 194 | G | 39.6 | Very low | 40.7 | Very low | 81 Ų | 81 | 142.1 Ų | 142.1 | 84% | 0.835 | 83% | 0.829 | S | S | * | * | | | cis | 157.2 | 141.5 | -5.5 | 0 | 0 | 0 | 0 | 0 | 110.1 | | |
| 195 | G | 38.8 | Very low | 40.7 | Very low | 77 Ų | 77 | 139.9 Ų | 139.9 | 79% | 0.794 | 83% | 0.827 | S | S | * | * | | | trans | 119.5 | 147.1 | 163.1 | 0 | 0 | 0 | 0 | 0 | 116.9 | | |
| 196 | P | 45.9 | Very low | 40.9 | Very low | 112 Ų | 112 | 142.5 Ų | 142.5 | 73% | 0.727 | 83% | 0.832 | S | S | * | * | | | trans | -115.1 | 174 | -161.9 | 42.3 | -31.3 | 0 | 0 | 0 | 114.3 | | |
| 197 | N | 46.5 | Very low | 40.8 | Very low | 165 Ų | 165 | 142.1 Ų | 142.1 | 88% | 0.882 | 83% | 0.833 | S | S | * | * | | | trans | -161.5 | 121 | 144.6 | -89.6 | -46.4 | 0 | 0 | 0 | 110.1 | | |
| 198 | D | 35.2 | Very low | 40.9 | Very low | 148 Ų | 148 | 144 Ų | 144 | 79% | 0.791 | 83% | 0.827 | S | S | * | * | | | trans | -66.9 | 151.8 | 162.9 | -59.6 | -86.7 | 0 | 0 | 0 | 110.9 | | |
| 199 | I | 47.4 | Very low | 41 | Very low | 165 Ų | 165 | 144 Ų | 144 | 85% | 0.846 | 83% | 0.825 | S | S | * | * | | | trans | -158.4 | 133.8 | 145.8 | -97.6 | 141.5 | 0 | 0 | 0 | 110.2 | | |
| 200 | D | 40.3 | Very low | 40.9 | Very low | 147 Ų | 147 | 142.3 Ų | 142.3 | 79% | 0.786 | 82% | 0.818 | S | S | * | * | | | trans | -25.4 | 133.5 | -175.5 | -69.8 | -60.3 | 0 | 0 | 0 | 122.9 | | |
| 201 | M | 35.3 | Very low | 41 | Very low | 178 Ų | 178 | 142 Ų | 142 | 88% | 0.877 | 81% | 0.81 | S | S | * | * | | | trans | -14.9 | 119.4 | 133.4 | -71.5 | -79.4 | -129.2 | 0 | 0 | 117 | | |
| 202 | R | 42 | Very low | 40.8 | Very low | 246 Ų | 246 | 144 Ų | 144 | 93% | 0.928 | 81% | 0.809 | S | S | * | * | | | trans | -164.3 | 108.7 | 138 | -109.1 | 166.5 | -165.9 | -165.7 | 4.6 | 111.6 | | |
| 203 | T | 41.8 | Very low | 40.5 | Very low | 137 Ų | 137 | 145.9 Ų | 145.9 | 84% | 0.84 | 81% | 0.813 | S | S | * | * | | | trans | -74.3 | 154.1 | 160.2 | 44.7 | 0 | 0 | 0 | 0 | 110 | | |
| 204 | P | 44.3 | Very low | 40.3 | Very low | 121 Ų | 121 | 147.1 Ų | 147.1 | 79% | 0.786 | 81% | 0.806 | S | S | * | * | | | | -138.4 | 152 | 109.6 | 34.9 | -22.4 | 0 | 0 | 0 | 114.7 | | |
| 205 | N | 37.3 | Very low | 40.4 | Very low | 155 Ų | 155 | 151.3 Ų | 151.3 | 83% | 0.829 | 81% | 0.808 | S | S | * | * | | | trans | -11.9 | 131.1 | 166 | -63.3 | -34.5 | 0 | 0 | 0 | 118.5 | | |
| 206 | D | 42.7 | Very low | 40.4 | Very low | 158 Ų | 158 | 156.3 Ų | 156.3 | 85% | 0.845 | 82% | 0.816 | S | S | * | * | | | trans | -145.3 | 155.3 | 133.4 | -119.8 | -35.1 | 0 | 0 | 0 | 111.9 | | |
| 207 | H | 36.7 | Very low | 39.9 | Very low | 187 Ų | 187 | 154.5 Ų | 154.5 | 87% | 0.866 | 82% | 0.818 | S | S | * | * | | | trans | -67 | 133.8 | -161.2 | -64.6 | -24.5 | 0 | 0 | 0 | 115.4 | | |
| 208 | R | 37.5 | Very low | 39.6 | Very low | 226 Ų | 226 | 152.7 Ų | 152.7 | 85% | 0.853 | 82% | 0.818 | S | S | * | * | | | trans | -134.7 | 122.1 | 162.6 | -172.6 | 176 | 176.5 | -175.8 | -1.4 | 110.6 | | |
| 209 | P | 43.4 | Very low | 40.1 | Very low | 107 Ų | 107 | 156.3 Ų | 156.3 | 70% | 0.695 | 82% | 0.822 | S | S | * | * | | | trans | -70.7 | 149.8 | 178.2 | 29.6 | -34.4 | 0 | 0 | 0 | 111.3 | S211 | P209-S211 PolarHBondContact O-N 3.47Š|
| 210 | S | 34.6 | Very low | 40 | Very low | 99 Ų | 99 | 158 Ų | 158 | 69% | 0.692 | 82% | 0.824 | S | S | * | * | | | trans | -57.6 | 135.3 | 175.5 | -176.6 | 0 | 0 | 0 | 0 | 111.1 | Q212 | S210-Q212 PolarHBondContact OG-N 2.97Š|
| 211 | S | 42.1 | Very low | 40.1 | Very low | 83 Ų | 83 | 154.7 Ų | 154.7 | 58% | 0.58 | 83% | 0.825 | S | S | * | * | | | trans | -129.5 | 43.9 | 166.3 | -60.9 | 0 | 0 | 0 | 0 | 110.6 | P209 D213 | P209-S211 PolarHBondContact O-N 3.47Å; S211-D213 VanDerWaalsContact C-N 3.25Å; S211-D213 PolarHBondContact O-N 2.76Å |
| 212 | Q | 38.8 | Very low | 40.4 | Very low | 168 Ų | 168 | 153 Ų | 153 | 79% | 0.785 | 82% | 0.823 | S | S | * | * | | | trans | -73.7 | 89.2 | 148.5 | -77.4 | 179.1 | -35.2 | 0 | 0 | 107.2 | S210 | S210-Q212 PolarHBondContact OG-N 2.97Š|
| 213 | D | 37.1 | Very low | 40.2 | Very low | 161 Ų | 161 | 145.9 Ų | 145.9 | 86% | 0.861 | 81% | 0.812 | S | S | * | * | | | trans | 168 | 51.3 | 156.5 | -86.2 | -16.7 | 0 | 0 | 0 | 111.2 | S211 | S211-D213 VanDerWaalsContact C-N 3.25Å; S211-D213 PolarHBondContact O-N 2.76Å |
| 214 | M | 38.9 | Very low | 40.3 | Very low | 168 Ų | 168 | 145.7 Ų | 145.7 | 83% | 0.828 | 81% | 0.813 | S | S | * | * | | | trans | -132.2 | 35.9 | 171 | -74.4 | -153.1 | -61.3 | 0 | 0 | 112.8 | | |
| 215 | L | 41.8 | Very low | 40.8 | Very low | 169 Ų | 169 | 145.1 Ų | 145.1 | 89% | 0.885 | 81% | 0.807 | S | S | * | * | S | Bend | trans | -126.8 | 16.6 | -175.7 | -116.3 | 158.5 | 0 | 0 | 0 | 114.5 | | |
| 216 | L | 39.3 | Very low | 41 | Very low | 182 Ų | 182 | 142.1 Ų | 142.1 | 95% | 0.953 | 81% | 0.813 | S | S | * | * | S | Bend | trans | -160.9 | 79.7 | 171.3 | -144.5 | 70.8 | 0 | 0 | 0 | 112.3 | | |
| 217 | G | 34.8 | Very low | 41.4 | Very low | 75 Ų | 75 | 143.3 Ų | 143.3 | 77% | 0.773 | 81% | 0.811 | S | S | * | * | | | trans | -167.5 | -24.1 | -178.1 | 0 | 0 | 0 | 0 | 0 | 120.6 | Y219 | G217-Y219 PolarHBondContact O-N 3.3Š|
| 218 | S | 40 | Very low | 41.7 | Very low | 126 Ų | 126 | 144 Ų | 144 | 88% | 0.881 | 81% | 0.814 | S | S | * | * | | | trans | -87.1 | 3.9 | -170.3 | -59.5 | 0 | 0 | 0 | 0 | 116.5 | F220 | S218-F220 PolarHBondContact O-N 3.29Š|
| 219 | Y | 45.1 | Very low | 42.3 | Very low | 225 Ų | 225 | 140.1 Ų | 140.1 | 88% | 0.882 | 81% | 0.805 | S | S | * | * | S | Bend | trans | -92.1 | 63.4 | 174 | -85.4 | -86.2 | 0 | 0 | 0 | 112.1 | G217 | G217-Y219 PolarHBondContact O-N 3.3Š|
| 220 | F | 47.3 | Very low | 42.8 | Very low | 201 Ų | 201 | 145.5 Ų | 145.5 | 88% | 0.882 | 81% | 0.812 | S | S | * | * | | | trans | -174.9 | 80 | 152.3 | -96.2 | -61.3 | 0 | 0 | 0 | 110.3 | S218 V222 | S218-F220 PolarHBondContact O-N 3.29Å; F220-V222 PolarHBondContact O-N 3.49Å |
| 221 | G | 40.5 | Very low | 43.9 | Very low | 77 Ų | 77 | 146.7 Ų | 146.7 | 79% | 0.794 | 82% | 0.817 | S | S | * | * | | | trans | -71.5 | 91.9 | 177.7 | 0 | 0 | 0 | 0 | 0 | 113.1 | S223 | G221-S223 PolarHBondContact O-N 3.04Å; G221-S223 VanDerWaalsContact O-N 3.15Å |
| 222 | V | 42.2 | Very low | 44.7 | Very low | 141 Ų | 141 | 149.9 Ų | 149.9 | 86% | 0.855 | 82% | 0.821 | S | S | * | * | | | trans | -65.7 | 105 | 166.9 | -85.2 | 0 | 0 | 0 | 0 | 110.6 | F220 | F220-V222 PolarHBondContact O-N 3.49Š|
| 223 | S | 38 | Very low | 45.9 | Very low | 98 Ų | 98 | 148.9 Ų | 148.9 | 69% | 0.685 | 81% | 0.814 | S | S | * | * | | | trans | -86.3 | 125 | 169.7 | -71.3 | 0 | 0 | 0 | 0 | 110.6 | G221 T225 | G221-S223 PolarHBondContact O-N 3.04Å; G221-S223 VanDerWaalsContact O-N 3.15Å; S223-T225 VanDerWaalsContact C-N 3.29Å; S223-T225 PolarHBondContact O-N 3.16Å |
| 224 | P | 44.5 | Very low | 47.2 | Very low | 132 Ų | 132 | 145.3 Ų | 145.3 | 86% | 0.857 | 81% | 0.807 | S | S | * | * | | | trans | -80.8 | 73.5 | -179.6 | 33.8 | -35.4 | 0 | 0 | 0 | 110.9 | | |
| 225 | T | 53.8 | Low | 48.6 | Very low | 110 Ų | 110 | 144 Ų | 144 | 68% | 0.675 | 79% | 0.794 | S | S | * | * | | | trans | -130.5 | 111.8 | 168.3 | 60.2 | 0 | 0 | 0 | 0 | 109.7 | S223 K227 | S223-T225 VanDerWaalsContact C-N 3.29Å; S223-T225 PolarHBondContact O-N 3.16Å; T225-K227 VanDerWaalsContact C-N 3.32Å; T225-K227 PolarHBondContact O-N 3.32Å |
| 226 | G | 41.7 | Very low | 49.9 | Very low | 92 Ų | 92 | 139.4 Ų | 139.4 | 95% | 0.948 | 77% | 0.77 | S | S | * | * | | | trans | -65.6 | 77.6 | -170.4 | 0 | 0 | 0 | 0 | 0 | 115 | | |
| 227 | K | 51.3 | Low | 51.3 | Low | 182 Ų | 182 | 135.3 Ų | 135.3 | 79% | 0.791 | 75% | 0.754 | S | S | * | * | S | Bend | trans | -129.7 | 127 | 161.9 | -64.5 | -175.3 | -179.6 | -177.6 | 0 | 106.7 | T225 Q229 | T225-K227 VanDerWaalsContact C-N 3.32Å; T225-K227 PolarHBondContact O-N 3.32Å; K227-Q229 PolarHBondContact O-N 2.81Å |
| 228 | H | 43.2 | Very low | 53.2 | Low | 203 Ų | 203 | 138.9 Ų | 138.9 | 94% | 0.94 | 75% | 0.753 | S | S | * | * | | | trans | -60.6 | 96.5 | -178.9 | -74.6 | -80.4 | 0 | 0 | 0 | 110.9 | R230 | H228-R230 PolarHBondContact O-N 3.36Š|
| 229 | Q | 49.4 | Very low | 54.6 | Low | 144 Ų | 144 | 134.7 Ų | 134.7 | 67% | 0.673 | 72% | 0.72 | S | S | * | * | | | trans | -66.6 | 111.7 | 170.7 | -165.9 | 75.8 | 31.2 | 0 | 0 | 107 | K227 F232 | K227-Q229 PolarHBondContact O-N 2.81Å; Q229-F232 HydrophobicContact CG-CE2 4.19Å; Q229-F232 VanDerWaalsContact NE2-CZ 3.3Å |
| 230 | R | 53.9 | Low | 55.6 | Low | 219 Ų | 219 | 126 Ų | 126 | 83% | 0.826 | 69% | 0.692 | S | S | * | * | P | Polyproline II helix | trans | -54 | 134.7 | 167.7 | -85.7 | -175.4 | 171.1 | -130.7 | -0.6 | 107.9 | H228 F232 | H228-R230 PolarHBondContact O-N 3.36Å; R230-F232 PolarHBondContact O-N 3.2Å; R230-F232 VanDerWaalsContact O-N 3.12Å |
| 231 | P | 59.2 | Low | 56.4 | Low | 125 Ų | 125 | 120.4 Ų | 120.4 | 81% | 0.812 | 67% | 0.669 | S | S | * | * | P | Polyproline II helix | trans | -59.1 | 122 | 176.6 | 24.4 | -32.9 | 0 | 0 | 0 | 108.7 | K233 | P231-K233 PolarHBondContact O-N 3.34Š|
| 232 | F | 57.8 | Low | 57.6 | Low | 149 Ų | 149 | 117.3 Ų | 117.3 | 65% | 0.654 | 64% | 0.635 | S | S | * | * | P | Polyproline II helix | trans | -61 | 129.8 | 173.8 | -73.6 | -80.6 | 0 | 0 | 0 | 108.5 | Q229 R230 A234 | Q229-F232 HydrophobicContact CG-CE2 4.19Å; Q229-F232 VanDerWaalsContact NE2-CZ 3.3Å; R230-F232 PolarHBondContact O-N 3.2Å; R230-F232 VanDerWaalsContact O-N 3.12Å; F232-A234 PolarHBondContact O-N 3.23Å |
| 233 | K | 63.3 | Low | 58.5 | Low | 147 Ų | 147 | 113 Ų | 113 | 64% | 0.639 | 62% | 0.615 | S | S | * | * | P | Polyproline II helix | trans | -62 | 120.4 | 171.3 | -160.4 | 79.7 | 173 | -176 | 0 | 106.7 | P231 Y235 I246 | P231-K233 PolarHBondContact O-N 3.34Å; K233-Y235 PolarHBondContact O-N 2.89Å; K233-I246 WeakPolarHBondContact O-CG1 3.36Å |
| 234 | A | 66 | Low | 59.3 | Low | 86 Ų | 86 | 113.6 Ų | 113.6 | 71% | 0.711 | 61% | 0.61 | S | S | * | * | P | Polyproline II helix | trans | -61.7 | 137.2 | -179.4 | 0 | 0 | 0 | 0 | 0 | 110.3 | F232 N236 | F232-A234 PolarHBondContact O-N 3.23Å; A234-N236 PolarHBondContact O-N 2.93Å |
| 235 | Y | 67.6 | Low | 59.9 | Low | 140 Ų | 140 | 112.7 Ų | 112.7 | 55% | 0.549 | 59% | 0.594 | S | S | . | * | P | Polyproline II helix | trans | -62.3 | 120.4 | 172.6 | 168.7 | -109.2 | 0 | 0 | 0 | 109.4 | K233 P237 A243 | K233-Y235 PolarHBondContact O-N 2.89Å; Y235-P237 HydrophobicContact CE1-CB 3.87Å; Y235-P237 WeakPolarHBondContact O-CD 3.39Å; Y235-A243 HydrophobicContact CD2-CB 4.07Å; Y235-A243 HydrophobicContact CE2-CB 4Å |
| 236 | N | 70 | Confident | 60 | Low | 74 Ų | 74 | 110.6 Ų | 110.6 | 40% | 0.396 | 58% | 0.578 | S | S | . | * | | | trans | -94.4 | 111.6 | 171 | -178.8 | 4.6 | 0 | 0 | 0 | 108.8 | A234 M238 D239 | A234-N236 PolarHBondContact O-N 2.93Å; N236-M238 PolarHBondContact O-N 3.42Å; N236-M238 VanDerWaalsContact O-N 3.11Å; N236-M238 WeakPolarHBondContact OD1-CB 3.37Å; N236-M238 PolarHBondContact OD1-N 2.89Å; N236-D239 CarbonylContact O-C 3.6Å; N236-D239 PolarHBondContact O-N 3.16Å; N236-D239 VanDerWaalsContact O-O 3.11Å |
| 237 | P | 67.5 | Low | 60.4 | Low | 95 Ų | 95 | 109.7 Ų | 109.7 | 62% | 0.617 | 56% | 0.557 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -64.2 | -15.4 | 178.8 | 26.9 | -34.8 | 0 | 0 | 0 | 113.5 | Y235 | Y235-P237 HydrophobicContact CE1-CB 3.87Å; Y235-P237 WeakPolarHBondContact O-CD 3.39Å |
| 238 | M | 75.2 | Confident | 60.1 | Low | 151 Ų | 151 | 104.9 Ų | 104.9 | 74% | 0.744 | 56% | 0.559 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -88.1 | -8 | 175.5 | -60.8 | -57.6 | -61.9 | 0 | 0 | 114 | N236 | N236-M238 PolarHBondContact O-N 3.42Å; N236-M238 VanDerWaalsContact O-N 3.11Å; N236-M238 WeakPolarHBondContact OD1-CB 3.37Å; N236-M238 PolarHBondContact OD1-N 2.89Å |
| 239 | D | 69.6 | Low | 60.3 | Low | 37 Ų | 37 | 101 Ų | 101 | 20% | 0.198 | 55% | 0.545 | C | S | . | . | | | trans | -127 | 106.4 | 172.2 | 169.9 | 41.7 | 0 | 0 | 0 | 111.3 | N236 M241 S242 R291 | N236-D239 CarbonylContact O-C 3.6Å; N236-D239 PolarHBondContact O-N 3.16Å; N236-D239 VanDerWaalsContact O-O 3.11Å; D239-M241 PolarHBondContact O-N 2.96Å; D239-M241 VanDerWaalsContact O-N 3.12Å; D239-M241 PolarHBondContact OD1-N 2.9Å; D239-M241 VanDerWaalsContact OD1-N 3.09Å; D239-S242 VanDerWaalsContact O-CB 3.26Å; D239-S242 WeakPolarHBondContact O-CB 3.48Å; D239-S242 PolarHBondContact O-N 3.4Å; D239-S242 PolarHBondContact OD2-N 2.94Å; D239-S242 PolarHBondContact OD2-OG 2.94Å; D239-R291 IonicContact OD1-NH2 3.13Å; D239-R291 PolarHBondContact OD1-NH2 2.89Å; D239-R291 VanDerWaalsContact OD1-NH2 3.13Å |
| 240 | P | 65.1 | Low | 59.9 | Low | 44 Ų | 44 | 101.5 Ų | 101.5 | 29% | 0.286 | 55% | 0.552 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -65.5 | -16.1 | -179.6 | 26 | -34.5 | 0 | 0 | 0 | 114.1 | S242 L287 | P240-S242 VanDerWaalsContact C-N 3.33Å; P240-L287 HydrophobicContact CB-CD1 3.71Å; P240-L287 HydrophobicContact CB-CD2 4.15Å; P240-L287 HydrophobicContact CB-CG 4.42Å; P240-L287 HydrophobicContact CG-CD1 3.67Å; P240-L287 HydrophobicContact CG-CD2 3.97Å; P240-L287 HydrophobicContact CG-CG 4.06Å |
| 241 | M | 64.6 | Low | 59.2 | Low | 82 Ų | 82 | 97 Ų | 97 | 40% | 0.404 | 54% | 0.544 | S | S | . | . | H | α-helix | trans | -76.5 | -19.6 | 171.1 | -67.2 | -156.7 | -24.7 | 0 | 0 | 113.4 | D239 A243 L244 Q245 | D239-M241 PolarHBondContact O-N 2.96Å; D239-M241 VanDerWaalsContact O-N 3.12Å; D239-M241 PolarHBondContact OD1-N 2.9Å; D239-M241 VanDerWaalsContact OD1-N 3.09Å; M241-A243 PolarHBondContact O-N 3.15Å; M241-L244 WeakPolarHBondContact O-CA 3.24Å; M241-L244 PolarHBondContact O-N 2.98Å; M241-Q245 WeakPolarHBondContact O-CG 3.23Å; M241-Q245 PolarHBondContact O-N 2.81Å |
| 242 | S | 65.1 | Low | 58.5 | Low | 12 Ų | 12 | 96.5 Ų | 96.5 | 8% | 0.084 | 54% | 0.541 | C | S | . | . | H | α-helix | trans | -61.8 | -29 | 177.9 | -68.9 | 0 | 0 | 0 | 0 | 111.7 | D239 P240 I246 | D239-S242 VanDerWaalsContact O-CB 3.26Å; D239-S242 WeakPolarHBondContact O-CB 3.48Å; D239-S242 PolarHBondContact O-N 3.4Å; D239-S242 PolarHBondContact OD2-N 2.94Å; D239-S242 PolarHBondContact OD2-OG 2.94Å; P240-S242 VanDerWaalsContact C-N 3.33Å; S242-I246 WeakPolarHBondContact O-CD1 3.39Å; S242-I246 VanDerWaalsContact O-CG1 3.28Å; S242-I246 WeakPolarHBondContact O-CG1 3.37Å |
| 243 | A | 60.7 | Low | 57.8 | Low | 52 Ų | 52 | 96 Ų | 96 | 43% | 0.43 | 54% | 0.544 | S | S | . | . | H | α-helix | trans | -65.6 | -40.4 | 169.6 | 0 | 0 | 0 | 0 | 0 | 113.1 | Y235 M241 I246 | Y235-A243 HydrophobicContact CD2-CB 4.07Å; Y235-A243 HydrophobicContact CE2-CB 4Å; M241-A243 PolarHBondContact O-N 3.15Å; A243-I246 PolarHBondContact O-N 2.93Å |
| 244 | L | 56.3 | Low | 56.7 | Low | 110 Ų | 110 | 99 Ų | 99 | 58% | 0.576 | 55% | 0.551 | S | S | * | * | H | α-helix | trans | -75 | -28.6 | 180 | -65.4 | 172.8 | 0 | 0 | 0 | 112.5 | M241 I246 | M241-L244 WeakPolarHBondContact O-CA 3.24Å; M241-L244 PolarHBondContact O-N 2.98Å; L244-I246 VanDerWaalsContact C-N 3.29Å; L244-I246 PolarHBondContact O-N 3.21Å |
| 245 | Q | 57.1 | Low | 55.6 | Low | 113 Ų | 113 | 102 Ų | 102 | 53% | 0.528 | 55% | 0.55 | S | S | . | * | H | α-helix | trans | -72.8 | -15.8 | 174.9 | -71.8 | -178.1 | -19.3 | 0 | 0 | 114 | M241 S247 | M241-Q245 WeakPolarHBondContact O-CG 3.23Å; M241-Q245 PolarHBondContact O-N 2.81Å; Q245-S247 PolarHBondContact O-N 2.97Å |
| 246 | I | 55.6 | Low | 54.1 | Low | 65 Ų | 65 | 98.3 Ų | 98.3 | 33% | 0.333 | 56% | 0.555 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -72.9 | -14.6 | -179.7 | -75.6 | 163.9 | 0 | 0 | 0 | 112.6 | K233 S242 A243 L244 | K233-I246 WeakPolarHBondContact O-CG1 3.36Å; S242-I246 WeakPolarHBondContact O-CD1 3.39Å; S242-I246 VanDerWaalsContact O-CG1 3.28Å; S242-I246 WeakPolarHBondContact O-CG1 3.37Å; A243-I246 PolarHBondContact O-N 2.93Å; L244-I246 VanDerWaalsContact C-N 3.29Å; L244-I246 PolarHBondContact O-N 3.21Å |
| 247 | S | 50.1 | Low | 52.6 | Low | 73 Ų | 73 | 102.2 Ų | 102.2 | 51% | 0.51 | 58% | 0.576 | S | S | . | * | S | Bend | trans | -113.7 | 136.7 | 166.7 | -68.9 | 0 | 0 | 0 | 0 | 110.4 | Q245 L249 | Q245-S247 PolarHBondContact O-N 2.97Å; S247-L249 PolarHBondContact O-N 3.22Å |
| 248 | G | 45.2 | Very low | 51.1 | Low | 81 Ų | 81 | 100.5 Ų | 100.5 | 84% | 0.835 | 58% | 0.575 | S | S | * | * | | | trans | -71.1 | 55 | 177.9 | 0 | 0 | 0 | 0 | 0 | 113.8 | N250 | G248-N250 PolarHBondContact O-N 3.34Š|
| 249 | L | 46.7 | Very low | 49.7 | Very low | 122 Ų | 122 | 99.2 Ų | 99.2 | 64% | 0.639 | 58% | 0.576 | S | S | * | * | | | trans | -77 | 49 | 176.5 | -62 | 178.1 | 0 | 0 | 0 | 111.8 | S247 L251 | S247-L249 PolarHBondContact O-N 3.22Å; L249-L251 HydrophobicContact CB-CD1 4.08Å; L249-L251 HydrophobicContact CD2-CD1 3.85Å; L249-L251 PolarHBondContact O-N 3.11Å |
| 250 | N | 40.8 | Very low | 48.1 | Very low | 155 Ų | 155 | 104.8 Ų | 104.8 | 83% | 0.829 | 61% | 0.606 | S | S | * | * | | | trans | -69.5 | 83.8 | 148.7 | -97.4 | -66.2 | 0 | 0 | 0 | 106.8 | G248 P252 | G248-N250 PolarHBondContact O-N 3.34Å; N250-P252 WeakPolarHBondContact O-CD 3.45Å |
| 251 | L | 39.4 | Very low | 47 | Very low | 124 Ų | 124 | 111 Ų | 111 | 65% | 0.649 | 64% | 0.636 | S | S | * | * | | | trans | -77.6 | 107.4 | 159.2 | -88.6 | 74.3 | 0 | 0 | 0 | 106.5 | L249 L253 | L249-L251 HydrophobicContact CB-CD1 4.08Å; L249-L251 HydrophobicContact CD2-CD1 3.85Å; L249-L251 PolarHBondContact O-N 3.11Å; L251-L253 PolarHBondContact O-N 3.36Å; L251-L253 VanDerWaalsContact O-N 3.1Å |
| 252 | P | 45.3 | Very low | 45.7 | Very low | 115 Ų | 115 | 114.9 Ų | 114.9 | 75% | 0.747 | 66% | 0.655 | S | S | * | * | | | trans | -62.8 | 117.7 | 168.5 | 26.7 | -33 | 0 | 0 | 0 | 108 | N250 R254 | N250-P252 WeakPolarHBondContact O-CD 3.45Å; P252-R254 PolarHBondContact O-N 3.39Å |
| 253 | L | 42.7 | Very low | 44.7 | Very low | 138 Ų | 138 | 120.3 Ų | 120.3 | 72% | 0.723 | 69% | 0.69 | S | S | * | * | | | trans | -63.6 | 87.7 | 165.4 | -88.1 | 72.6 | 0 | 0 | 0 | 107.8 | L251 H255 | L251-L253 PolarHBondContact O-N 3.36Å; L251-L253 VanDerWaalsContact O-N 3.1Å; L253-H255 PolarHBondContact O-N 3.16Å; L253-H255 PolarHBondContact O-ND1 3.14Å |
| 254 | R | 40.8 | Very low | 43.7 | Very low | 210 Ų | 210 | 127.4 Ų | 127.4 | 79% | 0.792 | 71% | 0.711 | S | S | * | * | | | trans | -71.3 | 84.7 | 171.5 | -167.8 | 177.9 | -172 | -89.6 | -4.8 | 108.2 | P252 | P252-R254 PolarHBondContact O-N 3.39Š|
| 255 | H | 43.1 | Very low | 42.9 | Very low | 148 Ų | 148 | 125.3 Ų | 125.3 | 69% | 0.685 | 72% | 0.716 | S | S | * | * | | | trans | -52.4 | 145.6 | 170.4 | -73.9 | 75.2 | 0 | 0 | 0 | 109.8 | L253 | L253-H255 PolarHBondContact O-N 3.16Å; L253-H255 PolarHBondContact O-ND1 3.14Å |
| 256 | G | 35.2 | Very low | 42.2 | Very low | 63 Ų | 63 | 126.8 Ų | 126.8 | 65% | 0.649 | 73% | 0.733 | S | S | * | * | S | Bend | trans | -64.1 | 135.8 | -170.7 | 0 | 0 | 0 | 0 | 0 | 112.8 | | |
| 257 | N | 38 | Very low | 41.2 | Very low | 156 Ų | 156 | 129.6 Ų | 129.6 | 83% | 0.834 | 76% | 0.759 | S | S | * | * | | | trans | 179.7 | 122.9 | 135.6 | -88.4 | -19.7 | 0 | 0 | 0 | 107.6 | | |
| 258 | G | 36.5 | Very low | 40.7 | Very low | 59 Ų | 59 | 132.1 Ų | 132.1 | 61% | 0.608 | 78% | 0.776 | S | S | * | * | | | trans | 161.5 | 67.1 | -172.8 | 0 | 0 | 0 | 0 | 0 | 115.3 | | |
| 259 | T | 44.7 | Very low | 40.4 | Very low | 124 Ų | 124 | 133.6 Ų | 133.6 | 76% | 0.761 | 77% | 0.773 | S | S | * | * | | | trans | 54.5 | 111.1 | 148.5 | 60.2 | 0 | 0 | 0 | 0 | 120 | | |
| 260 | N | 36.6 | Very low | 39.9 | Very low | 154 Ų | 154 | 133.3 Ų | 133.3 | 82% | 0.824 | 78% | 0.782 | S | S | * | * | | | trans | 49.1 | 105.8 | 135 | -65.7 | -47.8 | 0 | 0 | 0 | 119 | | |
| 261 | L | 41.8 | Very low | 40.1 | Very low | 176 Ų | 176 | 131.2 Ų | 131.2 | 92% | 0.921 | 78% | 0.779 | S | S | * | * | | | | -169.8 | 98.7 | 126.4 | -99.8 | 165.3 | 0 | 0 | 0 | 108.7 | | |
| 262 | M | 37.3 | Very low | 40.3 | Very low | 162 Ų | 162 | 133.4 Ų | 133.4 | 80% | 0.798 | 79% | 0.792 | S | S | * | * | | | trans | -77.9 | 150.4 | 170.4 | -73 | 171.3 | 64.2 | 0 | 0 | 110.6 | | |
| 263 | P | 44.5 | Very low | 40.5 | Very low | 127 Ų | 127 | 130.7 Ų | 130.7 | 83% | 0.825 | 79% | 0.785 | S | S | * | * | | | | -123.2 | 155 | 119.1 | 34.1 | -29.5 | 0 | 0 | 0 | 113 | | |
| 264 | K | 39.2 | Very low | 41.3 | Very low | 201 Ų | 201 | 133.4 Ų | 133.4 | 87% | 0.874 | 79% | 0.791 | S | S | * | * | | | trans | -69.6 | 145.1 | -173.7 | -62.8 | 166.8 | 175.5 | 174.9 | 0 | 112.2 | | |
| 265 | G | 39.5 | Very low | 42.4 | Very low | 65 Ų | 65 | 130.1 Ų | 130.1 | 67% | 0.67 | 79% | 0.794 | S | S | * | * | | | trans | -176.5 | 98.2 | 168.7 | 0 | 0 | 0 | 0 | 0 | 113.8 | | |
| 266 | T | 42.8 | Very low | 43.5 | Very low | 145 Ų | 145 | 127.6 Ų | 127.6 | 89% | 0.89 | 79% | 0.785 | S | S | * | * | | | trans | 46.8 | 108.9 | 160.2 | 58.1 | 0 | 0 | 0 | 0 | 119.3 | | |
| 267 | S | 34.9 | Very low | 45.6 | Very low | 124 Ų | 124 | 127.7 Ų | 127.7 | 87% | 0.867 | 78% | 0.776 | S | S | * | * | | | trans | -67 | 128.8 | 161.9 | 50.1 | 0 | 0 | 0 | 0 | 112.8 | | |
| 268 | S | 39.9 | Very low | 47.6 | Very low | 125 Ų | 125 | 125.3 Ų | 125.3 | 87% | 0.874 | 77% | 0.767 | S | S | * | * | | | trans | -142.3 | 152.8 | 149.6 | 65.5 | 0 | 0 | 0 | 0 | 109.7 | | |
| 269 | S | 39.6 | Very low | 49.7 | Very low | 112 Ų | 112 | 125.4 Ų | 125.4 | 78% | 0.783 | 76% | 0.762 | S | S | * | * | | | trans | -110.1 | 148.5 | -154.8 | 52.2 | 0 | 0 | 0 | 0 | 114.4 | | |
| 270 | S | 34.6 | Very low | 51.4 | Low | 117 Ų | 117 | 124 Ų | 124 | 82% | 0.818 | 75% | 0.747 | S | S | * | * | | | trans | 60.7 | 96.8 | 145.4 | -161.4 | 0 | 0 | 0 | 0 | 118.7 | | |
| 271 | S | 45.1 | Very low | 53.7 | Low | 110 Ų | 110 | 122.8 Ų | 122.8 | 77% | 0.769 | 73% | 0.732 | S | S | * | * | | | trans | -151.8 | 149.6 | 131.4 | 65.6 | 0 | 0 | 0 | 0 | 109.8 | G273 | S271-G273 PolarHBondContact O-N 3.36Š|
| 272 | N | 45 | Very low | 55.9 | Low | 171 Ų | 171 | 118.6 Ų | 118.6 | 91% | 0.914 | 71% | 0.709 | S | S | * | * | | | trans | -78.6 | 48.2 | -172.7 | -73.1 | -47.4 | 0 | 0 | 0 | 113.5 | K274 | N272-K274 PolarHBondContact O-N 3.03Å; N272-K274 VanDerWaalsContact O-N 3.14Å |
| 273 | G | 48.9 | Very low | 58.2 | Low | 58 Ų | 58 | 113.3 Ų | 113.3 | 60% | 0.598 | 69% | 0.687 | S | S | * | * | | | trans | -76.9 | 92.6 | 177 | 0 | 0 | 0 | 0 | 0 | 112.2 | S271 T275 | S271-G273 PolarHBondContact O-N 3.36Å; G273-T275 PolarHBondContact O-N 2.94Å |
| 274 | K | 59.4 | Low | 60.1 | Low | 195 Ų | 195 | 110.1 Ų | 110.1 | 85% | 0.848 | 66% | 0.663 | S | S | * | * | | | trans | -63.5 | 105.7 | 163 | -70.7 | -179.8 | -178.3 | 175.7 | 0 | 108.2 | N272 L276 | N272-K274 PolarHBondContact O-N 3.03Å; N272-K274 VanDerWaalsContact O-N 3.14Å; K274-L276 VanDerWaalsContact C-N 3.33Å; K274-L276 PolarHBondContact O-N 3.24Å |
| 275 | T | 63.5 | Low | 62.4 | Low | 141 Ų | 141 | 106.4 Ų | 106.4 | 87% | 0.865 | 65% | 0.648 | S | S | * | * | | | trans | -68.7 | 90.5 | 174.4 | 53.7 | 0 | 0 | 0 | 0 | 109.4 | G273 | G273-T275 PolarHBondContact O-N 2.94Š|
| 276 | L | 66.1 | Low | 64.4 | Low | 95 Ų | 95 | 108.7 Ų | 108.7 | 50% | 0.497 | 64% | 0.644 | S | S | . | * | | | trans | -61.4 | 135.4 | 172.8 | -71.8 | 166.4 | 0 | 0 | 0 | 109.4 | K274 Q280 | K274-L276 VanDerWaalsContact C-N 3.33Å; K274-L276 PolarHBondContact O-N 3.24Å; L276-Q280 HydrophobicContact CB-CB 4.25Å; L276-Q280 HydrophobicContact CD2-CB 4Å |
| 277 | S | 80.6 | Confident | 66.5 | Low | 64 Ų | 64 | 103.5 Ų | 103.5 | 45% | 0.448 | 61% | 0.611 | S | S | . | * | | | trans | -60.6 | 148.7 | 171 | 174.5 | 0 | 0 | 0 | 0 | 110.1 | A279 Q280 Y281 | S277-A279 PolarHBondContact O-N 3.47Å; S277-A279 VanDerWaalsContact O-N 3.08Å; S277-A279 PolarHBondContact OG-N 2.97Å; S277-Q280 WeakPolarHBondContact O-CA 3.47Å; S277-Q280 WeakPolarHBondContact O-CB 3.38Å; S277-Q280 PolarHBondContact O-N 3.29Å; S277-Y281 PolarHBondContact O-N 3.28Å |
| 278 | T | 79.9 | Confident | 69 | Low | 107 Ų | 107 | 102 Ų | 102 | 66% | 0.656 | 59% | 0.59 | S | S | * | * | H | α-helix | trans | -50.2 | -37.3 | 173.5 | -46.6 | 0 | 0 | 0 | 0 | 111.5 | Q280 Y281 L282 | T278-Q280 PolarHBondContact O-N 3.1Å; T278-Y281 PolarHBondContact O-N 3.4Å; T278-L282 HydrophobicContact CG2-CD1 4.19Å; T278-L282 HydrophobicContact CG2-CG 4.42Å; T278-L282 WeakPolarHBondContact O-CB 3.47Å; T278-L282 VanDerWaalsContact O-CG 3.25Å; T278-L282 WeakPolarHBondContact O-CG 3.41Å; T278-L282 PolarHBondContact O-N 2.98Å |
| 279 | A | 79.8 | Confident | 71.3 | Confident | 60 Ų | 60 | 99 Ų | 99 | 50% | 0.496 | 57% | 0.568 | S | S | . | * | H | α-helix | trans | -64.2 | -37.3 | 175.8 | 0 | 0 | 0 | 0 | 0 | 113.4 | S277 T283 | S277-A279 PolarHBondContact O-N 3.47Å; S277-A279 VanDerWaalsContact O-N 3.08Å; S277-A279 PolarHBondContact OG-N 2.97Å; A279-T283 WeakPolarHBondContact O-CB 3.47Å; A279-T283 PolarHBondContact O-N 2.9Å; A279-T283 VanDerWaalsContact O-N 3.11Å; A279-T283 PolarHBondContact O-OG1 3.05Å |
| 280 | Q | 81 | Confident | 73.7 | Confident | 95 Ų | 95 | 99.9 Ų | 99.9 | 44% | 0.444 | 56% | 0.555 | S | S | . | * | H | α-helix | trans | -70.5 | -46.1 | 174.3 | -65.6 | 175.4 | -76 | 0 | 0 | 110.7 | L276 S277 T278 L282 T283 D284 | L276-Q280 HydrophobicContact CB-CB 4.25Å; L276-Q280 HydrophobicContact CD2-CB 4Å; S277-Q280 WeakPolarHBondContact O-CA 3.47Å; S277-Q280 WeakPolarHBondContact O-CB 3.38Å; S277-Q280 PolarHBondContact O-N 3.29Å; T278-Q280 PolarHBondContact O-N 3.1Å; Q280-L282 PolarHBondContact O-N 2.94Å; Q280-T283 PolarHBondContact O-N 3.39Å; Q280-T283 VanDerWaalsContact O-N 3.09Å; Q280-D284 WeakPolarHBondContact O-CB 3.37Å; Q280-D284 PolarHBondContact O-N 3.2Å |
| 281 | Y | 83.7 | Confident | 76.3 | Confident | 129 Ų | 129 | 99.2 Ų | 99.2 | 51% | 0.506 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -56.1 | -47.5 | 177 | -178.6 | -90.1 | 0 | 0 | 0 | 112.1 | S277 T278 T283 Q285 | S277-Y281 PolarHBondContact O-N 3.28Å; T278-Y281 PolarHBondContact O-N 3.4Å; Y281-T283 VanDerWaalsContact C-N 3.33Å; Y281-T283 PolarHBondContact O-N 3.43Å; Y281-Q285 HydrophobicContact CD2-CG 3.87Å; Y281-Q285 HydrophobicContact CE1-CB 4.38Å; Y281-Q285 HydrophobicContact CE2-CB 4.24Å; Y281-Q285 HydrophobicContact CE2-CG 3.71Å; Y281-Q285 HydrophobicContact CG-CG 4.44Å; Y281-Q285 VanDerWaalsContact O-CB 3.28Å; Y281-Q285 WeakPolarHBondContact O-CB 3.32Å; Y281-Q285 PolarHBondContact O-N 3.35Å |
| 282 | L | 88.1 | Confident | 78.4 | Confident | 87 Ų | 87 | 99.9 Ų | 99.9 | 46% | 0.455 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -63.8 | -37.7 | 176.6 | -66.6 | 173.4 | 0 | 0 | 0 | 112.3 | T278 Q280 L286 L287 | T278-L282 HydrophobicContact CG2-CD1 4.19Å; T278-L282 HydrophobicContact CG2-CG 4.42Å; T278-L282 WeakPolarHBondContact O-CB 3.47Å; T278-L282 VanDerWaalsContact O-CG 3.25Å; T278-L282 WeakPolarHBondContact O-CG 3.41Å; T278-L282 PolarHBondContact O-N 2.98Å; Q280-L282 PolarHBondContact O-N 2.94Å; L282-L286 HydrophobicContact CD2-CD1 3.78Å; L282-L286 WeakPolarHBondContact O-CB 3.44Å; L282-L286 PolarHBondContact O-N 2.93Å; L282-L287 PolarHBondContact O-N 2.87Å |
| 283 | T | 86.5 | Confident | 80.5 | Confident | 52 Ų | 52 | 97.4 Ų | 97.4 | 32% | 0.319 | 50% | 0.504 | S | S | . | . | I | π-helix | trans | -67.4 | -49.7 | 178.3 | -58.4 | 0 | 0 | 0 | 0 | 111.4 | A279 Q280 Y281 L287 Q288 | A279-T283 WeakPolarHBondContact O-CB 3.47Å; A279-T283 PolarHBondContact O-N 2.9Å; A279-T283 VanDerWaalsContact O-N 3.11Å; A279-T283 PolarHBondContact O-OG1 3.05Å; Q280-T283 PolarHBondContact O-N 3.39Å; Q280-T283 VanDerWaalsContact O-N 3.09Å; Y281-T283 VanDerWaalsContact C-N 3.33Å; Y281-T283 PolarHBondContact O-N 3.43Å; T283-L287 WeakPolarHBondContact O-CB 3.24Å; T283-L287 PolarHBondContact O-N 2.95Å; T283-Q288 WeakPolarHBondContact O-CG 3.41Å; T283-Q288 PolarHBondContact O-N 3.49Å |
| 284 | D | 84.6 | Confident | 82.4 | Confident | 60 Ų | 60 | 97.7 Ų | 97.7 | 32% | 0.321 | 49% | 0.492 | S | S | . | . | I | π-helix | trans | -81.6 | -40.4 | -170.7 | -63.5 | -26.6 | 0 | 0 | 0 | 112.5 | Q280 Q288 | Q280-D284 WeakPolarHBondContact O-CB 3.37Å; Q280-D284 PolarHBondContact O-N 3.2Å; D284-Q288 PolarHBondContact OD1-NE2 3.5Å |
| 285 | Q | 86.2 | Confident | 83.8 | Confident | 123 Ų | 123 | 94 Ų | 94 | 58% | 0.575 | 48% | 0.477 | S | S | * | . | I | π-helix | trans | -92 | -23.5 | -173.7 | -63.3 | -68.7 | 101.2 | 0 | 0 | 114.7 | Y281 | Y281-Q285 HydrophobicContact CD2-CG 3.87Å; Y281-Q285 HydrophobicContact CE1-CB 4.38Å; Y281-Q285 HydrophobicContact CE2-CB 4.24Å; Y281-Q285 HydrophobicContact CE2-CG 3.71Å; Y281-Q285 HydrophobicContact CG-CG 4.44Å; Y281-Q285 VanDerWaalsContact O-CB 3.28Å; Y281-Q285 WeakPolarHBondContact O-CB 3.32Å; Y281-Q285 PolarHBondContact O-N 3.35Å |
| 286 | L | 83 | Confident | 84.8 | Confident | 112 Ų | 112 | 93.4 Ų | 93.4 | 59% | 0.586 | 47% | 0.465 | S | S | * | . | I | π-helix | trans | -114.3 | -47.1 | 178.8 | -69.4 | 172.6 | 0 | 0 | 0 | 112.2 | L282 Y290 | L282-L286 HydrophobicContact CD2-CD1 3.78Å; L282-L286 WeakPolarHBondContact O-CB 3.44Å; L282-L286 PolarHBondContact O-N 2.93Å; L286-Y290 PolarHBondContact O-N 2.87Å |
| 287 | L | 87.1 | Confident | 85.5 | Confident | 36 Ų | 36 | 93.7 Ų | 93.7 | 19% | 0.188 | 47% | 0.465 | C | S | . | . | I | π-helix | trans | -81.5 | -37.6 | -168.2 | -156.7 | 63.4 | 0 | 0 | 0 | 114.2 | P240 L282 T283 Y290 R291 | P240-L287 HydrophobicContact CB-CD1 3.71Å; P240-L287 HydrophobicContact CB-CD2 4.15Å; P240-L287 HydrophobicContact CB-CG 4.42Å; P240-L287 HydrophobicContact CG-CD1 3.67Å; P240-L287 HydrophobicContact CG-CD2 3.97Å; P240-L287 HydrophobicContact CG-CG 4.06Å; L282-L287 PolarHBondContact O-N 2.87Å; T283-L287 WeakPolarHBondContact O-CB 3.24Å; T283-L287 PolarHBondContact O-N 2.95Å; L287-Y290 PolarHBondContact O-N 3.08Å; L287-R291 PolarHBondContact O-N 3.49Å; L287-R291 VanDerWaalsContact O-N 3.08Å |
| 288 | Q | 85.7 | Confident | 85.4 | Confident | 93 Ų | 93 | 96.6 Ų | 96.6 | 44% | 0.435 | 47% | 0.471 | S | S | . | . | H | α-helix | trans | -62.7 | -48.9 | 175 | -73.7 | -162.9 | 43.4 | 0 | 0 | 112.6 | T283 D284 Y290 R291 Q292 | T283-Q288 WeakPolarHBondContact O-CG 3.41Å; T283-Q288 PolarHBondContact O-N 3.49Å; D284-Q288 PolarHBondContact OD1-NE2 3.5Å; Q288-Y290 VanDerWaalsContact C-N 3.31Å; Q288-Y290 PolarHBondContact O-N 3.07Å; Q288-R291 PolarHBondContact O-N 3.41Å; Q288-Q292 PolarHBondContact O-N 3.25Å |
| 289 | P | 89.7 | Confident | 85.4 | Confident | 62 Ų | 62 | 97 Ų | 97 | 40% | 0.403 | 47% | 0.466 | S | S | . | . | H | α-helix | trans | -58.4 | -40.1 | 175.7 | -26.8 | 35.9 | 0 | 0 | 0 | 113.2 | R291 Q292 Y293 | P289-R291 PolarHBondContact O-N 3.04Å; P289-Q292 PolarHBondContact O-N 3.05Å; P289-Y293 PolarHBondContact O-N 3.41Å |
| 290 | Y | 88.9 | Confident | 84.9 | Confident | 130 Ų | 130 | 97.3 Ų | 97.3 | 51% | 0.51 | 47% | 0.468 | S | S | . | . | H | α-helix | trans | -64.6 | -39.9 | 177.6 | -173.8 | -113.7 | 0 | 0 | 0 | 112.6 | L286 L287 Q288 Y293 L294 | L286-Y290 PolarHBondContact O-N 2.87Å; L287-Y290 PolarHBondContact O-N 3.08Å; Q288-Y290 VanDerWaalsContact C-N 3.31Å; Q288-Y290 PolarHBondContact O-N 3.07Å; Y290-Y293 PolarHBondContact O-N 2.9Å; Y290-L294 HydrophobicContact CD1-CD1 4.07Å; Y290-L294 HydrophobicContact CE1-CD1 3.6Å; Y290-L294 HydrophobicContact CE1-CG 4.26Å; Y290-L294 HydrophobicContact CE2-CG 4.48Å; Y290-L294 WeakPolarHBondContact O-CG 3.39Å; Y290-L294 PolarHBondContact O-N 2.67Å |
| 291 | R | 88.8 | Confident | 83.9 | Confident | 103 Ų | 103 | 97.7 Ų | 97.7 | 39% | 0.389 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -62.4 | -41.1 | 173 | -79.6 | 179 | 164.1 | 168.6 | -4.6 | 112.2 | D239 L287 Q288 P289 L294 Q295 | D239-R291 IonicContact OD1-NH2 3.13Å; D239-R291 PolarHBondContact OD1-NH2 2.89Å; D239-R291 VanDerWaalsContact OD1-NH2 3.13Å; L287-R291 PolarHBondContact O-N 3.49Å; L287-R291 VanDerWaalsContact O-N 3.08Å; Q288-R291 PolarHBondContact O-N 3.41Å; P289-R291 PolarHBondContact O-N 3.04Å; R291-L294 PolarHBondContact O-N 3.49Å; R291-Q295 PolarHBondContact O-N 3.46Å; R291-Q295 VanDerWaalsContact O-N 3.11Å |
| 292 | Q | 90.4 | Very high | 82.7 | Confident | 125 Ų | 125 | 95.5 Ų | 95.5 | 58% | 0.584 | 49% | 0.485 | S | S | * | . | H | α-helix | trans | -64.4 | -43.4 | 176.3 | -71.3 | 176.5 | -22 | 0 | 0 | 112 | Q288 P289 Q295 Q296 | Q288-Q292 PolarHBondContact O-N 3.25Å; P289-Q292 PolarHBondContact O-N 3.05Å; Q292-Q295 PolarHBondContact O-N 3.2Å; Q292-Q296 PolarHBondContact O-N 2.99Å |
| 293 | Y | 89.2 | Confident | 80.8 | Confident | 118 Ų | 118 | 96.1 Ų | 96.1 | 46% | 0.463 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -59.3 | -47.2 | 175.7 | 173.5 | -105.9 | 0 | 0 | 0 | 112.5 | P289 Y290 Q295 Q296 M297 | P289-Y293 PolarHBondContact O-N 3.41Å; Y290-Y293 PolarHBondContact O-N 2.9Å; Y293-Q295 VanDerWaalsContact C-N 3.27Å; Y293-Q295 PolarHBondContact O-N 3.37Å; Y293-Q296 PolarHBondContact O-N 2.93Å; Y293-M297 HydrophobicContact CD2-CG 4.45Å; Y293-M297 HydrophobicContact CE1-CG 4.11Å; Y293-M297 HydrophobicContact CE2-CG 4Å; Y293-M297 HydrophobicContact CE2-SD 4.24Å; Y293-M297 WeakPolarHBondContact O-CG 3.24Å; Y293-M297 PolarHBondContact O-N 3.27Å |
| 294 | L | 89.2 | Confident | 79.1 | Confident | 65 Ų | 65 | 99.1 Ų | 99.1 | 34% | 0.34 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -61.3 | -35.9 | 176.3 | -70.5 | 177.8 | 0 | 0 | 0 | 112.6 | Y290 R291 Q298 | Y290-L294 HydrophobicContact CD1-CD1 4.07Å; Y290-L294 HydrophobicContact CE1-CD1 3.6Å; Y290-L294 HydrophobicContact CE1-CG 4.26Å; Y290-L294 HydrophobicContact CE2-CG 4.48Å; Y290-L294 WeakPolarHBondContact O-CG 3.39Å; Y290-L294 PolarHBondContact O-N 2.67Å; R291-L294 PolarHBondContact O-N 3.49Å; L294-Q298 WeakPolarHBondContact O-CG 3.33Å; L294-Q298 PolarHBondContact O-N 3.39Å; L294-Q298 VanDerWaalsContact O-N 3.16Å |
| 295 | Q | 87 | Confident | 77.2 | Confident | 116 Ų | 116 | 103.5 Ų | 103.5 | 54% | 0.542 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -69.6 | -40 | 176.3 | -169.5 | 168.3 | 31.5 | 0 | 0 | 112 | R291 Q292 Y293 Q298 Q299 | R291-Q295 PolarHBondContact O-N 3.46Å; R291-Q295 VanDerWaalsContact O-N 3.11Å; Q292-Q295 PolarHBondContact O-N 3.2Å; Y293-Q295 VanDerWaalsContact C-N 3.27Å; Y293-Q295 PolarHBondContact O-N 3.37Å; Q295-Q298 PolarHBondContact O-N 2.92Å; Q295-Q299 WeakPolarHBondContact O-CG 3.4Å; Q295-Q299 PolarHBondContact O-N 2.96Å |
| 296 | Q | 85.1 | Confident | 75.2 | Confident | 130 Ų | 130 | 103.3 Ų | 103.3 | 61% | 0.607 | 55% | 0.546 | S | S | * | . | H | α-helix | trans | -63.9 | -41.1 | 175.1 | -169.2 | 176.3 | 29.9 | 0 | 0 | 111.7 | Q292 Y293 Q298 Q299 A300 | Q292-Q296 PolarHBondContact O-N 2.99Å; Y293-Q296 PolarHBondContact O-N 2.93Å; Q296-Q298 PolarHBondContact O-N 2.95Å; Q296-Q299 PolarHBondContact O-N 2.83Å; Q296-A300 WeakPolarHBondContact O-CB 3.44Å; Q296-A300 PolarHBondContact O-N 3.11Å |
| 297 | M | 80.4 | Confident | 73.2 | Confident | 100 Ų | 100 | 105.4 Ų | 105.4 | 49% | 0.493 | 56% | 0.557 | S | S | . | * | H | α-helix | trans | -62.4 | -40.4 | 175.6 | -73.9 | -62.2 | -61.6 | 0 | 0 | 112.7 | Y293 A300 S301 | Y293-M297 HydrophobicContact CD2-CG 4.45Å; Y293-M297 HydrophobicContact CE1-CG 4.11Å; Y293-M297 HydrophobicContact CE2-CG 4Å; Y293-M297 HydrophobicContact CE2-SD 4.24Å; Y293-M297 WeakPolarHBondContact O-CG 3.24Å; Y293-M297 PolarHBondContact O-N 3.27Å; M297-A300 PolarHBondContact O-N 3.05Å; M297-S301 PolarHBondContact O-N 3.13Å; M297-S301 VanDerWaalsContact O-N 3.16Å |
| 298 | Q | 80.3 | Confident | 71.3 | Confident | 126 Ų | 126 | 109.2 Ų | 109.2 | 59% | 0.589 | 59% | 0.587 | S | S | * | * | H | α-helix | trans | -65.8 | -41.8 | 175.1 | -72.3 | 173.6 | 34.3 | 0 | 0 | 111.7 | L294 Q295 Q296 S301 S302 | L294-Q298 WeakPolarHBondContact O-CG 3.33Å; L294-Q298 PolarHBondContact O-N 3.39Å; L294-Q298 VanDerWaalsContact O-N 3.16Å; Q295-Q298 PolarHBondContact O-N 2.92Å; Q296-Q298 PolarHBondContact O-N 2.95Å; Q298-S301 PolarHBondContact O-N 3.09Å; Q298-S301 PolarHBondContact O-OG 3.45Å; Q298-S302 PolarHBondContact O-N 3.37Å |
| 299 | Q | 78.2 | Confident | 69.2 | Low | 114 Ų | 114 | 110 Ų | 110 | 53% | 0.533 | 60% | 0.6 | S | S | . | * | H | α-helix | trans | -62.9 | -44.5 | 175.8 | -71.7 | 174.9 | 9.4 | 0 | 0 | 111.8 | Q295 Q296 S301 S302 | Q295-Q299 WeakPolarHBondContact O-CG 3.4Å; Q295-Q299 PolarHBondContact O-N 2.96Å; Q296-Q299 PolarHBondContact O-N 2.83Å; Q299-S301 VanDerWaalsContact C-N 3.26Å; Q299-S301 PolarHBondContact O-N 2.69Å; Q299-S302 WeakPolarHBondContact CA-OG 3.3Å; Q299-S302 PolarHBondContact O-N 3.34Å; Q299-S302 PolarHBondContact O-OG 3.09Å |
| 300 | A | 69.9 | Low | 67 | Low | 67 Ų | 67 | 114.8 Ų | 114.8 | 55% | 0.554 | 62% | 0.621 | S | S | * | * | H | α-helix | trans | -62.5 | -29.5 | 177.8 | 0 | 0 | 0 | 0 | 0 | 113.5 | Q296 M297 S302 T303 | Q296-A300 WeakPolarHBondContact O-CB 3.44Å; Q296-A300 PolarHBondContact O-N 3.11Å; M297-A300 PolarHBondContact O-N 3.05Å; A300-S302 VanDerWaalsContact C-N 3.32Å; A300-T303 PolarHBondContact O-OG1 3.05Å |
| 301 | S | 60.4 | Low | 64.8 | Low | 103 Ų | 103 | 114.6 Ų | 114.6 | 72% | 0.72 | 64% | 0.639 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -80.1 | -9 | 173 | 68.3 | 0 | 0 | 0 | 0 | 114.7 | M297 Q298 Q299 | M297-S301 PolarHBondContact O-N 3.13Å; M297-S301 VanDerWaalsContact O-N 3.16Å; Q298-S301 PolarHBondContact O-N 3.09Å; Q298-S301 PolarHBondContact O-OG 3.45Å; Q299-S301 VanDerWaalsContact C-N 3.26Å; Q299-S301 PolarHBondContact O-N 2.69Å |
| 302 | S | 57.2 | Low | 62.6 | Low | 83 Ų | 83 | 115.5 Ų | 115.5 | 58% | 0.58 | 66% | 0.656 | S | S | * | * | S | Bend | trans | -106.8 | -0.8 | -172.9 | 73.1 | 0 | 0 | 0 | 0 | 115 | Q298 Q299 A300 P304 | Q298-S302 PolarHBondContact O-N 3.37Å; Q299-S302 WeakPolarHBondContact CA-OG 3.3Å; Q299-S302 PolarHBondContact O-N 3.34Å; Q299-S302 PolarHBondContact O-OG 3.09Å; A300-S302 VanDerWaalsContact C-N 3.32Å; S302-P304 VanDerWaalsContact O-CD 3.23Å; S302-P304 WeakPolarHBondContact O-CD 3.29Å |
| 303 | T | 49.6 | Very low | 59.9 | Low | 100 Ų | 100 | 114.5 Ų | 114.5 | 61% | 0.613 | 66% | 0.661 | S | S | * | * | | | trans | -79.2 | 113 | 175.3 | 51.8 | 0 | 0 | 0 | 0 | 110.6 | A300 N305 | A300-T303 PolarHBondContact O-OG1 3.05Å; T303-N305 PolarHBondContact O-N 3.27Å |
| 304 | P | 50.9 | Low | 57.7 | Low | 115 Ų | 115 | 114.8 Ų | 114.8 | 75% | 0.747 | 68% | 0.681 | S | S | * | * | | | trans | -71 | 127.1 | 173.7 | 29.7 | -33.4 | 0 | 0 | 0 | 110 | S302 P306 | S302-P304 VanDerWaalsContact O-CD 3.23Å; S302-P304 WeakPolarHBondContact O-CD 3.29Å; P304-P306 VanDerWaalsContact O-CD 3.28Å; P304-P306 WeakPolarHBondContact O-CD 3.5Å |
| 305 | N | 44.6 | Very low | 55.4 | Low | 152 Ų | 152 | 119 Ų | 119 | 81% | 0.813 | 70% | 0.702 | S | S | * | * | | | trans | -59.6 | 119.6 | 175.5 | -73.4 | -40.5 | 0 | 0 | 0 | 110.9 | T303 L307 | T303-N305 PolarHBondContact O-N 3.27Å; N305-L307 PolarHBondContact O-N 3Å |
| 306 | P | 43.6 | Very low | 53.4 | Low | 120 Ų | 120 | 118.4 Ų | 118.4 | 78% | 0.779 | 71% | 0.711 | S | S | * | * | | | trans | -96.8 | 36.9 | -177.7 | 38.9 | -34.5 | 0 | 0 | 0 | 112.7 | P304 | P304-P306 VanDerWaalsContact O-CD 3.28Å; P304-P306 WeakPolarHBondContact O-CD 3.5Å |
| 307 | L | 41.8 | Very low | 51.5 | Low | 155 Ų | 155 | 117 Ų | 117 | 81% | 0.812 | 72% | 0.716 | S | S | * | * | | | trans | -145 | 91.6 | -179.5 | -72.8 | 177.6 | 0 | 0 | 0 | 112.2 | N305 | N305-L307 PolarHBondContact O-N 3Š|
| 308 | S | 46 | Very low | 49.9 | Very low | 117 Ų | 117 | 118.7 Ų | 118.7 | 82% | 0.818 | 73% | 0.732 | S | S | * | * | | | trans | -155.4 | 79.7 | 161.7 | 63.3 | 0 | 0 | 0 | 0 | 113.1 | | |
| 309 | P | 42.2 | Very low | 48.1 | Very low | 110 Ų | 110 | 116 Ų | 116 | 71% | 0.714 | 74% | 0.738 | S | S | * | * | | | trans | -95.8 | 112.2 | 155.6 | 33.2 | -23.1 | 0 | 0 | 0 | 109.3 | | |
| 310 | L | 44.5 | Very low | 46.5 | Very low | 162 Ų | 162 | 119.2 Ų | 119.2 | 85% | 0.848 | 76% | 0.758 | S | S | * | * | | | trans | -164.3 | 117.2 | 145 | -130.6 | 72.2 | 0 | 0 | 0 | 110 | | |
| 311 | S | 41.3 | Very low | 45.3 | Very low | 126 Ų | 126 | 121.6 Ų | 121.6 | 88% | 0.881 | 77% | 0.77 | S | S | * | * | | | trans | -72.4 | 136.3 | 162 | -64.8 | 0 | 0 | 0 | 0 | 109.2 | | |
| 312 | T | 42.6 | Very low | 44.5 | Very low | 122 Ų | 122 | 120.4 Ų | 120.4 | 75% | 0.748 | 77% | 0.774 | S | S | * | * | | | trans | -132.2 | 119 | 155 | -47.9 | 0 | 0 | 0 | 0 | 108.6 | | |
| 313 | C | 34.6 | Very low | 44 | Very low | 103 Ų | 103 | 122.2 Ų | 122.2 | 70% | 0.696 | 79% | 0.787 | S | S | * | * | | | trans | -72.1 | 132.3 | 178.9 | 48.1 | 0 | 0 | 0 | 0 | 111.7 | | |
| 314 | S | 42.6 | Very low | 43.7 | Very low | 124 Ų | 124 | 121.7 Ų | 121.7 | 87% | 0.867 | 79% | 0.793 | S | S | * | * | | | trans | -104.5 | 116.5 | 164 | -67.5 | 0 | 0 | 0 | 0 | 109.1 | | |
| 315 | I | 40.6 | Very low | 43.4 | Very low | 153 Ų | 153 | 120.9 Ų | 120.9 | 79% | 0.785 | 80% | 0.796 | S | S | * | * | | | trans | -102.9 | 110.3 | -177.8 | -53.4 | 167.8 | 0 | 0 | 0 | 108.6 | | |
| 316 | S | 44.6 | Very low | 43.4 | Very low | 104 Ų | 104 | 118.2 Ų | 118.2 | 73% | 0.727 | 79% | 0.794 | S | S | * | * | | | trans | -148.2 | 97.4 | 164.5 | -58.5 | 0 | 0 | 0 | 0 | 107.7 | | |
| 317 | S | 45.8 | Very low | 43.3 | Very low | 102 Ų | 102 | 117.3 Ų | 117.3 | 71% | 0.713 | 80% | 0.798 | S | S | * | * | | | | 43.9 | 111 | 97.2 | 72.4 | 0 | 0 | 0 | 0 | 112.2 | | |
| 318 | T | 47.2 | Very low | 43.4 | Very low | 135 Ų | 135 | 114 Ų | 114 | 83% | 0.828 | 79% | 0.792 | S | S | * | * | | | cis | -170 | 146 | 49.9 | 43.8 | 0 | 0 | 0 | 0 | 111.3 | | |
| 319 | G | 40.9 | Very low | 43.6 | Very low | 70 Ų | 70 | 114.8 Ų | 114.8 | 72% | 0.722 | 79% | 0.792 | S | S | * | * | | | trans | 49.4 | 118.6 | 146 | 0 | 0 | 0 | 0 | 0 | 121.2 | | |
| 320 | L | 46.1 | Very low | 43.7 | Very low | 180 Ų | 180 | 119.5 Ų | 119.5 | 94% | 0.942 | 80% | 0.795 | S | S | * | * | | | | -163.7 | 146.8 | 116.2 | -100 | 161.4 | 0 | 0 | 0 | 110.3 | | |
| 321 | S | 44.4 | Very low | 43.9 | Very low | 118 Ų | 118 | 119.2 Ų | 119.2 | 83% | 0.825 | 79% | 0.79 | S | S | * | * | | | trans | -80 | 142.1 | -168.6 | 51.2 | 0 | 0 | 0 | 0 | 114.1 | | |
| 322 | G | 43.1 | Very low | 44.3 | Very low | 77 Ų | 77 | 123 Ų | 123 | 79% | 0.794 | 79% | 0.79 | S | S | * | * | | | trans | -163.9 | 63.9 | -179 | 0 | 0 | 0 | 0 | 0 | 116.7 | | |
| 323 | S | 46.7 | Very low | 44.3 | Very low | 122 Ų | 122 | 128.2 Ų | 128.2 | 85% | 0.853 | 80% | 0.796 | S | S | * | * | | | trans | 39.9 | 122.4 | 150.2 | -145.9 | 0 | 0 | 0 | 0 | 122.7 | | |
| 324 | A | 44.4 | Very low | 45 | Very low | 89 Ų | 89 | 126.1 Ų | 126.1 | 74% | 0.736 | 79% | 0.793 | S | S | * | * | | | trans | 78.2 | 118.7 | 132.2 | 0 | 0 | 0 | 0 | 0 | 122.9 | | |
| 325 | A | 43.5 | Very low | 45.1 | Very low | 98 Ų | 98 | 126.8 Ų | 126.8 | 81% | 0.81 | 79% | 0.786 | S | S | * | * | | | | 100.1 | 118.5 | 124.4 | 0 | 0 | 0 | 0 | 0 | 121.4 | | |
| 326 | A | 44.5 | Very low | 45.7 | Very low | 95 Ų | 95 | 128.3 Ų | 128.3 | 79% | 0.785 | 79% | 0.79 | S | S | * | * | | | trans | 90.8 | 109.2 | 135.3 | 0 | 0 | 0 | 0 | 0 | 120.7 | | |
| 327 | A | 42.3 | Very low | 45.5 | Very low | 102 Ų | 102 | 130.1 Ų | 130.1 | 84% | 0.843 | 80% | 0.797 | S | S | * | * | | | trans | 67.5 | 154.1 | 138 | 0 | 0 | 0 | 0 | 0 | 119.6 | | |
| 328 | A | 44 | Very low | 45.3 | Very low | 85 Ų | 85 | 131.5 Ų | 131.5 | 70% | 0.702 | 80% | 0.804 | S | S | * | * | | | cis | -169.7 | 146 | -26.6 | 0 | 0 | 0 | 0 | 0 | 109 | | |
| 329 | V | 49.1 | Very low | 44.7 | Very low | 133 Ų | 133 | 131.6 Ų | 131.6 | 81% | 0.806 | 80% | 0.8 | S | S | * | * | | | trans | 72.6 | 113.2 | 145.1 | 171.6 | 0 | 0 | 0 | 0 | 119.8 | | |
| 330 | R | 45.2 | Very low | 44.9 | Very low | 209 Ų | 209 | 133.2 Ų | 133.2 | 79% | 0.789 | 80% | 0.8 | S | S | * | * | | | trans | 80.8 | 104.9 | 136.8 | -151.2 | 172.1 | -162.9 | -172.6 | 3.9 | 118.8 | | |
| 331 | E | 48.4 | Very low | 44.9 | Very low | 157 Ų | 157 | 131.1 Ų | 131.1 | 73% | 0.734 | 79% | 0.79 | S | S | * | * | | | | 76.7 | 109.2 | 71.7 | -175 | -159.5 | -145.7 | 0 | 0 | 115.1 | | |
| 332 | K | 49.6 | Very low | 44.6 | Very low | 205 Ų | 205 | 133 Ų | 133 | 89% | 0.891 | 79% | 0.791 | S | S | * | * | | | | -163.5 | 140.4 | 127.2 | -117 | -175.3 | 177.9 | -173 | 0 | 111.8 | | |
| 333 | R | 42.5 | Very low | 44.6 | Very low | 231 Ų | 231 | 137.1 Ų | 137.1 | 87% | 0.872 | 80% | 0.795 | S | S | * | * | | | trans | -95.1 | 163 | 174.8 | -62.2 | -176.3 | -177.8 | -150.2 | 2.9 | 111.4 | | |
| 334 | G | 50.3 | Low | 44.3 | Very low | 60 Ų | 60 | 140.1 Ų | 140.1 | 62% | 0.619 | 80% | 0.795 | S | S | * | * | | | trans | -169.7 | 80.5 | 169.4 | 0 | 0 | 0 | 0 | 0 | 112.3 | | |
| 335 | D | 43.1 | Very low | 44.4 | Very low | 138 Ų | 138 | 145.5 Ų | 145.5 | 74% | 0.738 | 81% | 0.805 | S | S | * | * | | | trans | -96.6 | 125.4 | 172 | -64.3 | -55.5 | 0 | 0 | 0 | 110.1 | | |
| 336 | H | 54.4 | Low | 44.4 | Very low | 185 Ų | 185 | 148.2 Ų | 148.2 | 86% | 0.856 | 81% | 0.806 | S | S | * | * | | | trans | -135.8 | 105.1 | 174.1 | -59.4 | -36.7 | 0 | 0 | 0 | 110.6 | | |
| 337 | T | 39.6 | Very low | 44.3 | Very low | 142 Ų | 142 | 149.2 Ų | 149.2 | 87% | 0.871 | 81% | 0.808 | S | S | * | * | | | trans | -105.1 | 128.5 | 171.5 | -57.3 | 0 | 0 | 0 | 0 | 109.2 | | |
| 338 | C | 42.1 | Very low | 44.3 | Very low | 130 Ų | 130 | 150.4 Ų | 150.4 | 88% | 0.878 | 81% | 0.809 | S | S | * | * | | | trans | -147.2 | 133.9 | 157 | 55 | 0 | 0 | 0 | 0 | 111.2 | | |
| 339 | N | 35.1 | Very low | 44.3 | Very low | 138 Ų | 138 | 149.9 Ų | 149.9 | 74% | 0.738 | 81% | 0.812 | S | S | * | * | | | trans | -108.8 | 142.9 | 180 | 170.7 | 39.1 | 0 | 0 | 0 | 108.3 | | |
| 340 | S | 44.7 | Very low | 44 | Very low | 103 Ų | 103 | 149.7 Ų | 149.7 | 72% | 0.72 | 82% | 0.817 | S | S | * | * | | | trans | -167.2 | 108.1 | 158.3 | -84.6 | 0 | 0 | 0 | 0 | 113.5 | | |
| 341 | N | 45 | Very low | 43.7 | Very low | 137 Ų | 137 | 144.8 Ų | 144.8 | 73% | 0.733 | 82% | 0.815 | S | S | * | * | | | | 64.9 | 133.5 | 124.6 | -55.3 | -10.6 | 0 | 0 | 0 | 121.9 | | |
| 342 | N | 38.3 | Very low | 44.1 | Very low | 156 Ų | 156 | 143.1 Ų | 143.1 | 83% | 0.834 | 82% | 0.817 | S | S | * | * | | | trans | -72.8 | 162.1 | 168.2 | -48.4 | -56.1 | 0 | 0 | 0 | 111.8 | | |
| 343 | N | 43.5 | Very low | 43.6 | Very low | 165 Ų | 165 | 139 Ų | 139 | 88% | 0.882 | 82% | 0.815 | S | S | * | * | | | trans | -155.4 | 154.2 | 139.4 | -101.6 | -10.1 | 0 | 0 | 0 | 110.4 | | |
| 344 | E | 40.1 | Very low | 43.8 | Very low | 185 Ų | 185 | 139.2 Ų | 139.2 | 86% | 0.864 | 82% | 0.816 | S | S | * | * | | | trans | -79.1 | 160.5 | -178.3 | -60.1 | 159.4 | 121.9 | 0 | 0 | 111.9 | | |
| 345 | E | 48 | Very low | 43.3 | Very low | 201 Ų | 201 | 141.9 Ų | 141.9 | 94% | 0.939 | 83% | 0.825 | S | S | * | * | | | trans | -167 | 150.8 | 131.4 | -111.6 | 174.9 | -152.8 | 0 | 0 | 112.6 | | |
| 346 | D | 41.6 | Very low | 43.5 | Very low | 155 Ų | 155 | 142.2 Ų | 142.2 | 83% | 0.829 | 83% | 0.831 | S | S | * | * | | | trans | -74.9 | 156 | -174.5 | -80.1 | -60.5 | 0 | 0 | 0 | 114.3 | | |
| 347 | S | 44 | Very low | 42.9 | Very low | 117 Ų | 117 | 138.5 Ų | 138.5 | 82% | 0.818 | 83% | 0.826 | S | S | * | * | | | | 159.7 | 142.4 | 118.6 | -73.4 | 0 | 0 | 0 | 0 | 114.5 | | |
| 348 | S | 42.4 | Very low | 43 | Very low | 126 Ų | 126 | 139.6 Ų | 139.6 | 88% | 0.881 | 83% | 0.826 | S | S | * | * | | | trans | -57.6 | 153.4 | 175.3 | 47.4 | 0 | 0 | 0 | 0 | 116 | | |
| 349 | G | 42.5 | Very low | 43.4 | Very low | 74 Ų | 74 | 139.6 Ų | 139.6 | 76% | 0.763 | 82% | 0.824 | S | S | * | * | | | trans | 158.4 | 92.4 | 156.8 | 0 | 0 | 0 | 0 | 0 | 120 | | |
| 350 | S | 43.7 | Very low | 43.5 | Very low | 129 Ų | 129 | 141.8 Ų | 141.8 | 90% | 0.902 | 83% | 0.83 | S | S | * | * | | | trans | 68.7 | 150.9 | 144.4 | -149.3 | 0 | 0 | 0 | 0 | 121.6 | | |
| 351 | S | 40 | Very low | 43.2 | Very low | 106 Ų | 106 | 142 Ų | 142 | 74% | 0.741 | 83% | 0.831 | S | S | * | * | | | trans | -83.6 | 152.6 | -171 | -47.7 | 0 | 0 | 0 | 0 | 114.5 | | |
| 352 | P | 56.5 | Low | 43 | Very low | 122 Ų | 122 | 142.1 Ų | 142.1 | 79% | 0.792 | 84% | 0.837 | S | S | * | * | | | trans | -100.3 | 112.9 | 163.3 | 34.3 | -26.9 | 0 | 0 | 0 | 112.1 | | |
| 353 | S | 38.7 | Very low | 43.3 | Very low | 120 Ų | 120 | 140 Ų | 140 | 84% | 0.839 | 83% | 0.832 | S | S | * | * | | | trans | -94.4 | 116.1 | 154.8 | -60.6 | 0 | 0 | 0 | 0 | 108.8 | | |
| 354 | R | 45.5 | Very low | 42.9 | Very low | 235 Ų | 235 | 138.7 Ų | 138.7 | 89% | 0.887 | 83% | 0.83 | S | S | * | * | | | trans | -134.6 | 119.8 | 167.3 | -64.7 | -169.9 | 89.5 | -164.5 | 7.2 | 111.1 | | |
| 355 | S | 40.8 | Very low | 42.9 | Very low | 116 Ų | 116 | 134.9 Ų | 134.9 | 81% | 0.811 | 82% | 0.824 | S | S | * | * | | | trans | -66.5 | 144.6 | 169.8 | 50.5 | 0 | 0 | 0 | 0 | 112.5 | | |
| 356 | V | 46.1 | Very low | 42.7 | Very low | 145 Ų | 145 | 132 Ų | 132 | 88% | 0.879 | 82% | 0.82 | S | S | * | * | | | trans | -136.6 | 143.3 | 156.1 | -171.3 | 0 | 0 | 0 | 0 | 109.5 | | |
| 357 | S | 43.7 | Very low | 42.8 | Very low | 107 Ų | 107 | 130.2 Ų | 130.2 | 75% | 0.748 | 82% | 0.82 | S | S | * | * | | | trans | -88.1 | 161.4 | -160 | -41.4 | 0 | 0 | 0 | 0 | 115.5 | | |
| 358 | L | 40.4 | Very low | 42.3 | Very low | 165 Ų | 165 | 130.1 Ų | 130.1 | 86% | 0.864 | 82% | 0.818 | S | S | * | * | | | trans | -65.2 | 160.9 | 158 | -78.7 | 74.9 | 0 | 0 | 0 | 111.1 | | |
| 359 | P | 50.5 | Low | 42.5 | Very low | 129 Ų | 129 | 133.4 Ų | 133.4 | 84% | 0.838 | 82% | 0.816 | S | S | * | * | | | trans | -129.4 | 173.4 | 133.5 | 37.2 | -28.3 | 0 | 0 | 0 | 114.3 | | |
| 360 | Q | 38.6 | Very low | 42.3 | Very low | 185 Ų | 185 | 137.8 Ų | 137.8 | 86% | 0.864 | 82% | 0.817 | S | S | * | * | | | trans | -105.5 | 171.3 | -160 | -158.9 | 171.1 | 9.6 | 0 | 0 | 113.2 | | |
| 361 | S | 38.3 | Very low | 42 | Very low | 107 Ų | 107 | 139 Ų | 139 | 75% | 0.748 | 81% | 0.808 | S | S | * | * | | | trans | -56.8 | 154.1 | -177.3 | 52 | 0 | 0 | 0 | 0 | 117.8 | | |
| 362 | T | 40.1 | Very low | 42.1 | Very low | 139 Ų | 139 | 142.2 Ų | 142.2 | 85% | 0.853 | 81% | 0.811 | S | S | * | * | | | trans | -133.5 | 155.5 | 165.5 | 52.4 | 0 | 0 | 0 | 0 | 113 | | |
| 363 | P | 44.3 | Very low | 41.1 | Very low | 113 Ų | 113 | 141.7 Ų | 141.7 | 73% | 0.734 | 81% | 0.81 | S | S | * | * | | | trans | -121 | 165.3 | -165.5 | 42.8 | -31.3 | 0 | 0 | 0 | 117.7 | | |
| 364 | T | 34.5 | Very low | 41 | Very low | 136 Ų | 136 | 142 Ų | 142 | 83% | 0.834 | 81% | 0.81 | S | S | * | * | | | trans | 17.6 | 134.8 | 151.4 | 58 | 0 | 0 | 0 | 0 | 122.9 | | |
| 365 | S | 39.8 | Very low | 40.9 | Very low | 106 Ų | 106 | 141 Ų | 141 | 74% | 0.741 | 81% | 0.812 | S | S | * | * | | | trans | -166.8 | 169.4 | 135.5 | 64.6 | 0 | 0 | 0 | 0 | 115.1 | | |
| 366 | T | 44.8 | Very low | 40.8 | Very low | 139 Ų | 139 | 143.9 Ų | 143.9 | 85% | 0.853 | 81% | 0.812 | S | S | * | * | | | trans | 79 | 142.7 | 177.9 | 75.4 | 0 | 0 | 0 | 0 | 115.5 | | |
| 367 | S | 43.5 | Very low | 40.7 | Very low | 118 Ų | 118 | 143.9 Ų | 143.9 | 83% | 0.825 | 81% | 0.813 | S | S | * | * | | | cis | -149.9 | -172.2 | -11.5 | -157.8 | 0 | 0 | 0 | 0 | 111.8 | | |
| 368 | C | 34.4 | Very low | 40.3 | Very low | 115 Ų | 115 | 146.5 Ų | 146.5 | 78% | 0.777 | 82% | 0.819 | S | S | * | * | | | trans | -129 | 159.7 | -170.9 | -50.4 | 0 | 0 | 0 | 0 | 115.6 | | |
| 369 | K | 44.8 | Very low | 40.3 | Very low | 196 Ų | 196 | 142.5 Ų | 142.5 | 85% | 0.852 | 82% | 0.818 | S | S | * | * | | | trans | -177.6 | 99.9 | 146.1 | -101.1 | 164.2 | -176 | -176.3 | 0 | 109.1 | | |
| 370 | Q | 40.1 | Very low | 39.7 | Very low | 165 Ų | 165 | 141.5 Ų | 141.5 | 77% | 0.771 | 82% | 0.82 | S | S | * | * | | | | 70.8 | 106.2 | 92.8 | -86.5 | 177.4 | -15.6 | 0 | 0 | 116.8 | | |
| 371 | Q | 36.9 | Very low | 40 | Very low | 154 Ų | 154 | 137.1 Ų | 137.1 | 72% | 0.72 | 82% | 0.815 | S | S | * | * | | | | 54.4 | 137.2 | 127.5 | -59.3 | 177.3 | -1.9 | 0 | 0 | 118.8 | | |
| 372 | H | 41 | Very low | 40.1 | Very low | 174 Ų | 174 | 138 Ų | 138 | 81% | 0.806 | 82% | 0.819 | S | S | * | * | | | | -152.5 | 167.4 | 54.6 | -69.4 | -83.5 | 0 | 0 | 0 | 116.3 | | |
| 373 | S | 35.3 | Very low | 40.4 | Very low | 111 Ų | 111 | 139.4 Ų | 139.4 | 78% | 0.776 | 82% | 0.819 | S | S | * | * | | | trans | -31 | 151 | 179.8 | -47.4 | 0 | 0 | 0 | 0 | 122.6 | | |
| 374 | P | 38.4 | Very low | 40.6 | Very low | 127 Ų | 127 | 139.7 Ų | 139.7 | 83% | 0.825 | 82% | 0.819 | S | S | * | * | | | trans | -95.6 | 162.1 | 170.2 | 38.7 | -34.1 | 0 | 0 | 0 | 113.9 | | |
| 375 | K | 42.8 | Very low | 41 | Very low | 215 Ų | 215 | 139.3 Ų | 139.3 | 94% | 0.935 | 82% | 0.819 | S | S | * | * | | | trans | -137.5 | 137.3 | 160.7 | -115.8 | -177 | -179.3 | -177.5 | 0 | 111.5 | | |
| 376 | Q | 38.1 | Very low | 41.3 | Very low | 175 Ų | 175 | 139.6 Ų | 139.6 | 82% | 0.818 | 82% | 0.821 | S | S | * | * | | | trans | -89.7 | 147.9 | -179.3 | -56.2 | 165.3 | 2.3 | 0 | 0 | 110.9 | | |
| 377 | T | 43.7 | Very low | 41.6 | Very low | 145 Ų | 145 | 138.6 Ų | 138.6 | 89% | 0.89 | 82% | 0.817 | S | S | * | * | | | trans | -150.8 | 140.5 | 141.2 | 42.3 | 0 | 0 | 0 | 0 | 109.9 | | |
| 378 | N | 36.8 | Very low | 42.2 | Very low | 162 Ų | 162 | 139.1 Ų | 139.1 | 87% | 0.866 | 82% | 0.817 | S | S | * | * | | | trans | -88.2 | 158.5 | -174.5 | -55.6 | -58.9 | 0 | 0 | 0 | 112.4 | | |
| 379 | G | 39.8 | Very low | 43 | Very low | 82 Ų | 82 | 142.4 Ų | 142.4 | 85% | 0.845 | 82% | 0.821 | S | S | * | * | | | trans | -178.5 | 104.8 | 168.5 | 0 | 0 | 0 | 0 | 0 | 111.4 | | |
| 380 | A | 38.2 | Very low | 42.8 | Very low | 107 Ų | 107 | 139.7 Ų | 139.7 | 88% | 0.884 | 82% | 0.821 | S | S | * | * | | | trans | -111.5 | 142.1 | -172.7 | 0 | 0 | 0 | 0 | 0 | 112.6 | | |
| 381 | A | 45.1 | Very low | 43.3 | Very low | 93 Ų | 93 | 137.7 Ų | 137.7 | 77% | 0.769 | 82% | 0.82 | S | S | * | * | | | trans | -165.5 | 134.7 | 149.5 | 0 | 0 | 0 | 0 | 0 | 110.3 | | |
| 382 | P | 39.9 | Very low | 43.4 | Very low | 127 Ų | 127 | 135.8 Ų | 135.8 | 83% | 0.825 | 82% | 0.824 | S | S | * | * | | | trans | -102.6 | 143 | 178.8 | 36.9 | -30.7 | 0 | 0 | 0 | 112.8 | | |
| 383 | I | 45.7 | Very low | 44 | Very low | 167 Ų | 167 | 134 Ų | 134 | 86% | 0.856 | 83% | 0.825 | S | S | * | * | | | trans | -136.5 | 147.9 | 168.7 | -49.3 | -179.9 | 0 | 0 | 0 | 110.4 | | |
| 384 | T | 47.9 | Very low | 44.6 | Very low | 119 Ų | 119 | 133 Ų | 133 | 73% | 0.73 | 82% | 0.818 | S | S | * | * | | | trans | -76 | 159.4 | -164.4 | 48.8 | 0 | 0 | 0 | 0 | 116.4 | | |
| 385 | P | 43.3 | Very low | 44.6 | Very low | 129 Ų | 129 | 135.2 Ų | 135.2 | 84% | 0.838 | 82% | 0.817 | S | S | * | * | | | trans | -86 | 142.5 | 173 | 34.9 | -33.2 | 0 | 0 | 0 | 113.2 | | |
| 386 | S | 45.8 | Very low | 44.8 | Very low | 112 Ų | 112 | 130.9 Ų | 130.9 | 78% | 0.783 | 81% | 0.811 | S | S | * | * | | | trans | -121.8 | 155.3 | 172.4 | -73.8 | 0 | 0 | 0 | 0 | 111.4 | | |
| 387 | P | 52.4 | Low | 44.7 | Very low | 118 Ų | 118 | 129.8 Ų | 129.8 | 77% | 0.766 | 81% | 0.806 | S | S | * | * | P | Polyproline II helix | trans | -85.9 | 165.3 | -166.1 | 34.3 | -35.2 | 0 | 0 | 0 | 114.4 | | |
| 388 | P | 56.7 | Low | 44.8 | Very low | 128 Ų | 128 | 129.7 Ų | 129.7 | 83% | 0.831 | 81% | 0.805 | S | S | * | * | P | Polyproline II helix | trans | -74.9 | 148.8 | -164.9 | 29.3 | -36.6 | 0 | 0 | 0 | 115.4 | | |
| 389 | E | 49.3 | Very low | 44.6 | Very low | 184 Ų | 184 | 129.8 Ų | 129.8 | 86% | 0.86 | 80% | 0.801 | S | S | * | * | P | Polyproline II helix | trans | -67.5 | 149.6 | -177.5 | -70.1 | 171.8 | 97.9 | 0 | 0 | 114.6 | | |
| 390 | V | 42.3 | Very low | 44.7 | Very low | 139 Ų | 139 | 131 Ų | 131 | 84% | 0.842 | 80% | 0.796 | S | S | * | * | P | Polyproline II helix | trans | -94.1 | 121.5 | 162.6 | -72.1 | 0 | 0 | 0 | 0 | 109.2 | | |
| 391 | T | 49.4 | Very low | 44.6 | Very low | 123 Ų | 123 | 133.6 Ų | 133.6 | 76% | 0.755 | 79% | 0.79 | S | S | * | * | | | trans | -105 | 98.4 | 174.5 | -37.6 | 0 | 0 | 0 | 0 | 110.2 | | |
| 392 | S | 40 | Very low | 44.5 | Very low | 114 Ų | 114 | 137.3 Ų | 137.3 | 80% | 0.797 | 79% | 0.791 | S | S | * | * | | | trans | -77 | 137.7 | 163.5 | -63.9 | 0 | 0 | 0 | 0 | 109.4 | | |
| 393 | T | 53.2 | Low | 44.5 | Very low | 136 Ų | 136 | 139.4 Ų | 139.4 | 83% | 0.834 | 79% | 0.789 | S | S | * | * | | | trans | -141.6 | 136.2 | 164.4 | -60.6 | 0 | 0 | 0 | 0 | 109.2 | | |
| 394 | S | 48.2 | Very low | 44.3 | Very low | 90 Ų | 90 | 140.4 Ų | 140.4 | 63% | 0.629 | 79% | 0.79 | S | S | * | * | | | trans | -116 | 129 | -157.8 | 50.9 | 0 | 0 | 0 | 0 | 113.1 | | |
| 395 | H | 38.6 | Very low | 44.2 | Very low | 174 Ų | 174 | 142.5 Ų | 142.5 | 81% | 0.806 | 79% | 0.791 | S | S | * | * | | | trans | 65.9 | 164.8 | 144.5 | -62.4 | -43.4 | 0 | 0 | 0 | 117.6 | | |
| 396 | P | 47 | Very low | 44.1 | Very low | 125 Ų | 125 | 142.4 Ų | 142.4 | 81% | 0.812 | 78% | 0.783 | S | S | * | * | | | cis | -128.8 | 178.6 | 15.6 | 40.7 | -22.9 | 0 | 0 | 0 | 117.9 | | |
| 397 | H | 36 | Very low | 44 | Very low | 151 Ų | 151 | 144.1 Ų | 144.1 | 70% | 0.699 | 78% | 0.784 | S | S | * | * | | | trans | -62.2 | 146.6 | 176.7 | -90.9 | -126.3 | 0 | 0 | 0 | 114.2 | | |
| 398 | T | 44.3 | Very low | 43.3 | Very low | 144 Ų | 144 | 144.1 Ų | 144.1 | 88% | 0.883 | 78% | 0.777 | S | S | * | * | | | trans | -137.5 | 128.6 | 135.1 | 43.2 | 0 | 0 | 0 | 0 | 109.6 | | |
| 399 | E | 33.7 | Very low | 42.8 | Very low | 164 Ų | 164 | 147 Ų | 147 | 77% | 0.766 | 78% | 0.78 | S | S | * | * | | | trans | -86.4 | 138.4 | 174.3 | -66.5 | 175.1 | 130.9 | 0 | 0 | 110.1 | | |
| 400 | S | 42 | Very low | 42.2 | Very low | 108 Ų | 108 | 145.6 Ų | 145.6 | 76% | 0.755 | 77% | 0.772 | S | S | * | * | | | trans | -150.6 | 120.4 | 159.1 | -173.9 | 0 | 0 | 0 | 0 | 110.1 | H402 | S400-H402 PolarHBondContact O-N 3.36Š|
| 401 | H | 36.5 | Very low | 42.5 | Very low | 161 Ų | 161 | 145.2 Ų | 145.2 | 75% | 0.745 | 77% | 0.77 | S | S | * | * | | | trans | -76.8 | 118.4 | -179 | -74.8 | -95.8 | 0 | 0 | 0 | 111.1 | | |
| 402 | H | 41.4 | Very low | 41.9 | Very low | 170 Ų | 170 | 145.2 Ų | 145.2 | 79% | 0.787 | 77% | 0.766 | S | S | * | * | | | trans | -124.8 | 110.7 | 162.4 | -89.6 | 4.9 | 0 | 0 | 0 | 112 | S400 H404 | S400-H402 PolarHBondContact O-N 3.36Å; H402-H404 PolarHBondContact O-N 3.4Å |
| 403 | H | 40.8 | Very low | 41.7 | Very low | 171 Ų | 171 | 146.1 Ų | 146.1 | 79% | 0.792 | 77% | 0.77 | S | S | * | * | | | trans | -59 | 124.3 | 175.3 | -76.6 | 0.1 | 0 | 0 | 0 | 111.4 | H405 | H403-H405 PolarHBondContact O-N 2.8Å; H403-H405 VanDerWaalsContact O-N 3.16Å |
| 404 | H | 41.6 | Very low | 41 | Very low | 189 Ų | 189 | 149 Ų | 149 | 88% | 0.875 | 77% | 0.766 | S | S | * | * | | | trans | -76.1 | 97.9 | 163.2 | -87.6 | 49.1 | 0 | 0 | 0 | 109.5 | H402 N406 | H402-H404 PolarHBondContact O-N 3.4Å; H404-N406 PolarHBondContact O-N 3.15Å; H404-N406 VanDerWaalsContact O-N 3.15Å |
| 405 | H | 45.7 | Very low | 40.6 | Very low | 162 Ų | 162 | 152.3 Ų | 152.3 | 75% | 0.75 | 77% | 0.771 | S | S | * | * | | | trans | -73 | 104 | 171.7 | -135 | 83.8 | 0 | 0 | 0 | 109.4 | H403 N407 | H403-H405 PolarHBondContact O-N 2.8Å; H403-H405 VanDerWaalsContact O-N 3.16Å; H405-N407 PolarHBondContact O-N 3.03Å; H405-N407 VanDerWaalsContact O-N 3.16Å |
| 406 | N | 40.3 | Very low | 40.8 | Very low | 128 Ų | 128 | 151.3 Ų | 151.3 | 68% | 0.684 | 77% | 0.771 | S | S | * | * | | | trans | -83 | 87.8 | -175.1 | -176.2 | 18.5 | 0 | 0 | 0 | 110.8 | H404 N408 | H404-N406 PolarHBondContact O-N 3.15Å; H404-N406 VanDerWaalsContact O-N 3.15Å; N406-N408 PolarHBondContact O-N 3.31Å |
| 407 | N | 43.9 | Very low | 40.5 | Very low | 147 Ų | 147 | 151.8 Ų | 151.8 | 79% | 0.786 | 77% | 0.766 | S | S | * | * | | | trans | -76.3 | 92.3 | 176.7 | -93.7 | -24.5 | 0 | 0 | 0 | 111.7 | H405 H409 | H405-N407 PolarHBondContact O-N 3.03Å; H405-N407 VanDerWaalsContact O-N 3.16Å; N407-H409 PolarHBondContact O-N 3.27Å |
| 408 | N | 39 | Very low | 40.5 | Very low | 119 Ų | 119 | 149.3 Ų | 149.3 | 64% | 0.636 | 77% | 0.772 | S | S | * | * | | | trans | -63.1 | 121.5 | 165.4 | -74.7 | -68.6 | 0 | 0 | 0 | 110.6 | N406 | N406-N408 PolarHBondContact O-N 3.31Š|
| 409 | H | 45.2 | Very low | 40.1 | Very low | 189 Ų | 189 | 145.9 Ų | 145.9 | 88% | 0.875 | 77% | 0.765 | S | S | * | * | | | trans | -109.6 | 84.2 | 154.3 | -118 | 26.1 | 0 | 0 | 0 | 109.9 | N407 V411 | N407-H409 PolarHBondContact O-N 3.27Å; H409-V411 PolarHBondContact O-N 3.4Å |
| 410 | H | 36.2 | Very low | 40.3 | Very low | 153 Ų | 153 | 149.1 Ų | 149.1 | 71% | 0.708 | 77% | 0.771 | S | S | * | * | | | trans | -84.5 | 93.3 | 178.6 | -178.2 | -48.3 | 0 | 0 | 0 | 109.3 | | |
| 411 | V | 48.5 | Very low | 39.9 | Very low | 131 Ų | 131 | 150.5 Ų | 150.5 | 79% | 0.794 | 78% | 0.779 | S | S | * | * | | | trans | -89.9 | 132 | 168.5 | -169 | 0 | 0 | 0 | 0 | 109.5 | H409 | H409-V411 PolarHBondContact O-N 3.4Š|
| 412 | N | 38 | Very low | 39.9 | Very low | 124 Ų | 124 | 149.4 Ų | 149.4 | 66% | 0.663 | 78% | 0.778 | S | S | * | * | | | trans | -52.9 | 135.2 | -172 | -95.9 | -50.2 | 0 | 0 | 0 | 115.2 | | |
| 413 | C | 36.2 | Very low | 39.6 | Very low | 133 Ų | 133 | 146.8 Ų | 146.8 | 90% | 0.899 | 77% | 0.774 | S | S | * | * | | | trans | -157.4 | 95.9 | 141 | -99.9 | 0 | 0 | 0 | 0 | 109.7 | | |
| 414 | R | 37 | Very low | 39.3 | Very low | 197 Ų | 197 | 143.2 Ų | 143.2 | 74% | 0.743 | 77% | 0.768 | S | S | * | * | | | trans | -88.2 | 156.2 | 168.2 | -89.3 | -176.9 | 162.4 | -162.7 | -3 | 109.9 | | |
| 415 | Q | 41.5 | Very low | 38.9 | Very low | 158 Ų | 158 | 140.4 Ų | 140.4 | 74% | 0.738 | 76% | 0.764 | S | S | * | * | | | trans | 68 | 135.5 | 159.8 | -72.6 | 139 | -18.7 | 0 | 0 | 115.6 | | |
| 416 | L | 42.8 | Very low | 38.6 | Very low | 153 Ų | 153 | 138.4 Ų | 138.4 | 80% | 0.801 | 77% | 0.769 | S | S | * | * | | | cis | -136.4 | 137.1 | -3.8 | -71.4 | 110.5 | 0 | 0 | 0 | 107.4 | | |
| 417 | L | 38.9 | Very low | 38.7 | Very low | 135 Ų | 135 | 138.5 Ų | 138.5 | 71% | 0.707 | 78% | 0.776 | S | S | * | * | | | | 67.1 | 112.1 | 73.8 | -165.6 | 64 | 0 | 0 | 0 | 116.7 | | |
| 418 | A | 37.7 | Very low | 38.7 | Very low | 100 Ų | 100 | 137.5 Ų | 137.5 | 83% | 0.826 | 78% | 0.78 | S | S | * | * | | | trans | 80.3 | 147.3 | 153.7 | 0 | 0 | 0 | 0 | 0 | 122.8 | | |
| 419 | G | 36 | Very low | 38.6 | Very low | 72 Ų | 72 | 135.3 Ų | 135.3 | 74% | 0.742 | 79% | 0.786 | S | S | * | * | | | trans | 89.7 | 93.9 | 170 | 0 | 0 | 0 | 0 | 0 | 115.1 | | |
| 420 | R | 36.6 | Very low | 38.6 | Very low | 232 Ų | 232 | 131.9 Ų | 131.9 | 88% | 0.875 | 78% | 0.784 | S | S | * | * | | | cis | 63.1 | 95.5 | 33.9 | -131.6 | -172.4 | 171.8 | 177.2 | -4.9 | 113.6 | | |
| 421 | C | 35.2 | Very low | 38.8 | Very low | 137 Ų | 137 | 132.4 Ų | 132.4 | 93% | 0.926 | 79% | 0.792 | S | S | * | * | | | trans | -135.3 | 143.3 | 155.1 | -90.3 | 0 | 0 | 0 | 0 | 110.3 | | |
| 422 | L | 36.6 | Very low | 38.7 | Very low | 138 Ų | 138 | 133.1 Ų | 133.1 | 72% | 0.723 | 80% | 0.796 | S | S | * | * | | | trans | -117.4 | 155.9 | -177.5 | -80.1 | 165.8 | 0 | 0 | 0 | 110.1 | | |
| 423 | T | 33.8 | Very low | 38.8 | Very low | 115 Ų | 115 | 130.7 Ų | 130.7 | 71% | 0.706 | 80% | 0.8 | S | S | * | * | | | trans | 54.6 | 99.2 | 144.8 | 54.6 | 0 | 0 | 0 | 0 | 120.1 | | |
| 424 | S | 35 | Very low | 39.1 | Very low | 96 Ų | 96 | 129.5 Ų | 129.5 | 67% | 0.671 | 80% | 0.8 | S | S | * | * | | | | 40.9 | 117.9 | 112.4 | 63.7 | 0 | 0 | 0 | 0 | 121.2 | | |
| 425 | T | 33.9 | Very low | 39.5 | Very low | 129 Ų | 129 | 125.2 Ų | 125.2 | 79% | 0.791 | 80% | 0.8 | S | S | * | * | | | trans | 64.4 | 117.2 | 130.3 | 61.2 | 0 | 0 | 0 | 0 | 121.2 | | |
| 426 | S | 37.7 | Very low | 40 | Very low | 121 Ų | 121 | 123.6 Ų | 123.6 | 85% | 0.846 | 81% | 0.807 | S | S | * | * | | | | -147 | 133.4 | 129.6 | -81.6 | 0 | 0 | 0 | 0 | 109.1 | | |
| 427 | P | 42.8 | Very low | 40 | Very low | 130 Ų | 130 | 120 Ų | 120 | 84% | 0.844 | 81% | 0.806 | S | S | * | * | | | trans | -93.4 | 147.7 | 176.6 | 35.7 | -31.9 | 0 | 0 | 0 | 111.8 | | |
| 428 | S | 43.9 | Very low | 40.1 | Very low | 125 Ų | 125 | 117 Ų | 117 | 87% | 0.874 | 81% | 0.808 | S | S | * | * | | | trans | -138.9 | 132.9 | 160.2 | -169.2 | 0 | 0 | 0 | 0 | 108.2 | | |
| 429 | G | 36.9 | Very low | 40.8 | Very low | 73 Ų | 73 | 121 Ų | 121 | 75% | 0.753 | 81% | 0.812 | S | S | * | * | | | trans | -102.8 | 158.6 | -177 | 0 | 0 | 0 | 0 | 0 | 112.5 | | |
| 430 | S | 45.7 | Very low | 41.4 | Very low | 118 Ų | 118 | 124.7 Ų | 124.7 | 83% | 0.825 | 82% | 0.815 | S | S | * | * | | | trans | -158.6 | 117.4 | 157.2 | 53.2 | 0 | 0 | 0 | 0 | 108.9 | | |
| 431 | D | 39.9 | Very low | 41.6 | Very low | 164 Ų | 164 | 118.6 Ų | 118.6 | 88% | 0.877 | 81% | 0.808 | S | S | * | * | | | trans | -70.2 | 140.5 | 175.3 | -59.4 | -76.7 | 0 | 0 | 0 | 112.3 | | |
| 432 | T | 47.7 | Very low | 42.2 | Very low | 145 Ų | 145 | 117.7 Ų | 117.7 | 89% | 0.89 | 80% | 0.803 | S | S | * | * | | | trans | -156.3 | 130.4 | 140 | 44.2 | 0 | 0 | 0 | 0 | 108.5 | | |
| 433 | G | 39.8 | Very low | 42.7 | Very low | 73 Ų | 73 | 117.8 Ų | 117.8 | 75% | 0.753 | 81% | 0.809 | S | S | * | * | | | trans | -105.5 | -148.9 | -174.4 | 0 | 0 | 0 | 0 | 0 | 115 | | |
| 434 | A | 42 | Very low | 43.4 | Very low | 108 Ų | 108 | 118 Ų | 118 | 89% | 0.893 | 82% | 0.815 | S | S | * | * | | | trans | 76 | 150.8 | -175.8 | 0 | 0 | 0 | 0 | 0 | 116.2 | | |
| 435 | S | 46.2 | Very low | 43.9 | Very low | 107 Ų | 107 | 119.4 Ų | 119.4 | 75% | 0.748 | 82% | 0.822 | S | S | * | * | | | cis | -171.9 | 160.8 | -31.6 | -168.1 | 0 | 0 | 0 | 0 | 108.3 | | |
| 436 | S | 51.1 | Low | 44.3 | Very low | 125 Ų | 125 | 119.8 Ų | 119.8 | 87% | 0.874 | 82% | 0.824 | S | S | * | * | | | trans | 64.2 | 152.1 | 172.3 | 74.5 | 0 | 0 | 0 | 0 | 117.5 | | |
| 437 | G | 42.6 | Very low | 44.5 | Very low | 76 Ų | 76 | 119.6 Ų | 119.6 | 78% | 0.784 | 82% | 0.818 | S | S | * | * | | | cis | 170.9 | 161.1 | -6.5 | 0 | 0 | 0 | 0 | 0 | 112.3 | | |
| 438 | G | 41.5 | Very low | 44.6 | Very low | 73 Ų | 73 | 118.1 Ų | 118.1 | 75% | 0.753 | 81% | 0.811 | S | S | * | * | | | trans | 83.5 | 121.6 | 173.7 | 0 | 0 | 0 | 0 | 0 | 115.2 | | |
| 439 | M | 52.7 | Low | 44.5 | Very low | 183 Ų | 183 | 120.2 Ų | 120.2 | 90% | 0.901 | 81% | 0.807 | S | S | * | * | | | cis | 89.2 | 81.3 | 19 | -52.1 | 178.1 | 78 | 0 | 0 | 118 | | |
| 440 | N | 48.1 | Very low | 44.9 | Very low | 151 Ų | 151 | 125 Ų | 125 | 81% | 0.807 | 81% | 0.81 | S | S | * | * | | | trans | 171.4 | 136.7 | 135.9 | 47.8 | 18.4 | 0 | 0 | 0 | 109 | | |
| 441 | S | 41.3 | Very low | 44.6 | Very low | 103 Ų | 103 | 124.8 Ų | 124.8 | 72% | 0.72 | 81% | 0.806 | S | S | * | * | | | cis | 98.4 | 131.9 | 21 | 79.1 | 0 | 0 | 0 | 0 | 115.3 | | |
| 442 | S | 47.2 | Very low | 45.2 | Very low | 118 Ų | 118 | 123.2 Ų | 123.2 | 83% | 0.825 | 80% | 0.796 | S | S | * | * | | | trans | 78.1 | 140.5 | -174.2 | 84.5 | 0 | 0 | 0 | 0 | 114 | | |
| 443 | T | 45.9 | Very low | 44.8 | Very low | 140 Ų | 140 | 124.3 Ų | 124.3 | 86% | 0.859 | 80% | 0.796 | S | S | * | * | | | cis | -143 | 167.2 | 11.2 | 21.2 | 0 | 0 | 0 | 0 | 113.5 | | |
| 444 | S | 49.2 | Very low | 45.3 | Very low | 119 Ų | 119 | 131.3 Ų | 131.3 | 83% | 0.832 | 80% | 0.8 | S | S | * | * | | | trans | -71.4 | 171.7 | -169.2 | -57.3 | 0 | 0 | 0 | 0 | 117.6 | | |
| 445 | P | 45.3 | Very low | 45.3 | Very low | 126 Ų | 126 | 132 Ų | 132 | 82% | 0.818 | 80% | 0.795 | S | S | * | * | | | trans | -107.4 | 176.3 | -159.6 | 42 | -35.5 | 0 | 0 | 0 | 115.6 | | |
| 446 | V | 42.1 | Very low | 44.9 | Very low | 138 Ų | 138 | 138.2 Ų | 138.2 | 84% | 0.836 | 80% | 0.802 | S | S | * | * | | | trans | -140.8 | 145.6 | 163.2 | 68.9 | 0 | 0 | 0 | 0 | 112.7 | | |
| 447 | T | 41.8 | Very low | 44.4 | Very low | 117 Ų | 117 | 140.9 Ų | 140.9 | 72% | 0.718 | 80% | 0.801 | S | S | * | * | | | trans | -55.6 | 152.2 | -171 | 53.8 | 0 | 0 | 0 | 0 | 118.2 | | |
| 448 | S | 45.2 | Very low | 44.4 | Very low | 98 Ų | 98 | 142.4 Ų | 142.4 | 69% | 0.685 | 80% | 0.8 | S | S | * | * | | | | 149.7 | 119.9 | 113.7 | -72.4 | 0 | 0 | 0 | 0 | 114.9 | | |
| 449 | E | 42 | Very low | 44.3 | Very low | 169 Ų | 169 | 146.8 Ų | 146.8 | 79% | 0.79 | 81% | 0.806 | S | S | * | * | | | trans | 36.4 | 109.9 | 144.9 | -33.7 | -44.4 | 111.1 | 0 | 0 | 122 | | |
| 450 | E | 45 | Very low | 43.5 | Very low | 174 Ų | 174 | 145.8 Ų | 145.8 | 81% | 0.813 | 80% | 0.804 | S | S | * | * | | | | 171.4 | 152.5 | 103.6 | -104.4 | -137.4 | 124.5 | 0 | 0 | 113.2 | | |
| 451 | P | 39.1 | Very low | 43.3 | Very low | 114 Ų | 114 | 146 Ų | 146 | 74% | 0.74 | 80% | 0.804 | S | S | * | * | | | trans | -96.7 | 117.1 | 179.7 | 35.3 | -28.9 | 0 | 0 | 0 | 113.2 | | |
| 452 | I | 54.3 | Low | 43.1 | Very low | 131 Ų | 131 | 144.6 Ų | 144.6 | 67% | 0.672 | 81% | 0.805 | S | S | * | * | | | trans | -110 | 105.1 | 176.6 | -60.7 | 178.9 | 0 | 0 | 0 | 111.3 | R454 | I452-R454 HydrophobicContact CG2-CG 3.94Å; I452-R454 PolarHBondContact O-N 3.35Å |
| 453 | D | 37.4 | Very low | 42.8 | Very low | 168 Ų | 168 | 148.3 Ų | 148.3 | 90% | 0.898 | 81% | 0.809 | S | S | * | * | | | trans | -66.7 | 115.6 | 163 | -96.8 | -41.1 | 0 | 0 | 0 | 110.4 | | |
| 454 | R | 51.6 | Low | 42.4 | Very low | 220 Ų | 220 | 147.1 Ų | 147.1 | 83% | 0.83 | 81% | 0.807 | S | S | * | * | | | trans | -141 | 149.5 | 164.2 | -76.6 | -169.2 | -164.4 | -111 | -2.7 | 112.8 | I452 | I452-R454 HydrophobicContact CG2-CG 3.94Å; I452-R454 PolarHBondContact O-N 3.35Å |
| 455 | P | 41 | Very low | 42.3 | Very low | 123 Ų | 123 | 150.4 Ų | 150.4 | 80% | 0.799 | 81% | 0.809 | S | S | * | * | | | trans | -86.5 | 150.4 | -163.1 | 33 | -31.4 | 0 | 0 | 0 | 113 | | |
| 456 | R | 39.1 | Very low | 42.2 | Very low | 236 Ų | 236 | 149 Ų | 149 | 89% | 0.891 | 80% | 0.802 | S | S | * | * | | | trans | -95.9 | 97.9 | -176.6 | -174 | 175 | -177.8 | 159.6 | 1.6 | 112.1 | | |
| 457 | E | 40.2 | Very low | 42.1 | Very low | 182 Ų | 182 | 149.6 Ų | 149.6 | 85% | 0.85 | 80% | 0.8 | S | S | * | * | | | trans | -70.7 | 153.9 | 162.2 | -65.6 | -174.9 | 153.7 | 0 | 0 | 110.8 | | |
| 458 | S | 42.6 | Very low | 42.3 | Very low | 108 Ų | 108 | 156.2 Ų | 156.2 | 76% | 0.755 | 81% | 0.812 | S | S | * | * | | | trans | -119.6 | 104.9 | -171.5 | -62.9 | 0 | 0 | 0 | 0 | 111.1 | | |
| 459 | N | 40.3 | Very low | 42 | Very low | 164 Ų | 164 | 156.6 Ų | 156.6 | 88% | 0.877 | 82% | 0.815 | S | S | * | * | | | trans | -94 | 137.2 | 170.6 | -78.4 | -17.2 | 0 | 0 | 0 | 110.9 | | |
| 460 | N | 34.8 | Very low | 42.2 | Very low | 162 Ų | 162 | 157.2 Ų | 157.2 | 87% | 0.866 | 82% | 0.815 | S | S | * | * | | | trans | -134.3 | 119.6 | -178.1 | -159.2 | 15.5 | 0 | 0 | 0 | 107.2 | | |
| 461 | I | 44.5 | Very low | 42.1 | Very low | 157 Ų | 157 | 156.5 Ų | 156.5 | 81% | 0.805 | 82% | 0.816 | S | S | * | * | | | trans | -124 | 124.6 | 177.7 | -62.6 | 177 | 0 | 0 | 0 | 106.8 | | |
| 462 | G | 37.2 | Very low | 42.6 | Very low | 72 Ų | 72 | 158.6 Ų | 158.6 | 74% | 0.742 | 82% | 0.819 | S | S | * | * | | | trans | -108.8 | 150.9 | 171.1 | 0 | 0 | 0 | 0 | 0 | 110.5 | | |
| 463 | E | 40 | Very low | 41.8 | Very low | 197 Ų | 197 | 160.2 Ų | 160.2 | 92% | 0.921 | 83% | 0.829 | S | S | * | * | | | trans | -125.7 | 157.1 | 162 | -78.7 | -164.1 | 116.5 | 0 | 0 | 110.7 | | |
| 464 | S | 39 | Very low | 41.8 | Very low | 114 Ų | 114 | 155.6 Ų | 155.6 | 80% | 0.797 | 82% | 0.821 | S | S | * | * | | | trans | -103.1 | -172.2 | -161.1 | -70.8 | 0 | 0 | 0 | 0 | 113.4 | | |
| 465 | Q | 45.9 | Very low | 41.1 | Very low | 189 Ų | 189 | 153.1 Ų | 153.1 | 88% | 0.883 | 82% | 0.824 | S | S | * | * | | | trans | 92 | 135.7 | 164 | -51 | -178.2 | 22.1 | 0 | 0 | 114.6 | | |
| 466 | S | 42.4 | Very low | 41.4 | Very low | 96 Ų | 96 | 151.7 Ų | 151.7 | 67% | 0.671 | 82% | 0.817 | S | S | * | * | | | cis | -161.9 | 160.7 | -7.3 | 40.2 | 0 | 0 | 0 | 0 | 111.8 | | |
| 467 | D | 41.1 | Very low | 41.8 | Very low | 150 Ų | 150 | 146.2 Ų | 146.2 | 80% | 0.802 | 82% | 0.815 | S | S | * | * | | | trans | 34.1 | 113.2 | 151.4 | -59.5 | -49.4 | 0 | 0 | 0 | 121.8 | | |
| 468 | R | 45.9 | Very low | 42.2 | Very low | 256 Ų | 256 | 145.1 Ų | 145.1 | 97% | 0.966 | 81% | 0.81 | S | S | * | * | | | | -158.9 | 126.8 | 118 | -111.3 | 170.1 | -170.8 | -137.1 | 1.5 | 112.1 | | |
| 469 | S | 39.9 | Very low | 42.4 | Very low | 106 Ų | 106 | 143.9 Ų | 143.9 | 74% | 0.741 | 81% | 0.806 | S | S | * | * | | | trans | -108.4 | 169 | 178.3 | 58.3 | 0 | 0 | 0 | 0 | 112 | | |
| 470 | K | 44.4 | Very low | 42.7 | Very low | 183 Ų | 183 | 139.8 Ų | 139.8 | 80% | 0.796 | 80% | 0.795 | S | S | * | * | | | trans | 89.5 | 131.3 | 158.6 | -81.4 | -174.9 | 176.6 | -176.9 | 0 | 120.8 | | |
| 471 | L | 44.5 | Very low | 43.4 | Very low | 158 Ų | 158 | 138.8 Ų | 138.8 | 83% | 0.827 | 79% | 0.788 | S | S | * | * | | | trans | 78.4 | 136.8 | 151.1 | -61.9 | 158.8 | 0 | 0 | 0 | 115.1 | | |
| 472 | I | 48.2 | Very low | 43.8 | Very low | 159 Ų | 159 | 139.7 Ų | 139.7 | 82% | 0.815 | 79% | 0.791 | S | S | * | * | | | cis | -141.9 | 155.3 | 18.8 | -65.3 | 179 | 0 | 0 | 0 | 112 | | |
| 473 | N | 38.8 | Very low | 44.4 | Very low | 165 Ų | 165 | 140.3 Ų | 140.3 | 88% | 0.882 | 79% | 0.789 | S | S | * | * | | | trans | -66 | 157.7 | 173.6 | -71.8 | 3.3 | 0 | 0 | 0 | 115.4 | | |
| 474 | G | 37.5 | Very low | 44.9 | Very low | 70 Ų | 70 | 136.4 Ų | 136.4 | 72% | 0.722 | 78% | 0.779 | S | S | * | * | | | trans | 179.3 | 101.5 | 160.2 | 0 | 0 | 0 | 0 | 0 | 115.9 | | |
| 475 | N | 37.1 | Very low | 45.5 | Very low | 168 Ų | 168 | 140.4 Ų | 140.4 | 90% | 0.898 | 79% | 0.785 | S | S | * | * | | | trans | 39.6 | 105.8 | 155.3 | -59.2 | 11.2 | 0 | 0 | 0 | 120.5 | | |
| 476 | S | 46.9 | Very low | 45.4 | Very low | 93 Ų | 93 | 136.4 Ų | 136.4 | 65% | 0.65 | 77% | 0.77 | S | S | * | * | | | | -180 | 122.4 | 114.1 | -176.4 | 0 | 0 | 0 | 0 | 111.1 | E478 | S476-E478 PolarHBondContact O-N 3.49Å; S476-E478 VanDerWaalsContact O-N 3.15Å |
| 477 | S | 47.6 | Very low | 45.7 | Very low | 121 Ų | 121 | 138.1 Ų | 138.1 | 85% | 0.846 | 77% | 0.769 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -78.6 | 13.8 | -173.3 | 42 | 0 | 0 | 0 | 0 | 115.2 | | |
| 478 | E | 47.7 | Very low | 46 | Very low | 160 Ų | 160 | 137.1 Ų | 137.1 | 75% | 0.748 | 77% | 0.774 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -104.6 | -23.8 | -175.1 | -161 | 170.1 | -173.5 | 0 | 0 | 113.6 | S476 A480 | S476-E478 PolarHBondContact O-N 3.49Å; S476-E478 VanDerWaalsContact O-N 3.15Å; E478-A480 VanDerWaalsContact C-N 3.34Å; E478-A480 PolarHBondContact O-N 3.22Å |
| 479 | A | 47.5 | Very low | 46 | Very low | 82 Ų | 82 | 134.2 Ų | 134.2 | 68% | 0.678 | 76% | 0.763 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -74.1 | -18.3 | -175 | 0 | 0 | 0 | 0 | 0 | 114.8 | | |
| 480 | A | 45.5 | Very low | 46.4 | Very low | 77 Ų | 77 | 139.9 Ų | 139.9 | 64% | 0.636 | 77% | 0.768 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -82.3 | -19.9 | -170.2 | 0 | 0 | 0 | 0 | 0 | 114.9 | E478 | E478-A480 VanDerWaalsContact C-N 3.34Å; E478-A480 PolarHBondContact O-N 3.22Å |
| 481 | I | 50.3 | Low | 46.7 | Very low | 141 Ų | 141 | 140.5 Ų | 140.5 | 72% | 0.723 | 77% | 0.77 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -80 | -18.4 | -173.9 | -60.1 | 178 | 0 | 0 | 0 | 112.3 | | |
| 482 | M | 53.6 | Low | 47.5 | Very low | 177 Ų | 177 | 136.7 Ų | 136.7 | 87% | 0.872 | 77% | 0.769 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -88.2 | -3.8 | -177.4 | -76.3 | -90.9 | 159.3 | 0 | 0 | 114.6 | | |
| 483 | A | 48.1 | Very low | 48.6 | Very low | 85 Ų | 85 | 140.3 Ų | 140.3 | 70% | 0.702 | 77% | 0.773 | S | S | * | * | S | Bend | trans | -94.8 | -2.2 | -166.4 | 0 | 0 | 0 | 0 | 0 | 115.9 | | |
| 484 | T | 51.8 | Low | 50.3 | Low | 115 Ų | 115 | 138.4 Ų | 138.4 | 71% | 0.706 | 77% | 0.767 | S | S | * | * | | | trans | -116.3 | 10.6 | -167.4 | 53.9 | 0 | 0 | 0 | 0 | 115.8 | D486 | T484-D486 VanDerWaalsContact C-N 3.27Å; T484-D486 PolarHBondContact O-N 2.92Å |
| 485 | Q | 51.3 | Low | 52.2 | Low | 197 Ų | 197 | 137.8 Ų | 137.8 | 92% | 0.921 | 75% | 0.747 | S | S | * | * | | | trans | -77.3 | 76.6 | 174.1 | -74.2 | -161.1 | -2.9 | 0 | 0 | 112.8 | | |
| 486 | D | 43.5 | Very low | 54.3 | Low | 106 Ų | 106 | 133.2 Ų | 133.2 | 57% | 0.567 | 73% | 0.726 | S | S | * | * | | | trans | -71.9 | 128.4 | 174.7 | -158.2 | 45.3 | 0 | 0 | 0 | 111.9 | T484 S488 | T484-D486 VanDerWaalsContact C-N 3.27Å; T484-D486 PolarHBondContact O-N 2.92Å; D486-S488 PolarHBondContact O-N 3.06Å |
| 487 | M | 48.5 | Very low | 55.7 | Low | 132 Ų | 132 | 135 Ų | 135 | 65% | 0.65 | 72% | 0.724 | S | S | * | * | | | trans | 54.4 | 21.3 | 149.3 | -56.1 | -59.3 | 169.5 | 0 | 0 | 122.2 | R489 | M487-R489 VanDerWaalsContact C-N 3.31Å; M487-R489 PolarHBondContact O-N 3.15Å |
| 488 | S | 48.4 | Very low | 57.2 | Low | 129 Ų | 129 | 135.1 Ų | 135.1 | 90% | 0.902 | 72% | 0.72 | S | S | * | * | | | trans | -77.9 | 76.1 | 168.5 | -76.9 | 0 | 0 | 0 | 0 | 113.7 | D486 | D486-S488 PolarHBondContact O-N 3.06Š|
| 489 | R | 44.9 | Very low | 58.7 | Low | 194 Ų | 194 | 132 Ų | 132 | 73% | 0.732 | 71% | 0.708 | S | S | * | * | | | trans | -54.7 | 136.2 | 173.8 | -81.9 | 174.6 | -81.2 | -174.3 | -4.8 | 113.7 | M487 | M487-R489 VanDerWaalsContact C-N 3.31Å; M487-R489 PolarHBondContact O-N 3.15Å |
| 490 | R | 48.7 | Very low | 60.6 | Low | 225 Ų | 225 | 130 Ų | 130 | 85% | 0.849 | 68% | 0.684 | S | S | * | * | | | trans | 69.7 | 70 | 141.7 | -58.9 | 167.6 | -176.9 | -163.4 | 0.6 | 120 | | |
| 491 | K | 50.1 | Low | 62.9 | Low | 196 Ų | 196 | 131 Ų | 131 | 85% | 0.852 | 68% | 0.679 | S | S | * | * | | | | -156.2 | 132.3 | 128 | -147.1 | 79.6 | 173.7 | -169.7 | 0 | 109.7 | R493 | K491-R493 PolarHBondContact O-N 3.36Š|
| 492 | G | 62.1 | Low | 64.9 | Low | 78 Ų | 78 | 130.1 Ų | 130.1 | 80% | 0.804 | 67% | 0.672 | S | S | * | * | | | trans | -69.6 | 92.9 | 172.8 | 0 | 0 | 0 | 0 | 0 | 109.8 | V494 | G492-V494 PolarHBondContact O-N 3.46Š|
| 493 | R | 71.4 | Confident | 66.8 | Low | 235 Ų | 235 | 124.3 Ų | 124.3 | 89% | 0.887 | 65% | 0.652 | S | S | * | * | P | Polyproline II helix | trans | -66.7 | 123.9 | 170.1 | -60 | -171.2 | -165.1 | -99.1 | 4.6 | 107.3 | K491 L495 | K491-R493 PolarHBondContact O-N 3.36Å; R493-L495 PolarHBondContact O-N 3.35Å |
| 494 | V | 74.7 | Confident | 69.1 | Low | 126 Ų | 126 | 123.2 Ų | 123.2 | 76% | 0.764 | 63% | 0.63 | S | S | * | * | P | Polyproline II helix | trans | -62.3 | 124.1 | 172.1 | 178.5 | 0 | 0 | 0 | 0 | 106.9 | G492 | G492-V494 PolarHBondContact O-N 3.46Š|
| 495 | L | 77.4 | Confident | 71.1 | Confident | 57 Ų | 57 | 122.8 Ų | 122.8 | 30% | 0.298 | 62% | 0.615 | S | S | . | * | P | Polyproline II helix | trans | -62.6 | 128.2 | 177.8 | -169.7 | 66 | 0 | 0 | 0 | 108.4 | R493 L499 K500 Y504 | R493-L495 PolarHBondContact O-N 3.35Å; L495-L499 HydrophobicContact CD1-CB 3.91Å; L495-L499 HydrophobicContact CD1-CD1 4.09Å; L495-L499 HydrophobicContact CD2-CB 4.21Å; L495-L499 VanDerWaalsContact CD2-O 3.3Å; L495-L499 WeakPolarHBondContact CD2-O 3.37Å; L495-L499 HydrophobicContact CG-CB 3.89Å; L495-K500 HydrophobicContact CD2-CG 4.25Å; L495-K500 HydrophobicContact CG-CG 4.48Å; L495-K500 WeakPolarHBondContact O-CE 3.49Å; L495-Y504 HydrophobicContact CB-CE2 4.47Å; L495-Y504 HydrophobicContact CD2-CD2 3.44Å; L495-Y504 VanDerWaalsContact CD2-CD2 3.44Å; L495-Y504 HydrophobicContact CD2-CE2 3.68Å; L495-Y504 HydrophobicContact CD2-CG 4Å |
| 496 | P | 79.9 | Confident | 73.3 | Confident | 72 Ų | 72 | 116.5 Ų | 116.5 | 47% | 0.468 | 59% | 0.586 | S | S | . | * | P | Polyproline II helix | trans | -52.7 | 145.9 | 174.8 | -27.1 | 35.4 | 0 | 0 | 0 | 111.5 | T498 L499 | P496-T498 PolarHBondContact O-N 3.1Å; P496-T498 VanDerWaalsContact O-N 3.16Å; P496-L499 HydrophobicContact CG-CD1 4.45Å; P496-L499 PolarHBondContact O-N 2.86Å |
| 497 | E | 77.4 | Confident | 75.8 | Confident | 130 Ų | 130 | 119.2 Ų | 119.2 | 61% | 0.607 | 59% | 0.588 | S | S | * | * | G | 310 helix | trans | -57.2 | -34.7 | -176.9 | -155.3 | 64.9 | -143 | 0 | 0 | 112.2 | L499 K500 | E497-L499 PolarHBondContact O-N 3.48Å; E497-L499 VanDerWaalsContact O-N 3.11Å; E497-K500 PolarHBondContact O-N 2.84Å; E497-K500 VanDerWaalsContact O-N 3.12Å; E497-K500 WeakPolarHBondContact OE1-CD 3.47Å; E497-K500 IonicContact OE1-NZ 2.64Å; E497-K500 WeakPolarHBondContact OE2-CE 3.45Å; E497-K500 IonicContact OE2-NZ 3.18Å; E497-K500 PolarHBondContact OE2-NZ 3.08Å |
| 498 | T | 77.7 | Confident | 78.1 | Confident | 124 Ų | 124 | 117.6 Ų | 117.6 | 76% | 0.761 | 58% | 0.575 | S | S | * | * | G | 310 helix | trans | -65.1 | -7.6 | 177.4 | 54.1 | 0 | 0 | 0 | 0 | 115.2 | P496 | P496-T498 PolarHBondContact O-N 3.1Å; P496-T498 VanDerWaalsContact O-N 3.16Å |
| 499 | L | 79.3 | Confident | 80.5 | Confident | 94 Ų | 94 | 117.4 Ų | 117.4 | 49% | 0.492 | 55% | 0.554 | S | S | . | * | G | 310 helix | trans | -118.3 | 8.4 | 177.2 | -61 | 177.4 | 0 | 0 | 0 | 112.4 | L495 P496 E497 D501 | L495-L499 HydrophobicContact CD1-CB 3.91Å; L495-L499 HydrophobicContact CD1-CD1 4.09Å; L495-L499 HydrophobicContact CD2-CB 4.21Å; L495-L499 VanDerWaalsContact CD2-O 3.3Å; L495-L499 WeakPolarHBondContact CD2-O 3.37Å; L495-L499 HydrophobicContact CG-CB 3.89Å; P496-L499 HydrophobicContact CG-CD1 4.45Å; P496-L499 PolarHBondContact O-N 2.86Å; E497-L499 PolarHBondContact O-N 3.48Å; E497-L499 VanDerWaalsContact O-N 3.11Å; L499-D501 VanDerWaalsContact C-N 3.27Å; L499-D501 PolarHBondContact O-N 2.95Å |
| 500 | K | 88.9 | Confident | 83 | Confident | 41 Ų | 41 | 114.1 Ų | 114.1 | 18% | 0.178 | 55% | 0.545 | C | S | . | . | | | trans | -90 | 60.1 | 177.5 | -65.2 | -176.4 | -165.9 | 165.4 | 0 | 111.4 | L495 E497 Y504 W505 | L495-K500 HydrophobicContact CD2-CG 4.25Å; L495-K500 HydrophobicContact CG-CG 4.48Å; L495-K500 WeakPolarHBondContact O-CE 3.49Å; E497-K500 PolarHBondContact O-N 2.84Å; E497-K500 VanDerWaalsContact O-N 3.12Å; E497-K500 WeakPolarHBondContact OE1-CD 3.47Å; E497-K500 IonicContact OE1-NZ 2.64Å; E497-K500 WeakPolarHBondContact OE2-CE 3.45Å; E497-K500 IonicContact OE2-NZ 3.18Å; E497-K500 PolarHBondContact OE2-NZ 3.08Å; K500-Y504 HydrophobicContact CB-CD1 3.9Å; K500-Y504 HydrophobicContact CB-CE1 4.35Å; K500-Y504 HydrophobicContact CD-CD1 4.48Å; K500-Y504 HydrophobicContact CD-CE1 4.11Å; K500-Y504 HydrophobicContact CG-CD1 3.93Å; K500-Y504 HydrophobicContact CG-CE1 3.94Å; K500-W505 HydrophobicContact CB-CZ2 4.13Å; K500-W505 HydrophobicContact CD-CH2 4.26Å; K500-W505 HydrophobicContact CD-CZ2 3.77Å; K500-W505 VanDerWaalsContact O-CD1 3.29Å; K500-W505 PolarHBondContact O-NE1 2.83Å |
| 501 | D | 92.3 | Very high | 85.4 | Confident | 98 Ų | 98 | 108 Ų | 108 | 52% | 0.524 | 53% | 0.53 | S | S | . | . | | | trans | -63.8 | 167.5 | 177.6 | -45.5 | -33.6 | 0 | 0 | 0 | 111.7 | L499 A503 Y504 W505 | L499-D501 VanDerWaalsContact C-N 3.27Å; L499-D501 PolarHBondContact O-N 2.95Å; D501-A503 PolarHBondContact O-N 3.48Å; D501-A503 VanDerWaalsContact O-N 3.13Å; D501-Y504 WeakPolarHBondContact O-CA 3.49Å; D501-Y504 VanDerWaalsContact O-CB 3.3Å; D501-Y504 WeakPolarHBondContact O-CB 3.45Å; D501-Y504 PolarHBondContact O-N 3.47Å; D501-W505 PolarHBondContact O-N 2.82Å |
| 502 | E | 93.5 | Very high | 87.7 | Confident | 121 Ų | 121 | 102.6 Ų | 102.6 | 57% | 0.565 | 51% | 0.51 | S | S | * | . | H | α-helix | trans | -55.9 | -34.6 | 176.6 | -173.4 | 55.9 | -143.5 | 0 | 0 | 112 | Y504 W505 E506 R509 | E502-Y504 VanDerWaalsContact C-N 3.27Å; E502-Y504 PolarHBondContact O-N 3.37Å; E502-W505 PolarHBondContact O-N 3.45Å; E502-W505 VanDerWaalsContact O-N 3.11Å; E502-E506 WeakPolarHBondContact O-CB 3.27Å; E502-E506 PolarHBondContact O-N 2.98Å; E502-R509 IonicContact OE1-CZ 2.73Å; E502-R509 IonicContact OE1-NH2 3.91Å; E502-R509 PolarHBondContact OE1-NH2 3.39Å |
| 503 | A | 93 | Very high | 89.4 | Confident | 55 Ų | 55 | 103.9 Ų | 103.9 | 46% | 0.455 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -62.3 | -29.7 | 174.1 | 0 | 0 | 0 | 0 | 0 | 113.5 | D501 R507 | D501-A503 PolarHBondContact O-N 3.48Å; D501-A503 VanDerWaalsContact O-N 3.13Å; A503-R507 WeakPolarHBondContact O-CG 3.28Å; A503-R507 PolarHBondContact O-N 2.93Å; A503-R507 PolarHBondContact O-NE 3.03Å |
| 504 | Y | 95.7 | Very high | 90.7 | Very high | 62 Ų | 62 | 95.1 Ų | 95.1 | 24% | 0.243 | 47% | 0.473 | C | S | . | . | H | α-helix | trans | -70.9 | -46.1 | 170.4 | 170.4 | -92.9 | 0 | 0 | 0 | 111.1 | L495 K500 D501 E502 E506 R507 R508 | L495-Y504 HydrophobicContact CB-CE2 4.47Å; L495-Y504 HydrophobicContact CD2-CD2 3.44Å; L495-Y504 VanDerWaalsContact CD2-CD2 3.44Å; L495-Y504 HydrophobicContact CD2-CE2 3.68Å; L495-Y504 HydrophobicContact CD2-CG 4Å; K500-Y504 HydrophobicContact CB-CD1 3.9Å; K500-Y504 HydrophobicContact CB-CE1 4.35Å; K500-Y504 HydrophobicContact CD-CD1 4.48Å; K500-Y504 HydrophobicContact CD-CE1 4.11Å; K500-Y504 HydrophobicContact CG-CD1 3.93Å; K500-Y504 HydrophobicContact CG-CE1 3.94Å; D501-Y504 WeakPolarHBondContact O-CA 3.49Å; D501-Y504 VanDerWaalsContact O-CB 3.3Å; D501-Y504 WeakPolarHBondContact O-CB 3.45Å; D501-Y504 PolarHBondContact O-N 3.47Å; E502-Y504 VanDerWaalsContact C-N 3.27Å; E502-Y504 PolarHBondContact O-N 3.37Å; Y504-E506 PolarHBondContact O-N 2.94Å; Y504-R507 PolarHBondContact O-N 2.87Å; Y504-R508 WeakPolarHBondContact O-CB 3.28Å; Y504-R508 PolarHBondContact O-N 3.04Å |
| 505 | W | 94.7 | Very high | 91.8 | Very high | 106 Ų | 106 | 90.9 Ų | 90.9 | 40% | 0.402 | 45% | 0.451 | S | S | . | . | H | α-helix | trans | -64.2 | -40.3 | 179.7 | -68 | 113.8 | 0 | 0 | 0 | 112.8 | K500 D501 E502 R508 R509 | K500-W505 HydrophobicContact CB-CZ2 4.13Å; K500-W505 HydrophobicContact CD-CH2 4.26Å; K500-W505 HydrophobicContact CD-CZ2 3.77Å; K500-W505 VanDerWaalsContact O-CD1 3.29Å; K500-W505 PolarHBondContact O-NE1 2.83Å; D501-W505 PolarHBondContact O-N 2.82Å; E502-W505 PolarHBondContact O-N 3.45Å; E502-W505 VanDerWaalsContact O-N 3.11Å; W505-R508 WeakPolarHBondContact O-CB 3.37Å; W505-R508 PolarHBondContact O-N 2.96Å; W505-R509 WeakPolarHBondContact O-CB 3.49Å; W505-R509 PolarHBondContact O-N 3.11Å |
| 506 | E | 96.7 | Very high | 92.8 | Very high | 65 Ų | 65 | 94.6 Ų | 94.6 | 30% | 0.304 | 47% | 0.465 | S | S | . | . | H | α-helix | trans | -59.3 | -49.1 | 173.3 | -172 | 59.3 | -113.2 | 0 | 0 | 111.7 | E502 Y504 R508 R509 K510 | E502-E506 WeakPolarHBondContact O-CB 3.27Å; E502-E506 PolarHBondContact O-N 2.98Å; Y504-E506 PolarHBondContact O-N 2.94Å; E506-R508 VanDerWaalsContact C-N 3.3Å; E506-R508 PolarHBondContact O-N 3.12Å; E506-R509 PolarHBondContact O-N 3.04Å; E506-R509 IonicContact OE1-NH1 3.99Å; E506-R509 PolarHBondContact OE1-NH1 2.94Å; E506-R509 IonicContact OE2-CZ 2.64Å; E506-R509 IonicContact OE2-NH1 3.62Å; E506-R509 PolarHBondContact OE2-NH1 3.23Å; E506-K510 HydrophobicContact CG-CD 4.26Å; E506-K510 WeakPolarHBondContact O-CG 3.38Å; E506-K510 PolarHBondContact O-N 3.26Å; E506-K510 WeakPolarHBondContact OE1-CE 3.46Å; E506-K510 IonicContact OE1-NZ 3.86Å |
| 507 | R | 96.2 | Very high | 93.7 | Very high | 164 Ų | 164 | 98.2 Ų | 98.2 | 62% | 0.619 | 47% | 0.469 | S | S | * | . | H | α-helix | trans | -59.6 | -40.8 | 174.6 | -75 | -176.9 | -65.7 | -119.4 | 0.5 | 111.8 | A503 Y504 N511 | A503-R507 WeakPolarHBondContact O-CG 3.28Å; A503-R507 PolarHBondContact O-N 2.93Å; A503-R507 PolarHBondContact O-NE 3.03Å; Y504-R507 PolarHBondContact O-N 2.87Å; R507-N511 WeakPolarHBondContact O-CB 3.37Å; R507-N511 PolarHBondContact O-N 3.2Å |
| 508 | R | 97.5 | Very high | 94.7 | Very high | 97 Ų | 97 | 95.2 Ų | 95.2 | 37% | 0.366 | 46% | 0.463 | S | S | . | . | H | α-helix | trans | -65.5 | -39.7 | 178.3 | -169.9 | 72.9 | -165.1 | 81.8 | 6.6 | 111.7 | Y504 W505 E506 N512 | Y504-R508 WeakPolarHBondContact O-CB 3.28Å; Y504-R508 PolarHBondContact O-N 3.04Å; W505-R508 WeakPolarHBondContact O-CB 3.37Å; W505-R508 PolarHBondContact O-N 2.96Å; E506-R508 VanDerWaalsContact C-N 3.3Å; E506-R508 PolarHBondContact O-N 3.12Å; R508-N512 PolarHBondContact NH1-ND2 3.48Å; R508-N512 PolarHBondContact NH1-OD1 2.86Å; R508-N512 PolarHBondContact NH2-OD1 3.42Å; R508-N512 VanDerWaalsContact NH2-OD1 3.17Å; R508-N512 PolarHBondContact O-N 3.39Å; R508-N512 VanDerWaalsContact O-N 3.07Å; R508-N512 PolarHBondContact O-ND2 2.76Å |
| 509 | R | 98 | Very high | 95.7 | Very high | 125 Ų | 125 | 97.4 Ų | 97.4 | 47% | 0.472 | 46% | 0.457 | S | S | . | . | H | α-helix | trans | -65 | -53 | 176.7 | -157.2 | -176.5 | -55.6 | 120 | -1.1 | 110.9 | E502 W505 E506 N511 N512 E513 | E502-R509 IonicContact OE1-CZ 2.73Å; E502-R509 IonicContact OE1-NH2 3.91Å; E502-R509 PolarHBondContact OE1-NH2 3.39Å; W505-R509 WeakPolarHBondContact O-CB 3.49Å; W505-R509 PolarHBondContact O-N 3.11Å; E506-R509 PolarHBondContact O-N 3.04Å; E506-R509 IonicContact OE1-NH1 3.99Å; E506-R509 PolarHBondContact OE1-NH1 2.94Å; E506-R509 IonicContact OE2-CZ 2.64Å; E506-R509 IonicContact OE2-NH1 3.62Å; E506-R509 PolarHBondContact OE2-NH1 3.23Å; R509-N511 VanDerWaalsContact C-N 3.35Å; R509-N511 PolarHBondContact O-N 2.92Å; R509-N512 WeakPolarHBondContact O-CB 3.41Å; R509-N512 PolarHBondContact O-N 3.41Å; R509-N512 VanDerWaalsContact O-N 3.16Å; R509-E513 PolarHBondContact O-N 2.96Å |
| 510 | K | 98.1 | Very high | 96.6 | Very high | 125 Ų | 125 | 96.6 Ų | 96.6 | 54% | 0.543 | 45% | 0.454 | S | S | . | . | H | α-helix | trans | -58 | -41.5 | 175.9 | -72.3 | 175.6 | 176.1 | 170 | 0 | 112.8 | E506 E513 A514 | E506-K510 HydrophobicContact CG-CD 4.26Å; E506-K510 WeakPolarHBondContact O-CG 3.38Å; E506-K510 PolarHBondContact O-N 3.26Å; E506-K510 WeakPolarHBondContact OE1-CE 3.46Å; E506-K510 IonicContact OE1-NZ 3.86Å; K510-E513 PolarHBondContact O-N 3.06Å; K510-A514 WeakPolarHBondContact O-CB 3.45Å; K510-A514 PolarHBondContact O-N 3.1Å |
| 511 | N | 98.5 | Very high | 97.1 | Very high | 97 Ų | 97 | 97.7 Ų | 97.7 | 52% | 0.519 | 47% | 0.47 | S | S | . | . | H | α-helix | trans | -66.9 | -39.5 | 176.1 | 177.9 | -100.4 | 0 | 0 | 0 | 112.9 | R507 R509 A514 A515 | R507-N511 WeakPolarHBondContact O-CB 3.37Å; R507-N511 PolarHBondContact O-N 3.2Å; R509-N511 VanDerWaalsContact C-N 3.35Å; R509-N511 PolarHBondContact O-N 2.92Å; N511-A514 PolarHBondContact O-N 2.97Å; N511-A515 VanDerWaalsContact O-CB 3.22Å; N511-A515 WeakPolarHBondContact O-CB 3.47Å; N511-A515 PolarHBondContact O-N 2.75Å |
| 512 | N | 98.4 | Very high | 97.4 | Very high | 83 Ų | 83 | 100.4 Ų | 100.4 | 44% | 0.444 | 47% | 0.473 | S | S | . | . | H | α-helix | trans | -62.6 | -42.1 | 173.8 | -81.7 | -25.7 | 0 | 0 | 0 | 111.8 | R508 R509 A515 K516 | R508-N512 PolarHBondContact NH1-ND2 3.48Å; R508-N512 PolarHBondContact NH1-OD1 2.86Å; R508-N512 PolarHBondContact NH2-OD1 3.42Å; R508-N512 VanDerWaalsContact NH2-OD1 3.17Å; R508-N512 PolarHBondContact O-N 3.39Å; R508-N512 VanDerWaalsContact O-N 3.07Å; R508-N512 PolarHBondContact O-ND2 2.76Å; R509-N512 WeakPolarHBondContact O-CB 3.41Å; R509-N512 PolarHBondContact O-N 3.41Å; R509-N512 VanDerWaalsContact O-N 3.16Å; N512-A515 PolarHBondContact O-N 3.45Å; N512-K516 WeakPolarHBondContact O-CB 3.41Å; N512-K516 PolarHBondContact O-N 3.46Å |
| 513 | E | 98.3 | Very high | 97.6 | Very high | 104 Ų | 104 | 102.1 Ų | 102.1 | 49% | 0.486 | 47% | 0.474 | S | S | . | . | H | α-helix | trans | -64.6 | -46.6 | 176.5 | -165.2 | -155.9 | 131.5 | 0 | 0 | 111.8 | R509 K510 A515 K516 R517 | R509-E513 PolarHBondContact O-N 2.96Å; K510-E513 PolarHBondContact O-N 3.06Å; E513-A515 VanDerWaalsContact C-N 3.35Å; E513-A515 PolarHBondContact O-N 3.46Å; E513-K516 WeakPolarHBondContact O-CB 3.43Å; E513-K516 PolarHBondContact O-N 3.2Å; E513-R517 WeakPolarHBondContact O-CB 3.38Å; E513-R517 PolarHBondContact O-N 3.02Å; E513-R517 IonicContact OE1-CZ 3.88Å; E513-R517 IonicContact OE1-NH1 2.96Å; E513-R517 PolarHBondContact OE1-NH1 2.78Å; E513-R517 IonicContact OE1-NH2 3.96Å; E513-R517 PolarHBondContact OE1-NH2 3.46Å |
| 514 | A | 98.2 | Very high | 97.8 | Very high | 52 Ų | 52 | 102.3 Ų | 102.3 | 43% | 0.43 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -61.7 | -40.5 | 175.6 | 0 | 0 | 0 | 0 | 0 | 112.3 | K510 N511 R517 S518 | K510-A514 WeakPolarHBondContact O-CB 3.45Å; K510-A514 PolarHBondContact O-N 3.1Å; N511-A514 PolarHBondContact O-N 2.97Å; A514-R517 PolarHBondContact O-N 3.41Å; A514-S518 VanDerWaalsContact O-CB 3.26Å; A514-S518 WeakPolarHBondContact O-CB 3.39Å; A514-S518 PolarHBondContact O-N 2.9Å |
| 515 | A | 98.4 | Very high | 97.9 | Very high | 37 Ų | 37 | 105.9 Ų | 105.9 | 31% | 0.306 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -66.7 | -35.7 | 175.4 | 0 | 0 | 0 | 0 | 0 | 112.3 | N511 N512 E513 R519 | N511-A515 VanDerWaalsContact O-CB 3.22Å; N511-A515 WeakPolarHBondContact O-CB 3.47Å; N511-A515 PolarHBondContact O-N 2.75Å; N512-A515 PolarHBondContact O-N 3.45Å; E513-A515 VanDerWaalsContact C-N 3.35Å; E513-A515 PolarHBondContact O-N 3.46Å; A515-R519 VanDerWaalsContact O-CG 3.27Å; A515-R519 WeakPolarHBondContact O-CG 3.16Å; A515-R519 PolarHBondContact O-N 3.26Å; A515-R519 VanDerWaalsContact O-N 3.11Å |
| 516 | K | 98.5 | Very high | 98.1 | Very high | 135 Ų | 135 | 105.9 Ų | 105.9 | 59% | 0.587 | 50% | 0.497 | S | S | * | . | H | α-helix | trans | -64.2 | -55.6 | 170.9 | -171.9 | -169.6 | 171.8 | -170.2 | 0 | 110.3 | N512 E513 S518 R519 D520 | N512-K516 WeakPolarHBondContact O-CB 3.41Å; N512-K516 PolarHBondContact O-N 3.46Å; E513-K516 WeakPolarHBondContact O-CB 3.43Å; E513-K516 PolarHBondContact O-N 3.2Å; K516-S518 PolarHBondContact O-N 3.1Å; K516-R519 WeakPolarHBondContact O-CB 3.25Å; K516-R519 PolarHBondContact O-N 2.96Å; K516-D520 WeakPolarHBondContact CE-OD2 3.48Å; K516-D520 WeakPolarHBondContact CG-OD2 3.26Å; K516-D520 VanDerWaalsContact O-CG 3.28Å; K516-D520 PolarHBondContact O-N 3.45Å |
| 517 | R | 98.2 | Very high | 98.2 | Very high | 147 Ų | 147 | 107.8 Ų | 107.8 | 56% | 0.555 | 51% | 0.509 | S | S | * | . | H | α-helix | trans | -54.6 | -39 | 178.2 | -174 | -179.1 | -76.6 | 102.8 | -2.3 | 112.4 | E513 A514 A521 | E513-R517 WeakPolarHBondContact O-CB 3.38Å; E513-R517 PolarHBondContact O-N 3.02Å; E513-R517 IonicContact OE1-CZ 3.88Å; E513-R517 IonicContact OE1-NH1 2.96Å; E513-R517 PolarHBondContact OE1-NH1 2.78Å; E513-R517 IonicContact OE1-NH2 3.96Å; E513-R517 PolarHBondContact OE1-NH2 3.46Å; A514-R517 PolarHBondContact O-N 3.41Å; R517-A521 VanDerWaalsContact O-CB 3.25Å; R517-A521 WeakPolarHBondContact O-CB 3.49Å; R517-A521 PolarHBondContact O-N 3.34Å |
| 518 | S | 98.7 | Very high | 98.3 | Very high | 68 Ų | 68 | 105 Ų | 105 | 48% | 0.476 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -67.7 | -37.9 | 175.9 | 179.1 | 0 | 0 | 0 | 0 | 113.4 | A514 K516 R522 | A514-S518 VanDerWaalsContact O-CB 3.26Å; A514-S518 WeakPolarHBondContact O-CB 3.39Å; A514-S518 PolarHBondContact O-N 2.9Å; K516-S518 PolarHBondContact O-N 3.1Å; S518-R522 WeakPolarHBondContact O-CB 3.48Å; S518-R522 PolarHBondContact O-N 3.46Å; S518-R522 VanDerWaalsContact O-N 3.13Å |
| 519 | R | 98.7 | Very high | 98.3 | Very high | 170 Ų | 170 | 105 Ų | 105 | 64% | 0.642 | 51% | 0.509 | S | S | * | . | H | α-helix | trans | -68.6 | -43.6 | 173.5 | -73.9 | 167.9 | 176 | 177.5 | -1.1 | 111.5 | A515 K516 R522 R523 | A515-R519 VanDerWaalsContact O-CG 3.27Å; A515-R519 WeakPolarHBondContact O-CG 3.16Å; A515-R519 PolarHBondContact O-N 3.26Å; A515-R519 VanDerWaalsContact O-N 3.11Å; K516-R519 WeakPolarHBondContact O-CB 3.25Å; K516-R519 PolarHBondContact O-N 2.96Å; R519-R522 PolarHBondContact O-N 2.8Å; R519-R523 WeakPolarHBondContact O-CG 3.41Å; R519-R523 PolarHBondContact O-N 3.12Å |
| 520 | D | 98.5 | Very high | 98.3 | Very high | 77 Ų | 77 | 101.8 Ų | 101.8 | 41% | 0.412 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -66.2 | -42.4 | -179.2 | -61.8 | -12.9 | 0 | 0 | 0 | 110.5 | K516 R522 R523 A524 | K516-D520 WeakPolarHBondContact CE-OD2 3.48Å; K516-D520 WeakPolarHBondContact CG-OD2 3.26Å; K516-D520 VanDerWaalsContact O-CG 3.28Å; K516-D520 PolarHBondContact O-N 3.45Å; D520-R522 VanDerWaalsContact C-N 3.34Å; D520-R522 PolarHBondContact O-N 2.94Å; D520-R523 PolarHBondContact O-N 3.36Å; D520-A524 WeakPolarHBondContact O-CB 3.41Å; D520-A524 PolarHBondContact O-N 3.23Å |
| 521 | A | 98.5 | Very high | 98.3 | Very high | 64 Ų | 64 | 100.3 Ų | 100.3 | 53% | 0.529 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -64 | -34.7 | 173.7 | 0 | 0 | 0 | 0 | 0 | 113.3 | R517 K525 | R517-A521 VanDerWaalsContact O-CB 3.25Å; R517-A521 WeakPolarHBondContact O-CB 3.49Å; R517-A521 PolarHBondContact O-N 3.34Å; A521-K525 PolarHBondContact O-N 3.13Å |
| 522 | R | 98.5 | Very high | 98.3 | Very high | 154 Ų | 154 | 102.7 Ų | 102.7 | 58% | 0.581 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -67.8 | -47.7 | 173.9 | -169 | -169.2 | -58.6 | -176.8 | -2 | 111.3 | S518 R519 D520 A524 K525 E526 | S518-R522 WeakPolarHBondContact O-CB 3.48Å; S518-R522 PolarHBondContact O-N 3.46Å; S518-R522 VanDerWaalsContact O-N 3.13Å; R519-R522 PolarHBondContact O-N 2.8Å; D520-R522 VanDerWaalsContact C-N 3.34Å; D520-R522 PolarHBondContact O-N 2.94Å; R522-A524 PolarHBondContact O-N 3.22Å; R522-K525 WeakPolarHBondContact O-CB 3.31Å; R522-K525 PolarHBondContact O-N 2.92Å; R522-K525 VanDerWaalsContact O-N 3.13Å; R522-E526 WeakPolarHBondContact CD-OE1 3.3Å; R522-E526 HydrophobicContact CG-CG 4.46Å; R522-E526 VanDerWaalsContact CG-OE1 3.28Å; R522-E526 WeakPolarHBondContact CG-OE1 3.5Å; R522-E526 WeakPolarHBondContact O-CG 3.33Å; R522-E526 PolarHBondContact O-N 3.44Å |
| 523 | R | 98 | Very high | 98.3 | Very high | 158 Ų | 158 | 100.6 Ų | 100.6 | 60% | 0.596 | 51% | 0.507 | S | S | * | . | H | α-helix | trans | -57.3 | -48.2 | 176.7 | -73.1 | 170.4 | 179.4 | -91.4 | -0.3 | 111.3 | R519 D520 K525 E526 D527 | R519-R523 WeakPolarHBondContact O-CG 3.41Å; R519-R523 PolarHBondContact O-N 3.12Å; D520-R523 PolarHBondContact O-N 3.36Å; R523-K525 PolarHBondContact O-N 3.47Å; R523-E526 CarbonylContact O-C 3.57Å; R523-E526 WeakPolarHBondContact O-CA 3.34Å; R523-E526 WeakPolarHBondContact O-CB 3.28Å; R523-E526 PolarHBondContact O-N 3.34Å; R523-D527 WeakPolarHBondContact O-CB 3.49Å; R523-D527 VanDerWaalsContact O-CG 3.23Å; R523-D527 PolarHBondContact O-N 3.03Å |
| 524 | A | 98 | Very high | 98.3 | Very high | 59 Ų | 59 | 98.2 Ų | 98.2 | 49% | 0.488 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -58 | -35.6 | 177.2 | 0 | 0 | 0 | 0 | 0 | 113 | D520 R522 E528 | D520-A524 WeakPolarHBondContact O-CB 3.41Å; D520-A524 PolarHBondContact O-N 3.23Å; R522-A524 PolarHBondContact O-N 3.22Å; A524-E528 PolarHBondContact O-N 2.95Å |
| 525 | K | 97.9 | Very high | 98.3 | Very high | 137 Ų | 137 | 100.7 Ų | 100.7 | 60% | 0.596 | 51% | 0.51 | S | S | * | . | H | α-helix | trans | -72.3 | -39.7 | 173.6 | -174.3 | 177.5 | -179.8 | 179 | 0 | 112.6 | A521 R522 R523 D527 E528 I529 | A521-K525 PolarHBondContact O-N 3.13Å; R522-K525 WeakPolarHBondContact O-CB 3.31Å; R522-K525 PolarHBondContact O-N 2.92Å; R522-K525 VanDerWaalsContact O-N 3.13Å; R523-K525 PolarHBondContact O-N 3.47Å; K525-D527 VanDerWaalsContact C-N 3.32Å; K525-E528 PolarHBondContact O-N 3.33Å; K525-I529 HydrophobicContact CG-CD1 4.06Å; K525-I529 WeakPolarHBondContact O-CB 3.32Å; K525-I529 WeakPolarHBondContact O-CD1 3.12Å; K525-I529 VanDerWaalsContact O-CG1 3.23Å; K525-I529 WeakPolarHBondContact O-CG1 3.47Å; K525-I529 PolarHBondContact O-N 3.18Å |
| 526 | E | 98.1 | Very high | 98.3 | Very high | 106 Ų | 106 | 103.8 Ų | 103.8 | 50% | 0.495 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -61.5 | -42.3 | 173.7 | -70.1 | 162 | 178.6 | 0 | 0 | 110.5 | R522 R523 I529 A530 | R522-E526 WeakPolarHBondContact CD-OE1 3.3Å; R522-E526 HydrophobicContact CG-CG 4.46Å; R522-E526 VanDerWaalsContact CG-OE1 3.28Å; R522-E526 WeakPolarHBondContact CG-OE1 3.5Å; R522-E526 WeakPolarHBondContact O-CG 3.33Å; R522-E526 PolarHBondContact O-N 3.44Å; R523-E526 CarbonylContact O-C 3.57Å; R523-E526 WeakPolarHBondContact O-CA 3.34Å; R523-E526 WeakPolarHBondContact O-CB 3.28Å; R523-E526 PolarHBondContact O-N 3.34Å; E526-I529 PolarHBondContact O-N 2.8Å; E526-A530 WeakPolarHBondContact O-CB 3.45Å; E526-A530 PolarHBondContact O-N 3.44Å |
| 527 | D | 98.1 | Very high | 98.3 | Very high | 104 Ų | 104 | 103.9 Ų | 103.9 | 56% | 0.556 | 52% | 0.524 | S | S | * | . | H | α-helix | trans | -65.9 | -43.2 | 175.4 | -63.9 | -32.2 | 0 | 0 | 0 | 112 | R523 K525 I529 A530 V531 | R523-D527 WeakPolarHBondContact O-CB 3.49Å; R523-D527 VanDerWaalsContact O-CG 3.23Å; R523-D527 PolarHBondContact O-N 3.03Å; K525-D527 VanDerWaalsContact C-N 3.32Å; D527-I529 VanDerWaalsContact C-N 3.34Å; D527-I529 PolarHBondContact O-N 2.92Å; D527-A530 PolarHBondContact O-N 2.9Å; D527-V531 WeakPolarHBondContact O-CG2 3.49Å; D527-V531 PolarHBondContact O-N 3.2Å |
| 528 | E | 98.4 | Very high | 98.3 | Very high | 105 Ų | 105 | 103.4 Ų | 103.4 | 49% | 0.491 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -59.8 | -43.9 | 174.3 | -167.6 | -155.3 | 145.2 | 0 | 0 | 111.3 | A524 K525 V531 R532 | A524-E528 PolarHBondContact O-N 2.95Å; K525-E528 PolarHBondContact O-N 3.33Å; E528-V531 PolarHBondContact O-N 3.4Å; E528-R532 VanDerWaalsContact O-CB 3.3Å; E528-R532 WeakPolarHBondContact O-CB 3.23Å; E528-R532 PolarHBondContact O-N 3.27Å; E528-R532 IonicContact OE1-CZ 2.72Å; E528-R532 IonicContact OE1-NE 3.31Å; E528-R532 IonicContact OE1-NH2 3.1Å; E528-R532 PolarHBondContact OE1-NH2 3.13Å; E528-R532 VanDerWaalsContact OE1-NH2 3.1Å |
| 529 | I | 98 | Very high | 98.2 | Very high | 97 Ų | 97 | 105 Ų | 105 | 50% | 0.497 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -63.7 | -42.4 | 177.3 | -69.7 | 165.4 | 0 | 0 | 0 | 110.5 | K525 E526 D527 R532 A533 | K525-I529 HydrophobicContact CG-CD1 4.06Å; K525-I529 WeakPolarHBondContact O-CB 3.32Å; K525-I529 WeakPolarHBondContact O-CD1 3.12Å; K525-I529 VanDerWaalsContact O-CG1 3.23Å; K525-I529 WeakPolarHBondContact O-CG1 3.47Å; K525-I529 PolarHBondContact O-N 3.18Å; E526-I529 PolarHBondContact O-N 2.8Å; D527-I529 VanDerWaalsContact C-N 3.34Å; D527-I529 PolarHBondContact O-N 2.92Å; I529-R532 PolarHBondContact O-N 3.11Å; I529-A533 VanDerWaalsContact O-CB 3.32Å; I529-A533 WeakPolarHBondContact O-CB 3.44Å; I529-A533 PolarHBondContact O-N 3.42Å |
| 530 | A | 98.1 | Very high | 98.2 | Very high | 58 Ų | 58 | 100.3 Ų | 100.3 | 48% | 0.479 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -63.3 | -44.5 | 177.9 | 0 | 0 | 0 | 0 | 0 | 112.4 | E526 D527 A533 A534 | E526-A530 WeakPolarHBondContact O-CB 3.45Å; E526-A530 PolarHBondContact O-N 3.44Å; D527-A530 PolarHBondContact O-N 2.9Å; A530-A533 PolarHBondContact O-N 3.19Å; A530-A534 PolarHBondContact O-N 2.86Å |
| 531 | V | 98.2 | Very high | 98.2 | Very high | 94 Ų | 94 | 102.3 Ų | 102.3 | 57% | 0.57 | 52% | 0.524 | S | S | * | . | H | α-helix | trans | -63.8 | -44.7 | 175.5 | 172.5 | 0 | 0 | 0 | 0 | 111.1 | D527 E528 A533 A534 L535 | D527-V531 WeakPolarHBondContact O-CG2 3.49Å; D527-V531 PolarHBondContact O-N 3.2Å; E528-V531 PolarHBondContact O-N 3.4Å; V531-A533 PolarHBondContact O-N 2.88Å; V531-A534 PolarHBondContact O-N 2.98Å; V531-L535 HydrophobicContact CG1-CD1 4.18Å; V531-L535 WeakPolarHBondContact O-CG 3.38Å; V531-L535 PolarHBondContact O-N 3.15Å; V531-L535 VanDerWaalsContact O-N 3.1Å |
| 532 | R | 98.3 | Very high | 98.2 | Very high | 148 Ų | 148 | 105.4 Ų | 105.4 | 56% | 0.558 | 52% | 0.522 | S | S | * | . | H | α-helix | trans | -62 | -42.2 | 177.4 | -175.6 | -177 | -66.1 | -97.9 | 3.1 | 111.9 | E528 I529 L535 L536 | E528-R532 VanDerWaalsContact O-CB 3.3Å; E528-R532 WeakPolarHBondContact O-CB 3.23Å; E528-R532 PolarHBondContact O-N 3.27Å; E528-R532 IonicContact OE1-CZ 2.72Å; E528-R532 IonicContact OE1-NE 3.31Å; E528-R532 IonicContact OE1-NH2 3.1Å; E528-R532 PolarHBondContact OE1-NH2 3.13Å; E528-R532 VanDerWaalsContact OE1-NH2 3.1Å; I529-R532 PolarHBondContact O-N 3.11Å; R532-L535 PolarHBondContact O-N 3Å; R532-L536 HydrophobicContact CG-CD1 4.09Å; R532-L536 VanDerWaalsContact O-CG 3.31Å; R532-L536 WeakPolarHBondContact O-CG 3.39Å; R532-L536 PolarHBondContact O-N 2.73Å |
| 533 | A | 98.4 | Very high | 98.2 | Very high | 39 Ų | 39 | 101.3 Ų | 101.3 | 32% | 0.322 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -61.9 | -48.7 | 177.2 | 0 | 0 | 0 | 0 | 0 | 111.5 | I529 A530 V531 L535 L536 E537 | I529-A533 VanDerWaalsContact O-CB 3.32Å; I529-A533 WeakPolarHBondContact O-CB 3.44Å; I529-A533 PolarHBondContact O-N 3.42Å; A530-A533 PolarHBondContact O-N 3.19Å; V531-A533 PolarHBondContact O-N 2.88Å; A533-L535 VanDerWaalsContact C-N 3.32Å; A533-L535 PolarHBondContact O-N 3.41Å; A533-L536 PolarHBondContact O-N 2.72Å; A533-L536 VanDerWaalsContact O-N 3.15Å; A533-E537 WeakPolarHBondContact O-CG 3.44Å; A533-E537 PolarHBondContact O-N 3.39Å |
| 534 | A | 98.1 | Very high | 98.2 | Very high | 53 Ų | 53 | 102.2 Ų | 102.2 | 44% | 0.438 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -60 | -39.3 | 178.7 | 0 | 0 | 0 | 0 | 0 | 113 | A530 V531 E537 Q538 | A530-A534 PolarHBondContact O-N 2.86Å; V531-A534 PolarHBondContact O-N 2.98Å; A534-E537 PolarHBondContact O-N 3Å; A534-Q538 WeakPolarHBondContact O-CB 3.48Å; A534-Q538 PolarHBondContact O-N 3.21Å |
| 535 | L | 98.4 | Very high | 98.2 | Very high | 104 Ų | 104 | 104.9 Ų | 104.9 | 55% | 0.545 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -65.3 | -43.2 | 174.8 | -70.6 | 172.1 | 0 | 0 | 0 | 112.1 | V531 R532 A533 Q538 E539 | V531-L535 HydrophobicContact CG1-CD1 4.18Å; V531-L535 WeakPolarHBondContact O-CG 3.38Å; V531-L535 PolarHBondContact O-N 3.15Å; V531-L535 VanDerWaalsContact O-N 3.1Å; R532-L535 PolarHBondContact O-N 3Å; A533-L535 VanDerWaalsContact C-N 3.32Å; A533-L535 PolarHBondContact O-N 3.41Å; L535-Q538 PolarHBondContact O-N 3.47Å; L535-E539 WeakPolarHBondContact O-CB 3.49Å; L535-E539 PolarHBondContact O-N 3.46Å |
| 536 | L | 98.3 | Very high | 98.2 | Very high | 102 Ų | 102 | 102.6 Ų | 102.6 | 53% | 0.534 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -66.2 | -36.8 | 176.9 | -71.2 | 170.3 | 0 | 0 | 0 | 112 | R532 A533 N540 | R532-L536 HydrophobicContact CG-CD1 4.09Å; R532-L536 VanDerWaalsContact O-CG 3.31Å; R532-L536 WeakPolarHBondContact O-CG 3.39Å; R532-L536 PolarHBondContact O-N 2.73Å; A533-L536 PolarHBondContact O-N 2.72Å; A533-L536 VanDerWaalsContact O-N 3.15Å; L536-N540 WeakPolarHBondContact O-CB 3.25Å; L536-N540 PolarHBondContact O-N 2.85Å |
| 537 | E | 98.2 | Very high | 98.3 | Very high | 137 Ų | 137 | 100.9 Ų | 100.9 | 64% | 0.64 | 51% | 0.508 | S | S | * | . | H | α-helix | trans | -63.7 | -44.4 | 173.7 | -74 | 172.2 | -177.8 | 0 | 0 | 111.6 | A533 A534 N540 M541 | A533-E537 WeakPolarHBondContact O-CG 3.44Å; A533-E537 PolarHBondContact O-N 3.39Å; A534-E537 PolarHBondContact O-N 3Å; E537-N540 PolarHBondContact O-N 3.47Å; E537-M541 WeakPolarHBondContact O-CB 3.45Å; E537-M541 PolarHBondContact O-N 2.9Å |
| 538 | Q | 98.2 | Very high | 98.3 | Very high | 138 Ų | 138 | 98.7 Ų | 98.7 | 65% | 0.645 | 50% | 0.504 | S | S | * | . | H | α-helix | trans | -62.1 | -46.8 | 175.3 | -176.1 | -176.7 | 4.2 | 0 | 0 | 111.8 | A534 L535 M541 R542 | A534-Q538 WeakPolarHBondContact O-CB 3.48Å; A534-Q538 PolarHBondContact O-N 3.21Å; L535-Q538 PolarHBondContact O-N 3.47Å; Q538-M541 PolarHBondContact O-N 2.92Å; Q538-R542 PolarHBondContact O-N 2.78Å |
| 539 | E | 98.3 | Very high | 98.2 | Very high | 101 Ų | 101 | 96.5 Ų | 96.5 | 47% | 0.472 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -64.9 | -43 | 178.2 | -177.7 | 171.6 | -158.2 | 0 | 0 | 111.7 | L535 M541 R542 L543 | L535-E539 WeakPolarHBondContact O-CB 3.49Å; L535-E539 PolarHBondContact O-N 3.46Å; E539-M541 VanDerWaalsContact C-N 3.31Å; E539-M541 PolarHBondContact O-N 3.45Å; E539-R542 WeakPolarHBondContact O-CB 3.49Å; E539-R542 PolarHBondContact O-N 2.93Å; E539-L543 HydrophobicContact CG-CD1 3.99Å; E539-L543 HydrophobicContact CG-CG 4.43Å; E539-L543 WeakPolarHBondContact O-CB 3.22Å; E539-L543 WeakPolarHBondContact O-CG 3.28Å; E539-L543 PolarHBondContact O-N 2.86Å |
| 540 | N | 98.2 | Very high | 98.3 | Very high | 71 Ų | 71 | 96.2 Ų | 96.2 | 38% | 0.38 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -62.3 | -39 | 177 | -162.7 | -91.7 | 0 | 0 | 0 | 111.6 | L536 E537 L543 R544 | L536-N540 WeakPolarHBondContact O-CB 3.25Å; L536-N540 PolarHBondContact O-N 2.85Å; E537-N540 PolarHBondContact O-N 3.47Å; N540-L543 PolarHBondContact O-N 2.96Å; N540-R544 WeakPolarHBondContact O-CB 3.34Å; N540-R544 VanDerWaalsContact O-CG 3.27Å; N540-R544 WeakPolarHBondContact O-CG 3.47Å; N540-R544 PolarHBondContact O-N 3.07Å; N540-R544 PolarHBondContact OD1-NE 2.97Å; N540-R544 PolarHBondContact OD1-NH2 2.92Å |
| 541 | M | 98.1 | Very high | 98.3 | Very high | 119 Ų | 119 | 100.2 Ų | 100.2 | 59% | 0.586 | 51% | 0.509 | S | S | * | . | H | α-helix | trans | -63.5 | -45.8 | 173.4 | -171.3 | -179.2 | -61.8 | 0 | 0 | 111.9 | E537 Q538 E539 L543 R544 I545 | E537-M541 WeakPolarHBondContact O-CB 3.45Å; E537-M541 PolarHBondContact O-N 2.9Å; Q538-M541 PolarHBondContact O-N 2.92Å; E539-M541 VanDerWaalsContact C-N 3.31Å; E539-M541 PolarHBondContact O-N 3.45Å; M541-L543 PolarHBondContact O-N 3.16Å; M541-R544 PolarHBondContact O-N 3.38Å; M541-I545 HydrophobicContact CG-CD1 4.32Å; M541-I545 WeakPolarHBondContact O-CG1 3.47Å; M541-I545 PolarHBondContact O-N 3.24Å; M541-I545 VanDerWaalsContact O-N 3.1Å |
| 542 | R | 98.4 | Very high | 98.2 | Very high | 129 Ų | 129 | 98.8 Ų | 98.8 | 49% | 0.487 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -57.3 | -48 | 175.8 | -168.7 | -164.2 | 70 | 69.6 | 2.8 | 111.4 | Q538 E539 I545 E546 | Q538-R542 PolarHBondContact O-N 2.78Å; E539-R542 WeakPolarHBondContact O-CB 3.49Å; E539-R542 PolarHBondContact O-N 2.93Å; R542-I545 PolarHBondContact O-N 2.83Å; R542-E546 IonicContact CZ-OE2 3.49Å; R542-E546 IonicContact NH1-OE2 2.67Å; R542-E546 PolarHBondContact NH1-OE2 3.31Å; R542-E546 IonicContact NH2-OE2 3.5Å; R542-E546 PolarHBondContact O-N 2.74Å |
| 543 | L | 98.5 | Very high | 98.2 | Very high | 68 Ų | 68 | 97.1 Ų | 97.1 | 36% | 0.356 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -64.3 | -38.7 | 178.4 | -72.3 | 169.2 | 0 | 0 | 0 | 112.4 | E539 N540 M541 I545 E546 V547 | E539-L543 HydrophobicContact CG-CD1 3.99Å; E539-L543 HydrophobicContact CG-CG 4.43Å; E539-L543 WeakPolarHBondContact O-CB 3.22Å; E539-L543 WeakPolarHBondContact O-CG 3.28Å; E539-L543 PolarHBondContact O-N 2.86Å; N540-L543 PolarHBondContact O-N 2.96Å; M541-L543 PolarHBondContact O-N 3.16Å; L543-I545 VanDerWaalsContact C-N 3.33Å; L543-I545 PolarHBondContact O-N 3.44Å; L543-E546 PolarHBondContact O-N 3.43Å; L543-V547 WeakPolarHBondContact O-CB 3.48Å; L543-V547 VanDerWaalsContact O-CG2 3.28Å; L543-V547 WeakPolarHBondContact O-CG2 3.48Å; L543-V547 PolarHBondContact O-N 2.64Å |
| 544 | R | 98.3 | Very high | 98.2 | Very high | 178 Ų | 178 | 97.9 Ų | 97.9 | 67% | 0.672 | 51% | 0.507 | S | S | * | . | H | α-helix | trans | -61.8 | -40 | 174.7 | -77.1 | 173.5 | -175.3 | 180 | 5.4 | 112.2 | N540 M541 A548 | N540-R544 WeakPolarHBondContact O-CB 3.34Å; N540-R544 VanDerWaalsContact O-CG 3.27Å; N540-R544 WeakPolarHBondContact O-CG 3.47Å; N540-R544 PolarHBondContact O-N 3.07Å; N540-R544 PolarHBondContact OD1-NE 2.97Å; N540-R544 PolarHBondContact OD1-NH2 2.92Å; M541-R544 PolarHBondContact O-N 3.38Å; R544-A548 VanDerWaalsContact O-CB 3.29Å; R544-A548 WeakPolarHBondContact O-CB 3.26Å; R544-A548 PolarHBondContact O-N 2.84Å |
| 545 | I | 98.3 | Very high | 98.1 | Very high | 115 Ų | 115 | 99.5 Ų | 99.5 | 59% | 0.59 | 51% | 0.505 | S | S | * | . | H | α-helix | trans | -65.8 | -47.1 | 176.2 | -65.8 | 164.5 | 0 | 0 | 0 | 110.4 | M541 R542 L543 A548 A549 | M541-I545 HydrophobicContact CG-CD1 4.32Å; M541-I545 WeakPolarHBondContact O-CG1 3.47Å; M541-I545 PolarHBondContact O-N 3.24Å; M541-I545 VanDerWaalsContact O-N 3.1Å; R542-I545 PolarHBondContact O-N 2.83Å; L543-I545 VanDerWaalsContact C-N 3.33Å; L543-I545 PolarHBondContact O-N 3.44Å; I545-A548 PolarHBondContact O-N 3.37Å; I545-A549 PolarHBondContact O-N 3.17Å |
| 546 | E | 98.3 | Very high | 98 | Very high | 88 Ų | 88 | 101 Ų | 101 | 41% | 0.411 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -60.5 | -47.1 | 178.2 | -174.8 | 172.9 | -170.5 | 0 | 0 | 112 | R542 L543 A548 A549 L550 | R542-E546 IonicContact CZ-OE2 3.49Å; R542-E546 IonicContact NH1-OE2 2.67Å; R542-E546 PolarHBondContact NH1-OE2 3.31Å; R542-E546 IonicContact NH2-OE2 3.5Å; R542-E546 PolarHBondContact O-N 2.74Å; L543-E546 PolarHBondContact O-N 3.43Å; E546-A548 VanDerWaalsContact C-N 3.33Å; E546-A548 PolarHBondContact O-N 3.21Å; E546-A549 PolarHBondContact O-N 3.19Å; E546-L550 HydrophobicContact CG-CD1 4.23Å; E546-L550 WeakPolarHBondContact O-CG 3.18Å; E546-L550 PolarHBondContact O-N 3.38Å |
| 547 | V | 98.4 | Very high | 97.9 | Very high | 71 Ų | 71 | 100.1 Ų | 100.1 | 43% | 0.43 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -63.3 | -37.4 | 175.4 | 169.8 | 0 | 0 | 0 | 0 | 111.8 | L543 K551 | L543-V547 WeakPolarHBondContact O-CB 3.48Å; L543-V547 VanDerWaalsContact O-CG2 3.28Å; L543-V547 WeakPolarHBondContact O-CG2 3.48Å; L543-V547 PolarHBondContact O-N 2.64Å; V547-K551 HydrophobicContact CG1-CD 4.03Å; V547-K551 HydrophobicContact CG1-CG 4.43Å; V547-K551 VanDerWaalsContact O-CB 3.3Å; V547-K551 WeakPolarHBondContact O-CB 3.27Å; V547-K551 VanDerWaalsContact O-CG 3.24Å; V547-K551 WeakPolarHBondContact O-CG 3.22Å; V547-K551 PolarHBondContact O-N 3.5Å |
| 548 | A | 98.2 | Very high | 97.9 | Very high | 57 Ų | 57 | 100.7 Ų | 100.7 | 47% | 0.471 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -66.5 | -42 | 175.9 | 0 | 0 | 0 | 0 | 0 | 112 | R544 I545 E546 K551 A552 | R544-A548 VanDerWaalsContact O-CB 3.29Å; R544-A548 WeakPolarHBondContact O-CB 3.26Å; R544-A548 PolarHBondContact O-N 2.84Å; I545-A548 PolarHBondContact O-N 3.37Å; E546-A548 VanDerWaalsContact C-N 3.33Å; E546-A548 PolarHBondContact O-N 3.21Å; A548-K551 PolarHBondContact O-N 3.11Å; A548-A552 PolarHBondContact O-N 2.64Å |
| 549 | A | 98.1 | Very high | 97.8 | Very high | 60 Ų | 60 | 98.5 Ų | 98.5 | 50% | 0.496 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -62.7 | -48.4 | 176.1 | 0 | 0 | 0 | 0 | 0 | 111.8 | I545 E546 K551 A552 E553 | I545-A549 PolarHBondContact O-N 3.17Å; E546-A549 PolarHBondContact O-N 3.19Å; A549-K551 VanDerWaalsContact C-N 3.33Å; A549-K551 PolarHBondContact O-N 2.89Å; A549-A552 PolarHBondContact O-N 3.32Å; A549-A552 VanDerWaalsContact O-N 3.16Å; A549-E553 PolarHBondContact O-N 3.3Å |
| 550 | L | 98.2 | Very high | 97.6 | Very high | 90 Ų | 90 | 99.3 Ų | 99.3 | 47% | 0.471 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -64.5 | -35 | 177.1 | -68 | 171 | 0 | 0 | 0 | 112.5 | E546 T554 | E546-L550 HydrophobicContact CG-CD1 4.23Å; E546-L550 WeakPolarHBondContact O-CG 3.18Å; E546-L550 PolarHBondContact O-N 3.38Å; L550-T554 WeakPolarHBondContact O-CB 3.35Å; L550-T554 WeakPolarHBondContact O-CG2 3.33Å; L550-T554 PolarHBondContact O-N 3.12Å; L550-T554 PolarHBondContact O-OG1 3.11Å |
| 551 | K | 98.2 | Very high | 97.5 | Very high | 143 Ų | 143 | 102.7 Ų | 102.7 | 62% | 0.622 | 51% | 0.511 | S | S | * | . | H | α-helix | trans | -64.9 | -42.3 | 171.9 | -79.1 | 178.7 | 177.9 | -174.5 | 0 | 111.8 | V547 A548 A549 T554 E555 | V547-K551 HydrophobicContact CG1-CD 4.03Å; V547-K551 HydrophobicContact CG1-CG 4.43Å; V547-K551 VanDerWaalsContact O-CB 3.3Å; V547-K551 WeakPolarHBondContact O-CB 3.27Å; V547-K551 VanDerWaalsContact O-CG 3.24Å; V547-K551 WeakPolarHBondContact O-CG 3.22Å; V547-K551 PolarHBondContact O-N 3.5Å; A548-K551 PolarHBondContact O-N 3.11Å; A549-K551 VanDerWaalsContact C-N 3.33Å; A549-K551 PolarHBondContact O-N 2.89Å; K551-T554 PolarHBondContact O-OG1 3.33Å; K551-E555 VanDerWaalsContact O-CB 3.24Å; K551-E555 WeakPolarHBondContact O-CB 3.46Å; K551-E555 PolarHBondContact O-N 2.93Å |
| 552 | A | 97.8 | Very high | 97.3 | Very high | 64 Ų | 64 | 104.3 Ų | 104.3 | 53% | 0.529 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -66.3 | -39.1 | 176.1 | 0 | 0 | 0 | 0 | 0 | 112.6 | A548 A549 K556 | A548-A552 PolarHBondContact O-N 2.64Å; A549-A552 PolarHBondContact O-N 3.32Å; A549-A552 VanDerWaalsContact O-N 3.16Å; A552-K556 WeakPolarHBondContact O-CB 3.49Å; A552-K556 PolarHBondContact O-N 2.84Å |
| 553 | E | 97.5 | Very high | 96.7 | Very high | 112 Ų | 112 | 106.7 Ų | 106.7 | 52% | 0.523 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -66.7 | -49.3 | 175.5 | -177.2 | 173.9 | -160 | 0 | 0 | 112 | A549 E555 K556 L557 | A549-E553 PolarHBondContact O-N 3.3Å; E553-E555 VanDerWaalsContact C-N 3.27Å; E553-E555 PolarHBondContact O-N 3.19Å; E553-K556 WeakPolarHBondContact O-CB 3.36Å; E553-K556 PolarHBondContact O-N 3.13Å; E553-L557 HydrophobicContact CG-CD1 4.19Å; E553-L557 WeakPolarHBondContact O-CG 3.34Å; E553-L557 PolarHBondContact O-N 3.19Å |
| 554 | T | 97.5 | Very high | 95.1 | Very high | 56 Ų | 56 | 109.2 Ų | 109.2 | 34% | 0.344 | 58% | 0.578 | S | S | . | * | H | α-helix | trans | -62.6 | -34.6 | 177.2 | 54.4 | 0 | 0 | 0 | 0 | 112.2 | L550 K551 L557 R558 | L550-T554 WeakPolarHBondContact O-CB 3.35Å; L550-T554 WeakPolarHBondContact O-CG2 3.33Å; L550-T554 PolarHBondContact O-N 3.12Å; L550-T554 PolarHBondContact O-OG1 3.11Å; K551-T554 PolarHBondContact O-OG1 3.33Å; T554-L557 PolarHBondContact O-N 3.36Å; T554-R558 VanDerWaalsContact O-CG 3.32Å; T554-R558 WeakPolarHBondContact O-CG 3.5Å; T554-R558 PolarHBondContact O-N 3.03Å; T554-R558 PolarHBondContact OG1-NH1 2.99Å |
| 555 | E | 97.3 | Very high | 94.9 | Very high | 86 Ų | 86 | 105.8 Ų | 105.8 | 40% | 0.402 | 57% | 0.574 | S | S | . | * | H | α-helix | trans | -67.6 | -44.7 | 173.1 | -178.4 | 52.4 | -152 | 0 | 0 | 112.3 | K551 E553 L557 R558 Q559 | K551-E555 VanDerWaalsContact O-CB 3.24Å; K551-E555 WeakPolarHBondContact O-CB 3.46Å; K551-E555 PolarHBondContact O-N 2.93Å; E553-E555 VanDerWaalsContact C-N 3.27Å; E553-E555 PolarHBondContact O-N 3.19Å; E555-L557 VanDerWaalsContact C-N 3.3Å; E555-L557 PolarHBondContact O-N 2.93Å; E555-R558 PolarHBondContact O-N 3.16Å; E555-Q559 WeakPolarHBondContact O-CG 3.45Å; E555-Q559 PolarHBondContact O-N 3.15Å; E555-Q559 WeakPolarHBondContact OE1-CG 3.42Å; E555-Q559 PolarHBondContact OE1-NE2 3.16Å |
| 556 | K | 96.4 | Very high | 94.8 | Very high | 136 Ų | 136 | 105.3 Ų | 105.3 | 59% | 0.591 | 57% | 0.573 | S | S | * | * | H | α-helix | trans | -56.6 | -43.8 | 172.6 | 179 | -175.2 | 174.2 | -172.1 | 0 | 111.6 | A552 E553 Q559 M560 | A552-K556 WeakPolarHBondContact O-CB 3.49Å; A552-K556 PolarHBondContact O-N 2.84Å; E553-K556 WeakPolarHBondContact O-CB 3.36Å; E553-K556 PolarHBondContact O-N 3.13Å; K556-Q559 PolarHBondContact O-N 3.16Å; K556-M560 HydrophobicContact CG-SD 4.42Å; K556-M560 WeakPolarHBondContact O-CG 3.3Å; K556-M560 PolarHBondContact O-N 3.26Å |
| 557 | L | 96.7 | Very high | 94.6 | Very high | 84 Ų | 84 | 106.3 Ų | 106.3 | 44% | 0.44 | 58% | 0.582 | S | S | . | * | H | α-helix | trans | -65.9 | -42.5 | 177.5 | -69 | 172.1 | 0 | 0 | 0 | 111.9 | E553 T554 E555 Q559 M560 L561 | E553-L557 HydrophobicContact CG-CD1 4.19Å; E553-L557 WeakPolarHBondContact O-CG 3.34Å; E553-L557 PolarHBondContact O-N 3.19Å; T554-L557 PolarHBondContact O-N 3.36Å; E555-L557 VanDerWaalsContact C-N 3.3Å; E555-L557 PolarHBondContact O-N 2.93Å; L557-Q559 VanDerWaalsContact C-N 3.33Å; L557-Q559 PolarHBondContact O-N 2.91Å; L557-M560 PolarHBondContact O-N 3.37Å; L557-L561 WeakPolarHBondContact O-CG 3.4Å; L557-L561 PolarHBondContact O-N 3.41Å |
| 558 | R | 97 | Very high | 94.3 | Very high | 148 Ų | 148 | 108.4 Ų | 108.4 | 56% | 0.558 | 59% | 0.591 | S | S | * | * | H | α-helix | trans | -58.2 | -44 | 172.2 | -75.3 | 178.9 | -169.9 | 103 | 6.1 | 111.9 | T554 E555 M560 L561 L562 | T554-R558 VanDerWaalsContact O-CG 3.32Å; T554-R558 WeakPolarHBondContact O-CG 3.5Å; T554-R558 PolarHBondContact O-N 3.03Å; T554-R558 PolarHBondContact OG1-NH1 2.99Å; E555-R558 PolarHBondContact O-N 3.16Å; R558-M560 VanDerWaalsContact C-N 3.31Å; R558-M560 PolarHBondContact O-N 3.39Å; R558-L561 PolarHBondContact O-N 2.89Å; R558-L562 WeakPolarHBondContact O-CB 3.49Å; R558-L562 PolarHBondContact O-N 3.35Å |
| 559 | Q | 95.8 | Very high | 94.1 | Very high | 92 Ų | 92 | 111.6 Ų | 111.6 | 43% | 0.43 | 60% | 0.598 | S | S | . | * | H | α-helix | trans | -66.9 | -29.8 | 177.8 | -70 | 178.8 | 21.7 | 0 | 0 | 113.3 | E555 K556 L557 K563 | E555-Q559 WeakPolarHBondContact O-CG 3.45Å; E555-Q559 PolarHBondContact O-N 3.15Å; E555-Q559 WeakPolarHBondContact OE1-CG 3.42Å; E555-Q559 PolarHBondContact OE1-NE2 3.16Å; K556-Q559 PolarHBondContact O-N 3.16Å; L557-Q559 VanDerWaalsContact C-N 3.33Å; L557-Q559 PolarHBondContact O-N 2.91Å; Q559-K563 WeakPolarHBondContact O-CB 3.3Å; Q559-K563 WeakPolarHBondContact O-CD 3.08Å; Q559-K563 VanDerWaalsContact O-CG 3.24Å; Q559-K563 WeakPolarHBondContact O-CG 3.42Å |
| 560 | M | 94.7 | Very high | 93.8 | Very high | 118 Ų | 118 | 115 Ų | 115 | 58% | 0.581 | 61% | 0.605 | S | S | * | * | H | α-helix | trans | -71.6 | -44.3 | 171.7 | -72.3 | 176.1 | 62.9 | 0 | 0 | 111.3 | K556 L557 R558 L562 K563 G564 | K556-M560 HydrophobicContact CG-SD 4.42Å; K556-M560 WeakPolarHBondContact O-CG 3.3Å; K556-M560 PolarHBondContact O-N 3.26Å; L557-M560 PolarHBondContact O-N 3.37Å; R558-M560 VanDerWaalsContact C-N 3.31Å; R558-M560 PolarHBondContact O-N 3.39Å; M560-L562 PolarHBondContact O-N 3.48Å; M560-K563 PolarHBondContact O-N 2.99Å; M560-K563 VanDerWaalsContact O-N 3.15Å; M560-G564 PolarHBondContact O-N 3.15Å |
| 561 | L | 95.2 | Very high | 93.5 | Very high | 142 Ų | 142 | 116.8 Ų | 116.8 | 74% | 0.743 | 61% | 0.614 | S | S | * | * | H | α-helix | trans | -68.4 | -17.6 | 177.8 | -69.2 | 172.7 | 0 | 0 | 0 | 114.4 | L557 R558 | L557-L561 WeakPolarHBondContact O-CG 3.4Å; L557-L561 PolarHBondContact O-N 3.41Å; R558-L561 PolarHBondContact O-N 2.89Å |
| 562 | L | 93.8 | Very high | 93.2 | Very high | 153 Ų | 153 | 114.8 Ų | 114.8 | 80% | 0.801 | 61% | 0.614 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -91.8 | -10.2 | 174.2 | -171.7 | 59.3 | 0 | 0 | 0 | 112.9 | R558 M560 | R558-L562 WeakPolarHBondContact O-CB 3.49Å; R558-L562 PolarHBondContact O-N 3.35Å; M560-L562 PolarHBondContact O-N 3.48Å |
| 563 | K | 86.6 | Confident | 92.8 | Very high | 179 Ų | 179 | 119 Ų | 119 | 78% | 0.778 | 62% | 0.621 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -108 | -8.8 | -177.1 | -75.8 | 177 | -178.7 | 173.7 | 0 | 114.1 | Q559 M560 | Q559-K563 WeakPolarHBondContact O-CB 3.3Å; Q559-K563 WeakPolarHBondContact O-CD 3.08Å; Q559-K563 VanDerWaalsContact O-CG 3.24Å; Q559-K563 WeakPolarHBondContact O-CG 3.42Å; M560-K563 PolarHBondContact O-N 2.99Å; M560-K563 VanDerWaalsContact O-N 3.15Å |
| 564 | G | 65 | Low | 92.4 | Very high | 122 Ų | 122 | 119.6 Ų | 119.6 | 100% | 1.258 | 63% | 0.63 | S | S | * | * | | | trans | -118.8 | 0 | 174.5 | 0 | 0 | 0 | 0 | 0 | 110.7 | M560 | M560-G564 PolarHBondContact O-N 3.15Š|