| 1 | M | 36.5 | Very low | 40.8 | Very low | 229 Ų | 229 | 127.4 Ų | 127.4 | 100% | 1.128 | 78% | 0.784 | S | S | * | * | | | | 0 | 151 | 0 | -70.4 | -50.6 | -79.6 | 0 | 0 | 108.3 | | |
| 2 | P | 45.5 | Very low | 40.5 | Very low | 96 Ų | 96 | 128.2 Ų | 128.2 | 62% | 0.623 | 79% | 0.789 | S | S | * | * | | | | -88.4 | 161.7 | -110.6 | 31.2 | -38.7 | 0 | 0 | 0 | 114.6 | | |
| 3 | G | 34.6 | Very low | 40.6 | Very low | 81 Ų | 81 | 131.5 Ų | 131.5 | 84% | 0.835 | 79% | 0.79 | S | S | * | * | | | trans | -107.1 | 92.7 | 160.4 | 0 | 0 | 0 | 0 | 0 | 109.4 | | |
| 4 | E | 41.5 | Very low | 40.4 | Very low | 163 Ų | 163 | 132.9 Ų | 132.9 | 76% | 0.762 | 78% | 0.784 | S | S | * | * | | | trans | -83.3 | 121.8 | 155.7 | -75.5 | 162.9 | 100.5 | 0 | 0 | 105.9 | | |
| 5 | A | 45.3 | Very low | 40.2 | Very low | 93 Ų | 93 | 135.9 Ų | 135.9 | 77% | 0.769 | 79% | 0.787 | S | S | * | * | | | | 69.9 | 56.8 | 70.4 | 0 | 0 | 0 | 0 | 0 | 112.3 | E7 | A5-E7 VanDerWaalsContact C-N 3.34Å; A5-E7 PolarHBondContact O-N 2.75Å |
| 6 | T | 38.4 | Very low | 39.8 | Very low | 129 Ų | 129 | 137.6 Ų | 137.6 | 79% | 0.791 | 79% | 0.791 | S | S | * | * | | | trans | -71.3 | 88.6 | 168.8 | -45 | 0 | 0 | 0 | 0 | 110.2 | | |
| 7 | E | 44.6 | Very low | 40 | Very low | 174 Ų | 174 | 136.1 Ų | 136.1 | 81% | 0.813 | 79% | 0.788 | S | S | * | * | | | trans | -67.4 | 128.8 | 163.4 | -171.5 | 176 | 116.1 | 0 | 0 | 108.9 | A5 | A5-E7 VanDerWaalsContact C-N 3.34Å; A5-E7 PolarHBondContact O-N 2.75Å |
| 8 | T | 37.3 | Very low | 40 | Very low | 115 Ų | 115 | 137 Ų | 137 | 71% | 0.706 | 78% | 0.783 | S | S | * | * | | | trans | -144.6 | 111.3 | 173.8 | -61.9 | 0 | 0 | 0 | 0 | 109.8 | | |
| 9 | V | 43.1 | Very low | 40 | Very low | 112 Ų | 112 | 136.6 Ų | 136.6 | 68% | 0.679 | 79% | 0.786 | S | S | * | * | P | Polyproline II helix | trans | -78.7 | 133.3 | 176.9 | 173.7 | 0 | 0 | 0 | 0 | 110.2 | | |
| 10 | P | 41.8 | Very low | 39.5 | Very low | 116 Ų | 116 | 138.2 Ų | 138.2 | 75% | 0.753 | 79% | 0.786 | S | S | * | * | P | Polyproline II helix | trans | -97.7 | 129.5 | 147.5 | 33.5 | -26.4 | 0 | 0 | 0 | 109.6 | | |
| 11 | A | 40.3 | Very low | 39.4 | Very low | 93 Ų | 93 | 136.3 Ų | 136.3 | 77% | 0.769 | 79% | 0.788 | S | S | * | * | P | Polyproline II helix | trans | -98.3 | 133.1 | 171.7 | 0 | 0 | 0 | 0 | 0 | 110 | | |
| 12 | T | 36.6 | Very low | 39.1 | Very low | 137 Ų | 137 | 134.3 Ų | 134.3 | 84% | 0.84 | 78% | 0.776 | S | S | * | * | | | trans | -151.9 | 111.1 | 161.5 | -4.1 | 0 | 0 | 0 | 0 | 111.4 | | |
| 13 | E | 42.3 | Very low | 38.6 | Very low | 172 Ų | 172 | 135.3 Ų | 135.3 | 80% | 0.804 | 78% | 0.78 | S | S | * | * | | | trans | -56.8 | 143.5 | 145.7 | -133.1 | 171.2 | 80.8 | 0 | 0 | 107.5 | | |
| 14 | Q | 38.2 | Very low | 38.4 | Very low | 150 Ų | 150 | 136.4 Ų | 136.4 | 70% | 0.701 | 78% | 0.781 | S | S | * | * | | | | -156.2 | 143.7 | 50 | -99.4 | -179.7 | -8.9 | 0 | 0 | 109.4 | | |
| 15 | E | 36.6 | Very low | 37.8 | Very low | 178 Ų | 178 | 134.8 Ų | 134.8 | 83% | 0.832 | 78% | 0.782 | S | S | * | * | | | | 74.3 | 123.6 | 94 | -157.5 | 177.3 | 116.3 | 0 | 0 | 115.3 | | |
| 16 | L | 34.6 | Very low | 37.4 | Very low | 163 Ų | 163 | 137.8 Ų | 137.8 | 85% | 0.853 | 79% | 0.785 | S | S | * | * | | | trans | -149.1 | 129.3 | 176 | -154.9 | 155.1 | 0 | 0 | 0 | 107.6 | | |
| 17 | P | 43.8 | Very low | 37.6 | Very low | 113 Ų | 113 | 137.6 Ų | 137.6 | 73% | 0.734 | 79% | 0.786 | S | S | * | * | P | Polyproline II helix | trans | -74.4 | 153.7 | -160.1 | 26.5 | -36 | 0 | 0 | 0 | 115.7 | | |
| 18 | Q | 38.4 | Very low | 36.9 | Very low | 152 Ų | 152 | 137.7 Ų | 137.7 | 71% | 0.71 | 79% | 0.789 | S | S | * | * | P | Polyproline II helix | trans | -73 | 143.5 | 172 | -66.5 | -176.8 | -21.8 | 0 | 0 | 112.3 | | |
| 19 | P | 39.9 | Very low | 36.7 | Very low | 129 Ų | 129 | 137.2 Ų | 137.2 | 84% | 0.838 | 79% | 0.79 | S | S | * | * | P | Polyproline II helix | trans | -79.5 | 127.5 | 149.8 | 32.3 | -29 | 0 | 0 | 0 | 109.8 | | |
| 20 | Q | 31.3 | Very low | 36.2 | Very low | 168 Ų | 168 | 137.5 Ų | 137.5 | 79% | 0.785 | 80% | 0.797 | S | S | * | * | | | trans | -114.7 | 158.1 | 163.5 | -69.4 | -158.9 | 7.3 | 0 | 0 | 110.3 | | |
| 21 | A | 36 | Very low | 35.6 | Very low | 100 Ų | 100 | 136.8 Ų | 136.8 | 83% | 0.826 | 80% | 0.8 | S | S | * | * | | | trans | -111.3 | 135 | -172.9 | 0 | 0 | 0 | 0 | 0 | 112.1 | | |
| 22 | E | 31.5 | Very low | 35.2 | Very low | 186 Ų | 186 | 139.9 Ų | 139.9 | 87% | 0.869 | 80% | 0.803 | S | S | * | * | | | trans | -138.9 | 110.1 | 165.7 | -151 | 172.1 | 122 | 0 | 0 | 105.8 | | |
| 23 | T | 34.6 | Very low | 35 | Very low | 117 Ų | 117 | 138.6 Ų | 138.6 | 72% | 0.718 | 80% | 0.8 | S | S | * | * | | | | 57 | 89.8 | 76.8 | -54.2 | 0 | 0 | 0 | 0 | 112.1 | | |
| 24 | A | 30.6 | Very low | 34.3 | Very low | 104 Ų | 104 | 136.3 Ų | 136.3 | 86% | 0.86 | 80% | 0.798 | S | S | * | * | | | trans | -110.3 | 124.7 | 170.7 | 0 | 0 | 0 | 0 | 0 | 110.4 | | |
| 25 | V | 29.7 | Very low | 34 | Very low | 129 Ų | 129 | 135.6 Ų | 135.6 | 78% | 0.782 | 80% | 0.804 | S | S | * | * | | | trans | -108.5 | 149.1 | 177 | 175.8 | 0 | 0 | 0 | 0 | 109.8 | | |
| 26 | L | 36.4 | Very low | 33.8 | Very low | 157 Ų | 157 | 131.5 Ų | 131.5 | 82% | 0.822 | 80% | 0.8 | S | S | * | * | | | trans | -56.2 | 153.8 | 178.7 | -57 | 172.4 | 0 | 0 | 0 | 113.6 | | |
| 27 | P | 41.6 | Very low | 33.6 | Very low | 125 Ų | 125 | 128.3 Ų | 128.3 | 81% | 0.812 | 80% | 0.797 | S | S | * | * | | | trans | -123.2 | 156 | 137.1 | 36.3 | -29.7 | 0 | 0 | 0 | 113.2 | | |
| 28 | M | 29.8 | Very low | 33 | Very low | 176 Ų | 176 | 130.4 Ų | 130.4 | 87% | 0.867 | 80% | 0.802 | S | S | * | * | | | trans | -113.1 | 165.1 | 171.6 | -83.1 | -171.7 | 161.5 | 0 | 0 | 111.4 | | |
| 29 | S | 33 | Very low | 32.5 | Very low | 104 Ų | 104 | 125.9 Ų | 125.9 | 73% | 0.727 | 80% | 0.796 | S | S | * | * | | | trans | 87.7 | 100.1 | 150.2 | -59.8 | 0 | 0 | 0 | 0 | 121.5 | | |
| 30 | S | 32.5 | Very low | 32.1 | Very low | 118 Ų | 118 | 127.6 Ų | 127.6 | 83% | 0.825 | 79% | 0.792 | S | S | * | * | | | | 70.9 | 116.8 | 113.4 | -54.3 | 0 | 0 | 0 | 0 | 123 | | |
| 31 | A | 29.9 | Very low | 32.9 | Very low | 101 Ų | 101 | 125.8 Ų | 125.8 | 84% | 0.835 | 80% | 0.795 | S | S | * | * | | | trans | 159.4 | 154.9 | 134.5 | 0 | 0 | 0 | 0 | 0 | 112.3 | | |
| 32 | L | 32.4 | Very low | 32.7 | Very low | 158 Ų | 158 | 123.6 Ų | 123.6 | 83% | 0.827 | 78% | 0.782 | S | S | * | * | | | cis | -173.1 | 108.8 | -35.8 | -140.7 | 175.4 | 0 | 0 | 0 | 110.4 | | |
| 33 | S | 31.3 | Very low | 32.8 | Very low | 110 Ų | 110 | 123.5 Ų | 123.5 | 77% | 0.769 | 78% | 0.782 | S | S | * | * | | | trans | 177.9 | 118.8 | 160.1 | 40.2 | 0 | 0 | 0 | 0 | 110 | | |
| 34 | V | 28.7 | Very low | 32.5 | Very low | 125 Ų | 125 | 122.3 Ų | 122.3 | 76% | 0.758 | 78% | 0.775 | S | S | * | * | | | | 66.1 | 109.7 | 70.6 | -178.6 | 0 | 0 | 0 | 0 | 111.1 | | |
| 35 | T | 30.6 | Very low | 32.8 | Very low | 135 Ų | 135 | 124.2 Ų | 124.2 | 83% | 0.828 | 77% | 0.77 | S | S | * | * | | | | -153.5 | 163.4 | 69.9 | -49.4 | 0 | 0 | 0 | 0 | 113.4 | | |
| 36 | A | 32.2 | Very low | 33.7 | Very low | 91 Ų | 91 | 123.1 Ų | 123.1 | 75% | 0.752 | 77% | 0.765 | S | S | * | * | | | trans | -74.7 | -177.1 | 177.8 | 0 | 0 | 0 | 0 | 0 | 113.4 | | |
| 37 | A | 31.8 | Very low | 34.4 | Very low | 97 Ų | 97 | 121.1 Ų | 121.1 | 80% | 0.802 | 76% | 0.762 | S | S | * | * | | | cis | -165 | -175.2 | 17.4 | 0 | 0 | 0 | 0 | 0 | 108.5 | | |
| 38 | L | 30.2 | Very low | 34.8 | Very low | 157 Ų | 157 | 120.2 Ų | 120.2 | 82% | 0.822 | 76% | 0.755 | S | S | * | * | | | cis | -175.9 | 151 | -14.1 | 173.1 | 74.3 | 0 | 0 | 0 | 105 | | |
| 39 | G | 28.4 | Very low | 34.7 | Very low | 57 Ų | 57 | 117.9 Ų | 117.9 | 59% | 0.588 | 76% | 0.755 | S | S | * | * | | | cis | 128.8 | 152.1 | -2.6 | 0 | 0 | 0 | 0 | 0 | 113.2 | | |
| 40 | Q | 31.3 | Very low | 34.7 | Very low | 164 Ų | 164 | 118.4 Ų | 118.4 | 77% | 0.766 | 76% | 0.759 | S | S | * | * | | | trans | 71.2 | 165.3 | 172.9 | -62.7 | -66.7 | -36 | 0 | 0 | 116.4 | | |
| 41 | P | 48.8 | Very low | 35.4 | Very low | 131 Ų | 131 | 118.3 Ų | 118.3 | 85% | 0.851 | 76% | 0.755 | S | S | * | * | | | cis | -122.5 | 175.4 | 4 | 41 | -26.4 | 0 | 0 | 0 | 115.6 | | |
| 42 | G | 30.9 | Very low | 35.4 | Very low | 53 Ų | 53 | 118 Ų | 118 | 55% | 0.546 | 75% | 0.753 | S | S | . | * | | | cis | 159.6 | -167.9 | -9.2 | 0 | 0 | 0 | 0 | 0 | 114.6 | | |
| 43 | Q | 34.3 | Very low | 35.9 | Very low | 185 Ų | 185 | 116.6 Ų | 116.6 | 86% | 0.864 | 75% | 0.753 | S | S | * | * | | | trans | 75.1 | 152.3 | 177.3 | -94.6 | -156 | 102.6 | 0 | 0 | 117.5 | | |
| 44 | T | 26.8 | Very low | 35.9 | Very low | 92 Ų | 92 | 119.5 Ų | 119.5 | 56% | 0.564 | 76% | 0.755 | S | S | * | * | | | cis | -153.5 | 144 | -6.3 | -141.4 | 0 | 0 | 0 | 0 | 115.2 | | |
| 45 | L | 37.2 | Very low | 36 | Very low | 144 Ų | 144 | 122.8 Ų | 122.8 | 75% | 0.754 | 76% | 0.762 | S | S | * | * | | | | 26.8 | 161.7 | 128.9 | -59.2 | 179.6 | 0 | 0 | 0 | 123.5 | | |
| 46 | P | 50.1 | Low | 35.8 | Very low | 106 Ų | 106 | 121.6 Ų | 121.6 | 69% | 0.688 | 76% | 0.757 | S | S | * | * | | | cis | -145.3 | -149.8 | -32.7 | 40.7 | -19.4 | 0 | 0 | 0 | 113 | | |
| 47 | P | 49.3 | Very low | 36.6 | Very low | 115 Ų | 115 | 123.2 Ų | 123.2 | 75% | 0.747 | 76% | 0.761 | S | S | * | * | | | | -122.8 | -142.1 | -61.3 | 31.2 | -7 | 0 | 0 | 0 | 112.4 | | |
| 48 | P | 50.7 | Low | 36.3 | Very low | 105 Ų | 105 | 126.3 Ų | 126.3 | 68% | 0.682 | 76% | 0.763 | S | S | * | * | | | | -133.7 | 179.9 | -81.3 | 42.6 | -25.8 | 0 | 0 | 0 | 117.9 | | |
| 49 | C | 28.7 | Very low | 36.3 | Very low | 128 Ų | 128 | 124.1 Ų | 124.1 | 87% | 0.865 | 76% | 0.761 | S | S | * | * | | | trans | 79.3 | 144.6 | 146.4 | -75.4 | 0 | 0 | 0 | 0 | 124.4 | | |
| 50 | S | 32.9 | Very low | 36.4 | Very low | 114 Ų | 114 | 127.5 Ų | 127.5 | 80% | 0.797 | 77% | 0.77 | S | S | * | * | | | trans | -97 | -165.4 | 170.6 | -34.5 | 0 | 0 | 0 | 0 | 110.9 | | |
| 51 | P | 45.9 | Very low | 36.2 | Very low | 116 Ų | 116 | 123.6 Ų | 123.6 | 75% | 0.753 | 77% | 0.766 | S | S | * | * | | | cis | -140.9 | 165.9 | -8.2 | 41 | -22.9 | 0 | 0 | 0 | 118 | | |
| 52 | A | 30.7 | Very low | 35.3 | Very low | 95 Ų | 95 | 124.3 Ų | 124.3 | 79% | 0.785 | 76% | 0.763 | S | S | * | * | | | trans | 58.6 | -178.2 | 153.3 | 0 | 0 | 0 | 0 | 0 | 118.5 | | |
| 53 | P | 42.5 | Very low | 35.3 | Very low | 128 Ų | 128 | 130 Ų | 130 | 83% | 0.831 | 78% | 0.775 | S | S | * | * | | | cis | -125.8 | -154.5 | -11.2 | 43.5 | -26.2 | 0 | 0 | 0 | 114.1 | | |
| 54 | Q | 32.4 | Very low | 35.2 | Very low | 172 Ų | 172 | 125.5 Ų | 125.5 | 80% | 0.804 | 77% | 0.769 | S | S | * | * | | | trans | -88.6 | 167.1 | -177.4 | -60.5 | -177.3 | 0.4 | 0 | 0 | 115.6 | | |
| 55 | Q | 30.2 | Very low | 35.5 | Very low | 194 Ų | 194 | 125.5 Ų | 125.5 | 91% | 0.907 | 78% | 0.779 | S | S | * | * | | | trans | -140.3 | 136.9 | 149.8 | -76.9 | -167.8 | -18.9 | 0 | 0 | 113.3 | | |
| 56 | C | 27.3 | Very low | 35.7 | Very low | 109 Ų | 109 | 124.7 Ų | 124.7 | 74% | 0.736 | 78% | 0.782 | S | S | * | * | | | trans | -118.4 | 153.1 | 156 | -60.3 | 0 | 0 | 0 | 0 | 106.8 | | |
| 57 | P | 48.2 | Very low | 35.1 | Very low | 126 Ų | 126 | 129.1 Ų | 129.1 | 82% | 0.818 | 79% | 0.791 | S | S | * | * | | | | -146.5 | -168.1 | 84.5 | 21.2 | 4.2 | 0 | 0 | 0 | 112.5 | | |
| 58 | L | 25.7 | Very low | 34.5 | Very low | 162 Ų | 162 | 129.5 Ų | 129.5 | 85% | 0.848 | 79% | 0.793 | S | S | * | * | | | cis | 175.4 | 122.7 | -36.4 | 175.2 | 74.9 | 0 | 0 | 0 | 107.3 | | |
| 59 | S | 29.5 | Very low | 33.9 | Very low | 111 Ų | 111 | 129.5 Ų | 129.5 | 78% | 0.776 | 80% | 0.795 | S | S | * | * | | | trans | 171.7 | 143.2 | 157.7 | -87.4 | 0 | 0 | 0 | 0 | 110.7 | | |
| 60 | T | 30.1 | Very low | 34.5 | Very low | 127 Ų | 127 | 129 Ų | 129 | 78% | 0.779 | 79% | 0.791 | S | S | * | * | | | cis | -162.4 | 157.8 | -8.7 | -94.8 | 0 | 0 | 0 | 0 | 109.5 | | |
| 61 | A | 27.6 | Very low | 35 | Very low | 83 Ų | 83 | 128.8 Ų | 128.8 | 69% | 0.686 | 79% | 0.789 | S | S | * | * | | | trans | 89.5 | 118.8 | 163.1 | 0 | 0 | 0 | 0 | 0 | 122 | | |
| 62 | N | 30.6 | Very low | 34.2 | Very low | 146 Ų | 146 | 129.2 Ų | 129.2 | 78% | 0.781 | 79% | 0.79 | S | S | * | * | | | trans | 74 | 92.2 | 137.8 | -67.5 | -26.4 | 0 | 0 | 0 | 123.4 | | |
| 63 | Q | 31.5 | Very low | 34.1 | Very low | 173 Ų | 173 | 132.1 Ų | 132.1 | 81% | 0.808 | 79% | 0.791 | S | S | * | * | | | | 71.7 | 137.1 | 106.6 | -75.8 | -97.5 | 40.9 | 0 | 0 | 122.3 | | |
| 64 | A | 31.1 | Very low | 33.8 | Very low | 90 Ų | 90 | 130 Ų | 130 | 74% | 0.744 | 78% | 0.784 | S | S | * | * | | | trans | 65.3 | 99.8 | 151.4 | 0 | 0 | 0 | 0 | 0 | 120.2 | | |
| 65 | A | 34.4 | Very low | 33.8 | Very low | 92 Ų | 92 | 127.7 Ų | 127.7 | 76% | 0.76 | 79% | 0.787 | S | S | * | * | | | trans | -79.5 | 158.8 | 146.4 | 0 | 0 | 0 | 0 | 0 | 109.7 | | |
| 66 | P | 40.4 | Very low | 34.4 | Very low | 127 Ų | 127 | 124.8 Ų | 124.8 | 83% | 0.825 | 78% | 0.782 | S | S | * | * | | | | -140.1 | 171.8 | 77.8 | 37.7 | -21.8 | 0 | 0 | 0 | 115.9 | | |
| 67 | F | 37.1 | Very low | 35.5 | Very low | 198 Ų | 198 | 124.9 Ų | 124.9 | 87% | 0.868 | 78% | 0.782 | S | S | * | * | | | trans | -59.9 | 152.2 | 168.7 | -69.2 | -77.2 | 0 | 0 | 0 | 112.2 | | |
| 68 | P | 37.4 | Very low | 35 | Very low | 123 Ų | 123 | 127.9 Ų | 127.9 | 80% | 0.799 | 78% | 0.782 | S | S | * | * | | | | -148.9 | 177.7 | 69.8 | 41.5 | -21.9 | 0 | 0 | 0 | 118 | | |
| 69 | S | 37.3 | Very low | 35.3 | Very low | 105 Ų | 105 | 127.5 Ų | 127.5 | 73% | 0.734 | 78% | 0.776 | S | S | * | * | | | trans | -66.1 | 178.5 | 157.5 | -23.6 | 0 | 0 | 0 | 0 | 111.2 | | |
| 70 | P | 41.8 | Very low | 36.4 | Very low | 118 Ų | 118 | 128.5 Ų | 128.5 | 77% | 0.766 | 78% | 0.777 | S | S | * | * | | | cis | -151 | -157.5 | 41.7 | 43.3 | -19.6 | 0 | 0 | 0 | 116 | | |
| 71 | S | 43.1 | Very low | 37.3 | Very low | 109 Ų | 109 | 127 Ų | 127 | 76% | 0.762 | 77% | 0.77 | S | S | * | * | | | trans | -92.6 | -149.2 | 168.6 | -50.2 | 0 | 0 | 0 | 0 | 112 | | |
| 72 | T | 28.9 | Very low | 38 | Very low | 125 Ų | 125 | 132.4 Ų | 132.4 | 77% | 0.767 | 78% | 0.778 | S | S | * | * | | | trans | 77.5 | 152.3 | 177.6 | -0.3 | 0 | 0 | 0 | 0 | 113.9 | | |
| 73 | I | 30 | Very low | 38.1 | Very low | 157 Ų | 157 | 131.4 Ų | 131.4 | 81% | 0.805 | 78% | 0.777 | S | S | * | * | | | cis | -136.1 | 175.6 | 9.6 | -42 | 162 | 0 | 0 | 0 | 110.2 | | |
| 74 | A | 34.7 | Very low | 38.2 | Very low | 84 Ų | 84 | 132.2 Ų | 132.2 | 69% | 0.694 | 78% | 0.781 | S | S | * | * | | | trans | -109.8 | 178.7 | 176.9 | 0 | 0 | 0 | 0 | 0 | 114.1 | | |
| 75 | S | 33 | Very low | 38.1 | Very low | 122 Ų | 122 | 133.6 Ų | 133.6 | 85% | 0.853 | 79% | 0.785 | S | S | * | * | | | trans | 90.3 | 151.7 | 164.7 | -56.9 | 0 | 0 | 0 | 0 | 120 | | |
| 76 | T | 43 | Very low | 38.1 | Very low | 133 Ų | 133 | 134.3 Ų | 134.3 | 82% | 0.816 | 79% | 0.785 | S | S | * | * | | | trans | -97.9 | -171.6 | -175 | 54 | 0 | 0 | 0 | 0 | 111.1 | | |
| 77 | P | 50.4 | Low | 37.8 | Very low | 112 Ų | 112 | 134.1 Ų | 134.1 | 73% | 0.727 | 79% | 0.787 | S | S | * | * | | | cis | -143 | -179.5 | 4.9 | 45.4 | -26.2 | 0 | 0 | 0 | 118.5 | | |
| 78 | F | 36.5 | Very low | 37.5 | Very low | 188 Ų | 188 | 127.9 Ų | 127.9 | 83% | 0.825 | 78% | 0.778 | S | S | * | * | | | trans | 52 | 149.1 | 148.9 | -115.5 | -109.1 | 0 | 0 | 0 | 125.2 | | |
| 79 | E | 32.6 | Very low | 37.4 | Very low | 155 Ų | 155 | 128.7 Ų | 128.7 | 72% | 0.724 | 78% | 0.781 | S | S | * | * | | | trans | 69.7 | 149 | 172 | -95.5 | 156.5 | 105.2 | 0 | 0 | 118.7 | | |
| 80 | V | 52 | Low | 37.3 | Very low | 132 Ų | 132 | 127.9 Ų | 127.9 | 80% | 0.8 | 78% | 0.781 | S | S | * | * | | | cis | 69.2 | 159.7 | 9.7 | -71.3 | 0 | 0 | 0 | 0 | 118.1 | | |
| 81 | P | 48.9 | Very low | 36.8 | Very low | 95 Ų | 95 | 130.3 Ų | 130.3 | 62% | 0.617 | 79% | 0.786 | S | S | * | * | | | cis | -141.4 | -175.6 | 11.9 | 45.6 | -27.1 | 0 | 0 | 0 | 119.9 | | |
| 82 | F | 42.8 | Very low | 37.4 | Very low | 196 Ų | 196 | 130.6 Ų | 130.6 | 86% | 0.86 | 79% | 0.786 | S | S | * | * | | | trans | 73.4 | 149.2 | 152.2 | -79.5 | -60.6 | 0 | 0 | 0 | 126.1 | | |
| 83 | T | 34.1 | Very low | 37.5 | Very low | 125 Ų | 125 | 132.9 Ų | 132.9 | 77% | 0.767 | 79% | 0.792 | S | S | * | * | | | trans | -138.7 | 147.7 | 148.5 | 64.5 | 0 | 0 | 0 | 0 | 108.5 | | |
| 84 | Q | 32 | Very low | 37.5 | Very low | 190 Ų | 190 | 128.5 Ų | 128.5 | 89% | 0.888 | 79% | 0.786 | S | S | * | * | | | cis | -127.8 | 138.6 | -8.9 | -65.4 | -175.8 | -48.3 | 0 | 0 | 110.7 | | |
| 85 | S | 30.1 | Very low | 37.4 | Very low | 119 Ų | 119 | 131.1 Ų | 131.1 | 83% | 0.832 | 79% | 0.793 | S | S | * | * | | | | -179.9 | 139.3 | 116.8 | -167.4 | 0 | 0 | 0 | 0 | 112.2 | | |
| 86 | S | 34.2 | Very low | 37.2 | Very low | 108 Ų | 108 | 129 Ų | 129 | 76% | 0.755 | 78% | 0.783 | S | S | * | * | | | trans | 66.8 | 89.5 | 158.9 | -169.4 | 0 | 0 | 0 | 0 | 122.2 | | |
| 87 | S | 33.8 | Very low | 37.8 | Very low | 123 Ų | 123 | 128.3 Ų | 128.3 | 86% | 0.86 | 78% | 0.781 | S | S | * | * | | | | 71.4 | 118.1 | 128.3 | -176.5 | 0 | 0 | 0 | 0 | 124.1 | | |
| 88 | G | 31.6 | Very low | 36.8 | Very low | 66 Ų | 66 | 131.8 Ų | 131.8 | 68% | 0.68 | 79% | 0.788 | S | S | * | * | | | | 135.4 | 99.6 | 129 | 0 | 0 | 0 | 0 | 0 | 123.6 | | |
| 89 | T | 33.7 | Very low | 36.5 | Very low | 141 Ų | 141 | 126.8 Ų | 126.8 | 87% | 0.865 | 78% | 0.781 | S | S | * | * | | | | 66.7 | 96.3 | 125.7 | -44.2 | 0 | 0 | 0 | 0 | 125.7 | | |
| 90 | A | 35.4 | Very low | 37.5 | Very low | 88 Ų | 88 | 125.3 Ų | 125.3 | 73% | 0.727 | 79% | 0.785 | S | S | * | * | | | | 80.1 | 143 | 121.7 | 0 | 0 | 0 | 0 | 0 | 128.7 | | |
| 91 | L | 32.7 | Very low | 36.6 | Very low | 168 Ų | 168 | 124.7 Ų | 124.7 | 88% | 0.88 | 78% | 0.781 | S | S | * | * | | | trans | 94.4 | 157.8 | 150.8 | -67.2 | 171.6 | 0 | 0 | 0 | 123.6 | | |
| 92 | P | 54.8 | Low | 35.8 | Very low | 116 Ų | 116 | 129.9 Ų | 129.9 | 75% | 0.753 | 80% | 0.795 | S | S | * | * | | | trans | -143.2 | -164.2 | -143.6 | 48.2 | -29.7 | 0 | 0 | 0 | 121.4 | | |
| 93 | L | 30.8 | Very low | 35.6 | Very low | 172 Ų | 172 | 128.1 Ų | 128.1 | 90% | 0.901 | 79% | 0.794 | S | S | * | * | | | trans | 96.4 | 152.2 | 165.5 | -165.1 | 63.2 | 0 | 0 | 0 | 117.6 | | |
| 94 | G | 29.7 | Very low | 36.5 | Very low | 66 Ų | 66 | 127.1 Ų | 127.1 | 68% | 0.68 | 79% | 0.789 | S | S | * | * | | | cis | -172.3 | -164.4 | 1.7 | 0 | 0 | 0 | 0 | 0 | 110.4 | | |
| 95 | T | 33.4 | Very low | 36.5 | Very low | 138 Ų | 138 | 125 Ų | 125 | 85% | 0.847 | 78% | 0.784 | S | S | * | * | | | cis | -168.3 | 177.1 | -3.6 | -57.4 | 0 | 0 | 0 | 0 | 110.4 | | |
| 96 | A | 28.7 | Very low | 37 | Very low | 78 Ų | 78 | 127.5 Ų | 127.5 | 65% | 0.645 | 79% | 0.787 | S | S | * | * | | | trans | -144.7 | -178.2 | -180 | 0 | 0 | 0 | 0 | 0 | 112.8 | | |
| 97 | P | 56.3 | Low | 37.2 | Very low | 119 Ų | 119 | 130.3 Ų | 130.3 | 77% | 0.773 | 79% | 0.792 | S | S | * | * | | | cis | -130.8 | -140.6 | 23.7 | 32.7 | -4.5 | 0 | 0 | 0 | 114.7 | | |
| 98 | E | 28.8 | Very low | 37.4 | Very low | 184 Ų | 184 | 127.5 Ų | 127.5 | 86% | 0.86 | 78% | 0.782 | S | S | * | * | | | cis | -156.6 | -125.3 | 10.1 | -150.3 | -171.7 | 90.5 | 0 | 0 | 117.9 | | |
| 99 | A | 31.2 | Very low | 37.8 | Very low | 83 Ų | 83 | 130.2 Ų | 130.2 | 69% | 0.686 | 79% | 0.788 | S | S | * | * | | | trans | -139.3 | -161.1 | -159.2 | 0 | 0 | 0 | 0 | 0 | 115 | | |
| 100 | P | 52.1 | Low | 38.6 | Very low | 124 Ų | 124 | 129.6 Ų | 129.6 | 81% | 0.805 | 79% | 0.786 | S | S | * | * | | | cis | -139.1 | -94.8 | 6 | 39.5 | -13.7 | 0 | 0 | 0 | 120.7 | | |
| 101 | T | 34.6 | Very low | 38.8 | Very low | 119 Ų | 119 | 133.4 Ų | 133.4 | 73% | 0.73 | 79% | 0.793 | S | S | * | * | | | trans | -141.6 | 148 | -149.7 | -55 | 0 | 0 | 0 | 0 | 117 | | |
| 102 | F | 31.5 | Very low | 38.9 | Very low | 205 Ų | 205 | 130.8 Ų | 130.8 | 90% | 0.899 | 79% | 0.789 | S | S | * | * | | | trans | 171.7 | 170.1 | 135.7 | -107.7 | -82.1 | 0 | 0 | 0 | 116.4 | | |
| 103 | L | 38 | Very low | 38.2 | Very low | 159 Ų | 159 | 131.4 Ų | 131.4 | 83% | 0.832 | 79% | 0.792 | S | S | * | * | | | trans | -96.4 | -175.6 | 176.7 | -73.9 | 171.7 | 0 | 0 | 0 | 111.7 | | |
| 104 | P | 54.3 | Low | 38.3 | Very low | 104 Ų | 104 | 128.1 Ų | 128.1 | 68% | 0.675 | 79% | 0.79 | S | S | * | * | | | cis | -149.2 | -172.7 | 15.7 | 47.2 | -26 | 0 | 0 | 0 | 119.5 | | |
| 105 | N | 31.5 | Very low | 38.6 | Very low | 146 Ų | 146 | 129.9 Ų | 129.9 | 78% | 0.781 | 80% | 0.798 | S | S | * | * | | | trans | 30.8 | 130.1 | 146.5 | -58.1 | -9.2 | 0 | 0 | 0 | 123.2 | | |
| 106 | L | 40.6 | Very low | 38.7 | Very low | 170 Ų | 170 | 131.5 Ų | 131.5 | 89% | 0.89 | 80% | 0.801 | S | S | * | * | | | | -172 | 156.5 | 97.5 | -105.4 | 169.6 | 0 | 0 | 0 | 113.5 | | |
| 107 | I | 38.1 | Very low | 39 | Very low | 168 Ų | 168 | 132.3 Ų | 132.3 | 86% | 0.862 | 81% | 0.808 | S | S | * | * | | | trans | -125.6 | 142.4 | 176.1 | -73 | 170.8 | 0 | 0 | 0 | 108.6 | | |
| 108 | G | 37.2 | Very low | 37.9 | Very low | 64 Ų | 64 | 135.3 Ų | 135.3 | 66% | 0.66 | 82% | 0.816 | S | S | * | * | | | trans | -146.9 | 155.2 | 172.1 | 0 | 0 | 0 | 0 | 0 | 111.9 | | |
| 109 | P | 41.3 | Very low | 38 | Very low | 123 Ų | 123 | 130.9 Ų | 130.9 | 80% | 0.799 | 81% | 0.811 | S | S | * | * | | | trans | -86.4 | 159.7 | -163 | -9.6 | 29 | 0 | 0 | 0 | 114.6 | | |
| 110 | P | 49.7 | Very low | 38 | Very low | 128 Ų | 128 | 132.5 Ų | 132.5 | 83% | 0.831 | 82% | 0.817 | S | S | * | * | | | trans | -76 | 153.9 | 176 | 32.8 | -35.5 | 0 | 0 | 0 | 112.7 | | |
| 111 | I | 39.8 | Very low | 37.6 | Very low | 168 Ų | 168 | 132.2 Ų | 132.2 | 86% | 0.862 | 82% | 0.816 | S | S | * | * | | | trans | -112.7 | 137.8 | 175.4 | -57.7 | 176.1 | 0 | 0 | 0 | 109 | | |
| 112 | S | 35.8 | Very low | 37.4 | Very low | 113 Ų | 113 | 135.3 Ų | 135.3 | 79% | 0.79 | 82% | 0.824 | S | S | * | * | | | trans | -74.9 | 162.6 | -175.4 | -108 | 0 | 0 | 0 | 0 | 114.4 | | |
| 113 | P | 38 | Very low | 37.5 | Very low | 128 Ų | 128 | 133.5 Ų | 133.5 | 83% | 0.831 | 82% | 0.822 | S | S | * | * | | | trans | -88.2 | 124.6 | -161.2 | 33 | -35 | 0 | 0 | 0 | 114.8 | | |
| 114 | A | 33.4 | Very low | 37.4 | Very low | 103 Ų | 103 | 129.9 Ų | 129.9 | 85% | 0.851 | 82% | 0.815 | S | S | * | * | | | trans | -149.8 | 67.2 | 168.9 | 0 | 0 | 0 | 0 | 0 | 111.6 | | |
| 115 | A | 35.5 | Very low | 36.8 | Very low | 103 Ų | 103 | 130.9 Ų | 130.9 | 85% | 0.851 | 82% | 0.821 | S | S | * | * | | | trans | -153.9 | 54.6 | -173.7 | 0 | 0 | 0 | 0 | 0 | 114.8 | | |
| 116 | L | 37.2 | Very low | 36.8 | Very low | 173 Ų | 173 | 130.2 Ų | 130.2 | 91% | 0.906 | 82% | 0.823 | S | S | * | * | | | trans | -156.8 | 79.5 | 178.2 | -148.2 | 160.3 | 0 | 0 | 0 | 114.9 | | |
| 117 | A | 33.9 | Very low | 36.6 | Very low | 95 Ų | 95 | 130 Ų | 130 | 79% | 0.785 | 82% | 0.822 | S | S | * | * | | | trans | -176.3 | 61.4 | 156.7 | 0 | 0 | 0 | 0 | 0 | 115 | | |
| 118 | L | 33.1 | Very low | 36.4 | Very low | 181 Ų | 181 | 131.9 Ų | 131.9 | 95% | 0.948 | 82% | 0.824 | S | S | * | * | | | trans | -144 | 93 | 164.9 | -79.4 | -178.2 | 0 | 0 | 0 | 111.9 | | |
| 119 | A | 31.1 | Very low | 36.2 | Very low | 91 Ų | 91 | 132.6 Ų | 132.6 | 75% | 0.752 | 83% | 0.831 | S | S | * | * | | | trans | -168.5 | 98.8 | 163.1 | 0 | 0 | 0 | 0 | 0 | 114.7 | | |
| 120 | S | 31.7 | Very low | 35.8 | Very low | 118 Ų | 118 | 133.3 Ų | 133.3 | 83% | 0.825 | 83% | 0.833 | S | S | * | * | | | trans | 68.1 | 177.3 | 138.4 | -47.2 | 0 | 0 | 0 | 0 | 118.5 | | |
| 121 | P | 44.2 | Very low | 35.6 | Very low | 118 Ų | 118 | 133 Ų | 133 | 77% | 0.766 | 83% | 0.831 | S | S | * | * | | | | -133.2 | 168.9 | -76.8 | 40 | -24.9 | 0 | 0 | 0 | 114.9 | | |
| 122 | M | 29.1 | Very low | 35.1 | Very low | 184 Ų | 184 | 130.6 Ų | 130.6 | 91% | 0.906 | 83% | 0.829 | S | S | * | * | | | trans | -80 | 144.7 | 171.2 | -70.1 | 173.2 | 61.8 | 0 | 0 | 113.2 | | |
| 123 | I | 34.4 | Very low | 35 | Very low | 166 Ų | 166 | 130.6 Ų | 130.6 | 85% | 0.851 | 83% | 0.829 | S | S | * | * | | | trans | -131.3 | 136.9 | 156.7 | -62.6 | -178.4 | 0 | 0 | 0 | 107.9 | | |
| 124 | A | 35.7 | Very low | 34.7 | Very low | 83 Ų | 83 | 129.9 Ų | 129.9 | 69% | 0.686 | 83% | 0.827 | S | S | * | * | | | trans | -87.7 | 177.4 | -174.1 | 0 | 0 | 0 | 0 | 0 | 113.4 | | |
| 125 | P | 41 | Very low | 34.8 | Very low | 125 Ų | 125 | 128.8 Ų | 128.8 | 81% | 0.812 | 82% | 0.818 | S | S | * | * | | | | -126.5 | 146.4 | 117.1 | 36.3 | -32.5 | 0 | 0 | 0 | 114.9 | | |
| 126 | T | 32.3 | Very low | 35.3 | Very low | 132 Ų | 132 | 129 Ų | 129 | 81% | 0.81 | 81% | 0.811 | S | S | * | * | | | trans | -39.6 | 145.8 | 169.6 | 40.3 | 0 | 0 | 0 | 0 | 117.2 | | |
| 127 | L | 35.8 | Very low | 34.9 | Very low | 167 Ų | 167 | 128.3 Ų | 128.3 | 87% | 0.874 | 81% | 0.807 | S | S | * | * | | | | -153.9 | 162.8 | 114.9 | -107.3 | 171.6 | 0 | 0 | 0 | 112.6 | | |
| 128 | K | 35.3 | Very low | 34.7 | Very low | 207 Ų | 207 | 128 Ų | 128 | 90% | 0.9 | 81% | 0.805 | S | S | * | * | | | trans | -77.3 | 149.6 | -163.3 | -57.3 | 169.9 | 179.3 | 176.4 | 0 | 114.1 | | |
| 129 | G | 31.1 | Very low | 34.6 | Very low | 78 Ų | 78 | 126.9 Ų | 126.9 | 80% | 0.804 | 80% | 0.799 | S | S | * | * | | | trans | 170.5 | 97.6 | 161.1 | 0 | 0 | 0 | 0 | 0 | 116 | | |
| 130 | T | 33 | Very low | 34.6 | Very low | 139 Ų | 139 | 129.1 Ų | 129.1 | 85% | 0.853 | 80% | 0.803 | S | S | * | * | | | trans | -131.8 | 163.5 | 169.2 | 52.5 | 0 | 0 | 0 | 0 | 109.7 | | |
| 131 | P | 46.5 | Very low | 34.7 | Very low | 122 Ų | 122 | 128.5 Ų | 128.5 | 79% | 0.792 | 81% | 0.805 | S | S | * | * | | | cis | -123.7 | 178.3 | -4.9 | 40.3 | -25.7 | 0 | 0 | 0 | 114.6 | | |
| 132 | S | 29.5 | Very low | 34 | Very low | 117 Ų | 117 | 130.9 Ų | 130.9 | 82% | 0.818 | 81% | 0.81 | S | S | * | * | | | trans | -67.7 | 151.2 | 166.3 | 176.1 | 0 | 0 | 0 | 0 | 113 | | |
| 133 | S | 32.2 | Very low | 34.1 | Very low | 112 Ų | 112 | 126.3 Ų | 126.3 | 78% | 0.783 | 80% | 0.801 | S | S | * | * | | | | -176.6 | 152 | 121.5 | -162 | 0 | 0 | 0 | 0 | 114.6 | | |
| 134 | S | 33.1 | Very low | 34.4 | Very low | 113 Ų | 113 | 124.1 Ų | 124.1 | 79% | 0.79 | 80% | 0.798 | S | S | * | * | | | trans | 71.8 | 125.2 | 153 | -146.9 | 0 | 0 | 0 | 0 | 121.7 | | |
| 135 | A | 34.5 | Very low | 34.2 | Very low | 80 Ų | 80 | 129.5 Ų | 129.5 | 66% | 0.661 | 81% | 0.809 | S | S | * | * | | | trans | -78.9 | -167.9 | 152.7 | 0 | 0 | 0 | 0 | 0 | 109.5 | | |
| 136 | P | 45.9 | Very low | 33.8 | Very low | 109 Ų | 109 | 129.3 Ų | 129.3 | 71% | 0.708 | 81% | 0.81 | S | S | * | * | | | cis | -140.5 | -165.1 | 5.4 | 30.3 | -3.4 | 0 | 0 | 0 | 115.7 | | |
| 137 | L | 29 | Very low | 33.8 | Very low | 158 Ų | 158 | 129 Ų | 129 | 83% | 0.827 | 81% | 0.808 | S | S | * | * | | | trans | 88.7 | 106.6 | 157 | -55.1 | -179.1 | 0 | 0 | 0 | 120.9 | | |
| 138 | A | 29.6 | Very low | 33.5 | Very low | 88 Ų | 88 | 129 Ų | 129 | 73% | 0.727 | 80% | 0.804 | S | S | * | * | | | | 89.3 | 156.8 | 116.2 | 0 | 0 | 0 | 0 | 0 | 122.1 | | |
| 139 | L | 31.4 | Very low | 33.3 | Very low | 158 Ų | 158 | 128.1 Ų | 128.1 | 83% | 0.827 | 80% | 0.8 | S | S | * | * | | | trans | 68.8 | 122.1 | 176 | -50.7 | -178.3 | 0 | 0 | 0 | 115.2 | | |
| 140 | V | 31.9 | Very low | 33.2 | Very low | 137 Ų | 137 | 129.8 Ų | 129.8 | 83% | 0.83 | 80% | 0.799 | S | S | * | * | | | cis | 72.5 | 93 | 47.1 | -176.2 | 0 | 0 | 0 | 0 | 112.6 | | |
| 141 | A | 32.9 | Very low | 33 | Very low | 106 Ų | 106 | 128.7 Ų | 128.7 | 88% | 0.876 | 80% | 0.797 | S | S | * | * | | | trans | -160.4 | 96 | 156.7 | 0 | 0 | 0 | 0 | 0 | 109.7 | | |
| 142 | L | 29.7 | Very low | 32.3 | Very low | 168 Ų | 168 | 127.5 Ų | 127.5 | 88% | 0.88 | 80% | 0.798 | S | S | * | * | | | trans | -132.5 | 99.1 | 173.7 | -168.3 | 147.8 | 0 | 0 | 0 | 109.6 | | |
| 143 | A | 32 | Very low | 32.4 | Very low | 87 Ų | 87 | 131.5 Ų | 131.5 | 72% | 0.719 | 80% | 0.801 | S | S | * | * | | | trans | -157 | 106.2 | 173.9 | 0 | 0 | 0 | 0 | 0 | 109.9 | | |
| 144 | P | 39.7 | Very low | 33.6 | Very low | 120 Ų | 120 | 131.1 Ų | 131.1 | 78% | 0.779 | 80% | 0.796 | S | S | * | * | P | Polyproline II helix | trans | -83.4 | 146 | 171.9 | 33.3 | -32.6 | 0 | 0 | 0 | 111 | | |
| 145 | H | 31.8 | Very low | 34.4 | Very low | 197 Ų | 197 | 131 Ų | 131 | 91% | 0.912 | 79% | 0.792 | S | S | * | * | P | Polyproline II helix | trans | -90.2 | 147.7 | 172.3 | -86.5 | -82.9 | 0 | 0 | 0 | 112.6 | | |
| 146 | S | 33.4 | Very low | 34.1 | Very low | 120 Ų | 120 | 134.7 Ų | 134.7 | 84% | 0.839 | 80% | 0.801 | S | S | * | * | P | Polyproline II helix | trans | -90.7 | 170.8 | -169.2 | -167.1 | 0 | 0 | 0 | 0 | 113.9 | | |
| 147 | V | 31.5 | Very low | 33.5 | Very low | 127 Ų | 127 | 137.4 Ų | 137.4 | 77% | 0.77 | 81% | 0.808 | S | S | * | * | | | trans | -105.1 | 124.9 | 173.6 | 178.1 | 0 | 0 | 0 | 0 | 109.7 | | |
| 148 | Q | 29.9 | Very low | 34 | Very low | 167 Ų | 167 | 135.3 Ų | 135.3 | 78% | 0.78 | 80% | 0.804 | S | S | * | * | | | trans | 173.8 | 141 | 132.8 | -97.4 | 179.9 | 34.9 | 0 | 0 | 114.1 | | |
| 149 | K | 30.5 | Very low | 34 | Very low | 187 Ų | 187 | 136 Ų | 136 | 81% | 0.813 | 80% | 0.804 | S | S | * | * | | | trans | 25.8 | 126.8 | 139.3 | -63.5 | 177.2 | 178.1 | 178 | 0 | 117.5 | | |
| 150 | S | 29.3 | Very low | 34.1 | Very low | 114 Ų | 114 | 133.8 Ų | 133.8 | 80% | 0.797 | 80% | 0.801 | S | S | * | * | | | cis | 172.2 | 175.2 | 48.3 | 49.3 | 0 | 0 | 0 | 0 | 113 | | |
| 151 | S | 29.6 | Very low | 35.6 | Very low | 115 Ų | 115 | 132.8 Ų | 132.8 | 80% | 0.804 | 80% | 0.798 | S | S | * | * | | | trans | 87.6 | 143.1 | 144.6 | -153.8 | 0 | 0 | 0 | 0 | 121.7 | | |
| 152 | A | 30.8 | Very low | 36.7 | Very low | 98 Ų | 98 | 133 Ų | 133 | 81% | 0.81 | 79% | 0.79 | S | S | * | * | | | trans | 73.1 | 160.4 | 159.4 | 0 | 0 | 0 | 0 | 0 | 120.8 | | |
| 153 | F | 31.2 | Very low | 36.8 | Very low | 200 Ų | 200 | 130 Ų | 130 | 88% | 0.877 | 78% | 0.783 | S | S | * | * | | | trans | -128.8 | -173.5 | -168.5 | -127.4 | -60.8 | 0 | 0 | 0 | 109.7 | | |
| 154 | P | 58.6 | Low | 36.7 | Very low | 105 Ų | 105 | 132.6 Ų | 132.6 | 68% | 0.682 | 79% | 0.79 | S | S | * | * | | | trans | -89.1 | 174.7 | -131.1 | 46.6 | -34.1 | 0 | 0 | 0 | 114.1 | | |
| 155 | P | 48.4 | Very low | 36.3 | Very low | 109 Ų | 109 | 131 Ų | 131 | 71% | 0.708 | 79% | 0.787 | S | S | * | * | | | | -157.3 | 166.7 | 81.3 | 41.6 | -21 | 0 | 0 | 0 | 118.9 | | |
| 156 | N | 28.3 | Very low | 36.2 | Very low | 158 Ų | 158 | 128.5 Ų | 128.5 | 85% | 0.845 | 79% | 0.785 | S | S | * | * | | | trans | 44.6 | 141.4 | 142.2 | -63.3 | -23.8 | 0 | 0 | 0 | 125.5 | | |
| 157 | L | 33.4 | Very low | 36.1 | Very low | 166 Ų | 166 | 126.5 Ų | 126.5 | 87% | 0.869 | 78% | 0.776 | S | S | * | * | | | trans | -64.9 | 156.9 | 159.3 | -80.2 | 154.2 | 0 | 0 | 0 | 113.1 | | |
| 158 | P | 41.1 | Very low | 36.2 | Very low | 115 Ų | 115 | 128.6 Ų | 128.6 | 75% | 0.747 | 78% | 0.777 | S | S | * | * | | | | -153 | 172.5 | 102.6 | 39.8 | -21.5 | 0 | 0 | 0 | 118.8 | | |
| 159 | S | 27.9 | Very low | 36.4 | Very low | 102 Ų | 102 | 125.5 Ų | 125.5 | 71% | 0.713 | 77% | 0.774 | S | S | * | * | | | trans | -30.3 | 165.5 | 163.2 | 53 | 0 | 0 | 0 | 0 | 121.6 | | |
| 160 | S | 34.2 | Very low | 36.3 | Very low | 111 Ų | 111 | 120.1 Ų | 120.1 | 78% | 0.776 | 77% | 0.771 | S | S | * | * | | | cis | -161.4 | -104.9 | -13.7 | -87.1 | 0 | 0 | 0 | 0 | 115.3 | | |
| 161 | P | 63.2 | Low | 36.4 | Very low | 117 Ų | 117 | 120.2 Ų | 120.2 | 76% | 0.76 | 77% | 0.772 | S | S | * | * | | | | -110 | -167.8 | -126.4 | 39.8 | -24.1 | 0 | 0 | 0 | 113.8 | | |
| 162 | P | 55.9 | Low | 36.6 | Very low | 110 Ų | 110 | 120.5 Ų | 120.5 | 71% | 0.714 | 77% | 0.769 | S | S | * | * | | | cis | -152.9 | 173.7 | 17.2 | 46.7 | -25.4 | 0 | 0 | 0 | 122.3 | | |
| 163 | S | 31.8 | Very low | 36.6 | Very low | 105 Ų | 105 | 122.9 Ų | 122.9 | 73% | 0.734 | 77% | 0.766 | S | S | * | * | | | trans | 78.5 | 130.7 | 134.7 | -80.1 | 0 | 0 | 0 | 0 | 126.2 | | |
| 164 | V | 30.6 | Very low | 36.5 | Very low | 141 Ų | 141 | 118 Ų | 118 | 86% | 0.855 | 76% | 0.757 | S | S | * | * | | | trans | 73.3 | 129.7 | 138.7 | 173.5 | 0 | 0 | 0 | 0 | 116.9 | | |
| 165 | A | 31.1 | Very low | 35.2 | Very low | 88 Ų | 88 | 120.8 Ų | 120.8 | 73% | 0.727 | 77% | 0.765 | S | S | * | * | | | cis | -139.8 | -164.7 | 9.6 | 0 | 0 | 0 | 0 | 0 | 110.5 | | |
| 166 | V | 29.7 | Very low | 34.5 | Very low | 144 Ų | 144 | 120.5 Ų | 120.5 | 87% | 0.873 | 77% | 0.766 | S | S | * | * | | | cis | -151.4 | -151 | 3.1 | 70 | 0 | 0 | 0 | 0 | 109.8 | | |
| 167 | A | 32.2 | Very low | 34.8 | Very low | 77 Ų | 77 | 117.4 Ų | 117.4 | 64% | 0.636 | 76% | 0.762 | S | S | * | * | | | trans | -132.9 | -178.7 | 176.8 | 0 | 0 | 0 | 0 | 0 | 110.1 | | |
| 168 | E | 31.8 | Very low | 35.5 | Very low | 172 Ų | 172 | 114.9 Ų | 114.9 | 80% | 0.804 | 76% | 0.756 | S | S | * | * | | | cis | -153.2 | 143.2 | 36.1 | -89.9 | -145 | 73.4 | 0 | 0 | 111.2 | | |
| 169 | S | 34.2 | Very low | 35 | Very low | 102 Ų | 102 | 117.2 Ų | 117.2 | 71% | 0.713 | 76% | 0.761 | S | S | * | * | | | | 73.6 | 134 | 87.2 | -42.1 | 0 | 0 | 0 | 0 | 115.7 | | |
| 170 | G | 30 | Very low | 35.1 | Very low | 73 Ų | 73 | 116.2 Ų | 116.2 | 75% | 0.753 | 76% | 0.758 | S | S | * | * | | | trans | 165.7 | 142.5 | 169.8 | 0 | 0 | 0 | 0 | 0 | 115.9 | | |
| 171 | S | 30.7 | Very low | 35.8 | Very low | 116 Ų | 116 | 116.7 Ų | 116.7 | 81% | 0.811 | 76% | 0.759 | S | S | * | * | | | trans | -171.4 | 179.6 | 176.8 | -79.1 | 0 | 0 | 0 | 0 | 108 | | |
| 172 | V | 33.4 | Very low | 34.2 | Very low | 122 Ų | 122 | 116.4 Ų | 116.4 | 74% | 0.739 | 76% | 0.76 | S | S | * | * | | | cis | -151.4 | -162.5 | 17.1 | -144.2 | 0 | 0 | 0 | 0 | 109.4 | | |
| 173 | I | 30.7 | Very low | 32.9 | Very low | 147 Ų | 147 | 119.7 Ų | 119.7 | 75% | 0.754 | 77% | 0.766 | S | S | * | * | | | trans | 63.8 | 110.8 | 149.7 | 54.4 | 170.2 | 0 | 0 | 0 | 122.3 | | |
| 174 | S | 29.7 | Very low | 33.5 | Very low | 98 Ų | 98 | 119 Ų | 119 | 69% | 0.685 | 76% | 0.758 | S | S | * | * | | | | 72.4 | 132.1 | 113 | -56.6 | 0 | 0 | 0 | 0 | 124.3 | | |
| 175 | L | 30.7 | Very low | 33.5 | Very low | 163 Ų | 163 | 120.6 Ų | 120.6 | 85% | 0.853 | 75% | 0.754 | S | S | * | * | | | trans | 67 | 161.1 | 149.5 | -58.5 | 160.6 | 0 | 0 | 0 | 117 | | |
| 176 | S | 33.3 | Very low | 33.4 | Very low | 103 Ų | 103 | 121.9 Ų | 121.9 | 72% | 0.72 | 75% | 0.753 | S | S | * | * | | | cis | -164 | 164.5 | -31.8 | -99.4 | 0 | 0 | 0 | 0 | 109.5 | | |
| 177 | A | 34.2 | Very low | 33.4 | Very low | 93 Ų | 93 | 121.5 Ų | 121.5 | 77% | 0.769 | 75% | 0.746 | S | S | * | * | | | trans | -72.1 | 172.8 | 171.9 | 0 | 0 | 0 | 0 | 0 | 112.7 | | |
| 178 | P | 50 | Low | 33.2 | Very low | 114 Ų | 114 | 124.5 Ų | 124.5 | 74% | 0.74 | 75% | 0.751 | S | S | * | * | | | | -157.8 | -174.1 | 97.4 | 40.9 | -21 | 0 | 0 | 0 | 117.8 | | |
| 179 | I | 30 | Very low | 33.2 | Very low | 164 Ų | 164 | 122.8 Ų | 122.8 | 84% | 0.841 | 75% | 0.745 | S | S | * | * | | | trans | 97.1 | 138.5 | 159.6 | -61.8 | 163.8 | 0 | 0 | 0 | 117.7 | | |
| 180 | A | 30.4 | Very low | 32.9 | Very low | 81 Ų | 81 | 126.8 Ų | 126.8 | 67% | 0.669 | 75% | 0.75 | S | S | * | * | | | trans | -123.6 | 179.9 | -171.7 | 0 | 0 | 0 | 0 | 0 | 112 | | |
| 181 | P | 48.3 | Very low | 32.9 | Very low | 121 Ų | 121 | 129.4 Ų | 129.4 | 79% | 0.786 | 75% | 0.751 | S | S | * | * | | | | -129.5 | -164.6 | 84.3 | 27.4 | -6.2 | 0 | 0 | 0 | 111.5 | | |
| 182 | S | 29.1 | Very low | 33.8 | Very low | 111 Ų | 111 | 128.6 Ų | 128.6 | 78% | 0.776 | 74% | 0.743 | S | S | * | * | | | cis | -155.3 | -178.2 | 24.9 | -55.8 | 0 | 0 | 0 | 0 | 113.5 | | |
| 183 | E | 28.2 | Very low | 33.9 | Very low | 179 Ų | 179 | 127.3 Ų | 127.3 | 84% | 0.836 | 74% | 0.739 | S | S | * | * | | | trans | -147 | 179.4 | -179.5 | -123.9 | -154.5 | 164.6 | 0 | 0 | 108.7 | | |
| 184 | P | 44.7 | Very low | 34 | Very low | 90 Ų | 90 | 125.3 Ų | 125.3 | 58% | 0.584 | 73% | 0.727 | S | S | * | * | | | cis | -143.1 | 177.2 | -2.1 | 39 | -18.3 | 0 | 0 | 0 | 119.1 | | |
| 185 | K | 30.4 | Very low | 34 | Very low | 175 Ų | 175 | 125 Ų | 125 | 76% | 0.761 | 72% | 0.721 | S | S | * | * | | | trans | 91.1 | 115.8 | 133.5 | -95.9 | 164.1 | -178.9 | 165.8 | 0 | 125.3 | | |
| 186 | T | 30 | Very low | 34.2 | Very low | 114 Ų | 114 | 121.7 Ų | 121.7 | 70% | 0.699 | 71% | 0.707 | S | S | * | * | | | trans | 65.5 | 144.8 | 136.2 | 50.8 | 0 | 0 | 0 | 0 | 119.5 | | |
| 187 | N | 29 | Very low | 34.9 | Very low | 136 Ų | 136 | 120.2 Ų | 120.2 | 73% | 0.727 | 70% | 0.695 | S | S | * | * | | | cis | -166 | 177.7 | 7.9 | -105 | -8.7 | 0 | 0 | 0 | 109.2 | | |
| 188 | L | 29.3 | Very low | 34.9 | Very low | 141 Ų | 141 | 122.2 Ų | 122.2 | 74% | 0.738 | 69% | 0.693 | S | S | * | * | | | cis | 179.9 | 164.4 | -34.9 | -164.9 | 68.9 | 0 | 0 | 0 | 110 | | |
| 189 | I | 31.1 | Very low | 34.8 | Very low | 135 Ų | 135 | 122.3 Ų | 122.3 | 69% | 0.692 | 69% | 0.693 | S | S | * | * | | | trans | 85.1 | 122.3 | 161.2 | -53.2 | -171.1 | 0 | 0 | 0 | 120.3 | | |
| 190 | K | 27.8 | Very low | 34.9 | Very low | 186 Ų | 186 | 124.2 Ų | 124.2 | 81% | 0.809 | 70% | 0.696 | S | S | * | * | | | trans | 62.5 | 129.6 | 156.7 | -75.2 | 173.6 | -179.6 | 179.2 | 0 | 119.6 | | |
| 191 | V | 29.7 | Very low | 34.8 | Very low | 128 Ų | 128 | 124.1 Ų | 124.1 | 78% | 0.776 | 70% | 0.703 | S | S | * | * | | | cis | 71.7 | 132.9 | 6.4 | 141.2 | 0 | 0 | 0 | 0 | 116.5 | | |
| 192 | P | 49.6 | Very low | 34.3 | Very low | 100 Ų | 100 | 125.1 Ų | 125.1 | 65% | 0.649 | 71% | 0.706 | S | S | * | * | | | cis | -142.6 | -173 | -13.6 | 41.2 | -21.7 | 0 | 0 | 0 | 116.4 | | |
| 193 | S | 36.2 | Very low | 34.9 | Very low | 94 Ų | 94 | 126 Ų | 126 | 66% | 0.657 | 71% | 0.709 | S | S | * | * | | | trans | 69.4 | 149.1 | 139.5 | -76.1 | 0 | 0 | 0 | 0 | 121.5 | | |
| 194 | E | 32.8 | Very low | 35.1 | Very low | 105 Ų | 105 | 122.4 Ų | 122.4 | 49% | 0.491 | 70% | 0.704 | S | S | . | * | | | cis | 179.2 | -157.9 | -5.5 | -178.8 | 160.3 | -175.1 | 0 | 0 | 108.9 | V706 N707 | E194-V706 WeakPolarHBondContact OE1-CG1 3.32Å; E194-N707 WeakPolarHBondContact CG-O 3.02Å |
| 195 | V | 29 | Very low | 35.3 | Very low | 92 Ų | 92 | 123.8 Ų | 123.8 | 56% | 0.558 | 71% | 0.713 | S | S | * | * | | | trans | 102.4 | 126.1 | 153.6 | -172.3 | 0 | 0 | 0 | 0 | 120.7 | M708 | V195-M708 VanDerWaalsContact CA-O 3.27Å; V195-M708 WeakPolarHBondContact CA-O 3.43Å; V195-M708 VanDerWaalsContact CG2-O 3.29Å; V195-M708 WeakPolarHBondContact CG2-O 3.33Å |
| 196 | V | 34.4 | Very low | 36.7 | Very low | 93 Ų | 93 | 120.8 Ų | 120.8 | 56% | 0.564 | 71% | 0.711 | S | S | * | * | | | trans | -154.3 | 129.3 | 178.7 | 168.8 | 0 | 0 | 0 | 0 | 108.7 | M708 | V196-M708 VanDerWaalsContact O-CA 3.28Å; V196-M708 WeakPolarHBondContact O-CA 2.91Å; V196-M708 VanDerWaalsContact O-CE 3.3Å; V196-M708 WeakPolarHBondContact O-CE 3.04Å; V196-M708 PolarHBondContact O-N 2.7Å |
| 197 | P | 50 | Low | 36.4 | Very low | 72 Ų | 72 | 121 Ų | 121 | 47% | 0.468 | 72% | 0.716 | S | S | . | * | | | | -160 | 178.9 | 106.1 | 39.6 | -17.3 | 0 | 0 | 0 | 119.7 | M708 P709 T710 | P197-M708 HydrophobicContact CB-CE 4.09Å; P197-P709 WeakPolarHBondContact CD-O 3.48Å; P197-P709 WeakPolarHBondContact CG-O 3.33Å; P197-T710 HydrophobicContact CG-CG2 4.16Å |
| 198 | N | 33.6 | Very low | 36.5 | Very low | 136 Ų | 136 | 121.8 Ų | 121.8 | 73% | 0.727 | 72% | 0.719 | S | S | * | * | | | trans | -87.2 | 166.6 | 172.3 | -169 | -1.6 | 0 | 0 | 0 | 112 | K200 | N198-K200 PolarHBondContact OD1-N 3.28Å; N198-K200 VanDerWaalsContact OD1-N 3.12Å |
| 199 | P | 46.8 | Very low | 36.5 | Very low | 116 Ų | 116 | 121.6 Ų | 121.6 | 75% | 0.753 | 72% | 0.723 | S | S | * | * | | | | -154 | 136.4 | 96.7 | 37.6 | -17.9 | 0 | 0 | 0 | 119.3 | | |
| 200 | K | 32.1 | Very low | 36.5 | Very low | 204 Ų | 204 | 119.4 Ų | 119.4 | 89% | 0.887 | 72% | 0.72 | S | S | * | * | | | trans | 51.6 | 127.5 | 141.9 | -75.3 | -172.1 | 172.4 | -176.2 | 0 | 122.7 | N198 | N198-K200 PolarHBondContact OD1-N 3.28Å; N198-K200 VanDerWaalsContact OD1-N 3.12Å |
| 201 | G | 30 | Very low | 36.6 | Very low | 79 Ų | 79 | 117.2 Ų | 117.2 | 81% | 0.814 | 72% | 0.722 | S | S | * | * | | | trans | 173 | 126.1 | 150 | 0 | 0 | 0 | 0 | 0 | 115.1 | | |
| 202 | T | 35.8 | Very low | 36.7 | Very low | 141 Ų | 141 | 117.3 Ų | 117.3 | 87% | 0.865 | 72% | 0.723 | S | S | * | * | | | trans | -132.6 | 163.6 | 172.2 | 43.9 | 0 | 0 | 0 | 0 | 108.9 | | |
| 203 | P | 43 | Very low | 37.1 | Very low | 129 Ų | 129 | 116.6 Ų | 116.6 | 84% | 0.838 | 72% | 0.718 | S | S | * | * | | | cis | -129.4 | -146.7 | 18.5 | 43.2 | -24.5 | 0 | 0 | 0 | 114.5 | | |
| 204 | S | 33.2 | Very low | 37 | Very low | 105 Ų | 105 | 121.9 Ų | 121.9 | 73% | 0.734 | 73% | 0.725 | S | S | * | * | | | trans | -127.3 | -179.5 | -167.8 | 65.3 | 0 | 0 | 0 | 0 | 112.5 | | |
| 205 | P | 48.9 | Very low | 37 | Very low | 119 Ų | 119 | 125.1 Ų | 125.1 | 77% | 0.773 | 74% | 0.74 | S | S | * | * | | | cis | -122 | -121.7 | -12.2 | 28.2 | -2.6 | 0 | 0 | 0 | 113.4 | | |
| 206 | P | 58.2 | Low | 37 | Very low | 111 Ų | 111 | 126.5 Ų | 126.5 | 72% | 0.721 | 75% | 0.753 | S | S | * | * | | | | -129.8 | 157.3 | -127.5 | 39.3 | -19.2 | 0 | 0 | 0 | 118.9 | | |
| 207 | C | 24.4 | Very low | 37 | Very low | 118 Ų | 118 | 128.9 Ų | 128.9 | 80% | 0.797 | 77% | 0.767 | S | S | * | * | | | trans | -166.4 | 123.1 | 158.3 | -103.4 | 0 | 0 | 0 | 0 | 117.1 | | |
| 208 | I | 30.9 | Very low | 36.3 | Very low | 154 Ų | 154 | 131.2 Ų | 131.2 | 79% | 0.79 | 78% | 0.78 | S | S | * | * | | | trans | 45.1 | 153 | 132.9 | -31.5 | 173.7 | 0 | 0 | 0 | 122.5 | | |
| 209 | V | 30.1 | Very low | 37.4 | Very low | 137 Ų | 137 | 130.6 Ų | 130.6 | 83% | 0.83 | 78% | 0.783 | S | S | * | * | | | trans | 98.6 | 139.7 | 156.5 | -175.6 | 0 | 0 | 0 | 0 | 116 | | |
| 210 | S | 31.1 | Very low | 36.8 | Very low | 89 Ų | 89 | 132 Ų | 132 | 62% | 0.622 | 79% | 0.789 | S | S | * | * | | | cis | 179.4 | 159.5 | -28.3 | -176.4 | 0 | 0 | 0 | 0 | 108.9 | | |
| 211 | T | 28.9 | Very low | 36.8 | Very low | 139 Ų | 139 | 127 Ų | 127 | 85% | 0.853 | 79% | 0.786 | S | S | * | * | | | trans | -171.3 | 155.1 | 139.3 | 13.5 | 0 | 0 | 0 | 0 | 114.6 | | |
| 212 | V | 31.6 | Very low | 36.9 | Very low | 130 Ų | 130 | 128.1 Ų | 128.1 | 79% | 0.788 | 78% | 0.782 | S | S | * | * | | | trans | -158.6 | -173.5 | -179.7 | -117.3 | 0 | 0 | 0 | 0 | 106.8 | | |
| 213 | P | 57.8 | Low | 36.7 | Very low | 86 Ų | 86 | 127.6 Ų | 127.6 | 56% | 0.558 | 78% | 0.778 | S | S | * | * | | | cis | -142.3 | -142.2 | 16.4 | 44.6 | -21.6 | 0 | 0 | 0 | 114.9 | | |
| 214 | Y | 34.3 | Very low | 36.2 | Very low | 205 Ų | 205 | 130 Ų | 130 | 80% | 0.804 | 78% | 0.778 | S | S | * | * | | | trans | 94.4 | 132 | 164.2 | -56.6 | -56.6 | 0 | 0 | 0 | 118.4 | | |
| 215 | H | 33.4 | Very low | 36.2 | Very low | 173 Ų | 173 | 130.8 Ų | 130.8 | 80% | 0.801 | 78% | 0.783 | S | S | * | * | | | cis | -161.4 | 174.1 | -2.2 | 50.6 | -75 | 0 | 0 | 0 | 112.3 | | |
| 216 | C | 29.5 | Very low | 35.3 | Very low | 121 Ų | 121 | 128 Ų | 128 | 82% | 0.818 | 78% | 0.777 | S | S | * | * | | | trans | -127.4 | 168.2 | -178.1 | -52.5 | 0 | 0 | 0 | 0 | 112 | | |
| 217 | V | 33.8 | Very low | 34 | Very low | 143 Ų | 143 | 131.3 Ų | 131.3 | 87% | 0.867 | 79% | 0.785 | S | S | * | * | | | trans | 177.7 | 154.4 | 143.5 | 140 | 0 | 0 | 0 | 0 | 112.5 | | |
| 218 | T | 35.7 | Very low | 34.2 | Very low | 120 Ų | 120 | 129.9 Ų | 129.9 | 74% | 0.736 | 78% | 0.782 | S | S | * | * | | | trans | -128.7 | 158.6 | 175.8 | -23.1 | 0 | 0 | 0 | 0 | 111 | | |
| 219 | P | 55.3 | Low | 34.1 | Very low | 123 Ų | 123 | 127.5 Ų | 127.5 | 80% | 0.799 | 78% | 0.778 | S | S | * | * | | | | -145.9 | -166.7 | 128.8 | 36.5 | -18.5 | 0 | 0 | 0 | 114.9 | | |
| 220 | V | 34.5 | Very low | 34.1 | Very low | 145 Ų | 145 | 127.2 Ų | 127.2 | 88% | 0.879 | 77% | 0.772 | S | S | * | * | | | trans | -131.1 | 141.1 | -152.3 | -173.9 | 0 | 0 | 0 | 0 | 114.8 | | |
| 221 | A | 32.8 | Very low | 34.8 | Very low | 99 Ų | 99 | 128.3 Ų | 128.3 | 82% | 0.818 | 78% | 0.776 | S | S | * | * | | | trans | -169.3 | 172.1 | 164.5 | 0 | 0 | 0 | 0 | 0 | 111.3 | | |
| 222 | S | 32.4 | Very low | 34.8 | Very low | 104 Ų | 104 | 128.6 Ų | 128.6 | 73% | 0.727 | 77% | 0.768 | S | S | * | * | | | cis | -175.5 | 162 | -43.5 | -164.8 | 0 | 0 | 0 | 0 | 110.5 | | |
| 223 | V | 31.2 | Very low | 34.5 | Very low | 130 Ų | 130 | 127.6 Ų | 127.6 | 79% | 0.788 | 76% | 0.762 | S | S | * | * | | | trans | 68.1 | 161.3 | 168.7 | -170.2 | 0 | 0 | 0 | 0 | 116 | | |
| 224 | Q | 32.6 | Very low | 33 | Very low | 178 Ų | 178 | 129.5 Ų | 129.5 | 83% | 0.832 | 77% | 0.773 | S | S | * | * | | | | -170.9 | 155.9 | -56.2 | -173.4 | 171.7 | -6.4 | 0 | 0 | 110.3 | | |
| 225 | S | 31.9 | Very low | 33.5 | Very low | 122 Ų | 122 | 125.4 Ų | 125.4 | 85% | 0.853 | 77% | 0.771 | S | S | * | * | | | trans | 105.9 | 145.7 | 154.8 | -155.3 | 0 | 0 | 0 | 0 | 120.9 | | |
| 226 | G | 29.8 | Very low | 33.3 | Very low | 62 Ų | 62 | 123.3 Ų | 123.3 | 64% | 0.639 | 77% | 0.771 | S | S | * | * | | | trans | 87.9 | 95.6 | 169.7 | 0 | 0 | 0 | 0 | 0 | 116.3 | | |
| 227 | M | 30.8 | Very low | 33.2 | Very low | 180 Ų | 180 | 123.6 Ų | 123.6 | 89% | 0.887 | 77% | 0.769 | S | S | * | * | | | | 68 | 122.4 | 53 | -56.4 | -67.3 | 100.3 | 0 | 0 | 113.9 | | |
| 228 | A | 29.5 | Very low | 32.9 | Very low | 88 Ų | 88 | 122.3 Ų | 122.3 | 73% | 0.727 | 76% | 0.762 | S | S | * | * | | | cis | -155.7 | -172.1 | -8.1 | 0 | 0 | 0 | 0 | 0 | 107.9 | | |
| 229 | S | 29.6 | Very low | 32.5 | Very low | 103 Ų | 103 | 124.3 Ų | 124.3 | 72% | 0.72 | 77% | 0.767 | S | S | * | * | | | cis | -156.5 | 151 | 10.1 | -118 | 0 | 0 | 0 | 0 | 107.8 | | |
| 230 | L | 30.2 | Very low | 31.1 | Very low | 132 Ų | 132 | 122 Ų | 122 | 69% | 0.691 | 76% | 0.758 | S | S | * | * | | | | 72.9 | 133.8 | 73.2 | -156.1 | 76.5 | 0 | 0 | 0 | 114.4 | Q232 | L230-Q232 HydrophobicContact CD1-CG 3.76Š|
| 231 | P | 45.6 | Very low | 30.8 | Very low | 111 Ų | 111 | 122.2 Ų | 122.2 | 72% | 0.721 | 75% | 0.753 | S | S | * | * | | | cis | -114.5 | -174.7 | 4.9 | 11.6 | 14 | 0 | 0 | 0 | 114.1 | | |
| 232 | Q | 28.4 | Very low | 30.6 | Very low | 145 Ų | 145 | 122.8 Ų | 122.8 | 68% | 0.678 | 75% | 0.746 | S | S | * | * | | | cis | -171.2 | 132.4 | -33.2 | -97.3 | 179.7 | -29.5 | 0 | 0 | 105 | L230 | L230-Q232 HydrophobicContact CD1-CG 3.76Š|
| 233 | T | 25.9 | Very low | 30.5 | Very low | 109 Ų | 109 | 123 Ų | 123 | 67% | 0.669 | 75% | 0.748 | S | S | * | * | | | | 60.7 | 151.7 | 72.7 | 71.3 | 0 | 0 | 0 | 0 | 117.5 | | |
| 234 | T | 26.2 | Very low | 30.3 | Very low | 127 Ų | 127 | 124.4 Ų | 124.4 | 78% | 0.779 | 75% | 0.75 | S | S | * | * | | | trans | 92.6 | 152.5 | 164.7 | 74.9 | 0 | 0 | 0 | 0 | 118.2 | | |
| 235 | P | 44.2 | Very low | 30.4 | Very low | 118 Ų | 118 | 124.2 Ų | 124.2 | 77% | 0.766 | 75% | 0.749 | S | S | * | * | | | cis | -139.2 | 171.8 | -42.4 | 38 | -23 | 0 | 0 | 0 | 115.2 | | |
| 236 | T | 29.3 | Very low | 30.1 | Very low | 130 Ų | 130 | 124 Ų | 124 | 80% | 0.798 | 74% | 0.743 | S | S | * | * | | | trans | -61.1 | 136.5 | 157 | -53 | 0 | 0 | 0 | 0 | 111.8 | | |
| 237 | T | 27.2 | Very low | 30 | Very low | 126 Ų | 126 | 129.1 Ų | 129.1 | 77% | 0.773 | 75% | 0.747 | S | S | * | * | | | trans | -176.1 | 126.8 | 135.3 | -77.3 | 0 | 0 | 0 | 0 | 112.8 | | |
| 238 | T | 28.2 | Very low | 29.8 | Very low | 117 Ų | 117 | 126.7 Ų | 126.7 | 72% | 0.718 | 74% | 0.738 | S | S | * | * | | | trans | 4.4 | 122.9 | 150.1 | -44.7 | 0 | 0 | 0 | 0 | 120.5 | | |
| 239 | L | 26.5 | Very low | 29.7 | Very low | 162 Ų | 162 | 128.1 Ų | 128.1 | 85% | 0.848 | 74% | 0.738 | S | S | * | * | | | | -171 | 160.5 | 112.9 | -101.3 | 174.4 | 0 | 0 | 0 | 114.6 | | |
| 240 | A | 26.8 | Very low | 29.6 | Very low | 74 Ų | 74 | 129.2 Ų | 129.2 | 61% | 0.612 | 74% | 0.74 | S | S | * | * | | | trans | -26.8 | 158.9 | 164.6 | 0 | 0 | 0 | 0 | 0 | 119.4 | | |
| 241 | I | 28.6 | Very low | 29.6 | Very low | 149 Ų | 149 | 130 Ų | 130 | 76% | 0.764 | 74% | 0.743 | S | S | * | * | | | cis | -162.2 | 147.9 | 1.2 | -115.5 | 166.2 | 0 | 0 | 0 | 111.6 | | |
| 242 | T | 27.8 | Very low | 28.7 | Very low | 112 Ų | 112 | 129.7 Ų | 129.7 | 69% | 0.687 | 74% | 0.744 | S | S | * | * | | | trans | 20.7 | 152.3 | 160.8 | 70.2 | 0 | 0 | 0 | 0 | 125 | | |
| 243 | S | 29.7 | Very low | 28.7 | Very low | 109 Ų | 109 | 128.5 Ų | 128.5 | 76% | 0.762 | 75% | 0.752 | S | S | * | * | | | trans | 75.5 | 153.9 | 143.6 | -77 | 0 | 0 | 0 | 0 | 118.5 | | |
| 244 | L | 27.1 | Very low | 28.8 | Very low | 159 Ų | 159 | 127.8 Ų | 127.8 | 83% | 0.832 | 76% | 0.757 | S | S | * | * | | | cis | -159.8 | 165.7 | -20.6 | -170.7 | 67.8 | 0 | 0 | 0 | 106.9 | | |
| 245 | Q | 35.8 | Very low | 29 | Very low | 174 Ų | 174 | 128.9 Ų | 128.9 | 81% | 0.813 | 76% | 0.757 | S | S | * | * | | | trans | -70.1 | 153 | 159.4 | -60.6 | -173.1 | 8.3 | 0 | 0 | 110.7 | | |
| 246 | V | 25.7 | Very low | 28.3 | Very low | 117 Ų | 117 | 129 Ų | 129 | 71% | 0.709 | 76% | 0.756 | S | S | * | * | | | trans | 172.7 | 123.2 | 136.1 | 146.7 | 0 | 0 | 0 | 0 | 112.2 | | |
| 247 | K | 27.3 | Very low | 28.3 | Very low | 169 Ų | 169 | 128 Ų | 128 | 74% | 0.735 | 76% | 0.755 | S | S | * | * | | | trans | 21.6 | 160 | 136.8 | -29.4 | 168.6 | -171.9 | 173.1 | 0 | 124 | | |
| 248 | D | 26.2 | Very low | 29.2 | Very low | 130 Ų | 130 | 127.4 Ų | 127.4 | 70% | 0.695 | 75% | 0.752 | S | S | * | * | | | trans | 77.2 | 110.1 | 134 | -78.8 | -44.3 | 0 | 0 | 0 | 123 | | |
| 249 | T | 27.2 | Very low | 29.1 | Very low | 117 Ų | 117 | 130.5 Ų | 130.5 | 72% | 0.718 | 76% | 0.759 | S | S | * | * | | | | 47.9 | 109.3 | 129.9 | 38.7 | 0 | 0 | 0 | 0 | 123.8 | | |
| 250 | T | 29 | Very low | 29.1 | Very low | 127 Ų | 127 | 129.7 Ų | 129.7 | 78% | 0.779 | 76% | 0.755 | S | S | * | * | | | | 86.3 | 155.2 | 129.6 | -39.1 | 0 | 0 | 0 | 0 | 120.3 | | |
| 251 | I | 28.3 | Very low | 29.8 | Very low | 147 Ų | 147 | 132.4 Ų | 132.4 | 75% | 0.754 | 77% | 0.767 | S | S | * | * | | | trans | 91.9 | 83.6 | 163.3 | -43.2 | -179.9 | 0 | 0 | 0 | 119 | | |
| 252 | S | 27.1 | Very low | 29.7 | Very low | 106 Ų | 106 | 128.2 Ų | 128.2 | 74% | 0.741 | 76% | 0.761 | S | S | * | * | | | | 64.3 | 140.9 | 123.9 | -49.5 | 0 | 0 | 0 | 0 | 125.9 | | |
| 253 | S | 29.8 | Very low | 29.7 | Very low | 120 Ų | 120 | 127.3 Ų | 127.3 | 84% | 0.839 | 76% | 0.759 | S | S | * | * | | | trans | 103.6 | 155.3 | 136.7 | -68.7 | 0 | 0 | 0 | 0 | 122.2 | | |
| 254 | A | 27.6 | Very low | 29.8 | Very low | 94 Ų | 94 | 126.5 Ų | 126.5 | 78% | 0.777 | 75% | 0.746 | S | S | * | * | | | trans | 76.5 | 139.8 | 176.2 | 0 | 0 | 0 | 0 | 0 | 117.3 | | |
| 255 | L | 30.3 | Very low | 29.9 | Very low | 150 Ų | 150 | 122.3 Ų | 122.3 | 79% | 0.785 | 73% | 0.729 | S | S | * | * | | | cis | -158.6 | 150.9 | -6.1 | -112.4 | 165.8 | 0 | 0 | 0 | 110.7 | | |
| 256 | T | 29.3 | Very low | 29.7 | Very low | 120 Ų | 120 | 120.6 Ų | 120.6 | 74% | 0.736 | 73% | 0.725 | S | S | * | * | | | trans | 49.8 | 118.4 | 163.2 | 47.7 | 0 | 0 | 0 | 0 | 120 | | |
| 257 | S | 28.2 | Very low | 29.8 | Very low | 110 Ų | 110 | 123.1 Ų | 123.1 | 77% | 0.769 | 73% | 0.726 | S | S | * | * | | | cis | 73 | 143.6 | 39.4 | -161.7 | 0 | 0 | 0 | 0 | 113.7 | | |
| 258 | P | 46.2 | Very low | 29.8 | Very low | 112 Ų | 112 | 118.6 Ų | 118.6 | 73% | 0.727 | 73% | 0.728 | S | S | * | * | | | cis | -109.7 | -169.1 | 7.7 | 39 | -23.7 | 0 | 0 | 0 | 112.9 | | |
| 259 | Q | 26.6 | Very low | 30.8 | Very low | 183 Ų | 183 | 118.4 Ų | 118.4 | 86% | 0.855 | 73% | 0.734 | S | S | * | * | | | cis | -142.2 | 176.4 | 18.6 | -57.8 | -179.6 | 4.2 | 0 | 0 | 113.9 | | |
| 260 | N | 25.8 | Very low | 30.9 | Very low | 144 Ų | 144 | 119.1 Ų | 119.1 | 77% | 0.77 | 74% | 0.738 | S | S | * | * | | | trans | -152.1 | 168.1 | 162.2 | -136.6 | -27.2 | 0 | 0 | 0 | 105.9 | | |
| 261 | P | 41.5 | Very low | 30.9 | Very low | 131 Ų | 131 | 118.1 Ų | 118.1 | 85% | 0.851 | 74% | 0.736 | S | S | * | * | | | cis | -127.8 | 180 | 44.5 | 21.8 | 3.3 | 0 | 0 | 0 | 113.5 | | |
| 262 | G | 27.4 | Very low | 31.8 | Very low | 62 Ų | 62 | 117 Ų | 117 | 64% | 0.639 | 74% | 0.738 | S | S | * | * | | | cis | -178.5 | -174.4 | -1.7 | 0 | 0 | 0 | 0 | 0 | 112 | | |
| 263 | S | 28.6 | Very low | 31.8 | Very low | 93 Ų | 93 | 117.5 Ų | 117.5 | 65% | 0.65 | 74% | 0.742 | S | S | * | * | | | trans | -69.8 | 178.2 | 171.3 | 30.1 | 0 | 0 | 0 | 0 | 111.6 | | |
| 264 | L | 30.1 | Very low | 31.7 | Very low | 92 Ų | 92 | 116.5 Ų | 116.5 | 48% | 0.482 | 74% | 0.741 | S | S | . | * | | | | 163.6 | 119.8 | 90.8 | -83 | 157.2 | 0 | 0 | 0 | 113.9 | A623 S624 E625 | L264-A623 CarbonylContact C-O 3.57Å; L264-A623 VanDerWaalsContact C-O 3.27Å; L264-A623 VanDerWaalsContact CA-O 3.27Å; L264-A623 WeakPolarHBondContact CA-O 3.44Å; L264-A623 WeakPolarHBondContact CB-O 3.42Å; L264-A623 WeakPolarHBondContact CD2-O 3.14Å; L264-A623 WeakPolarHBondContact CG-O 3.27Å; L264-S624 VanDerWaalsContact CB-CA 3.44Å; L264-E625 WeakPolarHBondContact O-CA 2.98Å; L264-E625 PolarHBondContact O-N 3.22Å |
| 265 | S | 29.2 | Very low | 31.9 | Very low | 70 Ų | 70 | 116.7 Ų | 116.7 | 49% | 0.49 | 74% | 0.742 | S | S | . | * | | | trans | 47.7 | -174.5 | 158.7 | -62.7 | 0 | 0 | 0 | 0 | 123.3 | A622 A623 | S265-A622 WeakPolarHBondContact OG-CA 3.33Å; S265-A623 WeakPolarHBondContact CB-O 3.5Å; S265-A623 PolarHBondContact N-O 2.84Å; S265-A623 WeakPolarHBondContact OG-CA 2.95Å; S265-A623 PolarHBondContact OG-N 2.78Å; S265-A623 PolarHBondContact OG-O 2.61Å |
| 266 | L | 31.8 | Very low | 31.8 | Very low | 138 Ų | 138 | 116.8 Ų | 116.8 | 72% | 0.723 | 74% | 0.743 | S | S | * | * | | | cis | -144.4 | -153.3 | 10.8 | -136.5 | 179.2 | 0 | 0 | 0 | 113.3 | | |
| 267 | K | 27.8 | Very low | 32.6 | Very low | 170 Ų | 170 | 116.3 Ų | 116.3 | 74% | 0.739 | 74% | 0.742 | S | S | * | * | | | trans | -123.7 | 104.2 | -161.1 | 178.5 | -161.1 | 172.9 | -167.5 | 0 | 114.2 | | |
| 268 | G | 28.4 | Very low | 32.5 | Very low | 75 Ų | 75 | 118.3 Ų | 118.3 | 77% | 0.773 | 74% | 0.743 | S | S | * | * | | | trans | 68.9 | -175 | 168 | 0 | 0 | 0 | 0 | 0 | 115.6 | | |
| 269 | P | 46.7 | Very low | 31.7 | Very low | 125 Ų | 125 | 117 Ų | 117 | 81% | 0.812 | 74% | 0.736 | S | S | * | * | | | cis | -131.9 | -148.6 | 3 | 39 | -18.3 | 0 | 0 | 0 | 113.4 | | |
| 270 | V | 29 | Very low | 31.8 | Very low | 133 Ų | 133 | 113.9 Ų | 113.9 | 81% | 0.806 | 73% | 0.73 | S | S | * | * | | | trans | 94.9 | 118.1 | 165.2 | -170.7 | 0 | 0 | 0 | 0 | 118.2 | | |
| 271 | S | 30.3 | Very low | 32.1 | Very low | 106 Ų | 106 | 114.8 Ų | 114.8 | 74% | 0.741 | 73% | 0.73 | S | S | * | * | | | trans | -99 | 163.3 | 166.1 | -35.1 | 0 | 0 | 0 | 0 | 110.9 | | |
| 272 | P | 45.8 | Very low | 31.7 | Very low | 123 Ų | 123 | 113.1 Ų | 113.1 | 80% | 0.799 | 72% | 0.721 | S | S | * | * | | | | -132 | 152.9 | 100.8 | 34 | -23.7 | 0 | 0 | 0 | 112 | | |
| 273 | S | 27.2 | Very low | 32.1 | Very low | 117 Ų | 117 | 117.8 Ų | 117.8 | 82% | 0.818 | 73% | 0.731 | S | S | * | * | | | cis | 90.6 | 148.5 | 34.4 | -161.3 | 0 | 0 | 0 | 0 | 114 | | |
| 274 | A | 28.2 | Very low | 32.8 | Very low | 99 Ų | 99 | 118.6 Ų | 118.6 | 82% | 0.818 | 73% | 0.734 | S | S | * | * | | | trans | 71.7 | 133.2 | -160.7 | 0 | 0 | 0 | 0 | 0 | 114.7 | | |
| 275 | A | 31.4 | Very low | 32.7 | Very low | 97 Ų | 97 | 120.1 Ų | 120.1 | 80% | 0.802 | 75% | 0.746 | S | S | * | * | | | cis | -139.8 | 152.1 | -0.3 | 0 | 0 | 0 | 0 | 0 | 114 | | |
| 276 | L | 29.3 | Very low | 32.6 | Very low | 153 Ų | 153 | 122.3 Ų | 122.3 | 80% | 0.801 | 76% | 0.757 | S | S | * | * | | | trans | -84.2 | -173.9 | 167.9 | -72.7 | 167.2 | 0 | 0 | 0 | 109.3 | | |
| 277 | P | 45.7 | Very low | 32.6 | Very low | 110 Ų | 110 | 121.8 Ų | 121.8 | 71% | 0.714 | 76% | 0.759 | S | S | * | * | | | cis | -138.1 | 169.9 | 7.5 | 16.7 | 11.9 | 0 | 0 | 0 | 118.4 | | |
| 278 | L | 26.2 | Very low | 32.8 | Very low | 151 Ų | 151 | 118.5 Ų | 118.5 | 79% | 0.791 | 76% | 0.758 | S | S | * | * | | | trans | 17.8 | 154.6 | 132.8 | -76.8 | 65.1 | 0 | 0 | 0 | 120.3 | | |
| 279 | S | 29.3 | Very low | 33.1 | Very low | 84 Ų | 84 | 120 Ų | 120 | 59% | 0.587 | 76% | 0.757 | S | S | * | * | | | cis | 177.5 | 165.8 | -4.4 | 166.4 | 0 | 0 | 0 | 0 | 109.3 | | |
| 280 | T | 28.9 | Very low | 32.6 | Very low | 118 Ų | 118 | 122.8 Ų | 122.8 | 72% | 0.724 | 76% | 0.759 | S | S | * | * | | | trans | 67.3 | 156 | 154 | 23.6 | 0 | 0 | 0 | 0 | 116.8 | | |
| 281 | Q | 32.3 | Very low | 32.8 | Very low | 164 Ų | 164 | 125.1 Ų | 125.1 | 77% | 0.766 | 76% | 0.758 | S | S | * | * | | | cis | -151.6 | 164.2 | -6.6 | -153.5 | 168.7 | 38.7 | 0 | 0 | 109.4 | | |
| 282 | S | 31.6 | Very low | 32.8 | Very low | 95 Ų | 95 | 125.4 Ų | 125.4 | 66% | 0.664 | 76% | 0.755 | S | S | * | * | | | trans | 34 | 129.5 | 148.6 | 58.8 | 0 | 0 | 0 | 0 | 122.7 | | |
| 283 | L | 36.3 | Very low | 32.2 | Very low | 161 Ų | 161 | 125.8 Ų | 125.8 | 84% | 0.843 | 76% | 0.755 | S | S | * | * | | | trans | -31.2 | 151.7 | 142 | -67 | 169.7 | 0 | 0 | 0 | 113.1 | | |
| 284 | P | 43.3 | Very low | 32.4 | Very low | 110 Ų | 110 | 123 Ų | 123 | 71% | 0.714 | 75% | 0.745 | S | S | * | * | | | | -160.3 | -176.6 | 55.6 | 42.7 | -19.8 | 0 | 0 | 0 | 119.8 | | |
| 285 | V | 27.5 | Very low | 33.4 | Very low | 123 Ų | 123 | 123.5 Ų | 123.5 | 75% | 0.745 | 74% | 0.74 | S | S | * | * | | | trans | 77.1 | 106.9 | 137.5 | 152.6 | 0 | 0 | 0 | 0 | 121.7 | | |
| 286 | V | 28.3 | Very low | 33.3 | Very low | 117 Ų | 117 | 126.2 Ų | 126.2 | 71% | 0.709 | 74% | 0.741 | S | S | * | * | | | | 81 | 149.8 | 123.4 | 175.9 | 0 | 0 | 0 | 0 | 122.2 | | |
| 287 | T | 31.1 | Very low | 33.3 | Very low | 126 Ų | 126 | 125 Ų | 125 | 77% | 0.773 | 74% | 0.74 | S | S | * | * | | | trans | 77.8 | 103.1 | 160 | 36.6 | 0 | 0 | 0 | 0 | 122.6 | | |
| 288 | S | 32.7 | Very low | 34.1 | Very low | 101 Ų | 101 | 125 Ų | 125 | 71% | 0.706 | 74% | 0.74 | S | S | * | * | | | | 91.1 | 138.1 | 101.3 | -160.3 | 0 | 0 | 0 | 0 | 123 | | |
| 289 | S | 34 | Very low | 35.3 | Very low | 108 Ų | 108 | 123 Ų | 123 | 76% | 0.755 | 74% | 0.736 | S | S | * | * | | | trans | 96.2 | 146 | 140.3 | -75.6 | 0 | 0 | 0 | 0 | 123.5 | | |
| 290 | Q | 35.9 | Very low | 35.2 | Very low | 182 Ų | 182 | 125.1 Ų | 125.1 | 85% | 0.85 | 74% | 0.741 | S | S | * | * | | | trans | 87.3 | 109.3 | 163 | -123.8 | 168.1 | 118.9 | 0 | 0 | 117 | | |
| 291 | K | 34 | Very low | 35.3 | Very low | 182 Ų | 182 | 128.4 Ų | 128.4 | 79% | 0.791 | 75% | 0.745 | S | S | * | * | | | cis | 101.4 | 143 | 16.1 | -164.3 | -164.7 | 169.8 | -174.8 | 0 | 114.4 | | |
| 292 | T | 30.7 | Very low | 36.3 | Very low | 112 Ų | 112 | 125.4 Ų | 125.4 | 69% | 0.687 | 74% | 0.74 | S | S | * | * | | | trans | 80.6 | 145.6 | 164.6 | 2.1 | 0 | 0 | 0 | 0 | 113.7 | | |
| 293 | V | 31.9 | Very low | 36.2 | Very low | 132 Ų | 132 | 127.9 Ų | 127.9 | 80% | 0.8 | 74% | 0.744 | S | S | * | * | | | cis | -141.2 | 143.7 | 17.4 | -176.1 | 0 | 0 | 0 | 0 | 112.4 | | |
| 294 | G | 31.2 | Very low | 35.9 | Very low | 58 Ų | 58 | 129.8 Ų | 129.8 | 60% | 0.598 | 74% | 0.742 | S | S | * | * | | | trans | -122.7 | 178.9 | 149.2 | 0 | 0 | 0 | 0 | 0 | 108.4 | | |
| 295 | P | 50.3 | Low | 35.5 | Very low | 110 Ų | 110 | 131.4 Ų | 131.4 | 71% | 0.714 | 74% | 0.744 | S | S | * | * | | | | -167.8 | -176 | 80.5 | 46.2 | -25 | 0 | 0 | 0 | 119.5 | | |
| 296 | N | 28.4 | Very low | 35.6 | Very low | 153 Ų | 153 | 129 Ų | 129 | 82% | 0.818 | 74% | 0.744 | S | S | * | * | | | trans | 78.1 | 151.9 | 140.5 | -69.7 | -11.5 | 0 | 0 | 0 | 124.6 | | |
| 297 | T | 30 | Very low | 35.8 | Very low | 128 Ų | 128 | 127.6 Ų | 127.6 | 79% | 0.785 | 74% | 0.74 | S | S | * | * | | | trans | -149 | -169.3 | -172.9 | -38.7 | 0 | 0 | 0 | 0 | 107.8 | | |
| 298 | P | 61.3 | Low | 35.7 | Very low | 111 Ų | 111 | 129.5 Ų | 129.5 | 72% | 0.721 | 74% | 0.739 | S | S | * | * | | | | -84.2 | -156.3 | -91.6 | 40.9 | -25.4 | 0 | 0 | 0 | 113.3 | | |
| 299 | P | 52.2 | Low | 35.6 | Very low | 109 Ų | 109 | 132.7 Ų | 132.7 | 71% | 0.708 | 75% | 0.748 | S | S | * | * | | | | -150.7 | 163.4 | 70.6 | 39.5 | -17.6 | 0 | 0 | 0 | 119.5 | | |
| 300 | D | 27.7 | Very low | 35.7 | Very low | 127 Ų | 127 | 131.8 Ų | 131.8 | 68% | 0.679 | 75% | 0.746 | S | S | * | * | | | trans | 57.7 | 113.8 | 139.3 | -59.8 | -13.8 | 0 | 0 | 0 | 126.7 | | |
| 301 | F | 30.7 | Very low | 36 | Very low | 187 Ų | 187 | 128.5 Ų | 128.5 | 82% | 0.82 | 74% | 0.741 | S | S | * | * | | | | 57.9 | 167.8 | 120.7 | -69 | -56.7 | 0 | 0 | 0 | 123.7 | | |
| 302 | P | 53.6 | Low | 35.7 | Very low | 102 Ų | 102 | 127 Ų | 127 | 66% | 0.662 | 74% | 0.741 | S | S | * | * | | | cis | -143.2 | -167.2 | -38.2 | 40.6 | -21.8 | 0 | 0 | 0 | 116.1 | | |
| 303 | I | 29.4 | Very low | 35.5 | Very low | 146 Ų | 146 | 130.8 Ų | 130.8 | 75% | 0.749 | 74% | 0.744 | S | S | * | * | | | trans | 96.5 | 125.7 | 149.6 | -74.3 | 168.2 | 0 | 0 | 0 | 122.5 | | |
| 304 | Y | 29.1 | Very low | 35.4 | Very low | 201 Ų | 201 | 132.8 Ų | 132.8 | 79% | 0.788 | 74% | 0.744 | S | S | * | * | | | trans | 42.9 | 135.2 | 152.5 | -81.3 | -129.1 | 0 | 0 | 0 | 121.7 | | |
| 305 | L | 35 | Very low | 35.2 | Very low | 144 Ų | 144 | 134.4 Ų | 134.4 | 75% | 0.754 | 75% | 0.747 | S | S | * | * | | | cis | 88.9 | 119.1 | 40.5 | -160.2 | 92.4 | 0 | 0 | 0 | 113.6 | | |
| 306 | G | 29.1 | Very low | 34.6 | Very low | 74 Ų | 74 | 134.3 Ų | 134.3 | 76% | 0.763 | 75% | 0.748 | S | S | * | * | | | trans | -161.1 | 39 | -166.7 | 0 | 0 | 0 | 0 | 0 | 119.4 | | |
| 307 | S | 33 | Very low | 34.6 | Very low | 87 Ų | 87 | 136.5 Ų | 136.5 | 61% | 0.608 | 75% | 0.751 | S | S | * | * | | | trans | 42.2 | 148.8 | 141 | -44.3 | 0 | 0 | 0 | 0 | 126.6 | | |
| 308 | H | 29.8 | Very low | 34.6 | Very low | 166 Ų | 166 | 134 Ų | 134 | 77% | 0.769 | 75% | 0.751 | S | S | * | * | | | trans | 95.1 | 99.1 | 144.8 | -60.3 | -51.5 | 0 | 0 | 0 | 123.6 | | |
| 309 | L | 31.3 | Very low | 33.4 | Very low | 168 Ų | 168 | 133.8 Ų | 133.8 | 88% | 0.88 | 75% | 0.752 | S | S | * | * | | | | 55.5 | 144 | 119.1 | -71.5 | 165.6 | 0 | 0 | 0 | 123.5 | | |
| 310 | A | 35 | Very low | 32.2 | Very low | 88 Ų | 88 | 135.5 Ų | 135.5 | 73% | 0.727 | 76% | 0.76 | S | S | * | * | | | trans | -85.1 | 175.6 | 179.8 | 0 | 0 | 0 | 0 | 0 | 113.9 | | |
| 311 | P | 42.6 | Very low | 32.4 | Very low | 114 Ų | 114 | 137.3 Ų | 137.3 | 74% | 0.74 | 77% | 0.765 | S | S | * | * | | | | -159.6 | -169.1 | 87.9 | 44.7 | -24.6 | 0 | 0 | 0 | 117.7 | | |
| 312 | L | 27.8 | Very low | 33.6 | Very low | 150 Ų | 150 | 133.3 Ų | 133.3 | 79% | 0.785 | 76% | 0.757 | S | S | * | * | | | trans | 77.2 | 109.5 | 152.6 | -69 | 174.3 | 0 | 0 | 0 | 123.6 | | |
| 313 | Y | 26.2 | Very low | 32.4 | Very low | 191 Ų | 191 | 136 Ų | 136 | 75% | 0.749 | 77% | 0.765 | S | S | * | * | | | | 57.6 | 129.7 | 111.9 | -103.2 | -117.2 | 0 | 0 | 0 | 124.3 | | |
| 314 | Q | 29.8 | Very low | 32.3 | Very low | 174 Ų | 174 | 132.2 Ų | 132.2 | 81% | 0.813 | 76% | 0.762 | S | S | * | * | | | trans | 65.7 | 157.4 | 152.5 | -75.5 | 178.9 | 3.2 | 0 | 0 | 118 | | |
| 315 | S | 27.6 | Very low | 32.6 | Very low | 93 Ų | 93 | 130.6 Ų | 130.6 | 65% | 0.65 | 76% | 0.762 | S | S | * | * | | | cis | -139.8 | 177 | 13.6 | 61.8 | 0 | 0 | 0 | 0 | 113.4 | | |
| 316 | S | 37.5 | Very low | 32.5 | Very low | 107 Ų | 107 | 129.9 Ų | 129.9 | 75% | 0.748 | 76% | 0.764 | S | S | * | * | | | trans | -108.5 | 146.1 | 173.7 | 173.1 | 0 | 0 | 0 | 0 | 110.7 | | |
| 317 | F | 28.3 | Very low | 32.8 | Very low | 199 Ų | 199 | 131.1 Ų | 131.1 | 87% | 0.873 | 76% | 0.761 | S | S | * | * | | | trans | -144 | 140.7 | 162 | -79 | -73.2 | 0 | 0 | 0 | 111.9 | | |
| 318 | G | 29 | Very low | 33.6 | Very low | 76 Ų | 76 | 132.3 Ų | 132.3 | 78% | 0.784 | 77% | 0.767 | S | S | * | * | | | trans | -168.1 | 153.2 | 168.3 | 0 | 0 | 0 | 0 | 0 | 110 | | |
| 319 | S | 36.7 | Very low | 33.6 | Very low | 106 Ų | 106 | 129.6 Ų | 129.6 | 74% | 0.741 | 77% | 0.766 | S | S | * | * | | | trans | -177.4 | 139.3 | 169.9 | -176.8 | 0 | 0 | 0 | 0 | 109.9 | | |
| 320 | V | 27 | Very low | 33.6 | Very low | 146 Ų | 146 | 125.9 Ų | 125.9 | 89% | 0.885 | 76% | 0.76 | S | S | * | * | | | | -149.3 | 158 | 114.2 | 178.7 | 0 | 0 | 0 | 0 | 107.1 | | |
| 321 | Q | 32.4 | Very low | 33.4 | Very low | 165 Ų | 165 | 129.1 Ų | 129.1 | 77% | 0.771 | 76% | 0.764 | S | S | * | * | | | trans | -138 | -160.1 | -165.3 | -128.5 | -163.2 | -3.4 | 0 | 0 | 108.4 | | |
| 322 | P | 55.3 | Low | 32.8 | Very low | 102 Ų | 102 | 129.5 Ų | 129.5 | 66% | 0.662 | 76% | 0.764 | S | S | * | * | | | cis | -137.1 | -168 | -7.5 | 35.6 | -13 | 0 | 0 | 0 | 116 | | |
| 323 | L | 27.8 | Very low | 32.8 | Very low | 158 Ų | 158 | 129.1 Ų | 129.1 | 83% | 0.827 | 76% | 0.763 | S | S | * | * | | | trans | 83.9 | 127 | 148.5 | -156.2 | 71.7 | 0 | 0 | 0 | 117.4 | Q325 | L323-Q325 HydrophobicContact CD1-CG 4.19Š|
| 324 | G | 28.9 | Very low | 33.8 | Very low | 67 Ų | 67 | 124.4 Ų | 124.4 | 69% | 0.691 | 76% | 0.756 | S | S | * | * | | | cis | 154.7 | 161.8 | -3.3 | 0 | 0 | 0 | 0 | 0 | 110.8 | | |
| 325 | Q | 35.5 | Very low | 33.8 | Very low | 167 Ų | 167 | 121.6 Ų | 121.6 | 78% | 0.78 | 75% | 0.751 | S | S | * | * | | | cis | -136.7 | -139.9 | -0.3 | -60.8 | -174.3 | 72.3 | 0 | 0 | 108.9 | L323 | L323-Q325 HydrophobicContact CD1-CG 4.19Š|
| 326 | T | 31.7 | Very low | 34 | Very low | 129 Ų | 129 | 124 Ų | 124 | 79% | 0.791 | 76% | 0.761 | S | S | * | * | | | cis | -158.5 | -158.4 | 12.1 | -22.9 | 0 | 0 | 0 | 0 | 111.9 | | |
| 327 | S | 35.6 | Very low | 33.7 | Very low | 100 Ų | 100 | 127.1 Ų | 127.1 | 70% | 0.699 | 76% | 0.761 | S | S | * | * | | | trans | -109 | 179.2 | -167.2 | 60 | 0 | 0 | 0 | 0 | 115 | | |
| 328 | P | 50.1 | Low | 33.6 | Very low | 113 Ų | 113 | 123 Ų | 123 | 73% | 0.734 | 75% | 0.753 | S | S | * | * | | | cis | -135 | -172.2 | -2 | 34.5 | -12.7 | 0 | 0 | 0 | 116.1 | | |
| 329 | S | 30.5 | Very low | 33.8 | Very low | 108 Ų | 108 | 126 Ų | 126 | 76% | 0.755 | 75% | 0.749 | S | S | * | * | | | trans | 96.1 | 85.1 | 148.8 | -57.7 | 0 | 0 | 0 | 0 | 121.8 | | |
| 330 | A | 31 | Very low | 33.4 | Very low | 90 Ų | 90 | 125.9 Ų | 125.9 | 74% | 0.744 | 75% | 0.748 | S | S | * | * | | | | 76.6 | 131.1 | 115.9 | 0 | 0 | 0 | 0 | 0 | 123.9 | | |
| 331 | L | 30.9 | Very low | 33.6 | Very low | 156 Ų | 156 | 124.7 Ų | 124.7 | 82% | 0.817 | 74% | 0.736 | S | S | * | * | | | trans | 89.4 | 138.5 | 140.9 | -108.5 | 77.2 | 0 | 0 | 0 | 123 | | |
| 332 | T | 29.4 | Very low | 33.5 | Very low | 122 Ų | 122 | 123.6 Ų | 123.6 | 75% | 0.748 | 74% | 0.735 | S | S | * | * | | | trans | 67.2 | 98.2 | 149.3 | 44.4 | 0 | 0 | 0 | 0 | 122.7 | | |
| 333 | D | 27.2 | Very low | 32.5 | Very low | 143 Ų | 143 | 126.5 Ų | 126.5 | 77% | 0.765 | 74% | 0.74 | S | S | * | * | | | | -61.5 | 157.2 | 117 | -163.4 | 49.5 | 0 | 0 | 0 | 108.8 | | |
| 334 | P | 47.2 | Very low | 32.6 | Very low | 92 Ų | 92 | 124.1 Ų | 124.1 | 60% | 0.597 | 74% | 0.736 | S | S | * | * | | | cis | -143.3 | -177.6 | 21.8 | 46.9 | -29 | 0 | 0 | 0 | 117.7 | | |
| 335 | T | 29.7 | Very low | 32.8 | Very low | 114 Ų | 114 | 126 Ų | 126 | 70% | 0.699 | 74% | 0.739 | S | S | * | * | | | trans | 11.2 | 111.9 | 135.3 | -54.7 | 0 | 0 | 0 | 0 | 117.7 | | |
| 336 | V | 31.6 | Very low | 32.7 | Very low | 143 Ų | 143 | 124.4 Ų | 124.4 | 87% | 0.867 | 74% | 0.741 | S | S | * | * | | | trans | -129.1 | 113.7 | 140.3 | -177.8 | 0 | 0 | 0 | 0 | 109.5 | | |
| 337 | K | 32.2 | Very low | 32.7 | Very low | 174 Ų | 174 | 121.8 Ų | 121.8 | 76% | 0.757 | 74% | 0.739 | S | S | * | * | | | trans | -104.7 | 159.6 | 170.8 | -175.7 | -179.3 | -174.1 | 176.8 | 0 | 107 | | |
| 338 | T | 27 | Very low | 32.5 | Very low | 113 Ų | 113 | 124.5 Ų | 124.5 | 69% | 0.693 | 75% | 0.746 | S | S | * | * | | | trans | 61.2 | 175.7 | 173.3 | 31.4 | 0 | 0 | 0 | 0 | 113.4 | | |
| 339 | I | 31.6 | Very low | 31.5 | Very low | 137 Ų | 137 | 124.8 Ų | 124.8 | 70% | 0.703 | 75% | 0.751 | S | S | * | * | | | cis | -146.1 | 150.7 | -0.2 | -3.6 | -160.8 | 0 | 0 | 0 | 108.5 | | |
| 340 | S | 29.5 | Very low | 31.4 | Very low | 104 Ų | 104 | 130 Ų | 130 | 73% | 0.727 | 76% | 0.755 | S | S | * | * | | | trans | -172.7 | 133.4 | 140.9 | -101.8 | 0 | 0 | 0 | 0 | 108.5 | | |
| 341 | I | 30.7 | Very low | 32.6 | Very low | 121 Ų | 121 | 131 Ų | 131 | 62% | 0.621 | 75% | 0.754 | S | S | * | * | | | cis | 68.4 | 111.1 | 49.8 | -54.7 | 163.6 | 0 | 0 | 0 | 107.8 | | |
| 342 | D | 30.9 | Very low | 32.5 | Very low | 143 Ų | 143 | 128.4 Ų | 128.4 | 77% | 0.765 | 75% | 0.749 | S | S | * | * | | | | -150.2 | 171.8 | 66.8 | -136.8 | -29.1 | 0 | 0 | 0 | 117.2 | | |
| 343 | H | 33.2 | Very low | 32.8 | Very low | 162 Ų | 162 | 131.8 Ų | 131.8 | 75% | 0.75 | 76% | 0.756 | S | S | * | * | | | trans | -88.9 | 168.8 | 162.6 | -56.2 | -94 | 0 | 0 | 0 | 107.9 | | |
| 344 | S | 29.6 | Very low | 32.7 | Very low | 109 Ų | 109 | 136.8 Ų | 136.8 | 76% | 0.762 | 77% | 0.765 | S | S | * | * | | | cis | -168.2 | 172.8 | -4 | 33 | 0 | 0 | 0 | 0 | 110.1 | | |
| 345 | S | 33.6 | Very low | 31.9 | Very low | 105 Ų | 105 | 136.9 Ų | 136.9 | 73% | 0.734 | 77% | 0.767 | S | S | * | * | | | trans | 90.9 | 137.1 | 143.7 | -158.3 | 0 | 0 | 0 | 0 | 121.3 | | |
| 346 | T | 33.6 | Very low | 32.1 | Very low | 135 Ų | 135 | 137.1 Ų | 137.1 | 83% | 0.828 | 77% | 0.768 | S | S | * | * | | | trans | 86.4 | 128.2 | 152.4 | -17.9 | 0 | 0 | 0 | 0 | 118.2 | | |
| 347 | G | 32 | Very low | 32.8 | Very low | 73 Ų | 73 | 137.3 Ų | 137.3 | 75% | 0.753 | 76% | 0.763 | S | S | * | * | | | trans | 140.6 | 65.7 | 169 | 0 | 0 | 0 | 0 | 0 | 115.9 | | |
| 348 | D | 30.1 | Very low | 34.4 | Very low | 158 Ų | 158 | 134.6 Ų | 134.6 | 85% | 0.845 | 76% | 0.763 | S | S | * | * | | | trans | -42.1 | 140.2 | -177.1 | -49.2 | -83.7 | 0 | 0 | 0 | 118.1 | | |
| 349 | S | 29.8 | Very low | 35.4 | Very low | 119 Ų | 119 | 135 Ų | 135 | 83% | 0.832 | 77% | 0.767 | S | S | * | * | | | | -179.6 | 170.1 | 109.2 | -157.1 | 0 | 0 | 0 | 0 | 114.8 | | |
| 350 | Y | 28.9 | Very low | 35.4 | Very low | 217 Ų | 217 | 136 Ų | 136 | 85% | 0.851 | 77% | 0.773 | S | S | * | * | | | trans | -87.2 | 177.1 | -179.6 | -91.4 | -126.4 | 0 | 0 | 0 | 112.7 | | |
| 351 | P | 55.9 | Low | 36.2 | Very low | 112 Ų | 112 | 136 Ų | 136 | 73% | 0.727 | 77% | 0.771 | S | S | * | * | | | cis | -144.5 | -170.6 | -32.6 | 39.1 | -19.9 | 0 | 0 | 0 | 115.2 | | |
| 352 | S | 29 | Very low | 36.1 | Very low | 101 Ų | 101 | 135.4 Ų | 135.4 | 71% | 0.706 | 78% | 0.777 | S | S | * | * | | | trans | -44.3 | 154.7 | 154.7 | -49.8 | 0 | 0 | 0 | 0 | 117.3 | | |
| 353 | Q | 34.9 | Very low | 36.2 | Very low | 193 Ų | 193 | 138.8 Ų | 138.8 | 90% | 0.902 | 78% | 0.78 | S | S | * | * | | | trans | 29.9 | 127.8 | 140.8 | -60.4 | -160.8 | 44.2 | 0 | 0 | 120.9 | | |
| 354 | R | 25.5 | Very low | 36.1 | Very low | 248 Ų | 248 | 137.1 Ų | 137.1 | 94% | 0.936 | 78% | 0.776 | S | S | * | * | | | trans | -150 | 141.3 | 135 | -137.5 | 178.1 | -176.6 | 154.7 | 2.4 | 114.5 | | |
| 355 | S | 30.9 | Very low | 36.1 | Very low | 94 Ų | 94 | 140.4 Ų | 140.4 | 66% | 0.657 | 78% | 0.78 | S | S | * | * | | | trans | -89.1 | 172.1 | 164.8 | -177.1 | 0 | 0 | 0 | 0 | 110.6 | | |
| 356 | V | 32.8 | Very low | 35.9 | Very low | 118 Ų | 118 | 141.9 Ų | 141.9 | 72% | 0.715 | 78% | 0.784 | S | S | * | * | | | trans | 74.6 | 107.8 | 171.9 | -162.2 | 0 | 0 | 0 | 0 | 112.8 | | |
| 357 | I | 48 | Very low | 35.8 | Very low | 147 Ų | 147 | 141.2 Ų | 141.2 | 75% | 0.754 | 78% | 0.779 | S | S | * | * | | | | 68.8 | 144.6 | 63.2 | -58.5 | 162.3 | 0 | 0 | 0 | 111.1 | | |
| 358 | P | 65.3 | Low | 36.3 | Very low | 117 Ų | 117 | 143.3 Ų | 143.3 | 76% | 0.76 | 78% | 0.779 | S | S | * | * | | | cis | -114.5 | -158.3 | -4.9 | 30.5 | -6.7 | 0 | 0 | 0 | 110.9 | | |
| 359 | P | 47.2 | Very low | 36.5 | Very low | 121 Ų | 121 | 139.3 Ų | 139.3 | 79% | 0.786 | 77% | 0.768 | S | S | * | * | | | cis | -139.2 | 178.3 | 4.8 | 45.1 | -26 | 0 | 0 | 0 | 119 | | |
| 360 | L | 32.7 | Very low | 36.4 | Very low | 158 Ų | 158 | 140 Ų | 140 | 83% | 0.827 | 77% | 0.768 | S | S | * | * | | | trans | -70.3 | 176.4 | 160 | -70.1 | 169.3 | 0 | 0 | 0 | 111 | | |
| 361 | P | 45.4 | Very low | 36.3 | Very low | 106 Ų | 106 | 135.3 Ų | 135.3 | 69% | 0.688 | 76% | 0.762 | S | S | * | * | | | cis | -148.3 | 167.4 | 20.3 | 43.3 | -23.5 | 0 | 0 | 0 | 120.2 | | |
| 362 | S | 29.7 | Very low | 35 | Very low | 107 Ų | 107 | 134.2 Ų | 134.2 | 75% | 0.748 | 76% | 0.762 | S | S | * | * | | | trans | 69.9 | 160.8 | 149.7 | 80.3 | 0 | 0 | 0 | 0 | 117.8 | | |
| 363 | R | 31.1 | Very low | 35.2 | Very low | 214 Ų | 214 | 132.8 Ų | 132.8 | 81% | 0.808 | 76% | 0.756 | S | S | * | * | | | cis | -156.3 | 152.3 | 10.4 | -155.6 | -172.6 | 152.3 | 161.1 | -4.1 | 110.9 | | |
| 364 | N | 32.2 | Very low | 35.5 | Very low | 127 Ų | 127 | 131.5 Ų | 131.5 | 68% | 0.679 | 75% | 0.748 | S | S | * | * | | | trans | 68.9 | 136.5 | 178 | -46.7 | -5.9 | 0 | 0 | 0 | 113.8 | | |
| 365 | E | 29.1 | Very low | 35.9 | Very low | 179 Ų | 179 | 125.9 Ų | 125.9 | 84% | 0.836 | 74% | 0.744 | S | S | * | * | | | cis | -146.4 | -161 | -8.1 | -142.6 | 166.8 | 128.4 | 0 | 0 | 111.5 | | |
| 366 | V | 29.8 | Very low | 35.8 | Very low | 135 Ų | 135 | 126.8 Ų | 126.8 | 82% | 0.818 | 75% | 0.745 | S | S | * | * | | | trans | -88.1 | 152.4 | -155.6 | 172.5 | 0 | 0 | 0 | 0 | 116.3 | | |
| 367 | V | 32.1 | Very low | 36 | Very low | 122 Ų | 122 | 127.3 Ų | 127.3 | 74% | 0.739 | 75% | 0.748 | S | S | * | * | | | trans | -81.5 | 139.5 | -176.6 | 171 | 0 | 0 | 0 | 0 | 113.7 | A369 | V367-A369 HydrophobicContact CG1-CB 4.03Š|
| 368 | P | 42.7 | Very low | 35.8 | Very low | 116 Ų | 116 | 124.3 Ų | 124.3 | 75% | 0.753 | 75% | 0.746 | S | S | * | * | | | | -137.8 | 152.1 | 117.8 | 38.6 | -27 | 0 | 0 | 0 | 112.1 | | |
| 369 | A | 33.4 | Very low | 34.2 | Very low | 74 Ų | 74 | 124.3 Ų | 124.3 | 61% | 0.612 | 75% | 0.745 | S | S | * | * | | | cis | 78.6 | 151.5 | 18.3 | 0 | 0 | 0 | 0 | 0 | 116.8 | V367 | V367-A369 HydrophobicContact CG1-CB 4.03Š|
| 370 | T | 28.5 | Very low | 33.1 | Very low | 134 Ų | 134 | 124.5 Ų | 124.5 | 82% | 0.822 | 75% | 0.75 | S | S | * | * | | | trans | 73.1 | 160.2 | 152.4 | -57.8 | 0 | 0 | 0 | 0 | 117.5 | | |
| 371 | V | 25.7 | Very low | 33 | Very low | 119 Ų | 119 | 123.1 Ų | 123.1 | 72% | 0.721 | 75% | 0.748 | S | S | * | * | | | | -167.7 | 156.3 | -51.4 | 86.2 | 0 | 0 | 0 | 0 | 109.3 | | |
| 372 | A | 29 | Very low | 32.1 | Very low | 89 Ų | 89 | 123.5 Ų | 123.5 | 74% | 0.736 | 74% | 0.744 | S | S | * | * | | | trans | 53 | -160.3 | 157.1 | 0 | 0 | 0 | 0 | 0 | 119.5 | | |
| 373 | A | 33.6 | Very low | 32.4 | Very low | 71 Ų | 71 | 126.1 Ų | 126.1 | 59% | 0.587 | 74% | 0.742 | S | S | * | * | | | trans | -66 | -179.4 | 169.2 | 0 | 0 | 0 | 0 | 0 | 110.5 | | |
| 374 | F | 40.7 | Very low | 32.5 | Very low | 165 Ų | 165 | 118.8 Ų | 118.8 | 72% | 0.724 | 73% | 0.733 | S | S | * | * | | | | -171 | 166 | 53.9 | -68.3 | -91.7 | 0 | 0 | 0 | 109.9 | V376 | F374-V376 HydrophobicContact CB-CB 4.34Š|
| 375 | P | 33.7 | Very low | 33.3 | Very low | 131 Ų | 131 | 118.8 Ų | 118.8 | 85% | 0.851 | 74% | 0.74 | S | S | * | * | | | trans | -104.6 | 54.9 | 161.1 | 37.8 | -30.3 | 0 | 0 | 0 | 112.1 | | |
| 376 | V | 29.6 | Very low | 33.3 | Very low | 113 Ų | 113 | 115.1 Ų | 115.1 | 69% | 0.685 | 73% | 0.734 | S | S | * | * | | | trans | -147.2 | 124 | -174.9 | 173.4 | 0 | 0 | 0 | 0 | 107.3 | F374 | F374-V376 HydrophobicContact CB-CB 4.34Š|
| 377 | V | 35.9 | Very low | 33.3 | Very low | 128 Ų | 128 | 114.3 Ų | 114.3 | 78% | 0.776 | 73% | 0.729 | S | S | * | * | | | cis | -158.3 | 156.6 | 0.7 | 79.3 | 0 | 0 | 0 | 0 | 112 | | |
| 378 | A | 43.6 | Very low | 33.1 | Very low | 85 Ų | 85 | 115.6 Ų | 115.6 | 70% | 0.702 | 73% | 0.731 | S | S | * | * | | | trans | 64.8 | 170.1 | 157.1 | 0 | 0 | 0 | 0 | 0 | 118.1 | | |
| 379 | P | 32.8 | Very low | 32.3 | Very low | 116 Ų | 116 | 114.6 Ų | 114.6 | 75% | 0.753 | 72% | 0.723 | S | S | * | * | | | cis | -119.8 | 143.8 | -6.2 | 37.3 | -23.1 | 0 | 0 | 0 | 115 | | |
| 380 | S | 24.7 | Very low | 32 | Very low | 126 Ų | 126 | 116.4 Ų | 116.4 | 88% | 0.881 | 73% | 0.731 | S | S | * | * | | | trans | -126.4 | 96.4 | 146.2 | -169.9 | 0 | 0 | 0 | 0 | 108.3 | | |
| 381 | V | 30.1 | Very low | 31.9 | Very low | 129 Ų | 129 | 116.4 Ų | 116.4 | 78% | 0.782 | 72% | 0.724 | S | S | * | * | | | trans | -93.3 | 112.8 | 158.9 | 171.7 | 0 | 0 | 0 | 0 | 105.8 | | |
| 382 | D | 26.8 | Very low | 31.9 | Very low | 114 Ų | 114 | 116.8 Ų | 116.8 | 61% | 0.61 | 73% | 0.727 | S | S | * | * | | | | -159.4 | 142.2 | 124.3 | -128 | -156.6 | 0 | 0 | 0 | 114.4 | | |
| 383 | K | 35.6 | Very low | 31.8 | Very low | 161 Ų | 161 | 123.3 Ų | 123.3 | 70% | 0.7 | 73% | 0.734 | S | S | * | * | | | trans | 26.7 | 112.4 | 166.5 | -74.5 | 71.8 | 165.5 | -172.2 | 0 | 118.6 | | |
| 384 | G | 32.9 | Very low | 31.7 | Very low | 61 Ų | 61 | 124.4 Ų | 124.4 | 63% | 0.629 | 74% | 0.737 | S | S | * | * | | | | -72 | 173.1 | 129.8 | 0 | 0 | 0 | 0 | 0 | 111.1 | | |
| 385 | P | 48.5 | Very low | 32.1 | Very low | 127 Ų | 127 | 121.9 Ų | 121.9 | 83% | 0.825 | 74% | 0.737 | S | S | * | * | | | | -117.7 | 132.1 | 114.4 | -5.6 | 25.1 | 0 | 0 | 0 | 110.5 | | |
| 386 | S | 29.6 | Very low | 32 | Very low | 102 Ų | 102 | 121.4 Ų | 121.4 | 71% | 0.713 | 74% | 0.737 | S | S | * | * | | | | 93.3 | 123.1 | 53.9 | -70.2 | 0 | 0 | 0 | 0 | 112.9 | | |
| 387 | T | 29.9 | Very low | 32 | Very low | 117 Ų | 117 | 119.2 Ų | 119.2 | 72% | 0.718 | 74% | 0.738 | S | S | * | * | | | | 78 | 103.6 | 125.8 | -59.3 | 0 | 0 | 0 | 0 | 118.8 | | |
| 388 | I | 27.3 | Very low | 31.8 | Very low | 150 Ų | 150 | 118.8 Ų | 118.8 | 77% | 0.769 | 74% | 0.741 | S | S | * | * | | | | 111 | 142.4 | 118.4 | -124.8 | 175.1 | 0 | 0 | 0 | 121.4 | | |
| 389 | T | 26.9 | Very low | 31.2 | Very low | 95 Ų | 95 | 121.3 Ų | 121.3 | 58% | 0.583 | 74% | 0.741 | S | S | * | * | | | trans | 70.2 | 111 | 147.5 | -61.8 | 0 | 0 | 0 | 0 | 121.8 | I391 | T389-I391 HydrophobicContact CG2-CB 4.36Å; T389-I391 HydrophobicContact CG2-CD1 3.51Å; T389-I391 HydrophobicContact CG2-CG1 3.84Å |
| 390 | S | 26.7 | Very low | 31.3 | Very low | 112 Ų | 112 | 122.2 Ų | 122.2 | 78% | 0.783 | 74% | 0.74 | S | S | * | * | | | | -158.6 | 129.2 | 114.9 | 43.9 | 0 | 0 | 0 | 0 | 107.2 | | |
| 391 | I | 26.6 | Very low | 31.6 | Very low | 134 Ų | 134 | 122 Ų | 122 | 69% | 0.687 | 73% | 0.733 | S | S | * | * | | | cis | 65.8 | 100.5 | 41.3 | -57.1 | -178.4 | 0 | 0 | 0 | 112.4 | T389 Y393 | T389-I391 HydrophobicContact CG2-CB 4.36Å; T389-I391 HydrophobicContact CG2-CD1 3.51Å; T389-I391 HydrophobicContact CG2-CG1 3.84Å; I391-Y393 PolarHBondContact O-N 3.18Å |
| 392 | T | 25.9 | Very low | 31.6 | Very low | 126 Ų | 126 | 120.5 Ų | 120.5 | 77% | 0.773 | 74% | 0.735 | S | S | * | * | | | trans | -61.6 | 123.1 | 164 | -53.9 | 0 | 0 | 0 | 0 | 110.7 | | |
| 393 | Y | 26.5 | Very low | 31.8 | Very low | 227 Ų | 227 | 120.9 Ų | 120.9 | 89% | 0.89 | 74% | 0.741 | S | S | * | * | | | trans | -150.6 | 105.3 | 150.9 | -111.9 | -80.5 | 0 | 0 | 0 | 111.2 | I391 | I391-Y393 PolarHBondContact O-N 3.18Š|
| 394 | S | 31.5 | Very low | 31.6 | Very low | 93 Ų | 93 | 117.9 Ų | 117.9 | 65% | 0.65 | 74% | 0.74 | S | S | * | * | | | trans | -72.4 | 172.6 | 154.3 | -51.6 | 0 | 0 | 0 | 0 | 108.9 | | |
| 395 | P | 49.6 | Very low | 31.9 | Very low | 112 Ų | 112 | 120.5 Ų | 120.5 | 73% | 0.727 | 75% | 0.749 | S | S | * | * | | | cis | -146.7 | -174.1 | 19.1 | 44.6 | -24.9 | 0 | 0 | 0 | 117.2 | | |
| 396 | S | 30.4 | Very low | 31.4 | Very low | 121 Ų | 121 | 118.8 Ų | 118.8 | 85% | 0.846 | 74% | 0.74 | S | S | * | * | | | trans | 67.5 | 130 | 152.8 | -60.1 | 0 | 0 | 0 | 0 | 119.4 | | |
| 397 | G | 29.5 | Very low | 31.5 | Very low | 68 Ų | 68 | 121.4 Ų | 121.4 | 70% | 0.701 | 75% | 0.745 | S | S | * | * | | | cis | 167.2 | -179.6 | -6.5 | 0 | 0 | 0 | 0 | 0 | 114.4 | | |
| 398 | S | 32 | Very low | 31.7 | Very low | 119 Ų | 119 | 120.4 Ų | 120.4 | 83% | 0.832 | 74% | 0.743 | S | S | * | * | | | trans | 79 | 142.7 | 174.8 | -58.1 | 0 | 0 | 0 | 0 | 116.5 | | |
| 399 | L | 32.3 | Very low | 32.7 | Very low | 137 Ų | 137 | 118.5 Ų | 118.5 | 72% | 0.717 | 74% | 0.741 | S | S | * | * | | | cis | -152.5 | 126.8 | 2.4 | -152.1 | 105.3 | 0 | 0 | 0 | 112.3 | | |
| 400 | N | 33.5 | Very low | 32.8 | Very low | 136 Ų | 136 | 119.5 Ų | 119.5 | 73% | 0.727 | 75% | 0.746 | S | S | * | * | | | trans | 56.1 | 153.3 | 146.7 | -63.5 | 2.4 | 0 | 0 | 0 | 122.1 | | |
| 401 | V | 31.5 | Very low | 33 | Very low | 120 Ų | 120 | 120.1 Ų | 120.1 | 73% | 0.727 | 75% | 0.746 | S | S | * | * | | | cis | -157.9 | 142.8 | -16.6 | 126.2 | 0 | 0 | 0 | 0 | 108.8 | | |
| 402 | A | 30.2 | Very low | 33.2 | Very low | 99 Ų | 99 | 118.3 Ų | 118.3 | 82% | 0.818 | 75% | 0.745 | S | S | * | * | | | trans | -157.3 | 120.5 | 160 | 0 | 0 | 0 | 0 | 0 | 111 | | |
| 403 | T | 30.2 | Very low | 33.4 | Very low | 122 Ų | 122 | 119.4 Ų | 119.4 | 75% | 0.748 | 75% | 0.745 | S | S | * | * | | | trans | -140.7 | 159.7 | 176.2 | 54.6 | 0 | 0 | 0 | 0 | 107.8 | | |
| 404 | S | 33.2 | Very low | 33.7 | Very low | 97 Ų | 97 | 115.1 Ų | 115.1 | 68% | 0.678 | 74% | 0.736 | S | S | * | * | | | cis | -156.5 | 150.8 | 22.7 | -18.8 | 0 | 0 | 0 | 0 | 108.3 | | |
| 405 | S | 38.9 | Very low | 33.9 | Very low | 117 Ų | 117 | 118.2 Ų | 118.2 | 82% | 0.818 | 75% | 0.745 | S | S | * | * | | | | 67.4 | 143.7 | 76.7 | -46 | 0 | 0 | 0 | 0 | 114.4 | | |
| 406 | S | 37.8 | Very low | 33 | Very low | 91 Ų | 91 | 122.9 Ų | 122.9 | 64% | 0.636 | 75% | 0.754 | S | S | * | * | | | cis | -172.8 | 163.8 | -5.8 | 170.6 | 0 | 0 | 0 | 0 | 110.1 | | |
| 407 | L | 32.3 | Very low | 32.8 | Very low | 157 Ų | 157 | 122.4 Ų | 122.4 | 82% | 0.822 | 75% | 0.75 | S | S | * | * | | | | 158.9 | 103.2 | 128.3 | -81.1 | 165.1 | 0 | 0 | 0 | 109.7 | | |
| 408 | S | 33.7 | Very low | 33.2 | Very low | 96 Ų | 96 | 124.4 Ų | 124.4 | 67% | 0.671 | 75% | 0.754 | S | S | * | * | | | | 82.2 | 151.5 | 76 | -68.8 | 0 | 0 | 0 | 0 | 114 | | |
| 409 | P | 47.2 | Very low | 34.5 | Very low | 110 Ų | 110 | 124.1 Ų | 124.1 | 71% | 0.714 | 75% | 0.749 | S | S | * | * | | | cis | -141.5 | 179.4 | 11 | 36.6 | -14 | 0 | 0 | 0 | 118.9 | | |
| 410 | T | 29.6 | Very low | 34.4 | Very low | 115 Ų | 115 | 124.6 Ų | 124.6 | 71% | 0.706 | 75% | 0.752 | S | S | * | * | | | trans | 74 | 120.2 | 141.9 | 39.7 | 0 | 0 | 0 | 0 | 126.3 | | |
| 411 | T | 30.8 | Very low | 34.5 | Very low | 125 Ų | 125 | 121.8 Ų | 121.8 | 77% | 0.767 | 75% | 0.748 | S | S | * | * | | | trans | 68 | 171.2 | 132.8 | 54.4 | 0 | 0 | 0 | 0 | 123.2 | | |
| 412 | S | 30.3 | Very low | 34.6 | Very low | 96 Ų | 96 | 121 Ų | 121 | 67% | 0.671 | 74% | 0.743 | S | S | * | * | | | cis | 172.1 | 139.4 | -47.5 | -89.7 | 0 | 0 | 0 | 0 | 113.5 | | |
| 413 | L | 31.2 | Very low | 34.8 | Very low | 149 Ų | 149 | 123.9 Ų | 123.9 | 78% | 0.78 | 74% | 0.74 | S | S | * | * | | | trans | 65.5 | 132 | 139.5 | -61.8 | 171.3 | 0 | 0 | 0 | 125.1 | | |
| 414 | I | 31.7 | Very low | 34.9 | Very low | 137 Ų | 137 | 126 Ų | 126 | 70% | 0.703 | 74% | 0.741 | S | S | * | * | | | | 84 | 110.1 | 128.6 | -68.4 | 172.8 | 0 | 0 | 0 | 124.3 | | |
| 415 | L | 35.6 | Very low | 34.6 | Very low | 159 Ų | 159 | 131.4 Ų | 131.4 | 83% | 0.832 | 75% | 0.748 | S | S | * | * | | | trans | 33.9 | 121.2 | 132.2 | -56.4 | 169.7 | 0 | 0 | 0 | 125.4 | | |
| 416 | K | 30.5 | Very low | 35.6 | Very low | 209 Ų | 209 | 130.5 Ų | 130.5 | 91% | 0.909 | 74% | 0.739 | S | S | * | * | | | | -178.5 | 155.5 | 124.7 | -101.7 | 176.2 | 178.3 | 176.7 | 0 | 108.6 | | |
| 417 | S | 28 | Very low | 35.2 | Very low | 111 Ų | 111 | 133.9 Ų | 133.9 | 78% | 0.776 | 75% | 0.749 | S | S | * | * | | | cis | -157.6 | 167.5 | -5.6 | 47.8 | 0 | 0 | 0 | 0 | 111.3 | | |
| 418 | S | 36.6 | Very low | 35 | Very low | 111 Ų | 111 | 132.2 Ų | 132.2 | 78% | 0.776 | 75% | 0.745 | S | S | * | * | | | trans | -71 | -178.4 | 172.6 | -136.1 | 0 | 0 | 0 | 0 | 112.8 | | |
| 419 | P | 58.9 | Low | 34.9 | Very low | 112 Ų | 112 | 131.7 Ų | 131.7 | 73% | 0.727 | 75% | 0.746 | S | S | * | * | | | cis | -143.6 | 174.7 | 2.7 | 38.7 | -17.4 | 0 | 0 | 0 | 119 | | |
| 420 | N | 30.3 | Very low | 33.9 | Very low | 148 Ų | 148 | 135.1 Ų | 135.1 | 79% | 0.791 | 75% | 0.753 | S | S | * | * | | | | 128.8 | 114.3 | 117.3 | -153.5 | 41.7 | 0 | 0 | 0 | 120.3 | | |
| 421 | A | 35.3 | Very low | 33.7 | Very low | 77 Ų | 77 | 137.6 Ų | 137.6 | 64% | 0.636 | 76% | 0.759 | S | S | * | * | | | trans | 63.3 | 162.6 | 139.1 | 0 | 0 | 0 | 0 | 0 | 124.7 | | |
| 422 | T | 34.2 | Very low | 34.4 | Very low | 102 Ų | 102 | 136.1 Ų | 136.1 | 63% | 0.626 | 75% | 0.751 | S | S | * | * | | | cis | -169.5 | 164.9 | -44.5 | -52.4 | 0 | 0 | 0 | 0 | 107.9 | | |
| 423 | H | 35.3 | Very low | 34.3 | Very low | 160 Ų | 160 | 138.1 Ų | 138.1 | 74% | 0.741 | 76% | 0.759 | S | S | * | * | | | trans | 81.9 | 150.6 | 158.3 | -61.2 | -64.1 | 0 | 0 | 0 | 120 | | |
| 424 | H | 31.1 | Very low | 34.2 | Very low | 166 Ų | 166 | 136.8 Ų | 136.8 | 77% | 0.769 | 76% | 0.762 | S | S | * | * | | | cis | -168.3 | 170.9 | -38.8 | -126.6 | -111.4 | 0 | 0 | 0 | 110 | | |
| 425 | Y | 27.9 | Very low | 34.2 | Very low | 212 Ų | 212 | 134.8 Ų | 134.8 | 83% | 0.831 | 76% | 0.761 | S | S | * | * | | | trans | -60.2 | -179.1 | 171.9 | -97 | -128 | 0 | 0 | 0 | 115 | | |
| 426 | P | 60.4 | Low | 34 | Very low | 98 Ų | 98 | 134.2 Ų | 134.2 | 64% | 0.636 | 76% | 0.763 | S | S | * | * | | | cis | -151.5 | -173.5 | -41.9 | 44.2 | -24.6 | 0 | 0 | 0 | 117.5 | | |
| 427 | L | 28 | Very low | 34 | Very low | 162 Ų | 162 | 127.3 Ų | 127.3 | 85% | 0.848 | 75% | 0.752 | S | S | * | * | | | trans | 82.5 | 155.7 | 136.4 | -142.4 | 74.4 | 0 | 0 | 0 | 124.6 | | |
| 428 | V | 29.4 | Very low | 34.1 | Very low | 121 Ų | 121 | 128.1 Ų | 128.1 | 73% | 0.733 | 75% | 0.752 | S | S | * | * | | | trans | 84.2 | 89.8 | 157 | -160.5 | 0 | 0 | 0 | 0 | 123.1 | | |
| 429 | A | 30.3 | Very low | 34 | Very low | 85 Ų | 85 | 128.9 Ų | 128.9 | 70% | 0.702 | 75% | 0.752 | S | S | * | * | | | | 49.7 | 149 | 113.7 | 0 | 0 | 0 | 0 | 0 | 127.5 | | |
| 430 | Q | 27.6 | Very low | 33.4 | Very low | 182 Ų | 182 | 128.9 Ų | 128.9 | 85% | 0.85 | 75% | 0.752 | S | S | * | * | | | trans | 82.2 | 111.1 | 146.6 | -76.7 | 173.9 | 16.7 | 0 | 0 | 124.1 | | |
| 431 | M | 23.6 | Very low | 33.5 | Very low | 167 Ų | 167 | 130 Ų | 130 | 82% | 0.823 | 76% | 0.757 | S | S | * | * | | | | 56.9 | 161.1 | 120.8 | -64.7 | -92.5 | 85.5 | 0 | 0 | 122.1 | | |
| 432 | P | 47 | Very low | 33.2 | Very low | 95 Ų | 95 | 132.9 Ų | 132.9 | 62% | 0.617 | 77% | 0.767 | S | S | * | * | | | cis | -141.8 | 177.7 | -29.4 | 35.4 | -14.3 | 0 | 0 | 0 | 117 | | |
| 433 | V | 26.9 | Very low | 33.2 | Very low | 137 Ų | 137 | 134.1 Ų | 134.1 | 83% | 0.83 | 77% | 0.774 | S | S | * | * | | | trans | 61.1 | 130.6 | 154.5 | -68 | 0 | 0 | 0 | 0 | 125.9 | | |
| 434 | S | 29.5 | Very low | 32.9 | Very low | 122 Ų | 122 | 132.2 Ų | 132.2 | 85% | 0.853 | 77% | 0.774 | S | S | * | * | | | trans | 70.5 | 142.7 | 145.2 | -131 | 0 | 0 | 0 | 0 | 119.9 | | |
| 435 | S | 31.2 | Very low | 32.7 | Very low | 95 Ų | 95 | 132.4 Ų | 132.4 | 66% | 0.664 | 78% | 0.78 | S | S | * | * | | | cis | -163.7 | 170.5 | 22 | 72.6 | 0 | 0 | 0 | 0 | 114.3 | | |
| 436 | V | 31.4 | Very low | 34.2 | Very low | 146 Ų | 146 | 127.7 Ų | 127.7 | 89% | 0.885 | 78% | 0.775 | S | S | * | * | | | trans | 68.6 | 144.5 | 160 | 177.4 | 0 | 0 | 0 | 0 | 118.3 | | |
| 437 | G | 30.3 | Very low | 32.6 | Very low | 65 Ų | 65 | 129.2 Ų | 129.2 | 67% | 0.67 | 79% | 0.787 | S | S | * | * | | | trans | 179 | -47.3 | 168.2 | 0 | 0 | 0 | 0 | 0 | 122.1 | | |
| 438 | T | 31.1 | Very low | 33.1 | Very low | 128 Ų | 128 | 127.7 Ų | 127.7 | 79% | 0.785 | 79% | 0.785 | S | S | * | * | | | trans | 47.7 | 89.9 | 173.1 | -49.3 | 0 | 0 | 0 | 0 | 119.3 | | |
| 439 | T | 34.5 | Very low | 33 | Very low | 127 Ų | 127 | 129.4 Ų | 129.4 | 78% | 0.779 | 79% | 0.788 | S | S | * | * | | | trans | 37.5 | 155.1 | 133.5 | 61.1 | 0 | 0 | 0 | 0 | 123.5 | | |
| 440 | P | 45.4 | Very low | 32.8 | Very low | 112 Ų | 112 | 132.5 Ų | 132.5 | 73% | 0.727 | 79% | 0.793 | S | S | * | * | | | cis | -134.6 | 168.7 | 10.2 | 36.8 | -17.2 | 0 | 0 | 0 | 117.8 | | |
| 441 | L | 33.5 | Very low | 32.8 | Very low | 171 Ų | 171 | 127.8 Ų | 127.8 | 90% | 0.895 | 79% | 0.785 | S | S | * | * | | | trans | 44.5 | 98.9 | 161.4 | -87.9 | 81.8 | 0 | 0 | 0 | 120 | | |
| 442 | V | 28.2 | Very low | 32.9 | Very low | 138 Ų | 138 | 124.5 Ų | 124.5 | 84% | 0.836 | 78% | 0.784 | S | S | * | * | | | trans | -134.6 | 150.6 | 150.2 | 169.5 | 0 | 0 | 0 | 0 | 108.9 | | |
| 443 | V | 34.6 | Very low | 32 | Very low | 128 Ų | 128 | 124.3 Ų | 124.3 | 78% | 0.776 | 79% | 0.791 | S | S | * | * | | | trans | -23.7 | 136.4 | 168.4 | 177.2 | 0 | 0 | 0 | 0 | 116.2 | | |
| 444 | T | 29 | Very low | 32 | Very low | 120 Ų | 120 | 124.8 Ų | 124.8 | 74% | 0.736 | 79% | 0.794 | S | S | * | * | | | trans | -170.5 | 141.7 | 133.5 | 12.1 | 0 | 0 | 0 | 0 | 114.4 | | |
| 445 | N | 27.8 | Very low | 31.9 | Very low | 170 Ų | 170 | 124.9 Ų | 124.9 | 91% | 0.909 | 79% | 0.79 | S | S | * | * | | | trans | -163.6 | 98.1 | 144.7 | -109.3 | -29.2 | 0 | 0 | 0 | 109 | | |
| 446 | P | 58.4 | Low | 31.7 | Very low | 112 Ų | 112 | 129.6 Ų | 129.6 | 73% | 0.727 | 80% | 0.799 | S | S | * | * | | | trans | -145.5 | 135.6 | 145.7 | 36.3 | -21.1 | 0 | 0 | 0 | 114.5 | | |
| 447 | C | 27.8 | Very low | 31.8 | Very low | 131 Ų | 131 | 131 Ų | 131 | 89% | 0.885 | 80% | 0.796 | S | S | * | * | | | trans | -165.2 | 169.7 | 137.5 | -149.3 | 0 | 0 | 0 | 0 | 111.1 | | |
| 448 | T | 37.3 | Very low | 31.6 | Very low | 129 Ų | 129 | 134.4 Ų | 134.4 | 79% | 0.791 | 80% | 0.803 | S | S | * | * | | | trans | -136.9 | 135.4 | -170.9 | -56.8 | 0 | 0 | 0 | 0 | 111.9 | | |
| 449 | I | 28.3 | Very low | 31.7 | Very low | 158 Ų | 158 | 132 Ų | 132 | 81% | 0.81 | 80% | 0.797 | S | S | * | * | | | trans | -163.7 | 150.2 | 162.8 | 17.7 | 172.5 | 0 | 0 | 0 | 107.4 | | |
| 450 | D | 26.1 | Very low | 31.4 | Very low | 149 Ų | 149 | 132.8 Ų | 132.8 | 80% | 0.797 | 80% | 0.801 | S | S | * | * | | | cis | -157.7 | 177.6 | -5.4 | -152.3 | -19.6 | 0 | 0 | 0 | 109.9 | | |
| 451 | A | 27.2 | Very low | 30.6 | Very low | 84 Ų | 84 | 132.9 Ų | 132.9 | 69% | 0.694 | 80% | 0.804 | S | S | * | * | | | trans | 70.9 | 124.6 | 146.5 | 0 | 0 | 0 | 0 | 0 | 122.5 | | |
| 452 | A | 26.3 | Very low | 30.5 | Very low | 97 Ų | 97 | 131.4 Ų | 131.4 | 80% | 0.802 | 80% | 0.801 | S | S | * | * | | | trans | -42.2 | 162.9 | 151.9 | 0 | 0 | 0 | 0 | 0 | 116.4 | | |
| 453 | A | 26.6 | Very low | 30.6 | Very low | 91 Ų | 91 | 130.1 Ų | 130.1 | 75% | 0.752 | 80% | 0.798 | S | S | * | * | | | cis | -173.5 | 154 | -14.8 | 0 | 0 | 0 | 0 | 0 | 111.2 | | |
| 454 | T | 26.5 | Very low | 31 | Very low | 148 Ų | 148 | 129.8 Ų | 129.8 | 91% | 0.908 | 80% | 0.799 | S | S | * | * | | | trans | -149.4 | 157.2 | 151.7 | -15.5 | 0 | 0 | 0 | 0 | 111 | | |
| 455 | T | 28.3 | Very low | 31.4 | Very low | 124 Ų | 124 | 129.7 Ų | 129.7 | 76% | 0.761 | 80% | 0.8 | S | S | * | * | | | trans | -102.7 | 152.9 | -179.5 | -53.8 | 0 | 0 | 0 | 0 | 110.3 | | |
| 456 | F | 28.1 | Very low | 31.5 | Very low | 193 Ų | 193 | 129.8 Ų | 129.8 | 85% | 0.846 | 80% | 0.799 | S | S | * | * | | | trans | 9.5 | 132 | 164.2 | -80.7 | -115.4 | 0 | 0 | 0 | 118 | | |
| 457 | E | 33 | Very low | 30.2 | Very low | 176 Ų | 176 | 129.2 Ų | 129.2 | 82% | 0.822 | 80% | 0.797 | S | S | * | * | | | cis | -126 | 179.7 | 30.7 | -50.8 | -172.3 | 100.4 | 0 | 0 | 112.1 | | |
| 458 | V | 26.3 | Very low | 30.6 | Very low | 136 Ų | 136 | 128.8 Ų | 128.8 | 82% | 0.824 | 80% | 0.796 | S | S | * | * | | | | -163.3 | 156.4 | 64.3 | 159.7 | 0 | 0 | 0 | 0 | 109.7 | | |
| 459 | A | 32 | Very low | 30.2 | Very low | 79 Ų | 79 | 126.2 Ų | 126.2 | 65% | 0.653 | 80% | 0.795 | S | S | * | * | | | trans | -95.9 | 150.3 | 172.2 | 0 | 0 | 0 | 0 | 0 | 113.5 | | |
| 460 | T | 29.3 | Very low | 30.9 | Very low | 142 Ų | 142 | 124.3 Ų | 124.3 | 87% | 0.871 | 79% | 0.793 | S | S | * | * | | | trans | 84.9 | 158.8 | 169.6 | -24.5 | 0 | 0 | 0 | 0 | 116 | | |
| 461 | C | 28.7 | Very low | 31.2 | Very low | 115 Ų | 115 | 125.1 Ų | 125.1 | 78% | 0.777 | 80% | 0.796 | S | S | * | * | | | trans | -129.2 | -175 | -146.8 | -49.4 | 0 | 0 | 0 | 0 | 114.9 | | |
| 462 | V | 31.5 | Very low | 31.5 | Very low | 140 Ų | 140 | 126 Ų | 126 | 85% | 0.848 | 80% | 0.797 | S | S | * | * | | | trans | 99.7 | 137.8 | 161 | -170.7 | 0 | 0 | 0 | 0 | 117.4 | | |
| 463 | S | 28.9 | Very low | 31.7 | Very low | 110 Ų | 110 | 128.1 Ų | 128.1 | 77% | 0.769 | 80% | 0.795 | S | S | * | * | | | trans | -168.3 | 171.4 | -177.7 | -70.6 | 0 | 0 | 0 | 0 | 107.8 | | |
| 464 | P | 43.3 | Very low | 31.9 | Very low | 121 Ų | 121 | 131.1 Ų | 131.1 | 79% | 0.786 | 80% | 0.796 | S | S | * | * | | | cis | -131.5 | -175.6 | -31.8 | 37.9 | -20.2 | 0 | 0 | 0 | 113.2 | | |
| 465 | P | 36.8 | Very low | 32.2 | Very low | 119 Ų | 119 | 132.6 Ų | 132.6 | 77% | 0.773 | 79% | 0.793 | S | S | * | * | | | trans | -115.9 | 159.9 | 175.9 | 39.7 | -31.1 | 0 | 0 | 0 | 116.4 | | |
| 466 | I | 30.5 | Very low | 33.2 | Very low | 172 Ų | 172 | 131.8 Ų | 131.8 | 88% | 0.882 | 79% | 0.79 | S | S | * | * | | | trans | -160.8 | 168.2 | 173.3 | 48.9 | 170.2 | 0 | 0 | 0 | 111.7 | | |
| 467 | S | 30.9 | Very low | 33.1 | Very low | 99 Ų | 99 | 128.6 Ų | 128.6 | 69% | 0.692 | 79% | 0.786 | S | S | * | * | | | cis | -173.2 | 133.6 | -39.7 | -171.9 | 0 | 0 | 0 | 0 | 112.7 | | |
| 468 | S | 36.8 | Very low | 33.1 | Very low | 122 Ų | 122 | 125.4 Ų | 125.4 | 85% | 0.853 | 78% | 0.783 | S | S | * | * | | | trans | 45.4 | 131.5 | 145.7 | -44.7 | 0 | 0 | 0 | 0 | 124.6 | | |
| 469 | G | 28.4 | Very low | 34.3 | Very low | 75 Ų | 75 | 124.5 Ų | 124.5 | 77% | 0.773 | 78% | 0.781 | S | S | * | * | | | trans | 172.4 | 138.9 | 158.4 | 0 | 0 | 0 | 0 | 0 | 115.9 | | |
| 470 | P | 43.5 | Very low | 34.1 | Very low | 119 Ų | 119 | 125.2 Ų | 125.2 | 77% | 0.773 | 79% | 0.786 | S | S | * | * | | | trans | -137.8 | -179.5 | -160 | 41.2 | -21.8 | 0 | 0 | 0 | 120.2 | | |
| 471 | I | 33.3 | Very low | 34 | Very low | 166 Ų | 166 | 122.6 Ų | 122.6 | 85% | 0.851 | 78% | 0.779 | S | S | * | * | | | trans | 64.8 | 147.3 | 165.6 | 24.5 | 178.9 | 0 | 0 | 0 | 119.2 | | |
| 472 | S | 33.5 | Very low | 34 | Very low | 103 Ų | 103 | 124.6 Ų | 124.6 | 72% | 0.72 | 78% | 0.781 | S | S | * | * | | | cis | -153.6 | -163.6 | 6.2 | 48.2 | 0 | 0 | 0 | 0 | 109.6 | | |
| 473 | N | 29.6 | Very low | 33.8 | Very low | 141 Ų | 141 | 123.4 Ų | 123.4 | 75% | 0.754 | 77% | 0.774 | S | S | * | * | | | cis | -168.7 | 179.4 | 14.3 | -154.1 | -5.9 | 0 | 0 | 0 | 113.1 | | |
| 474 | I | 30.5 | Very low | 33.8 | Very low | 153 Ų | 153 | 126.6 Ų | 126.6 | 79% | 0.785 | 78% | 0.779 | S | S | * | * | | | trans | 82.9 | 120.1 | 159.7 | -61.8 | 165.2 | 0 | 0 | 0 | 119.8 | | |
| 475 | E | 32.3 | Very low | 33.1 | Very low | 180 Ų | 180 | 125 Ų | 125 | 84% | 0.841 | 78% | 0.775 | S | S | * | * | | | trans | -143.9 | 140.4 | 169.1 | 156.4 | 177.7 | -177 | 0 | 0 | 108.1 | | |
| 476 | P | 49.9 | Very low | 33.6 | Very low | 106 Ų | 106 | 124.8 Ų | 124.8 | 69% | 0.688 | 77% | 0.774 | S | S | * | * | | | | -158.2 | 150.9 | 127.2 | 38.8 | -19.9 | 0 | 0 | 0 | 118.7 | | |
| 477 | T | 27 | Very low | 33.5 | Very low | 127 Ų | 127 | 123.1 Ų | 123.1 | 78% | 0.779 | 77% | 0.772 | S | S | * | * | | | trans | 124.7 | 128.2 | 133.9 | -44 | 0 | 0 | 0 | 0 | 118.6 | | |
| 478 | S | 32.4 | Very low | 33.4 | Very low | 108 Ų | 108 | 122.3 Ų | 122.3 | 76% | 0.755 | 77% | 0.771 | S | S | * | * | | | trans | -100.1 | -144.8 | -179.1 | -30 | 0 | 0 | 0 | 0 | 111 | | |
| 479 | P | 51.8 | Low | 33.9 | Very low | 118 Ų | 118 | 121.8 Ų | 121.8 | 77% | 0.766 | 77% | 0.765 | S | S | * | * | | | cis | -139.7 | -176.3 | 1.2 | 44.4 | -25.5 | 0 | 0 | 0 | 117.5 | | |
| 480 | A | 27.3 | Very low | 33.9 | Very low | 94 Ų | 94 | 127.8 Ų | 127.8 | 78% | 0.777 | 77% | 0.77 | S | S | * | * | | | trans | 79.6 | 152 | 144.4 | 0 | 0 | 0 | 0 | 0 | 121.1 | | |
| 481 | A | 27.5 | Very low | 33.1 | Very low | 86 Ų | 86 | 130.7 Ų | 130.7 | 71% | 0.711 | 77% | 0.773 | S | S | * | * | | | cis | -171.8 | 174.7 | -25.4 | 0 | 0 | 0 | 0 | 0 | 111.7 | | |
| 482 | L | 28.9 | Very low | 33.9 | Very low | 157 Ų | 157 | 128 Ų | 128 | 82% | 0.822 | 77% | 0.766 | S | S | * | * | | | trans | 91.9 | 115.5 | 152.8 | -55 | -175.4 | 0 | 0 | 0 | 122 | | |
| 483 | V | 27.6 | Very low | 33.5 | Very low | 115 Ų | 115 | 127.9 Ų | 127.9 | 70% | 0.697 | 77% | 0.765 | S | S | * | * | | | | 76.4 | 98.1 | 121.4 | 179.9 | 0 | 0 | 0 | 0 | 120.9 | | |
| 484 | M | 28.9 | Very low | 33.6 | Very low | 177 Ų | 177 | 126.1 Ų | 126.1 | 87% | 0.872 | 76% | 0.76 | S | S | * | * | | | | 66.2 | 144.3 | 126.6 | -56.7 | -168.7 | 76.2 | 0 | 0 | 123.5 | | |
| 485 | A | 28.4 | Very low | 33.6 | Very low | 87 Ų | 87 | 127.2 Ų | 127.2 | 72% | 0.719 | 76% | 0.762 | S | S | * | * | | | trans | -83.6 | -169.2 | 167 | 0 | 0 | 0 | 0 | 0 | 110.5 | | |
| 486 | P | 45.8 | Very low | 33.4 | Very low | 115 Ų | 115 | 125 Ų | 125 | 75% | 0.747 | 76% | 0.76 | S | S | * | * | | | cis | -143.1 | -155.6 | 11 | 33.6 | -6.9 | 0 | 0 | 0 | 115.6 | | |
| 487 | V | 28.2 | Very low | 32.4 | Very low | 138 Ų | 138 | 124.3 Ų | 124.3 | 84% | 0.836 | 76% | 0.763 | S | S | * | * | | | trans | 97 | 143.9 | 160.9 | -173.8 | 0 | 0 | 0 | 0 | 117.7 | | |
| 488 | A | 29.8 | Very low | 32.4 | Very low | 82 Ų | 82 | 124.9 Ų | 124.9 | 68% | 0.678 | 77% | 0.767 | S | S | * | * | | | trans | -138.4 | -163.7 | 176.1 | 0 | 0 | 0 | 0 | 0 | 107.7 | | |
| 489 | P | 47.9 | Very low | 32.3 | Very low | 110 Ų | 110 | 126 Ų | 126 | 71% | 0.714 | 77% | 0.769 | S | S | * | * | | | cis | -134.9 | -168.5 | -13.2 | 30.9 | -6.9 | 0 | 0 | 0 | 114 | | |
| 490 | K | 28.5 | Very low | 31.4 | Very low | 202 Ų | 202 | 127.8 Ų | 127.8 | 88% | 0.878 | 77% | 0.771 | S | S | * | * | | | trans | 117.2 | 146.4 | 149.7 | -64.6 | -172.9 | 175.4 | -177.5 | 0 | 120.8 | | |
| 491 | E | 26.5 | Very low | 31.4 | Very low | 180 Ų | 180 | 133.7 Ų | 133.7 | 84% | 0.841 | 77% | 0.774 | S | S | * | * | | | trans | -65.7 | -175.5 | 170.2 | -88.7 | -176.7 | 93.2 | 0 | 0 | 116.8 | | |
| 492 | P | 49 | Very low | 31.4 | Very low | 108 Ų | 108 | 135.3 Ų | 135.3 | 70% | 0.701 | 78% | 0.775 | S | S | * | * | | | cis | -137.6 | -167.7 | -30.3 | 35.5 | -16 | 0 | 0 | 0 | 113.3 | | |
| 493 | S | 26.9 | Very low | 32.4 | Very low | 101 Ų | 101 | 133.2 Ų | 133.2 | 71% | 0.706 | 77% | 0.771 | S | S | * | * | | | trans | 148.5 | 110 | 131.4 | -176.1 | 0 | 0 | 0 | 0 | 120 | | |
| 494 | T | 30.5 | Very low | 32.3 | Very low | 105 Ų | 105 | 134.1 Ų | 134.1 | 64% | 0.644 | 78% | 0.776 | S | S | * | * | | | | 62.1 | 124.3 | 116.5 | -36 | 0 | 0 | 0 | 0 | 126.3 | | |
| 495 | Q | 31 | Very low | 32.5 | Very low | 176 Ų | 176 | 130.7 Ų | 130.7 | 82% | 0.822 | 77% | 0.769 | S | S | * | * | | | trans | 64.2 | 170.7 | 152.8 | -69.4 | 174.7 | 64.3 | 0 | 0 | 118.9 | | |
| 496 | V | 26.7 | Very low | 33.9 | Very low | 133 Ų | 133 | 132.4 Ų | 132.4 | 81% | 0.806 | 77% | 0.773 | S | S | * | * | | | cis | -142.3 | 171.8 | 18.3 | -176 | 0 | 0 | 0 | 0 | 111 | | |
| 497 | A | 30 | Very low | 33.6 | Very low | 92 Ų | 92 | 132.6 Ų | 132.6 | 76% | 0.76 | 77% | 0.774 | S | S | * | * | | | trans | -126.9 | 157.5 | 177.3 | 0 | 0 | 0 | 0 | 0 | 114.8 | | |
| 498 | T | 26.1 | Very low | 33.8 | Very low | 139 Ų | 139 | 132.7 Ų | 132.7 | 85% | 0.853 | 77% | 0.77 | S | S | * | * | | | trans | -148.5 | 156.2 | 174.2 | -58.1 | 0 | 0 | 0 | 0 | 112.2 | | |
| 499 | T | 30.8 | Very low | 34.1 | Very low | 130 Ų | 130 | 134.4 Ų | 134.4 | 80% | 0.798 | 77% | 0.774 | S | S | * | * | | | trans | -155.6 | 137.8 | 174.6 | -74.5 | 0 | 0 | 0 | 0 | 110.7 | | |
| 500 | L | 32.6 | Very low | 33.2 | Very low | 156 Ų | 156 | 135.4 Ų | 135.4 | 82% | 0.817 | 77% | 0.773 | S | S | * | * | | | trans | -177.5 | 125 | 153.1 | -102.7 | 162.6 | 0 | 0 | 0 | 114.3 | | |
| 501 | R | 27 | Very low | 34.4 | Very low | 219 Ų | 219 | 131 Ų | 131 | 83% | 0.826 | 77% | 0.765 | S | S | * | * | | | trans | 12 | 149.7 | 136.2 | -83 | -177.4 | 177.9 | 169.1 | -0.5 | 120.7 | | |
| 502 | T | 27.8 | Very low | 34.4 | Very low | 120 Ų | 120 | 130.8 Ų | 130.8 | 74% | 0.736 | 76% | 0.764 | S | S | * | * | | | cis | -179.6 | -172.8 | -5.6 | 13.7 | 0 | 0 | 0 | 0 | 107.5 | | |
| 503 | P | 50.5 | Low | 33.7 | Very low | 113 Ų | 113 | 132 Ų | 132 | 73% | 0.734 | 77% | 0.765 | S | S | * | * | | | cis | -129.3 | -150.6 | -34.4 | 37 | -16.5 | 0 | 0 | 0 | 111.8 | | |
| 504 | V | 26.2 | Very low | 33.7 | Very low | 133 Ų | 133 | 133.1 Ų | 133.1 | 81% | 0.806 | 76% | 0.762 | S | S | * | * | | | trans | 113.9 | 145.5 | 163.2 | -178.7 | 0 | 0 | 0 | 0 | 116.2 | | |
| 505 | S | 31.6 | Very low | 33.6 | Very low | 105 Ų | 105 | 135.7 Ų | 135.7 | 73% | 0.734 | 77% | 0.765 | S | S | * | * | | | trans | -154.8 | 170.9 | 179.4 | -47.3 | 0 | 0 | 0 | 0 | 107.9 | | |
| 506 | P | 58 | Low | 33.5 | Very low | 123 Ų | 123 | 133.8 Ų | 133.8 | 80% | 0.799 | 76% | 0.76 | S | S | * | * | | | cis | -107.7 | -140.4 | -3.1 | 36.3 | -15.8 | 0 | 0 | 0 | 108.8 | | |
| 507 | P | 40.9 | Very low | 33.6 | Very low | 119 Ų | 119 | 134.9 Ų | 134.9 | 77% | 0.773 | 76% | 0.76 | S | S | * | * | | | cis | -135.3 | -159.8 | -4.7 | 45.2 | -25.1 | 0 | 0 | 0 | 115.8 | | |
| 508 | L | 32.6 | Very low | 34 | Very low | 141 Ų | 141 | 136 Ų | 136 | 74% | 0.738 | 76% | 0.76 | S | S | * | * | | | trans | -111.3 | 159.2 | 167.7 | -98.8 | 163.9 | 0 | 0 | 0 | 109.2 | | |
| 509 | P | 35.7 | Very low | 34.3 | Very low | 117 Ų | 117 | 134.2 Ų | 134.2 | 76% | 0.76 | 75% | 0.753 | S | S | * | * | | | | -149.5 | 179.8 | 79.6 | 39.7 | -19.3 | 0 | 0 | 0 | 117.6 | | |
| 510 | D | 29.3 | Very low | 34.5 | Very low | 132 Ų | 132 | 133.7 Ų | 133.7 | 71% | 0.706 | 76% | 0.755 | S | S | * | * | | | trans | -85.3 | -163 | -178 | -34.2 | -102.2 | 0 | 0 | 0 | 113 | | |
| 511 | P | 53 | Low | 34.4 | Very low | 110 Ų | 110 | 132.2 Ų | 132.2 | 71% | 0.714 | 75% | 0.752 | S | S | * | * | | | cis | -136.9 | -145.1 | -9.5 | 37.3 | -13.3 | 0 | 0 | 0 | 114.2 | | |
| 512 | E | 26.7 | Very low | 34.4 | Very low | 174 Ų | 174 | 130.1 Ų | 130.1 | 81% | 0.813 | 76% | 0.756 | S | S | * | * | | | trans | 72.1 | 92.7 | 175.6 | -50.6 | -73.2 | 99.1 | 0 | 0 | 115.8 | | |
| 513 | D | 33 | Very low | 34.4 | Very low | 133 Ų | 133 | 129.5 Ų | 129.5 | 71% | 0.711 | 75% | 0.752 | S | S | * | * | | | | 86.5 | 118.6 | 65.2 | -169.9 | 40.6 | 0 | 0 | 0 | 116.4 | | |
| 514 | L | 28.4 | Very low | 33.2 | Very low | 126 Ų | 126 | 133.5 Ų | 133.5 | 66% | 0.66 | 76% | 0.758 | S | S | * | * | | | | 174 | 134.3 | 124.5 | -92.1 | 177.1 | 0 | 0 | 0 | 113.9 | | |
| 515 | K | 27.8 | Very low | 33.2 | Very low | 159 Ų | 159 | 135.7 Ų | 135.7 | 69% | 0.691 | 76% | 0.757 | S | S | * | * | | | trans | 80.3 | 103.5 | 148.7 | -66.6 | 159.7 | -175.3 | 167.3 | 0 | 121.8 | | |
| 516 | N | 28.7 | Very low | 33.5 | Very low | 136 Ų | 136 | 136.2 Ų | 136.2 | 73% | 0.727 | 76% | 0.758 | S | S | * | * | | | | 85.2 | 107 | 125.8 | -73.3 | -44.8 | 0 | 0 | 0 | 123.2 | | |
| 517 | L | 29.1 | Very low | 32.1 | Very low | 155 Ų | 155 | 137.1 Ų | 137.1 | 81% | 0.812 | 76% | 0.761 | S | S | * | * | | | trans | 70.2 | 123.5 | 138.6 | -53.8 | -179.4 | 0 | 0 | 0 | 119.6 | | |
| 518 | P | 38.5 | Very low | 31.8 | Very low | 115 Ų | 115 | 140.2 Ų | 140.2 | 75% | 0.747 | 77% | 0.765 | S | S | * | * | | | | -142.4 | 160.9 | 112.2 | 40.1 | -29.4 | 0 | 0 | 0 | 116.1 | | |
| 519 | S | 32.1 | Very low | 31.6 | Very low | 103 Ų | 103 | 143 Ų | 143 | 72% | 0.72 | 77% | 0.772 | S | S | * | * | | | trans | 52.2 | 136.6 | 146.7 | 61.7 | 0 | 0 | 0 | 0 | 123.1 | | |
| 520 | S | 34.8 | Very low | 31.2 | Very low | 119 Ų | 119 | 142.6 Ų | 142.6 | 83% | 0.832 | 76% | 0.763 | S | S | * | * | | | trans | -148.3 | 128.7 | 153.5 | -58.2 | 0 | 0 | 0 | 0 | 106.7 | | |
| 521 | V | 31 | Very low | 31.3 | Very low | 124 Ų | 124 | 143.4 Ų | 143.4 | 75% | 0.752 | 77% | 0.767 | S | S | * | * | | | cis | 74.6 | 111.4 | 36.6 | -171.2 | 0 | 0 | 0 | 0 | 112.8 | V523 | V521-V523 HydrophobicContact CG1-CG2 4.41Š|
| 522 | L | 26.2 | Very low | 30.1 | Very low | 176 Ų | 176 | 144.9 Ų | 144.9 | 92% | 0.921 | 76% | 0.764 | S | S | * | * | | | trans | -88.2 | 110.3 | -179.7 | 178.8 | 74.6 | 0 | 0 | 0 | 110.4 | | |
| 523 | V | 27.9 | Very low | 30 | Very low | 106 Ų | 106 | 141.7 Ų | 141.7 | 64% | 0.642 | 76% | 0.757 | S | S | * | * | | | trans | -116.3 | 135.7 | 168 | 177.1 | 0 | 0 | 0 | 0 | 109.4 | V521 F525 | V521-V523 HydrophobicContact CG1-CG2 4.41Å; V523-F525 HydrophobicContact CG1-CD2 4.26Å; V523-F525 HydrophobicContact CG1-CE2 4.15Å |
| 524 | K | 26.4 | Very low | 29.9 | Very low | 198 Ų | 198 | 142 Ų | 142 | 86% | 0.861 | 76% | 0.763 | S | S | * | * | | | trans | -85.1 | 121.6 | 177.6 | -179.2 | 122.4 | 64.7 | 179.9 | 0 | 110.2 | | |
| 525 | F | 26.2 | Very low | 30.2 | Very low | 179 Ų | 179 | 141.1 Ų | 141.1 | 79% | 0.785 | 77% | 0.765 | S | S | * | * | | | trans | -104.4 | 156.3 | 163.5 | -93.6 | -96.3 | 0 | 0 | 0 | 111.3 | V523 | V523-F525 HydrophobicContact CG1-CD2 4.26Å; V523-F525 HydrophobicContact CG1-CE2 4.15Å |
| 526 | P | 37.8 | Very low | 30.1 | Very low | 115 Ų | 115 | 138 Ų | 138 | 75% | 0.747 | 77% | 0.769 | S | S | * | * | | | trans | -96.4 | 171.8 | -168.1 | 38.7 | -35 | 0 | 0 | 0 | 113.7 | | |
| 527 | T | 28.9 | Very low | 30.2 | Very low | 142 Ų | 142 | 137.3 Ų | 137.3 | 87% | 0.871 | 77% | 0.774 | S | S | * | * | | | trans | -86.7 | 131.5 | 172.1 | -52.3 | 0 | 0 | 0 | 0 | 111.2 | | |
| 528 | Q | 33.9 | Very low | 30.8 | Very low | 185 Ų | 185 | 135.7 Ų | 135.7 | 86% | 0.864 | 77% | 0.773 | S | S | * | * | | | trans | -150.2 | 138.1 | 141.4 | -163.8 | 170.3 | 7.4 | 0 | 0 | 110.5 | | |
| 529 | K | 28.9 | Very low | 30.2 | Very low | 199 Ų | 199 | 138.4 Ų | 138.4 | 87% | 0.865 | 78% | 0.781 | S | S | * | * | | | trans | -138.5 | 106.5 | 155.7 | -142.7 | 179.7 | -174.6 | -174.2 | 0 | 109.3 | | |
| 530 | D | 27.2 | Very low | 29.9 | Very low | 109 Ų | 109 | 137 Ų | 137 | 58% | 0.583 | 78% | 0.784 | S | S | * | * | | | trans | 8.8 | 132.4 | 146.6 | -176.8 | 37.1 | 0 | 0 | 0 | 118.9 | Q532 | D530-Q532 PolarHBondContact OD1-N 2.84Å; D530-Q532 VanDerWaalsContact OD1-N 3.12Å |
| 531 | L | 31.1 | Very low | 29.5 | Very low | 149 Ų | 149 | 136.2 Ų | 136.2 | 78% | 0.78 | 78% | 0.784 | S | S | * | * | | | | -159.4 | 97.3 | 121 | -104.1 | 175.1 | 0 | 0 | 0 | 112.3 | | |
| 532 | Q | 26.9 | Very low | 29.2 | Very low | 140 Ų | 140 | 134.2 Ų | 134.2 | 65% | 0.654 | 78% | 0.78 | S | S | * | * | | | trans | 53.6 | 124.5 | 133.2 | -75.5 | -172.9 | 49.9 | 0 | 0 | 124.2 | D530 | D530-Q532 PolarHBondContact OD1-N 2.84Å; D530-Q532 VanDerWaalsContact OD1-N 3.12Å |
| 533 | T | 25.8 | Very low | 29.2 | Very low | 108 Ų | 108 | 135.4 Ų | 135.4 | 66% | 0.663 | 78% | 0.778 | S | S | * | * | | | | 80.5 | 106.7 | 123.1 | -54.2 | 0 | 0 | 0 | 0 | 120.9 | | |
| 534 | V | 30.5 | Very low | 29.4 | Very low | 140 Ų | 140 | 135.6 Ų | 135.6 | 85% | 0.848 | 79% | 0.785 | S | S | * | * | | | trans | -111.8 | 146.7 | 144.1 | 173.4 | 0 | 0 | 0 | 0 | 107.6 | | |
| 535 | P | 34.8 | Very low | 30.1 | Very low | 106 Ų | 106 | 132 Ų | 132 | 69% | 0.688 | 78% | 0.782 | S | S | * | * | | | trans | -136.1 | 149 | 146.4 | 36.6 | -23.8 | 0 | 0 | 0 | 114.9 | | |
| 536 | A | 26.2 | Very low | 30.4 | Very low | 94 Ų | 94 | 128 Ų | 128 | 78% | 0.777 | 78% | 0.781 | S | S | * | * | | | trans | 59.1 | 108.9 | 154.2 | 0 | 0 | 0 | 0 | 0 | 120.6 | | |
| 537 | S | 29.6 | Very low | 30.1 | Very low | 121 Ų | 121 | 131.4 Ų | 131.4 | 85% | 0.846 | 79% | 0.787 | S | S | * | * | | | trans | -77.9 | 155.5 | 138.6 | -51.9 | 0 | 0 | 0 | 0 | 110.2 | | |
| 538 | P | 41.3 | Very low | 30 | Very low | 121 Ų | 121 | 128.9 Ų | 128.9 | 79% | 0.786 | 78% | 0.781 | S | S | * | * | | | | -135.3 | 172.4 | 127.3 | 38.2 | -29 | 0 | 0 | 0 | 113.6 | | |
| 539 | D | 26.6 | Very low | 29.7 | Very low | 172 Ų | 172 | 127.7 Ų | 127.7 | 92% | 0.92 | 78% | 0.775 | S | S | * | * | | | trans | -60.7 | 152.7 | 180 | -68.8 | -81.2 | 0 | 0 | 0 | 115.4 | | |
| 540 | G | 26.1 | Very low | 29.6 | Very low | 75 Ų | 75 | 125.5 Ų | 125.5 | 77% | 0.773 | 77% | 0.772 | S | S | * | * | | | trans | -177.7 | 43.8 | -178 | 0 | 0 | 0 | 0 | 0 | 120.2 | | |
| 541 | A | 26.2 | Very low | 29.6 | Very low | 101 Ų | 101 | 126.1 Ų | 126.1 | 84% | 0.835 | 78% | 0.78 | S | S | * | * | | | trans | 40.1 | 119.7 | 153.4 | 0 | 0 | 0 | 0 | 0 | 123.4 | | |
| 542 | A | 24.8 | Very low | 29.4 | Very low | 82 Ų | 82 | 125.3 Ų | 125.3 | 68% | 0.678 | 78% | 0.781 | S | S | * | * | | | | 95.6 | 155.7 | 126.4 | 0 | 0 | 0 | 0 | 0 | 123.6 | | |
| 543 | F | 26.2 | Very low | 29.7 | Very low | 201 Ų | 201 | 127.1 Ų | 127.1 | 88% | 0.882 | 79% | 0.787 | S | S | * | * | | | trans | 80 | 104.7 | 167.5 | -59.7 | -71.7 | 0 | 0 | 0 | 121.2 | | |
| 544 | S | 33 | Very low | 29.8 | Very low | 111 Ų | 111 | 131.9 Ų | 131.9 | 78% | 0.776 | 80% | 0.799 | S | S | * | * | | | trans | -95.4 | 170.4 | 140 | -45.7 | 0 | 0 | 0 | 0 | 109.2 | | |
| 545 | P | 39.6 | Very low | 29.8 | Very low | 123 Ų | 123 | 130.9 Ų | 130.9 | 80% | 0.799 | 79% | 0.788 | S | S | * | * | | | | -144.9 | 171.4 | 87.9 | 38.3 | -22.2 | 0 | 0 | 0 | 115.1 | | |
| 546 | A | 33.5 | Very low | 30.5 | Very low | 93 Ų | 93 | 130.9 Ų | 130.9 | 77% | 0.769 | 79% | 0.788 | S | S | * | * | | | trans | -103.4 | 175.8 | 172.7 | 0 | 0 | 0 | 0 | 0 | 111.8 | | |
| 547 | Q | 30.6 | Very low | 30.6 | Very low | 187 Ų | 187 | 131.8 Ų | 131.8 | 87% | 0.874 | 79% | 0.785 | S | S | * | * | | | trans | -178.8 | 160.6 | 145.7 | -86.6 | -102.5 | -21.2 | 0 | 0 | 107.4 | | |
| 548 | A | 28.2 | Very low | 30.6 | Very low | 89 Ų | 89 | 132.7 Ų | 132.7 | 74% | 0.736 | 79% | 0.785 | S | S | * | * | | | cis | -137.4 | 166.1 | 12 | 0 | 0 | 0 | 0 | 0 | 113.2 | | |
| 549 | E | 26.4 | Very low | 30.3 | Very low | 161 Ų | 161 | 134.5 Ų | 134.5 | 75% | 0.752 | 79% | 0.787 | S | S | * | * | | | trans | -105.7 | 147.8 | 171.9 | -178.4 | -158.9 | 137.9 | 0 | 0 | 109.3 | | |
| 550 | L | 26.2 | Very low | 31.1 | Very low | 152 Ų | 152 | 131.5 Ų | 131.5 | 80% | 0.796 | 78% | 0.777 | S | S | * | * | | | trans | -158.1 | 136 | 136.8 | -141.8 | 73.5 | 0 | 0 | 0 | 112.6 | | |
| 551 | T | 27.7 | Very low | 31 | Very low | 123 Ų | 123 | 135.9 Ų | 135.9 | 76% | 0.755 | 78% | 0.782 | S | S | * | * | | | trans | -127.8 | 158.9 | 156.3 | 62.4 | 0 | 0 | 0 | 0 | 109.3 | | |
| 552 | T | 26.1 | Very low | 31 | Very low | 131 Ų | 131 | 134.8 Ų | 134.8 | 80% | 0.804 | 77% | 0.773 | S | S | * | * | | | trans | -149.3 | 131.7 | 172.1 | -37.1 | 0 | 0 | 0 | 0 | 109.4 | | |
| 553 | K | 34.3 | Very low | 31.1 | Very low | 179 Ų | 179 | 139.6 Ų | 139.6 | 78% | 0.778 | 78% | 0.781 | S | S | * | * | | | trans | -138.9 | 135.6 | 173.7 | -171.1 | -170.7 | 176.1 | -164.8 | 0 | 109.9 | D555 | K553-D555 IonicContact NZ-OD2 3.39Š|
| 554 | K | 27.6 | Very low | 30.9 | Very low | 208 Ų | 208 | 136 Ų | 136 | 90% | 0.904 | 78% | 0.776 | S | S | * | * | | | trans | -151 | 136.2 | 158.9 | -144.5 | 172.4 | -176 | 177.4 | 0 | 111.3 | | |
| 555 | D | 29.9 | Very low | 30.6 | Very low | 118 Ų | 118 | 137 Ų | 137 | 63% | 0.631 | 78% | 0.777 | S | S | * | * | | | trans | -75.3 | 177.5 | 167.7 | -101.8 | -94.5 | 0 | 0 | 0 | 110.8 | K553 | K553-D555 IonicContact NZ-OD2 3.39Š|
| 556 | P | 51.5 | Low | 29.9 | Very low | 106 Ų | 106 | 142.1 Ų | 142.1 | 69% | 0.688 | 78% | 0.78 | S | S | * | * | | | cis | -136.5 | -169.7 | 7 | 28.1 | -3.6 | 0 | 0 | 0 | 115.3 | | |
| 557 | T | 28.1 | Very low | 29.4 | Very low | 114 Ų | 114 | 146.4 Ų | 146.4 | 70% | 0.699 | 78% | 0.782 | S | S | * | * | | | | 137.1 | 103.6 | 125.9 | -54.8 | 0 | 0 | 0 | 0 | 117.2 | | |
| 558 | V | 29.3 | Very low | 29.2 | Very low | 139 Ų | 139 | 144 Ų | 144 | 84% | 0.842 | 78% | 0.775 | S | S | * | * | | | trans | 74.9 | 145.8 | 141 | 171 | 0 | 0 | 0 | 0 | 121.7 | | |
| 559 | L | 34.4 | Very low | 29.4 | Very low | 159 Ų | 159 | 144.5 Ų | 144.5 | 83% | 0.832 | 77% | 0.773 | S | S | * | * | | | trans | -87.4 | -171.8 | 175.8 | -59.2 | 170.1 | 0 | 0 | 0 | 110.5 | | |
| 560 | P | 43.2 | Very low | 29.8 | Very low | 110 Ų | 110 | 142.5 Ų | 142.5 | 71% | 0.714 | 77% | 0.774 | S | S | * | * | | | cis | -146.1 | -174.4 | 6 | 47.3 | -27.9 | 0 | 0 | 0 | 117.4 | | |
| 561 | L | 24.5 | Very low | 29.8 | Very low | 166 Ų | 166 | 139 Ų | 139 | 87% | 0.869 | 76% | 0.762 | S | S | * | * | | | trans | 55.1 | 147.9 | 142.8 | -124.7 | 69.7 | 0 | 0 | 0 | 124.8 | | |
| 562 | A | 26.7 | Very low | 29.7 | Very low | 79 Ų | 79 | 141.9 Ų | 141.9 | 65% | 0.653 | 76% | 0.764 | S | S | * | * | | | trans | 73.6 | 86.3 | 143.2 | 0 | 0 | 0 | 0 | 0 | 121.7 | | |
| 563 | Q | 25.6 | Very low | 29.7 | Very low | 182 Ų | 182 | 143.3 Ų | 143.3 | 85% | 0.85 | 76% | 0.762 | S | S | * | * | | | | 36.4 | 118 | 116.2 | -74.5 | -179.4 | -26 | 0 | 0 | 121.7 | | |
| 564 | T | 22.5 | Very low | 29.2 | Very low | 126 Ų | 126 | 139.4 Ų | 139.4 | 77% | 0.773 | 76% | 0.757 | S | S | * | * | | | trans | 81.6 | 114 | 135.2 | -45.5 | 0 | 0 | 0 | 0 | 120.2 | | |
| 565 | V | 26.7 | Very low | 29.1 | Very low | 132 Ų | 132 | 135.3 Ų | 135.3 | 80% | 0.8 | 75% | 0.75 | S | S | * | * | | | | -178 | 103.5 | 118.3 | 152.7 | 0 | 0 | 0 | 0 | 112.6 | | |
| 566 | R | 24.3 | Very low | 28.8 | Very low | 230 Ų | 230 | 134.1 Ų | 134.1 | 87% | 0.868 | 75% | 0.751 | S | S | * | * | | | trans | 40.1 | 106.9 | 134.1 | -162.8 | -169.3 | -143.7 | 140 | 4.4 | 122 | | |
| 567 | K | 24.4 | Very low | 27.6 | Very low | 184 Ų | 184 | 132.4 Ų | 132.4 | 80% | 0.8 | 74% | 0.741 | S | S | * | * | | | | -170.9 | 152.2 | 112.7 | -111.4 | -178.3 | 178.6 | 178 | 0 | 114.7 | | |
| 568 | N | 25.6 | Very low | 27.6 | Very low | 137 Ų | 137 | 128.2 Ų | 128.2 | 73% | 0.733 | 72% | 0.717 | S | S | * | * | | | trans | 61.3 | 103.5 | 161.6 | -62.4 | 15.6 | 0 | 0 | 0 | 120.7 | | |
| 569 | S | 32.2 | Very low | 28.1 | Very low | 99 Ų | 99 | 125.8 Ų | 125.8 | 69% | 0.692 | 70% | 0.704 | S | S | * | * | | | trans | 1.3 | 158.5 | 132.1 | 55.3 | 0 | 0 | 0 | 0 | 121.5 | | |
| 570 | P | 35.6 | Very low | 27.6 | Very low | 118 Ų | 118 | 122 Ų | 122 | 77% | 0.766 | 68% | 0.682 | S | S | * | * | | | cis | -117.5 | 127.7 | 10.9 | 17.4 | 5.1 | 0 | 0 | 0 | 113.7 | | |
| 571 | S | 26.3 | Very low | 26.8 | Very low | 79 Ų | 79 | 119.7 Ų | 119.7 | 55% | 0.552 | 66% | 0.663 | S | S | * | * | | | | 84.1 | 103.6 | 59.8 | 72.1 | 0 | 0 | 0 | 0 | 113.7 | | |
| 572 | F | 24.7 | Very low | 26.7 | Very low | 183 Ų | 183 | 116.3 Ų | 116.3 | 80% | 0.803 | 65% | 0.653 | S | S | * | * | | | | 80.5 | 147.5 | 86.8 | -60.6 | -41.5 | 0 | 0 | 0 | 112.8 | | |
| 573 | Q | 25.4 | Very low | 26.7 | Very low | 161 Ų | 161 | 120.1 Ų | 120.1 | 75% | 0.752 | 66% | 0.661 | S | S | * | * | | | cis | -126.6 | 165.8 | -4.1 | -93.5 | 108 | -13 | 0 | 0 | 108.2 | | |
| 574 | S | 25.1 | Very low | 26.8 | Very low | 97 Ų | 97 | 116.3 Ų | 116.3 | 68% | 0.678 | 66% | 0.655 | S | S | * | * | | | cis | 80.5 | 136.7 | 35.3 | -55.9 | 0 | 0 | 0 | 0 | 116.8 | | |
| 575 | T | 24.1 | Very low | 27.9 | Very low | 122 Ų | 122 | 115.7 Ų | 115.7 | 75% | 0.748 | 65% | 0.653 | S | S | * | * | | | trans | 66.8 | 110.2 | 150.4 | 47.4 | 0 | 0 | 0 | 0 | 122.2 | | |
| 576 | S | 25.2 | Very low | 27.8 | Very low | 94 Ų | 94 | 117 Ų | 117 | 66% | 0.657 | 65% | 0.651 | S | S | * | * | | | | 54.6 | 143.3 | 121.4 | 70.9 | 0 | 0 | 0 | 0 | 124.2 | | |
| 577 | S | 26.3 | Very low | 27.8 | Very low | 69 Ų | 69 | 110.8 Ų | 110.8 | 48% | 0.483 | 64% | 0.638 | S | S | . | * | | | trans | 62.5 | 104.4 | 139.3 | -171.1 | 0 | 0 | 0 | 0 | 117.5 | | |
| 578 | S | 28.2 | Very low | 27.8 | Very low | 26 Ų | 26 | 107.8 Ų | 107.8 | 18% | 0.182 | 64% | 0.635 | C | S | . | * | | | | 61.5 | 132.2 | 89.7 | -48.2 | 0 | 0 | 0 | 0 | 115.4 | T757 Q758 Q759 | S578-T757 VanDerWaalsContact C-OG1 3.31Å; S578-T757 VanDerWaalsContact CB-C 3.49Å; S578-T757 VanDerWaalsContact CB-CB 3.4Å; S578-T757 WeakPolarHBondContact CB-OG1 3.47Å; S578-T757 PolarHBondContact O-OG1 3.37Å; S578-Q758 VanDerWaalsContact CA-O 3.32Å; S578-Q758 WeakPolarHBondContact CA-O 3.47Å; S578-Q758 VanDerWaalsContact CB-C 3.43Å; S578-Q758 WeakPolarHBondContact CB-O 3.37Å; S578-Q758 PolarHBondContact OG-O 3.2Å; S578-Q759 WeakPolarHBondContact OG-CA 3.08Å; S578-Q759 WeakPolarHBondContact OG-CB 3.44Å; S578-Q759 PolarHBondContact OG-N 3.21Å |
| 579 | P | 38.2 | Very low | 27.8 | Very low | 88 Ų | 88 | 107.9 Ų | 107.9 | 57% | 0.571 | 64% | 0.641 | S | S | * | * | | | cis | -119.4 | 177.2 | 48.2 | 3.2 | 22.9 | 0 | 0 | 0 | 115.4 | | |
| 580 | E | 25.8 | Very low | 27.6 | Very low | 80 Ų | 80 | 107.8 Ų | 107.8 | 37% | 0.374 | 65% | 0.646 | S | S | . | * | | | cis | 88 | 145.5 | 38.3 | -145.8 | -150.3 | 161.1 | 0 | 0 | 117.2 | T756 T757 Q758 | E580-T756 VanDerWaalsContact OE2-C 3.23Å; E580-T756 WeakPolarHBondContact OE2-CA 3.47Å; E580-T756 PolarHBondContact OE2-N 2.94Å; E580-T757 PolarHBondContact OE2-N 2.68Å; E580-Q758 HydrophobicContact CB-CB 4.27Å; E580-Q758 HydrophobicContact CB-CG 4.02Å; E580-Q758 HydrophobicContact CG-CG 3.87Å |
| 581 | I | 25.2 | Very low | 27.4 | Very low | 62 Ų | 62 | 111.7 Ų | 111.7 | 32% | 0.318 | 65% | 0.651 | S | S | . | * | | | trans | 89.5 | 95.3 | 161.5 | -71.8 | 154.7 | 0 | 0 | 0 | 120.5 | Q754 A755 | I581-Q754 HydrophobicContact CD1-CB 3.96Å; I581-Q754 HydrophobicContact CD1-CG 3.96Å; I581-Q754 HydrophobicContact CG1-CG 4.41Å; I581-Q754 HydrophobicContact CG2-CG 4.19Å; I581-Q754 VanDerWaalsContact CG2-NE2 3.34Å; I581-A755 HydrophobicContact CD1-CB 4.36Å |
| 582 | S | 23.1 | Very low | 27.5 | Very low | 94 Ų | 94 | 117.8 Ų | 117.8 | 66% | 0.657 | 67% | 0.667 | S | S | * | * | | | | 82.3 | 149.9 | 118.7 | -60.4 | 0 | 0 | 0 | 0 | 126.5 | | |
| 583 | L | 25.4 | Very low | 27.8 | Very low | 159 Ų | 159 | 114 Ų | 114 | 83% | 0.832 | 66% | 0.663 | S | S | * | * | | | trans | 82.6 | 112.2 | 146.3 | -78.4 | 159.6 | 0 | 0 | 0 | 122.3 | | |
| 584 | S | 27.6 | Very low | 28.2 | Very low | 102 Ų | 102 | 114.3 Ų | 114.3 | 71% | 0.713 | 67% | 0.67 | S | S | * | * | | | trans | -62.4 | 170.1 | 140.9 | -43.5 | 0 | 0 | 0 | 0 | 110.8 | | |
| 585 | P | 47.2 | Very low | 28.8 | Very low | 113 Ų | 113 | 113.4 Ų | 113.4 | 73% | 0.734 | 68% | 0.675 | S | S | * | * | | | cis | -148.7 | -158.4 | 26.3 | 40.2 | -15.6 | 0 | 0 | 0 | 116.6 | | |
| 586 | E | 24.7 | Very low | 29.1 | Very low | 161 Ų | 161 | 111.1 Ų | 111.1 | 75% | 0.752 | 68% | 0.676 | S | S | * | * | | | trans | 91.1 | 114.5 | 142.5 | -90.9 | -150.7 | 95.2 | 0 | 0 | 124.7 | | |
| 587 | T | 22.8 | Very low | 29.6 | Very low | 99 Ų | 99 | 112.9 Ų | 112.9 | 61% | 0.607 | 69% | 0.685 | S | S | * | * | | | | 53.4 | 116.4 | 119.9 | 59.7 | 0 | 0 | 0 | 0 | 124.9 | | |
| 588 | T | 25 | Very low | 30 | Very low | 120 Ų | 120 | 116.9 Ų | 116.9 | 74% | 0.736 | 70% | 0.701 | S | S | * | * | | | | 66.9 | 97.7 | 112.1 | -46.4 | 0 | 0 | 0 | 0 | 123 | | |
| 589 | V | 26.4 | Very low | 30.6 | Very low | 139 Ų | 139 | 120.7 Ų | 120.7 | 84% | 0.842 | 73% | 0.725 | S | S | * | * | | | trans | 67.4 | 123.3 | 133.1 | 178.7 | 0 | 0 | 0 | 0 | 122.1 | | |
| 590 | A | 28.2 | Very low | 30.5 | Very low | 97 Ų | 97 | 124.2 Ų | 124.2 | 80% | 0.802 | 74% | 0.737 | S | S | * | * | | | trans | -170.5 | 122.3 | 134.2 | 0 | 0 | 0 | 0 | 0 | 118.2 | | |
| 591 | K | 30.6 | Very low | 30.8 | Very low | 201 Ų | 201 | 126.6 Ų | 126.6 | 87% | 0.874 | 76% | 0.757 | S | S | * | * | | | trans | 20.4 | 117.1 | 145.2 | -66.6 | 172.9 | 180 | 170.4 | 0 | 124.8 | | |
| 592 | K | 28.8 | Very low | 30.9 | Very low | 206 Ų | 206 | 130 Ų | 130 | 90% | 0.896 | 78% | 0.78 | S | S | * | * | | | | 49.8 | 132.6 | 113.9 | -92 | -175.8 | 175.1 | -179.1 | 0 | 123.8 | | |
| 593 | S | 31 | Very low | 31 | Very low | 103 Ų | 103 | 129.9 Ų | 129.9 | 72% | 0.72 | 79% | 0.785 | S | S | * | * | | | | 109.1 | 105.2 | 125.5 | -174.5 | 0 | 0 | 0 | 0 | 121.5 | | |
| 594 | L | 34 | Very low | 31.6 | Very low | 169 Ų | 169 | 128.2 Ų | 128.2 | 89% | 0.885 | 79% | 0.785 | S | S | * | * | | | | -174.4 | 151 | 126 | -129.7 | 66.7 | 0 | 0 | 0 | 113.7 | | |
| 595 | G | 38 | Very low | 32.3 | Very low | 77 Ų | 77 | 128.6 Ų | 128.6 | 79% | 0.794 | 79% | 0.785 | S | S | * | * | | | trans | 57.5 | 118.4 | 149.3 | 0 | 0 | 0 | 0 | 0 | 122.2 | | |
| 596 | G | 29.3 | Very low | 31.4 | Very low | 74 Ų | 74 | 130.3 Ų | 130.3 | 76% | 0.763 | 79% | 0.788 | S | S | * | * | | | trans | -82 | 170.8 | 163 | 0 | 0 | 0 | 0 | 0 | 113.4 | | |
| 597 | P | 36.4 | Very low | 31.4 | Very low | 132 Ų | 132 | 130.5 Ų | 130.5 | 86% | 0.857 | 79% | 0.789 | S | S | * | * | | | | -124.8 | -164.3 | 62.9 | 42.2 | -35.2 | 0 | 0 | 0 | 115.8 | | |
| 598 | L | 34.3 | Very low | 31.7 | Very low | 153 Ų | 153 | 130.5 Ų | 130.5 | 80% | 0.801 | 79% | 0.793 | S | S | * | * | S | Bend | trans | -55.3 | 153.1 | -171 | -60.1 | 164.3 | 0 | 0 | 0 | 115.7 | | |
| 599 | P | 40.2 | Very low | 31.8 | Very low | 106 Ų | 106 | 128.9 Ų | 128.9 | 69% | 0.688 | 79% | 0.791 | S | S | * | * | S | Bend | cis | -124.4 | 102.9 | -9.4 | 32.5 | -13.1 | 0 | 0 | 0 | 113.6 | | |
| 600 | I | 36.9 | Very low | 31.7 | Very low | 161 Ų | 161 | 129.7 Ų | 129.7 | 83% | 0.826 | 79% | 0.791 | S | S | * | * | | | trans | 62.9 | 111.5 | 136.1 | -57.2 | 158.4 | 0 | 0 | 0 | 117 | | |
| 601 | V | 31.6 | Very low | 32.6 | Very low | 131 Ų | 131 | 130.1 Ų | 130.1 | 79% | 0.794 | 79% | 0.786 | S | S | * | * | | | trans | -137.4 | 144.1 | -170.1 | 162.5 | 0 | 0 | 0 | 0 | 111.6 | | |
| 602 | T | 28.4 | Very low | 32.3 | Very low | 132 Ų | 132 | 125.6 Ų | 125.6 | 81% | 0.81 | 79% | 0.786 | S | S | * | * | | | trans | 66.2 | 116.2 | 165 | -64.2 | 0 | 0 | 0 | 0 | 118.9 | | |
| 603 | A | 24.3 | Very low | 32.1 | Very low | 93 Ų | 93 | 119.2 Ų | 119.2 | 77% | 0.769 | 78% | 0.779 | S | S | * | * | | | | 174.2 | 153.1 | 114.5 | 0 | 0 | 0 | 0 | 0 | 113.3 | | |
| 604 | C | 38.3 | Very low | 32.1 | Very low | 123 Ų | 123 | 121.2 Ų | 121.2 | 83% | 0.831 | 79% | 0.786 | S | S | * | * | | | trans | -81.8 | 179.7 | 154.3 | -51.1 | 0 | 0 | 0 | 0 | 108.9 | | |
| 605 | P | 41 | Very low | 31.9 | Very low | 110 Ų | 110 | 117.7 Ų | 117.7 | 71% | 0.714 | 78% | 0.781 | S | S | * | * | | | cis | -144.4 | -159.6 | 9.7 | 44.3 | -22.7 | 0 | 0 | 0 | 114.7 | | |
| 606 | L | 28.6 | Very low | 32.1 | Very low | 150 Ų | 150 | 119.5 Ų | 119.5 | 79% | 0.785 | 78% | 0.779 | S | S | * | * | | | trans | 15.3 | 149.7 | 142 | -68.3 | 167.6 | 0 | 0 | 0 | 123 | | |
| 607 | Q | 24.9 | Very low | 32 | Very low | 165 Ų | 165 | 121.9 Ų | 121.9 | 77% | 0.771 | 78% | 0.779 | S | S | * | * | | | trans | 96.1 | 140.7 | 143.2 | -132.3 | 74.5 | 13.9 | 0 | 0 | 119.7 | | |
| 608 | S | 28.8 | Very low | 31.5 | Very low | 99 Ų | 99 | 121.4 Ų | 121.4 | 69% | 0.692 | 77% | 0.774 | S | S | * | * | | | trans | -59 | 151.8 | 177.3 | 53.4 | 0 | 0 | 0 | 0 | 116.2 | | |
| 609 | A | 26.8 | Very low | 31.3 | Very low | 85 Ų | 85 | 118.6 Ų | 118.6 | 70% | 0.702 | 77% | 0.772 | S | S | * | * | | | | 167.7 | 129.8 | 93.7 | 0 | 0 | 0 | 0 | 0 | 112.9 | | |
| 610 | D | 24.4 | Very low | 30.7 | Very low | 157 Ų | 157 | 121.7 Ų | 121.7 | 84% | 0.84 | 78% | 0.775 | S | S | * | * | | | trans | 45.6 | 173.1 | 142.2 | -89.1 | -65.7 | 0 | 0 | 0 | 122.8 | | |
| 611 | P | 47.8 | Very low | 30.6 | Very low | 106 Ų | 106 | 118.5 Ų | 118.5 | 69% | 0.688 | 77% | 0.773 | S | S | * | * | | | cis | -129.1 | 175 | -22.3 | 31.6 | -13.4 | 0 | 0 | 0 | 114.1 | | |
| 612 | A | 23.7 | Very low | 30.8 | Very low | 106 Ų | 106 | 116.1 Ų | 116.1 | 88% | 0.876 | 77% | 0.767 | S | S | * | * | | | trans | 60.4 | 139.4 | 149.3 | 0 | 0 | 0 | 0 | 0 | 121.3 | | |
| 613 | G | 24.6 | Very low | 31 | Very low | 72 Ų | 72 | 112.1 Ų | 112.1 | 74% | 0.742 | 75% | 0.747 | S | S | * | * | | | trans | 159.2 | 90.4 | 162.6 | 0 | 0 | 0 | 0 | 0 | 117.4 | | |
| 614 | V | 31.6 | Very low | 31.5 | Very low | 144 Ų | 144 | 110.2 Ų | 110.2 | 87% | 0.873 | 73% | 0.728 | S | S | * | * | | | trans | 2.3 | 132.5 | 155.9 | -71.5 | 0 | 0 | 0 | 0 | 120.9 | | |
| 615 | A | 29.4 | Very low | 31.3 | Very low | 96 Ų | 96 | 109.1 Ų | 109.1 | 79% | 0.793 | 71% | 0.711 | S | S | * | * | | | trans | -72.3 | 161.1 | 164.6 | 0 | 0 | 0 | 0 | 0 | 112.9 | | |
| 616 | P | 42.2 | Very low | 30.8 | Very low | 114 Ų | 114 | 111.7 Ų | 111.7 | 74% | 0.74 | 71% | 0.711 | S | S | * | * | | | | -148.9 | 138.9 | 116.2 | 32.1 | -13.4 | 0 | 0 | 0 | 117.8 | | |
| 617 | T | 27 | Very low | 30.8 | Very low | 124 Ų | 124 | 111.5 Ų | 111.5 | 76% | 0.761 | 72% | 0.715 | S | S | * | * | | | | 49.7 | 132.4 | 127.7 | -31.9 | 0 | 0 | 0 | 0 | 122.3 | | |
| 618 | T | 27.5 | Very low | 31.2 | Very low | 123 Ų | 123 | 110.6 Ų | 110.6 | 76% | 0.755 | 72% | 0.715 | S | S | * | * | | | | 152.9 | 132.5 | 110.9 | -54.6 | 0 | 0 | 0 | 0 | 116.4 | | |
| 619 | A | 29.6 | Very low | 31.8 | Very low | 93 Ų | 93 | 112 Ų | 112 | 77% | 0.769 | 72% | 0.722 | S | S | * | * | | | trans | 53.1 | 154.6 | 157.9 | 0 | 0 | 0 | 0 | 0 | 122.2 | | |
| 620 | K | 27.6 | Very low | 31.8 | Very low | 172 Ų | 172 | 116.5 Ų | 116.5 | 75% | 0.748 | 73% | 0.725 | S | S | * | * | | | cis | 118.6 | 91.1 | -11.8 | -162.8 | -175.2 | -179 | 81.3 | 0 | 119.7 | | |
| 621 | A | 34.2 | Very low | 32.2 | Very low | 94 Ų | 94 | 114 Ų | 114 | 78% | 0.777 | 72% | 0.718 | S | S | * | * | | | trans | 71.6 | 177.2 | 131.2 | 0 | 0 | 0 | 0 | 0 | 124 | | |
| 622 | A | 36 | Very low | 31.1 | Very low | 81 Ų | 81 | 117.4 Ų | 117.4 | 67% | 0.669 | 72% | 0.724 | S | S | * | * | | | trans | 93 | 156.3 | 170.3 | 0 | 0 | 0 | 0 | 0 | 118 | S265 | S265-A622 WeakPolarHBondContact OG-CA 3.33Š|
| 623 | A | 32.3 | Very low | 31.3 | Very low | 48 Ų | 48 | 117.2 Ų | 117.2 | 40% | 0.397 | 72% | 0.717 | S | S | . | * | | | cis | -130.2 | -173.3 | 9.5 | 0 | 0 | 0 | 0 | 0 | 113.7 | L264 S265 | L264-A623 CarbonylContact C-O 3.57Å; L264-A623 VanDerWaalsContact C-O 3.27Å; L264-A623 VanDerWaalsContact CA-O 3.27Å; L264-A623 WeakPolarHBondContact CA-O 3.44Å; L264-A623 WeakPolarHBondContact CB-O 3.42Å; L264-A623 WeakPolarHBondContact CD2-O 3.14Å; L264-A623 WeakPolarHBondContact CG-O 3.27Å; S265-A623 WeakPolarHBondContact CB-O 3.5Å; S265-A623 PolarHBondContact N-O 2.84Å; S265-A623 WeakPolarHBondContact OG-CA 2.95Å; S265-A623 PolarHBondContact OG-N 2.78Å; S265-A623 PolarHBondContact OG-O 2.61Å |
| 624 | S | 36.2 | Very low | 31.6 | Very low | 52 Ų | 52 | 118 Ų | 118 | 36% | 0.364 | 72% | 0.717 | S | S | . | * | | | | 117.4 | 1.7 | 125.4 | -53 | 0 | 0 | 0 | 0 | 129.4 | L264 | L264-S624 VanDerWaalsContact CB-CA 3.44Š|
| 625 | E | 33.5 | Very low | 31.2 | Very low | 100 Ų | 100 | 116.8 Ų | 116.8 | 47% | 0.467 | 71% | 0.714 | S | S | . | * | | | trans | 76.1 | -161.5 | 168.3 | -50 | 137.7 | 71.7 | 0 | 0 | 119.7 | L264 | L264-E625 WeakPolarHBondContact O-CA 2.98Å; L264-E625 PolarHBondContact O-N 3.22Å |
| 626 | K | 29.6 | Very low | 31.1 | Very low | 164 Ų | 164 | 118 Ų | 118 | 71% | 0.713 | 71% | 0.711 | S | S | * | * | | | cis | -170.7 | 122.2 | 11.5 | -144.4 | -178.7 | -163 | 83.5 | 0 | 118.4 | | |
| 627 | V | 29.4 | Very low | 30.5 | Very low | 146 Ų | 146 | 117.6 Ų | 117.6 | 89% | 0.885 | 71% | 0.712 | S | S | * | * | | | trans | 74 | 154.4 | 141 | 174.7 | 0 | 0 | 0 | 0 | 126.5 | | |
| 628 | L | 33.4 | Very low | 31.5 | Very low | 147 Ų | 147 | 117.2 Ų | 117.2 | 77% | 0.77 | 71% | 0.711 | S | S | * | * | | | trans | -120.7 | 159.5 | -175.3 | -174.6 | 93 | 0 | 0 | 0 | 113.3 | | |
| 629 | P | 40.8 | Very low | 32.7 | Very low | 127 Ų | 127 | 116.9 Ų | 116.9 | 83% | 0.825 | 71% | 0.711 | S | S | * | * | | | | -146.3 | 176.7 | 120.8 | 39 | -23.5 | 0 | 0 | 0 | 116.2 | | |
| 630 | K | 26.5 | Very low | 33.8 | Very low | 180 Ų | 180 | 117.5 Ų | 117.5 | 78% | 0.783 | 71% | 0.707 | S | S | * | * | | | trans | -152.8 | 149.8 | -175.7 | 172.9 | 173.7 | 178 | 178.3 | 0 | 115.5 | | |
| 631 | P | 34 | Very low | 34.1 | Very low | 104 Ų | 104 | 115.5 Ų | 115.5 | 68% | 0.675 | 71% | 0.709 | S | S | * | * | | | trans | -108.6 | 163.7 | 152 | -2.6 | 25.5 | 0 | 0 | 0 | 113.9 | | |
| 632 | E | 24.4 | Very low | 35.8 | Very low | 178 Ų | 178 | 116.6 Ų | 116.6 | 83% | 0.832 | 71% | 0.709 | S | S | * | * | | | cis | 81.1 | 125.8 | 15.9 | -162.4 | 160.3 | -130.2 | 0 | 0 | 115 | | |
| 633 | S | 28.6 | Very low | 36.5 | Very low | 102 Ų | 102 | 118.5 Ų | 118.5 | 71% | 0.713 | 72% | 0.715 | S | S | * | * | | | cis | -155 | 153.6 | -7.2 | -116.3 | 0 | 0 | 0 | 0 | 108.2 | | |
| 634 | A | 29.1 | Very low | 36.3 | Very low | 90 Ų | 90 | 122.3 Ų | 122.3 | 74% | 0.744 | 73% | 0.732 | S | S | * | * | | | | 99.7 | 161.3 | 51.8 | 0 | 0 | 0 | 0 | 0 | 114.7 | | |
| 635 | S | 23.8 | Very low | 36 | Very low | 118 Ų | 118 | 125.3 Ų | 125.3 | 83% | 0.825 | 75% | 0.754 | S | S | * | * | | | trans | 89.8 | 154.5 | 170.2 | -152.4 | 0 | 0 | 0 | 0 | 120 | | |
| 636 | V | 27.1 | Very low | 35.8 | Very low | 120 Ų | 120 | 128.5 Ų | 128.5 | 73% | 0.727 | 77% | 0.773 | S | S | * | * | | | | -178.5 | 147.3 | -65.8 | 145.8 | 0 | 0 | 0 | 0 | 113.7 | | |
| 637 | S | 29.9 | Very low | 36.6 | Very low | 107 Ų | 107 | 126.1 Ų | 126.1 | 75% | 0.748 | 77% | 0.774 | S | S | * | * | | | trans | 74 | 170.3 | 158.7 | 80 | 0 | 0 | 0 | 0 | 119.9 | | |
| 638 | P | 48.3 | Very low | 36.5 | Very low | 116 Ų | 116 | 127.4 Ų | 127.4 | 75% | 0.753 | 78% | 0.775 | S | S | * | * | | | cis | -128.6 | -147.8 | 2.9 | 49.7 | -32.1 | 0 | 0 | 0 | 114.1 | | |
| 639 | P | 52.8 | Low | 36.3 | Very low | 116 Ų | 116 | 124.5 Ų | 124.5 | 75% | 0.753 | 77% | 0.772 | S | S | * | * | | | trans | -122.7 | -145.7 | -132.6 | 35.2 | -7.4 | 0 | 0 | 0 | 111.8 | | |
| 640 | P | 52.8 | Low | 36.4 | Very low | 105 Ų | 105 | 123.9 Ų | 123.9 | 68% | 0.682 | 77% | 0.768 | S | S | * | * | | | cis | -143.2 | -175.5 | -5.2 | 40.8 | -18.3 | 0 | 0 | 0 | 118.6 | | |
| 641 | T | 34.1 | Very low | 36.8 | Very low | 130 Ų | 130 | 121 Ų | 121 | 80% | 0.798 | 77% | 0.771 | S | S | * | * | | | trans | 64.2 | 103.1 | 152.5 | 41.4 | 0 | 0 | 0 | 0 | 122.7 | | |
| 642 | P | 68.9 | Low | 37.3 | Very low | 118 Ų | 118 | 121.5 Ų | 121.5 | 77% | 0.766 | 77% | 0.774 | S | S | * | * | | | trans | -100.5 | 173.2 | 156.7 | 40.8 | -34.8 | 0 | 0 | 0 | 112.8 | | |
| 643 | P | 50.9 | Low | 38.1 | Very low | 121 Ų | 121 | 118.8 Ų | 118.8 | 79% | 0.786 | 77% | 0.769 | S | S | * | * | | | | -157.8 | 179.6 | 126.9 | 36.7 | -15.3 | 0 | 0 | 0 | 118.4 | | |
| 644 | V | 28.4 | Very low | 38.5 | Very low | 127 Ų | 127 | 119.7 Ų | 119.7 | 77% | 0.77 | 77% | 0.773 | S | S | * | * | | | trans | 90.1 | 101.8 | 156 | -169.6 | 0 | 0 | 0 | 0 | 122.5 | | |
| 645 | S | 30.7 | Very low | 38.5 | Very low | 116 Ų | 116 | 121.1 Ų | 121.1 | 81% | 0.811 | 77% | 0.773 | S | S | * | * | | | trans | 73.5 | 156.2 | 135.3 | -62 | 0 | 0 | 0 | 0 | 126.9 | | |
| 646 | L | 28.9 | Very low | 39 | Very low | 167 Ų | 167 | 122.8 Ų | 122.8 | 87% | 0.874 | 77% | 0.771 | S | S | * | * | | | trans | -97.1 | -163.3 | 177.9 | -48.1 | 157.9 | 0 | 0 | 0 | 110.5 | | |
| 647 | P | 45.6 | Very low | 40.4 | Very low | 114 Ų | 114 | 122.3 Ų | 122.3 | 74% | 0.74 | 77% | 0.771 | S | S | * | * | | | cis | -141.6 | -160.5 | -7.8 | 36.7 | -12.7 | 0 | 0 | 0 | 115.6 | | |
| 648 | L | 27.7 | Very low | 41 | Very low | 173 Ų | 173 | 123 Ų | 123 | 91% | 0.906 | 77% | 0.773 | S | S | * | * | | | trans | 103.4 | 165.3 | 140.7 | -141.5 | 60.2 | 0 | 0 | 0 | 120.8 | | |
| 649 | A | 29 | Very low | 40.1 | Very low | 85 Ų | 85 | 126 Ų | 126 | 70% | 0.702 | 77% | 0.774 | S | S | * | * | | | trans | -127.9 | -135 | -171 | 0 | 0 | 0 | 0 | 0 | 111.8 | | |
| 650 | P | 42.4 | Very low | 39.1 | Very low | 115 Ų | 115 | 126.9 Ų | 126.9 | 75% | 0.747 | 77% | 0.768 | S | S | * | * | | | | -122 | 163.5 | -73.6 | 36.4 | -24 | 0 | 0 | 0 | 116 | | |
| 651 | S | 35.2 | Very low | 38 | Very low | 119 Ų | 119 | 130 Ų | 130 | 83% | 0.832 | 77% | 0.773 | S | S | * | * | | | trans | 65.9 | -179.2 | 157.7 | -125.6 | 0 | 0 | 0 | 0 | 116.8 | | |
| 652 | P | 44.6 | Very low | 37.7 | Very low | 114 Ų | 114 | 131.8 Ų | 131.8 | 74% | 0.74 | 77% | 0.77 | S | S | * | * | | | cis | -133.4 | -169.1 | -6.5 | 43.1 | -25.1 | 0 | 0 | 0 | 116.3 | | |
| 653 | V | 40.4 | Very low | 35.7 | Very low | 121 Ų | 121 | 133 Ų | 133 | 73% | 0.733 | 77% | 0.77 | S | S | * | * | | | trans | -80.1 | 152.4 | 176.4 | 173.2 | 0 | 0 | 0 | 0 | 113.7 | | |
| 654 | P | 38.4 | Very low | 34.8 | Very low | 122 Ų | 122 | 134.4 Ų | 134.4 | 79% | 0.792 | 77% | 0.77 | S | S | * | * | | | trans | -115.5 | 165.3 | 153.1 | 36.1 | -25.6 | 0 | 0 | 0 | 114.2 | | |
| 655 | T | 28 | Very low | 34.7 | Very low | 120 Ų | 120 | 133.6 Ų | 133.6 | 74% | 0.736 | 77% | 0.77 | S | S | * | * | | | trans | -138.3 | 162.3 | -148 | -46.4 | 0 | 0 | 0 | 0 | 115.1 | | |
| 656 | L | 34.3 | Very low | 35.1 | Very low | 152 Ų | 152 | 133.7 Ų | 133.7 | 80% | 0.796 | 77% | 0.77 | S | S | * | * | | | trans | -26.7 | 175.4 | 163.8 | -59.9 | 162.6 | 0 | 0 | 0 | 119 | | |
| 657 | P | 56.9 | Low | 35.6 | Very low | 111 Ų | 111 | 131.7 Ų | 131.7 | 72% | 0.721 | 77% | 0.767 | S | S | * | * | | | cis | -129.2 | -146.5 | -36.5 | 32.9 | -9.5 | 0 | 0 | 0 | 110.5 | | |
| 658 | P | 42 | Very low | 34.6 | Very low | 122 Ų | 122 | 129.1 Ų | 129.1 | 79% | 0.792 | 76% | 0.762 | S | S | * | * | | | | -152.3 | -169.1 | 71.3 | 41.8 | -19 | 0 | 0 | 0 | 117.5 | | |
| 659 | K | 30.2 | Very low | 34.7 | Very low | 178 Ų | 178 | 128.8 Ų | 128.8 | 77% | 0.774 | 76% | 0.76 | S | S | * | * | | | trans | -81.6 | -172.1 | -177.3 | -45.4 | 176.9 | -177.3 | 172.6 | 0 | 113.2 | | |
| 660 | Q | 32.6 | Very low | 34.5 | Very low | 134 Ų | 134 | 130.8 Ų | 130.8 | 63% | 0.626 | 76% | 0.763 | S | S | * | * | | | cis | -141.1 | -132.5 | 2.7 | -144.7 | 164.8 | -100.7 | 0 | 0 | 110.3 | | |
| 661 | Q | 29.3 | Very low | 33.8 | Very low | 170 Ų | 170 | 131.7 Ų | 131.7 | 79% | 0.794 | 76% | 0.761 | S | S | * | * | | | cis | -141.5 | -131.8 | 5.6 | -160.1 | 156 | -27 | 0 | 0 | 112.5 | | |
| 662 | F | 27.4 | Very low | 33.3 | Very low | 168 Ų | 168 | 134 Ų | 134 | 74% | 0.737 | 76% | 0.759 | S | S | * | * | | | trans | -158 | 152 | -159.9 | -95.7 | -83.5 | 0 | 0 | 0 | 116.1 | | |
| 663 | L | 27.4 | Very low | 32.8 | Very low | 144 Ų | 144 | 133.8 Ų | 133.8 | 75% | 0.754 | 76% | 0.76 | S | S | * | * | | | trans | 73.6 | 130.7 | 148.5 | -66.5 | 169.6 | 0 | 0 | 0 | 124.5 | | |
| 664 | L | 30.5 | Very low | 32.5 | Very low | 150 Ų | 150 | 133.6 Ų | 133.6 | 79% | 0.785 | 76% | 0.761 | S | S | * | * | | | trans | 63.4 | 146 | 132.5 | -78.5 | 168.1 | 0 | 0 | 0 | 125.7 | | |
| 665 | S | 26.6 | Very low | 31.9 | Very low | 111 Ų | 111 | 133 Ų | 133 | 78% | 0.776 | 76% | 0.76 | S | S | * | * | | | trans | 89.7 | 141 | 148.8 | -64.5 | 0 | 0 | 0 | 0 | 121.5 | | |
| 666 | S | 38.7 | Very low | 32 | Very low | 117 Ų | 117 | 136.2 Ų | 136.2 | 82% | 0.818 | 76% | 0.764 | S | S | * | * | | | trans | -98.9 | 160.4 | 178.7 | -39.3 | 0 | 0 | 0 | 0 | 112.8 | | |
| 667 | P | 40 | Very low | 31.8 | Very low | 125 Ų | 125 | 135 Ų | 135 | 81% | 0.812 | 77% | 0.765 | S | S | * | * | | | | -133.1 | -179.9 | 118.7 | 40.8 | -31.3 | 0 | 0 | 0 | 110.6 | | |
| 668 | G | 25.6 | Very low | 30.4 | Very low | 61 Ų | 61 | 137.8 Ų | 137.8 | 63% | 0.629 | 77% | 0.773 | S | S | * | * | | | cis | 92.2 | 132.8 | 17.6 | 0 | 0 | 0 | 0 | 0 | 111.4 | | |
| 669 | L | 28.9 | Very low | 29.7 | Very low | 165 Ų | 165 | 135.5 Ų | 135.5 | 86% | 0.864 | 77% | 0.765 | S | S | * | * | | | cis | -158.5 | -171.1 | -1.2 | -81.3 | 177 | 0 | 0 | 0 | 108 | | |
| 670 | V | 24.4 | Very low | 30.1 | Very low | 127 Ų | 127 | 133 Ų | 133 | 77% | 0.77 | 77% | 0.766 | S | S | * | * | | | trans | 79.1 | 142 | 158 | -156.3 | 0 | 0 | 0 | 0 | 113.8 | | |
| 671 | L | 27.5 | Very low | 30.1 | Very low | 134 Ų | 134 | 130.4 Ų | 130.4 | 70% | 0.702 | 77% | 0.768 | S | S | * | * | | | cis | -142.7 | 137.2 | 19.2 | -162.5 | 41 | 0 | 0 | 0 | 113.4 | | |
| 672 | E | 25.6 | Very low | 30.3 | Very low | 169 Ų | 169 | 129.5 Ų | 129.5 | 79% | 0.79 | 77% | 0.769 | S | S | * | * | | | trans | 58.3 | 127.7 | 137.5 | -150.8 | 142.2 | 97.9 | 0 | 0 | 124.1 | | |
| 673 | S | 34.7 | Very low | 30.7 | Very low | 109 Ų | 109 | 128.6 Ų | 128.6 | 76% | 0.762 | 77% | 0.767 | S | S | * | * | | | trans | -83.8 | 161.3 | 159.9 | -50.8 | 0 | 0 | 0 | 0 | 111.3 | | |
| 674 | P | 33.2 | Very low | 31.2 | Very low | 116 Ų | 116 | 128.4 Ų | 128.4 | 75% | 0.753 | 77% | 0.766 | S | S | * | * | | | | -139.1 | 141.7 | 126.1 | 36.3 | -25.1 | 0 | 0 | 0 | 116.2 | | |
| 675 | S | 25.4 | Very low | 31.4 | Very low | 110 Ų | 110 | 129.7 Ų | 129.7 | 77% | 0.769 | 77% | 0.768 | S | S | * | * | | | trans | 38.5 | 104.3 | 132.8 | -53.1 | 0 | 0 | 0 | 0 | 121.2 | | |
| 676 | K | 31.3 | Very low | 32 | Very low | 188 Ų | 188 | 132 Ų | 132 | 82% | 0.817 | 77% | 0.771 | S | S | * | * | | | | 40 | 110.9 | 116.9 | -174.6 | 179.4 | -178.9 | -179.9 | 0 | 118.3 | | |
| 677 | P | 29.7 | Very low | 32.7 | Very low | 126 Ų | 126 | 132.7 Ų | 132.7 | 82% | 0.818 | 77% | 0.773 | S | S | * | * | | | trans | -66.9 | 153.9 | 161.9 | -19.1 | 33.1 | 0 | 0 | 0 | 113.7 | | |
| 678 | L | 27.6 | Very low | 33.1 | Very low | 169 Ų | 169 | 131.7 Ų | 131.7 | 89% | 0.885 | 77% | 0.766 | S | S | * | * | | | trans | -108.5 | 157.8 | 172 | -171.4 | 66.9 | 0 | 0 | 0 | 109.4 | | |
| 679 | A | 27.2 | Very low | 33.2 | Very low | 75 Ų | 75 | 136.3 Ų | 136.3 | 62% | 0.62 | 78% | 0.776 | S | S | * | * | | | trans | -72.1 | 167.2 | 167.1 | 0 | 0 | 0 | 0 | 0 | 110.9 | | |
| 680 | P | 39.3 | Very low | 33.6 | Very low | 124 Ų | 124 | 136.2 Ų | 136.2 | 81% | 0.805 | 77% | 0.774 | S | S | * | * | | | | -111.5 | 161 | 60.6 | -1.3 | 24.6 | 0 | 0 | 0 | 112.2 | | |
| 681 | A | 32.1 | Very low | 34.6 | Very low | 80 Ų | 80 | 135.6 Ų | 135.6 | 66% | 0.661 | 77% | 0.773 | S | S | * | * | | | cis | 77.3 | 106.6 | 38.7 | 0 | 0 | 0 | 0 | 0 | 114.5 | | |
| 682 | D | 33.3 | Very low | 35.6 | Very low | 152 Ų | 152 | 134.5 Ų | 134.5 | 81% | 0.813 | 77% | 0.774 | S | S | * | * | | | | -161.3 | 113.3 | 125.9 | -133 | -128.4 | 0 | 0 | 0 | 108.8 | | |
| 683 | E | 35 | Very low | 36.2 | Very low | 149 Ų | 149 | 135.4 Ų | 135.4 | 70% | 0.696 | 78% | 0.778 | S | S | * | * | | | trans | 35.9 | 153 | 136.3 | -39.4 | -51.3 | 75.4 | 0 | 0 | 121.6 | | |
| 684 | D | 39 | Very low | 36.7 | Very low | 140 Ų | 140 | 135.2 Ų | 135.2 | 75% | 0.749 | 77% | 0.774 | S | S | * | * | | | cis | -153.8 | 176.1 | 16.5 | -146.1 | -30.6 | 0 | 0 | 0 | 113.7 | | |
| 685 | E | 34.5 | Very low | 36.4 | Very low | 176 Ų | 176 | 137 Ų | 137 | 82% | 0.822 | 78% | 0.776 | S | S | * | * | | | trans | 62.8 | 69.9 | 165.6 | -67.3 | -160.4 | 101.7 | 0 | 0 | 120.5 | | |
| 686 | L | 40 | Very low | 36.8 | Very low | 161 Ų | 161 | 137.4 Ų | 137.4 | 84% | 0.843 | 78% | 0.779 | S | S | * | * | | | | 21.7 | 127 | 127.8 | -58.2 | 175 | 0 | 0 | 0 | 120.9 | | |
| 687 | P | 53.5 | Low | 36.8 | Very low | 130 Ų | 130 | 132.2 Ų | 132.2 | 84% | 0.844 | 78% | 0.779 | S | S | * | * | | | trans | -78.7 | -90.7 | -178.5 | 27.7 | -29 | 0 | 0 | 0 | 117.7 | | |
| 688 | P | 46.6 | Very low | 36.8 | Very low | 105 Ų | 105 | 130.1 Ų | 130.1 | 68% | 0.682 | 78% | 0.78 | S | S | * | * | | | cis | -129.2 | -160.7 | -14.3 | 36.1 | -12.3 | 0 | 0 | 0 | 114.8 | | |
| 689 | L | 29.4 | Very low | 37.1 | Very low | 158 Ų | 158 | 128.8 Ų | 128.8 | 83% | 0.827 | 78% | 0.779 | S | S | * | * | | | trans | 91.4 | 103.4 | 163.6 | -55.9 | -172.7 | 0 | 0 | 0 | 122 | | |
| 690 | I | 37.2 | Very low | 38.4 | Very low | 162 Ų | 162 | 129.9 Ų | 129.9 | 83% | 0.831 | 78% | 0.779 | S | S | * | * | | | trans | -109.7 | 136.8 | 145.2 | -65.2 | 161.4 | 0 | 0 | 0 | 106.4 | | |
| 691 | P | 43.8 | Very low | 38.2 | Very low | 115 Ų | 115 | 132.4 Ų | 132.4 | 75% | 0.747 | 78% | 0.778 | S | S | * | * | | | | -145.8 | 165.4 | 121.8 | 30.9 | -11.9 | 0 | 0 | 0 | 114.9 | | |
| 692 | P | 49.1 | Very low | 38.4 | Very low | 111 Ų | 111 | 136.6 Ų | 136.6 | 72% | 0.721 | 78% | 0.784 | S | S | * | * | | | trans | -108.3 | 165.8 | -170.3 | 40.7 | -35.2 | 0 | 0 | 0 | 116.6 | | |
| 693 | E | 38.3 | Very low | 38.4 | Very low | 187 Ų | 187 | 134.4 Ų | 134.4 | 87% | 0.874 | 78% | 0.78 | S | S | * | * | | | trans | 64.1 | 171.9 | 164.6 | -74 | -164.8 | -168 | 0 | 0 | 116.7 | | |
| 694 | P | 45.4 | Very low | 38.3 | Very low | 105 Ų | 105 | 133.6 Ų | 133.6 | 68% | 0.682 | 79% | 0.785 | S | S | * | * | | | cis | -136.4 | -149.3 | 9.5 | 34.8 | -9.7 | 0 | 0 | 0 | 115.5 | | |
| 695 | I | 26.7 | Very low | 38.1 | Very low | 154 Ų | 154 | 134.3 Ų | 134.3 | 79% | 0.79 | 79% | 0.788 | S | S | * | * | | | trans | 81.7 | 97.9 | 158.2 | 59.9 | 162.6 | 0 | 0 | 0 | 123.7 | | |
| 696 | S | 34.2 | Very low | 38 | Very low | 118 Ų | 118 | 130.6 Ų | 130.6 | 83% | 0.825 | 78% | 0.777 | S | S | * | * | | | | 67.1 | 103.6 | 107.8 | -174.8 | 0 | 0 | 0 | 0 | 122.6 | | |
| 697 | G | 31 | Very low | 37.8 | Very low | 80 Ų | 80 | 126.7 Ų | 126.7 | 83% | 0.825 | 76% | 0.758 | S | S | * | * | | | | 86.4 | 147.3 | 114.9 | 0 | 0 | 0 | 0 | 0 | 120.3 | | |
| 698 | G | 29.6 | Very low | 36.8 | Very low | 81 Ų | 81 | 124 Ų | 124 | 84% | 0.835 | 73% | 0.734 | S | S | * | * | | | trans | 119.9 | 121.7 | 164.1 | 0 | 0 | 0 | 0 | 0 | 116.5 | | |
| 699 | V | 34.4 | Very low | 36.5 | Very low | 142 Ų | 142 | 122.8 Ų | 122.8 | 86% | 0.861 | 73% | 0.727 | S | S | * | * | | | trans | -90.9 | 175.1 | 157.6 | -61.7 | 0 | 0 | 0 | 0 | 108.5 | | |
| 700 | P | 55.1 | Low | 36.9 | Very low | 98 Ų | 98 | 119.8 Ų | 119.8 | 64% | 0.636 | 72% | 0.715 | S | S | * | * | | | cis | -148.7 | 178.6 | 11.4 | 43.6 | -22.6 | 0 | 0 | 0 | 119.5 | | |
| 701 | F | 35.1 | Very low | 37 | Very low | 176 Ų | 176 | 117.7 Ų | 117.7 | 77% | 0.772 | 71% | 0.712 | S | S | * | * | | | trans | 56.6 | 116.4 | 143.7 | -63.6 | -40.9 | 0 | 0 | 0 | 126.2 | | |
| 702 | Q | 34.7 | Very low | 36.6 | Very low | 169 Ų | 169 | 121.9 Ų | 121.9 | 79% | 0.79 | 72% | 0.718 | S | S | * | * | | | | 85.6 | 148.4 | 122 | -70.1 | -171.2 | 64 | 0 | 0 | 125.1 | | |
| 703 | S | 34.2 | Very low | 35.9 | Very low | 105 Ų | 105 | 120.9 Ų | 120.9 | 73% | 0.734 | 72% | 0.719 | S | S | * | * | | | trans | 103.2 | 87.9 | 144.7 | 70.2 | 0 | 0 | 0 | 0 | 123.8 | | |
| 704 | V | 32 | Very low | 35.8 | Very low | 132 Ų | 132 | 117.2 Ų | 117.2 | 80% | 0.8 | 72% | 0.721 | S | S | * | * | | | | 65.2 | 133.7 | 104.1 | 173 | 0 | 0 | 0 | 0 | 123.3 | | |
| 705 | L | 35.9 | Very low | 35.2 | Very low | 155 Ų | 155 | 116 Ų | 116 | 81% | 0.812 | 73% | 0.728 | S | S | * | * | | | trans | 100.6 | 138.2 | 147.4 | -93.3 | 171.4 | 0 | 0 | 0 | 125.2 | | |
| 706 | V | 31.4 | Very low | 35.7 | Very low | 98 Ų | 98 | 115.9 Ų | 115.9 | 59% | 0.594 | 73% | 0.727 | S | S | * | * | | | trans | 78.1 | 154.1 | 149.8 | 173.4 | 0 | 0 | 0 | 0 | 121.6 | E194 | E194-V706 WeakPolarHBondContact OE1-CG1 3.32Š|
| 707 | N | 36 | Very low | 36.3 | Very low | 80 Ų | 80 | 115.7 Ų | 115.7 | 43% | 0.428 | 72% | 0.723 | S | S | . | * | | | | -175.5 | 154 | -54.4 | -170.8 | 21.2 | 0 | 0 | 0 | 112.8 | E194 | E194-N707 WeakPolarHBondContact CG-O 3.02Š|
| 708 | M | 32.8 | Very low | 36.5 | Very low | 72 Ų | 72 | 117.9 Ų | 117.9 | 36% | 0.355 | 72% | 0.72 | S | S | . | * | | | trans | 65.4 | 150.3 | 157.9 | -83.1 | -47.7 | 101.4 | 0 | 0 | 120.2 | V195 V196 P197 T710 | V195-M708 VanDerWaalsContact CA-O 3.27Å; V195-M708 WeakPolarHBondContact CA-O 3.43Å; V195-M708 VanDerWaalsContact CG2-O 3.29Å; V195-M708 WeakPolarHBondContact CG2-O 3.33Å; V196-M708 VanDerWaalsContact O-CA 3.28Å; V196-M708 WeakPolarHBondContact O-CA 2.91Å; V196-M708 VanDerWaalsContact O-CE 3.3Å; V196-M708 WeakPolarHBondContact O-CE 3.04Å; V196-M708 PolarHBondContact O-N 2.7Å; P197-M708 HydrophobicContact CB-CE 4.09Å; M708-T710 HydrophobicContact SD-CG2 4.03Å |
| 709 | P | 39.5 | Very low | 37.2 | Very low | 81 Ų | 81 | 118.8 Ų | 118.8 | 53% | 0.526 | 71% | 0.711 | S | S | . | * | | | cis | -131.5 | 166.4 | 38 | 42.8 | -27.9 | 0 | 0 | 0 | 118.2 | P197 | P197-P709 WeakPolarHBondContact CD-O 3.48Å; P197-P709 WeakPolarHBondContact CG-O 3.33Å |
| 710 | T | 38.3 | Very low | 37 | Very low | 95 Ų | 95 | 117.9 Ų | 117.9 | 58% | 0.583 | 71% | 0.706 | S | S | * | * | | | trans | -86 | 177.8 | 166 | 50.1 | 0 | 0 | 0 | 0 | 111.8 | P197 M708 | P197-T710 HydrophobicContact CG-CG2 4.16Å; M708-T710 HydrophobicContact SD-CG2 4.03Å |
| 711 | P | 40.7 | Very low | 37 | Very low | 117 Ų | 117 | 119.1 Ų | 119.1 | 76% | 0.76 | 71% | 0.714 | S | S | * | * | | | | -145.3 | 135.1 | 119.8 | 33.6 | -17.6 | 0 | 0 | 0 | 116.8 | | |
| 712 | K | 34.8 | Very low | 36.9 | Very low | 204 Ų | 204 | 117 Ų | 117 | 89% | 0.887 | 72% | 0.721 | S | S | * | * | | | | 67.7 | 135.8 | 127.1 | -148.4 | 172 | -172.7 | 175 | 0 | 119.2 | | |
| 713 | A | 34.6 | Very low | 37.2 | Very low | 89 Ų | 89 | 113 Ų | 113 | 74% | 0.736 | 72% | 0.717 | S | S | * | * | | | cis | -171.3 | -177.8 | -13.4 | 0 | 0 | 0 | 0 | 0 | 112.6 | | |
| 714 | A | 36.2 | Very low | 37.6 | Very low | 110 Ų | 110 | 118.1 Ų | 118.1 | 91% | 0.909 | 73% | 0.726 | S | S | * | * | | | trans | 92.3 | 125.2 | 156.5 | 0 | 0 | 0 | 0 | 0 | 119.1 | | |
| 715 | G | 32 | Very low | 37.7 | Very low | 80 Ų | 80 | 120.2 Ų | 120.2 | 83% | 0.825 | 73% | 0.727 | S | S | * | * | | | trans | 148.3 | 98.3 | 174.9 | 0 | 0 | 0 | 0 | 0 | 114.2 | | |
| 716 | I | 37.3 | Very low | 38.4 | Very low | 152 Ų | 152 | 117.7 Ų | 117.7 | 78% | 0.779 | 72% | 0.72 | S | S | * | * | | | trans | -132.2 | 142.1 | 178.2 | -69.5 | 174.8 | 0 | 0 | 0 | 105.2 | | |
| 717 | P | 47.4 | Very low | 38.2 | Very low | 113 Ų | 113 | 119 Ų | 119 | 73% | 0.734 | 73% | 0.728 | S | S | * | * | | | cis | -128.1 | 167.9 | 42.2 | 16.4 | 10.5 | 0 | 0 | 0 | 116.4 | | |
| 718 | V | 34.3 | Very low | 38.3 | Very low | 127 Ų | 127 | 123.4 Ų | 123.4 | 77% | 0.77 | 75% | 0.748 | S | S | * | * | | | cis | 85.7 | 140.7 | 37.1 | 128.8 | 0 | 0 | 0 | 0 | 114 | | |
| 719 | P | 43.8 | Very low | 38.5 | Very low | 99 Ų | 99 | 129 Ų | 129 | 64% | 0.643 | 77% | 0.77 | S | S | * | * | | | cis | -144.4 | 174.1 | -11.5 | 40.2 | -20.6 | 0 | 0 | 0 | 119.4 | | |
| 720 | T | 30.7 | Very low | 38.4 | Very low | 124 Ų | 124 | 130.9 Ų | 130.9 | 76% | 0.761 | 78% | 0.776 | S | S | * | * | | | trans | 66 | 131.7 | 145 | 38.9 | 0 | 0 | 0 | 0 | 124.8 | | |
| 721 | P | 56.2 | Low | 38.4 | Very low | 124 Ų | 124 | 132.4 Ų | 132.4 | 81% | 0.805 | 78% | 0.781 | S | S | * | * | | | trans | -94.8 | 178.9 | 150.8 | 40.2 | -33.6 | 0 | 0 | 0 | 112.1 | | |
| 722 | S | 32.9 | Very low | 38.5 | Very low | 131 Ų | 131 | 137 Ų | 137 | 92% | 0.916 | 79% | 0.789 | S | S | * | * | | | trans | -154.8 | 164.1 | 160.9 | -159.4 | 0 | 0 | 0 | 0 | 112.7 | | |
| 723 | A | 41 | Very low | 38.7 | Very low | 84 Ų | 84 | 131.1 Ų | 131.1 | 69% | 0.694 | 79% | 0.786 | S | S | * | * | | | trans | -126.4 | 171.5 | -166.1 | 0 | 0 | 0 | 0 | 0 | 113.6 | | |
| 724 | K | 41.7 | Very low | 39 | Very low | 213 Ų | 213 | 133.2 Ų | 133.2 | 93% | 0.926 | 80% | 0.795 | S | S | * | * | | | trans | -165 | 142.1 | 147.9 | -104.7 | 147 | -171.2 | 178.9 | 0 | 113.4 | | |
| 725 | Q | 34.7 | Very low | 39.3 | Very low | 176 Ų | 176 | 130.8 Ų | 130.8 | 82% | 0.822 | 78% | 0.781 | S | S | * | * | | | trans | -119.1 | 174.7 | 161 | -132 | -168.2 | 31.5 | 0 | 0 | 106.3 | | |
| 726 | P | 49.5 | Very low | 39.9 | Very low | 103 Ų | 103 | 133.4 Ų | 133.4 | 67% | 0.669 | 78% | 0.781 | S | S | * | * | | | | -155.5 | -174.7 | 58.2 | 37 | -12.1 | 0 | 0 | 0 | 117.6 | | |
| 727 | V | 28.7 | Very low | 40.2 | Very low | 126 Ų | 126 | 135.4 Ų | 135.4 | 76% | 0.764 | 79% | 0.787 | S | S | * | * | | | trans | 60.2 | 150.7 | 163.9 | -95.9 | 0 | 0 | 0 | 0 | 118.8 | | |
| 728 | M | 37.8 | Very low | 40.4 | Very low | 171 Ų | 171 | 135.1 Ų | 135.1 | 84% | 0.842 | 79% | 0.787 | S | S | * | * | | | cis | -133.4 | 149.8 | 7.6 | -78 | -160 | 171 | 0 | 0 | 115 | | |
| 729 | K | 37.4 | Very low | 40.6 | Very low | 190 Ų | 190 | 136.1 Ų | 136.1 | 83% | 0.826 | 79% | 0.789 | S | S | * | * | | | trans | 19.1 | 141.5 | 146.7 | -83.4 | -175.7 | 177.2 | 179.4 | 0 | 124.6 | | |
| 730 | N | 36.5 | Very low | 40.5 | Very low | 120 Ų | 120 | 136.2 Ų | 136.2 | 64% | 0.642 | 79% | 0.792 | S | S | * | * | | | trans | 99.1 | 78.9 | 139.3 | -76.2 | 30 | 0 | 0 | 0 | 122.6 | | |
| 731 | N | 38.8 | Very low | 41.2 | Very low | 128 Ų | 128 | 137.4 Ų | 137.4 | 68% | 0.684 | 79% | 0.793 | S | S | * | * | | | | 40.7 | 108.4 | 129.3 | 49 | -112 | 0 | 0 | 0 | 123.4 | | |
| 732 | K | 43 | Very low | 40.7 | Very low | 213 Ų | 213 | 138.1 Ų | 138.1 | 93% | 0.926 | 79% | 0.786 | S | S | * | * | | | | 74.5 | 99.5 | 114.5 | -167.7 | 179.7 | -179.1 | 179.9 | 0 | 119.2 | | |
| 733 | G | 38.7 | Very low | 41.4 | Very low | 80 Ų | 80 | 137.2 Ų | 137.2 | 83% | 0.825 | 78% | 0.78 | S | S | * | * | | | trans | -164.5 | 125.6 | 165.3 | 0 | 0 | 0 | 0 | 0 | 113.6 | | |
| 734 | S | 40.8 | Very low | 41.8 | Very low | 134 Ų | 134 | 138.6 Ų | 138.6 | 94% | 0.937 | 78% | 0.779 | S | S | * | * | | | trans | -55.3 | 154.4 | -179.8 | 176.8 | 0 | 0 | 0 | 0 | 116.9 | | |
| 735 | G | 41.3 | Very low | 42.2 | Very low | 59 Ų | 59 | 134.5 Ų | 134.5 | 61% | 0.608 | 77% | 0.774 | S | S | * | * | | | trans | 136.8 | 112.1 | 141.3 | 0 | 0 | 0 | 0 | 0 | 117.7 | | |
| 736 | T | 45.4 | Very low | 42.6 | Very low | 134 Ų | 134 | 134.4 Ų | 134.4 | 82% | 0.822 | 77% | 0.774 | S | S | * | * | | | trans | 22.7 | 112.4 | 145.9 | 51.6 | 0 | 0 | 0 | 0 | 119.1 | | |
| 737 | E | 44.3 | Very low | 42.5 | Very low | 194 Ų | 194 | 136.7 Ų | 136.7 | 91% | 0.907 | 78% | 0.78 | S | S | * | * | | | trans | -67 | 155.7 | 155.3 | 63.5 | -141.2 | 90.6 | 0 | 0 | 112.1 | | |
| 738 | S | 51.4 | Low | 43.2 | Very low | 107 Ų | 107 | 139.2 Ų | 139.2 | 75% | 0.748 | 78% | 0.783 | S | S | * | * | | | trans | -134.1 | 166.4 | -176.4 | -66.1 | 0 | 0 | 0 | 0 | 111.2 | | |
| 739 | D | 37.3 | Very low | 43.5 | Very low | 149 Ų | 149 | 140.1 Ų | 140.1 | 80% | 0.797 | 79% | 0.785 | S | S | * | * | | | trans | 95.2 | 135.7 | 143.7 | -140.3 | -122 | 0 | 0 | 0 | 119.5 | | |
| 740 | S | 42.1 | Very low | 43.6 | Very low | 101 Ų | 101 | 139.9 Ų | 139.9 | 71% | 0.706 | 79% | 0.787 | S | S | * | * | | | trans | 59.8 | 156.5 | 167.5 | -78.8 | 0 | 0 | 0 | 0 | 119.6 | | |
| 741 | D | 45.5 | Very low | 43.5 | Very low | 148 Ų | 148 | 141.2 Ų | 141.2 | 79% | 0.791 | 79% | 0.794 | S | S | * | * | | | cis | -139.6 | 168.6 | 5.3 | -156.4 | -167.3 | 0 | 0 | 0 | 114.1 | | |
| 742 | E | 46.7 | Very low | 43.6 | Very low | 140 Ų | 140 | 140.1 Ų | 140.1 | 65% | 0.654 | 80% | 0.796 | S | S | * | * | | | trans | -66 | 148.3 | 170 | 176.5 | 70.2 | 117.5 | 0 | 0 | 112.7 | | |
| 743 | S | 45.8 | Very low | 43.4 | Very low | 112 Ų | 112 | 135.6 Ų | 135.6 | 78% | 0.783 | 79% | 0.787 | S | S | * | * | | | trans | -168.2 | 103.9 | 156.7 | -86.9 | 0 | 0 | 0 | 0 | 112.9 | | |
| 744 | V | 50 | Low | 43.4 | Very low | 112 Ų | 112 | 138 Ų | 138 | 68% | 0.679 | 78% | 0.777 | S | S | * | * | | | trans | -77 | 144.3 | 166.6 | -157.4 | 0 | 0 | 0 | 0 | 109.9 | | |
| 745 | P | 49.6 | Very low | 43.3 | Very low | 127 Ų | 127 | 135.3 Ų | 135.3 | 83% | 0.825 | 76% | 0.762 | S | S | * | * | | | trans | -99 | 90.1 | 147.7 | -12.5 | 30.7 | 0 | 0 | 0 | 110 | | |
| 746 | E | 43.2 | Very low | 43.3 | Very low | 175 Ų | 175 | 137.5 Ų | 137.5 | 82% | 0.818 | 76% | 0.764 | S | S | * | * | | | trans | -67.1 | 132 | 150.2 | 176.7 | -179.2 | 117.6 | 0 | 0 | 107.6 | | |
| 747 | L | 48.5 | Very low | 43 | Very low | 151 Ų | 151 | 134.1 Ų | 134.1 | 79% | 0.791 | 74% | 0.743 | S | S | * | * | | | trans | -173.9 | 122.9 | 143.7 | -105 | 167.7 | 0 | 0 | 0 | 110.4 | | |
| 748 | E | 42.1 | Very low | 43.1 | Very low | 179 Ų | 179 | 131.2 Ų | 131.2 | 84% | 0.836 | 73% | 0.73 | S | S | * | * | | | trans | -79.1 | 144 | 155.3 | -59.7 | 176.6 | 99.9 | 0 | 0 | 108.6 | | |
| 749 | E | 45 | Very low | 42.9 | Very low | 189 Ų | 189 | 132.4 Ų | 132.4 | 88% | 0.883 | 72% | 0.724 | S | S | * | * | | | trans | -150.5 | 128.1 | 154.4 | -120.5 | 175.2 | 166 | 0 | 0 | 109.8 | | |
| 750 | Q | 38.6 | Very low | 43.1 | Very low | 186 Ų | 186 | 130.1 Ų | 130.1 | 87% | 0.869 | 73% | 0.725 | S | S | * | * | | | trans | -111.1 | 128.9 | 174.7 | -71.9 | -169.8 | 0.9 | 0 | 0 | 110.5 | | |
| 751 | D | 34.9 | Very low | 43.2 | Very low | 148 Ų | 148 | 134.2 Ų | 134.2 | 79% | 0.791 | 73% | 0.733 | S | S | * | * | | | trans | 27.1 | 110.7 | 144.8 | -162.8 | -0.2 | 0 | 0 | 0 | 119.2 | | |
| 752 | S | 42 | Very low | 43 | Very low | 104 Ų | 104 | 135.8 Ų | 135.8 | 73% | 0.727 | 74% | 0.74 | S | S | * | * | | | trans | -163.6 | 131.8 | 139.3 | -88.2 | 0 | 0 | 0 | 0 | 115.9 | | |
| 753 | T | 37.5 | Very low | 42.6 | Very low | 118 Ų | 118 | 134.2 Ų | 134.2 | 72% | 0.724 | 75% | 0.752 | S | S | * | * | | | trans | 70 | 99.6 | 149 | 54.9 | 0 | 0 | 0 | 0 | 122 | | |
| 754 | Q | 38.6 | Very low | 42.2 | Very low | 132 Ų | 132 | 134 Ų | 134 | 62% | 0.617 | 76% | 0.757 | S | S | * | * | | | | 46.6 | 111.7 | 125.3 | -63 | -178.3 | -26.6 | 0 | 0 | 120.5 | I581 | I581-Q754 HydrophobicContact CD1-CB 3.96Å; I581-Q754 HydrophobicContact CD1-CG 3.96Å; I581-Q754 HydrophobicContact CG1-CG 4.41Å; I581-Q754 HydrophobicContact CG2-CG 4.19Å; I581-Q754 VanDerWaalsContact CG2-NE2 3.34Å |
| 755 | A | 39.7 | Very low | 41.5 | Very low | 76 Ų | 76 | 133.9 Ų | 133.9 | 63% | 0.628 | 77% | 0.767 | S | S | * | * | | | | 160.2 | 135.8 | 99.6 | 0 | 0 | 0 | 0 | 0 | 114 | I581 | I581-A755 HydrophobicContact CD1-CB 4.36Š|
| 756 | T | 41.2 | Very low | 41.1 | Very low | 106 Ų | 106 | 132.3 Ų | 132.3 | 65% | 0.65 | 77% | 0.765 | S | S | * | * | | | trans | 101 | 86.6 | 159.1 | -40.6 | 0 | 0 | 0 | 0 | 115.4 | E580 | E580-T756 VanDerWaalsContact OE2-C 3.23Å; E580-T756 WeakPolarHBondContact OE2-CA 3.47Å; E580-T756 PolarHBondContact OE2-N 2.94Å |
| 757 | T | 39.1 | Very low | 40.8 | Very low | 62 Ų | 62 | 133 Ų | 133 | 38% | 0.38 | 77% | 0.768 | S | S | . | * | | | | 146.2 | 98.4 | 95.4 | -109 | 0 | 0 | 0 | 0 | 118.6 | S578 E580 | S578-T757 VanDerWaalsContact C-OG1 3.31Å; S578-T757 VanDerWaalsContact CB-C 3.49Å; S578-T757 VanDerWaalsContact CB-CB 3.4Å; S578-T757 WeakPolarHBondContact CB-OG1 3.47Å; S578-T757 PolarHBondContact O-OG1 3.37Å; E580-T757 PolarHBondContact OE2-N 2.68Å |
| 758 | Q | 45.5 | Very low | 40.6 | Very low | 133 Ų | 133 | 133 Ų | 133 | 62% | 0.621 | 77% | 0.768 | S | S | * | * | | | trans | -97.2 | 112 | 170.9 | -73.9 | 168 | 20.7 | 0 | 0 | 116 | S578 E580 | S578-Q758 VanDerWaalsContact CA-O 3.32Å; S578-Q758 WeakPolarHBondContact CA-O 3.47Å; S578-Q758 VanDerWaalsContact CB-C 3.43Å; S578-Q758 WeakPolarHBondContact CB-O 3.37Å; S578-Q758 PolarHBondContact OG-O 3.2Å; E580-Q758 HydrophobicContact CB-CB 4.27Å; E580-Q758 HydrophobicContact CB-CG 4.02Å; E580-Q758 HydrophobicContact CG-CG 3.87Å |
| 759 | Q | 47.4 | Very low | 40.4 | Very low | 133 Ų | 133 | 132.3 Ų | 132.3 | 62% | 0.621 | 77% | 0.769 | S | S | * | * | | | trans | -173.6 | 69 | 161.9 | -162.9 | -178.7 | 71.9 | 0 | 0 | 112.2 | S578 | S578-Q759 WeakPolarHBondContact OG-CA 3.08Å; S578-Q759 WeakPolarHBondContact OG-CB 3.44Å; S578-Q759 PolarHBondContact OG-N 3.21Å |
| 760 | A | 41.8 | Very low | 40.3 | Very low | 100 Ų | 100 | 129.6 Ų | 129.6 | 83% | 0.826 | 76% | 0.757 | S | S | * | * | | | trans | -152.7 | 43.9 | 175.4 | 0 | 0 | 0 | 0 | 0 | 113.9 | | |
| 761 | Q | 43.9 | Very low | 40.2 | Very low | 187 Ų | 187 | 127.1 Ų | 127.1 | 87% | 0.874 | 75% | 0.745 | S | S | * | * | | | trans | -134.5 | 89.9 | 172.3 | -70.2 | -172.1 | 9 | 0 | 0 | 111.2 | | |
| 762 | L | 41.2 | Very low | 40.9 | Very low | 181 Ų | 181 | 125.8 Ų | 125.8 | 95% | 0.948 | 74% | 0.744 | S | S | * | * | | | trans | -172.3 | 76.2 | 155.2 | -134.2 | 75.7 | 0 | 0 | 0 | 112.4 | | |
| 763 | A | 38.8 | Very low | 40.8 | Very low | 108 Ų | 108 | 124.4 Ų | 124.4 | 89% | 0.893 | 73% | 0.731 | S | S | * | * | S | Bend | trans | -168.6 | 38.6 | 169.6 | 0 | 0 | 0 | 0 | 0 | 115.5 | | |
| 764 | A | 36.8 | Very low | 41.4 | Very low | 107 Ų | 107 | 123.2 Ų | 123.2 | 88% | 0.884 | 73% | 0.728 | S | S | * | * | | | trans | -152.7 | 29.3 | 176.7 | 0 | 0 | 0 | 0 | 0 | 114.1 | | |
| 765 | A | 37.3 | Very low | 42.2 | Very low | 110 Ų | 110 | 126.6 Ų | 126.6 | 91% | 0.909 | 74% | 0.741 | S | S | * | * | | | trans | -101.2 | 87.2 | 178.1 | 0 | 0 | 0 | 0 | 0 | 110.1 | | |
| 766 | A | 40.8 | Very low | 43.3 | Very low | 93 Ų | 93 | 125 Ų | 125 | 77% | 0.769 | 73% | 0.728 | S | S | * | * | | | trans | -144.1 | 107.1 | 170.8 | 0 | 0 | 0 | 0 | 0 | 109.8 | | |
| 767 | E | 36.9 | Very low | 44.9 | Very low | 191 Ų | 191 | 130 Ų | 130 | 89% | 0.893 | 74% | 0.74 | S | S | * | * | S | Bend | trans | 55.8 | 70 | 150.3 | -159 | 170.4 | -149.7 | 0 | 0 | 118.4 | | |
| 768 | I | 42.9 | Very low | 46.9 | Very low | 151 Ų | 151 | 130.5 Ų | 130.5 | 77% | 0.774 | 74% | 0.739 | S | S | * | * | | | | -140.7 | 91.7 | 128.6 | -48 | 180 | 0 | 0 | 0 | 108.5 | E770 | I768-E770 HydrophobicContact CG2-CB 3.8Å; I768-E770 HydrophobicContact CG2-CG 3.67Å; I768-E770 PolarHBondContact O-N 2.82Å |
| 769 | D | 38.3 | Very low | 49 | Very low | 163 Ų | 163 | 126.5 Ų | 126.5 | 87% | 0.872 | 73% | 0.725 | S | S | * | * | | | trans | -86 | 65.6 | 165.3 | -170.8 | 30.5 | 0 | 0 | 0 | 109.9 | E771 | D769-E771 PolarHBondContact O-N 2.89Š|
| 770 | E | 42.8 | Very low | 51.2 | Low | 132 Ų | 132 | 131.4 Ų | 131.4 | 62% | 0.617 | 74% | 0.738 | S | S | * | * | | | trans | -84.4 | 93.7 | 169.1 | -93.6 | -80.8 | 136.8 | 0 | 0 | 108.2 | I768 K817 | I768-E770 HydrophobicContact CG2-CB 3.8Å; I768-E770 HydrophobicContact CG2-CG 3.67Å; I768-E770 PolarHBondContact O-N 2.82Å; E770-K817 IonicContact OE2-NZ 3.54Å; E770-K817 PolarHBondContact OE2-NZ 3.49Å |
| 771 | E | 36 | Very low | 53.6 | Low | 135 Ų | 135 | 130.7 Ų | 130.7 | 63% | 0.631 | 73% | 0.727 | S | S | * | * | | | trans | -37.2 | 128.8 | 171 | -176.7 | -168.3 | -162.2 | 0 | 0 | 110.7 | D769 V773 | D769-E771 PolarHBondContact O-N 2.89Å; E771-V773 HydrophobicContact CB-CG2 4.17Å; E771-V773 HydrophobicContact CG-CG2 3.9Å; E771-V773 PolarHBondContact O-N 3.26Å; E771-V773 WeakPolarHBondContact OE2-CG2 3.45Å |
| 772 | P | 50.4 | Low | 55.9 | Low | 119 Ų | 119 | 124.1 Ų | 124.1 | 77% | 0.773 | 70% | 0.696 | S | S | * | * | | | trans | -76.6 | 50.9 | -178.2 | 33.2 | -36.7 | 0 | 0 | 0 | 112.2 | S774 | P772-S774 PolarHBondContact O-N 2.67Š|
| 773 | V | 40.1 | Very low | 58.4 | Low | 75 Ų | 75 | 122 Ų | 122 | 46% | 0.455 | 68% | 0.68 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -44.9 | 105.6 | 172.5 | 176.7 | 0 | 0 | 0 | 0 | 109 | E771 K775 | E771-V773 HydrophobicContact CB-CG2 4.17Å; E771-V773 HydrophobicContact CG-CG2 3.9Å; E771-V773 PolarHBondContact O-N 3.26Å; E771-V773 WeakPolarHBondContact OE2-CG2 3.45Å; V773-K775 PolarHBondContact O-N 3.28Å |
| 774 | S | 49.3 | Very low | 61.1 | Low | 93 Ų | 93 | 124.9 Ų | 124.9 | 65% | 0.65 | 67% | 0.672 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 18.4 | 93.5 | 177.5 | 60.4 | 0 | 0 | 0 | 0 | 115 | P772 A776 | P772-S774 PolarHBondContact O-N 2.67Å; S774-A776 PolarHBondContact O-N 2.9Å |
| 775 | K | 56.5 | Low | 63.9 | Low | 203 Ų | 203 | 121.2 Ų | 121.2 | 88% | 0.883 | 64% | 0.642 | S | S | * | * | | | trans | -64.8 | 74.2 | 145.1 | -76 | 176.5 | -179.8 | 164.8 | 0 | 107.9 | V773 K777 | V773-K775 PolarHBondContact O-N 3.28Å; K775-K777 PolarHBondContact O-N 3.39Å |
| 776 | A | 62.4 | Low | 66.6 | Low | 44 Ų | 44 | 117.6 Ų | 117.6 | 36% | 0.364 | 60% | 0.604 | S | S | . | * | | | trans | -47.4 | 127.7 | 175.4 | 0 | 0 | 0 | 0 | 0 | 107.6 | S774 Q778 E834 | S774-A776 PolarHBondContact O-N 2.9Å; A776-Q778 WeakPolarHBondContact O-CA 3.33Å; A776-Q778 PolarHBondContact O-N 3.38Å; A776-E834 VanDerWaalsContact CB-OE1 3.3Å; A776-E834 WeakPolarHBondContact CB-OE1 3.2Å |
| 777 | K | 74.1 | Confident | 69.2 | Low | 209 Ų | 209 | 121.2 Ų | 121.2 | 91% | 0.909 | 60% | 0.603 | S | S | * | * | | | trans | -58 | 91.5 | -148.3 | -174.7 | 176.6 | -179.4 | 175.6 | 0 | 112 | K775 S779 | K775-K777 PolarHBondContact O-N 3.39Å; K777-S779 PolarHBondContact O-N 3.16Å; K777-S779 VanDerWaalsContact O-N 3.09Å |
| 778 | Q | 82.3 | Confident | 72.1 | Confident | 74 Ų | 74 | 114 Ų | 114 | 35% | 0.346 | 58% | 0.576 | S | S | . | * | | | trans | -45.8 | 116.5 | -164.1 | -167.3 | -162.9 | 20.2 | 0 | 0 | 110.8 | A776 E782 K783 | A776-Q778 WeakPolarHBondContact O-CA 3.33Å; A776-Q778 PolarHBondContact O-N 3.38Å; Q778-E782 HydrophobicContact CG-CB 4.49Å; Q778-E782 HydrophobicContact CG-CG 4.06Å; Q778-E782 WeakPolarHBondContact CG-OE1 3.25Å; Q778-E782 WeakPolarHBondContact CG-OE2 3.38Å; Q778-K783 HydrophobicContact CG-CB 4.46Å |
| 779 | S | 90.1 | Very high | 74.6 | Confident | 49 Ų | 49 | 108.7 Ų | 108.7 | 34% | 0.343 | 55% | 0.548 | S | S | . | . | | | trans | -68.5 | 149 | -167.6 | 66.4 | 0 | 0 | 0 | 0 | 110.9 | K777 S781 E782 K783 | K777-S779 PolarHBondContact O-N 3.16Å; K777-S779 VanDerWaalsContact O-N 3.09Å; S779-S781 PolarHBondContact O-N 2.98Å; S779-S781 PolarHBondContact OG-OG 3.47Å; S779-E782 PolarHBondContact N-OE2 3.1Å; S779-E782 PolarHBondContact O-N 3.4Å; S779-E782 VanDerWaalsContact O-N 3.13Å; S779-E782 WeakPolarHBondContact OG-CB 3.45Å; S779-E782 PolarHBondContact OG-N 2.92Å; S779-E782 PolarHBondContact OG-OE2 2.79Å; S779-K783 PolarHBondContact O-N 3.49Å |
| 780 | R | 93.1 | Very high | 77.2 | Confident | 235 Ų | 235 | 104 Ų | 104 | 89% | 0.887 | 53% | 0.528 | S | S | * | . | H | α-helix | trans | -59.6 | -33.7 | -179.3 | -172.2 | -179.6 | -179.8 | -169.1 | 1.6 | 111.6 | K784 | R780-K784 WeakPolarHBondContact O-CB 3.46Å; R780-K784 PolarHBondContact O-N 3.07Å; R780-K784 VanDerWaalsContact O-N 3.15Å |
| 781 | S | 92.4 | Very high | 79.7 | Confident | 85 Ų | 85 | 107 Ų | 107 | 59% | 0.594 | 54% | 0.539 | S | S | * | . | H | α-helix | trans | -65.8 | -51.1 | 172.4 | 36.7 | 0 | 0 | 0 | 0 | 112 | S779 K784 A785 | S779-S781 PolarHBondContact O-N 2.98Å; S779-S781 PolarHBondContact OG-OG 3.47Å; S781-K784 WeakPolarHBondContact O-CB 3.38Å; S781-K784 PolarHBondContact O-N 3.01Å; S781-A785 WeakPolarHBondContact O-CB 3.12Å; S781-A785 PolarHBondContact O-N 3.24Å |
| 782 | E | 92.1 | Very high | 82.6 | Confident | 50 Ų | 50 | 106.8 Ų | 106.8 | 23% | 0.234 | 54% | 0.542 | C | S | . | . | H | α-helix | trans | -60.1 | -44.8 | 176.7 | 177 | -164.3 | 171.9 | 0 | 0 | 112.5 | Q778 S779 K784 A785 R786 F832 | Q778-E782 HydrophobicContact CG-CB 4.49Å; Q778-E782 HydrophobicContact CG-CG 4.06Å; Q778-E782 WeakPolarHBondContact CG-OE1 3.25Å; Q778-E782 WeakPolarHBondContact CG-OE2 3.38Å; S779-E782 PolarHBondContact N-OE2 3.1Å; S779-E782 PolarHBondContact O-N 3.4Å; S779-E782 VanDerWaalsContact O-N 3.13Å; S779-E782 WeakPolarHBondContact OG-CB 3.45Å; S779-E782 PolarHBondContact OG-N 2.92Å; S779-E782 PolarHBondContact OG-OE2 2.79Å; E782-K784 VanDerWaalsContact C-N 3.3Å; E782-K784 PolarHBondContact O-N 3.35Å; E782-A785 PolarHBondContact O-N 3.43Å; E782-R786 VanDerWaalsContact CG-NH2 3.3Å; E782-R786 WeakPolarHBondContact O-CB 3.49Å; E782-R786 PolarHBondContact O-N 2.79Å; E782-R786 IonicContact OE1-CZ 3.34Å; E782-R786 IonicContact OE1-NH1 3.58Å; E782-R786 IonicContact OE1-NH2 2.61Å; E782-R786 PolarHBondContact OE1-NH2 2.9Å; E782-F832 HydrophobicContact CG-CD1 4.23Å |
| 783 | K | 93.1 | Very high | 84.7 | Confident | 137 Ų | 137 | 103.1 Ų | 103.1 | 60% | 0.596 | 53% | 0.525 | S | S | * | . | H | α-helix | trans | -63.3 | -36.3 | 176.3 | -170 | 169.3 | -176 | 169.6 | 0 | 112 | Q778 S779 K787 | Q778-K783 HydrophobicContact CG-CB 4.46Å; S779-K783 PolarHBondContact O-N 3.49Å; K783-K787 PolarHBondContact O-N 3.37Å |
| 784 | K | 95.7 | Very high | 87.4 | Confident | 168 Ų | 168 | 101.1 Ų | 101.1 | 73% | 0.73 | 51% | 0.512 | S | S | * | . | H | α-helix | trans | -67.1 | -44.8 | 171.8 | -175.9 | -175.6 | 177.6 | -172.6 | 0 | 111.2 | R780 S781 E782 K787 A788 | R780-K784 WeakPolarHBondContact O-CB 3.46Å; R780-K784 PolarHBondContact O-N 3.07Å; R780-K784 VanDerWaalsContact O-N 3.15Å; S781-K784 WeakPolarHBondContact O-CB 3.38Å; S781-K784 PolarHBondContact O-N 3.01Å; E782-K784 VanDerWaalsContact C-N 3.3Å; E782-K784 PolarHBondContact O-N 3.35Å; K784-K787 PolarHBondContact O-N 3.47Å; K784-A788 WeakPolarHBondContact O-CB 3.44Å; K784-A788 PolarHBondContact O-N 3.09Å |
| 785 | A | 95.6 | Very high | 89.6 | Confident | 30 Ų | 30 | 105.5 Ų | 105.5 | 25% | 0.248 | 51% | 0.514 | C | S | . | . | H | α-helix | trans | -63.7 | -46.6 | 179.2 | 0 | 0 | 0 | 0 | 0 | 111.7 | S781 E782 K787 A788 M789 F832 | S781-A785 WeakPolarHBondContact O-CB 3.12Å; S781-A785 PolarHBondContact O-N 3.24Å; E782-A785 PolarHBondContact O-N 3.43Å; A785-K787 PolarHBondContact O-N 2.93Å; A785-A788 CarbonylContact O-C 3.55Å; A785-A788 WeakPolarHBondContact O-CA 3.35Å; A785-A788 WeakPolarHBondContact O-CB 3.26Å; A785-A788 PolarHBondContact O-N 3.22Å; A785-M789 WeakPolarHBondContact O-CG 3.27Å; A785-M789 PolarHBondContact O-N 2.57Å; A785-F832 HydrophobicContact CB-CE1 3.77Å; A785-F832 HydrophobicContact CB-CZ 3.94Å |
| 786 | R | 94.6 | Very high | 91.5 | Very high | 34 Ų | 34 | 100.5 Ų | 100.5 | 13% | 0.128 | 49% | 0.494 | C | S | . | . | H | α-helix | trans | -58.2 | -45.8 | 177.4 | -163.3 | 161.3 | -59.5 | 149.4 | 15.8 | 111.7 | E782 A788 M789 S790 D819 Y821 | E782-R786 VanDerWaalsContact CG-NH2 3.3Å; E782-R786 WeakPolarHBondContact O-CB 3.49Å; E782-R786 PolarHBondContact O-N 2.79Å; E782-R786 IonicContact OE1-CZ 3.34Å; E782-R786 IonicContact OE1-NH1 3.58Å; E782-R786 IonicContact OE1-NH2 2.61Å; E782-R786 PolarHBondContact OE1-NH2 2.9Å; R786-A788 VanDerWaalsContact C-N 3.32Å; R786-A788 PolarHBondContact O-N 2.74Å; R786-M789 PolarHBondContact O-N 2.86Å; R786-S790 PolarHBondContact O-N 3.16Å; R786-S790 VanDerWaalsContact O-N 3.12Å; R786-S790 PolarHBondContact O-OG 3.06Å; R786-D819 VanDerWaalsContact CD-OD2 3.29Å; R786-D819 WeakPolarHBondContact CD-OD2 3.19Å; R786-D819 IonicContact CZ-OD2 2.65Å; R786-D819 IonicContact NE-OD2 2.64Å; R786-D819 PolarHBondContact NE-OD2 3.5Å; R786-D819 IonicContact NH1-OD2 3.64Å; R786-D819 PolarHBondContact NH1-OD2 3.31Å; R786-Y821 WeakPolarHBondContact CD-OH 3.49Å; R786-Y821 HydrophobicContact CG-CE2 3.68Å; R786-Y821 WeakPolarHBondContact CG-OH 3.31Å |
| 787 | K | 94.9 | Very high | 93.1 | Very high | 168 Ų | 168 | 100.9 Ų | 100.9 | 73% | 0.73 | 49% | 0.492 | S | S | * | . | H | α-helix | trans | -65.5 | -31.7 | 173.6 | -169.6 | 168.4 | -176.2 | 173.4 | 0 | 113 | K783 K784 A785 K791 | K783-K787 PolarHBondContact O-N 3.37Å; K784-K787 PolarHBondContact O-N 3.47Å; A785-K787 PolarHBondContact O-N 2.93Å; K787-K791 WeakPolarHBondContact O-CB 3.41Å; K787-K791 PolarHBondContact O-N 3.43Å |
| 788 | A | 96.6 | Very high | 94.1 | Very high | 40 Ų | 40 | 96.8 Ų | 96.8 | 33% | 0.331 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -69.5 | -43.4 | 173.4 | 0 | 0 | 0 | 0 | 0 | 112.1 | K784 A785 R786 S790 K791 L792 | K784-A788 WeakPolarHBondContact O-CB 3.44Å; K784-A788 PolarHBondContact O-N 3.09Å; A785-A788 CarbonylContact O-C 3.55Å; A785-A788 WeakPolarHBondContact O-CA 3.35Å; A785-A788 WeakPolarHBondContact O-CB 3.26Å; A785-A788 PolarHBondContact O-N 3.22Å; R786-A788 VanDerWaalsContact C-N 3.32Å; R786-A788 PolarHBondContact O-N 2.74Å; A788-S790 PolarHBondContact O-N 3.44Å; A788-K791 CarbonylContact O-C 3.54Å; A788-K791 PolarHBondContact O-N 3.21Å; A788-L792 WeakPolarHBondContact O-CG 3.23Å; A788-L792 PolarHBondContact O-N 3.39Å |
| 789 | M | 95.4 | Very high | 94.7 | Very high | 40 Ų | 40 | 96.9 Ų | 96.9 | 20% | 0.197 | 51% | 0.505 | C | S | . | . | H | α-helix | trans | -60.5 | -44.1 | 176.7 | -62.3 | -39.6 | 171.5 | 0 | 0 | 111.6 | A785 R786 K791 L792 G793 L794 Y821 I830 F832 | A785-M789 WeakPolarHBondContact O-CG 3.27Å; A785-M789 PolarHBondContact O-N 2.57Å; R786-M789 PolarHBondContact O-N 2.86Å; M789-K791 PolarHBondContact O-N 2.93Å; M789-L792 PolarHBondContact O-N 3.34Å; M789-L792 HydrophobicContact SD-CD1 4.3Å; M789-G793 PolarHBondContact O-N 3.28Å; M789-L794 HydrophobicContact CB-CB 4.41Å; M789-L794 HydrophobicContact CB-CD1 3.99Å; M789-L794 HydrophobicContact CG-CD1 4.18Å; M789-L794 WeakPolarHBondContact O-CB 3.41Å; M789-L794 PolarHBondContact O-N 2.71Å; M789-L794 VanDerWaalsContact O-N 3.12Å; M789-L794 HydrophobicContact SD-CD1 3.73Å; M789-Y821 HydrophobicContact CB-CD1 4.14Å; M789-Y821 HydrophobicContact CB-CG 4.23Å; M789-I830 HydrophobicContact CE-CD1 3.77Å; M789-I830 HydrophobicContact CE-CG2 4.48Å; M789-I830 HydrophobicContact CG-CD1 4.28Å; M789-I830 HydrophobicContact SD-CD1 3.66Å; M789-F832 HydrophobicContact CE-CZ 4.36Å; M789-F832 HydrophobicContact CG-CE2 4.02Å; M789-F832 HydrophobicContact CG-CZ 3.91Å |
| 790 | S | 94 | Very high | 95 | Very high | 64 Ų | 64 | 96.7 Ų | 96.7 | 45% | 0.448 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -60.4 | -41.1 | 171.2 | -57.6 | 0 | 0 | 0 | 0 | 112.8 | R786 A788 L792 G793 | R786-S790 PolarHBondContact O-N 3.16Å; R786-S790 VanDerWaalsContact O-N 3.12Å; R786-S790 PolarHBondContact O-OG 3.06Å; A788-S790 PolarHBondContact O-N 3.44Å; S790-L792 VanDerWaalsContact C-N 3.32Å; S790-L792 PolarHBondContact O-N 2.95Å; S790-G793 PolarHBondContact O-N 2.81Å; S790-G793 VanDerWaalsContact O-N 3.16Å |
| 791 | K | 96.2 | Very high | 95.2 | Very high | 194 Ų | 194 | 90.6 Ų | 90.6 | 84% | 0.843 | 49% | 0.491 | S | S | * | . | H | α-helix | trans | -70.2 | -26.4 | 178.3 | -174 | 170.7 | 179.9 | 179.1 | 0 | 113.2 | K787 A788 M789 G793 | K787-K791 WeakPolarHBondContact O-CB 3.41Å; K787-K791 PolarHBondContact O-N 3.43Å; A788-K791 CarbonylContact O-C 3.54Å; A788-K791 PolarHBondContact O-N 3.21Å; M789-K791 PolarHBondContact O-N 2.93Å; K791-G793 PolarHBondContact O-N 2.86Å |
| 792 | L | 95.2 | Very high | 95.3 | Very high | 131 Ų | 131 | 93.2 Ų | 93.2 | 69% | 0.686 | 49% | 0.488 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -78.8 | 1.9 | 172.3 | -69.4 | 170.3 | 0 | 0 | 0 | 113.2 | A788 M789 S790 L794 | A788-L792 WeakPolarHBondContact O-CG 3.23Å; A788-L792 PolarHBondContact O-N 3.39Å; M789-L792 PolarHBondContact O-N 3.34Å; M789-L792 HydrophobicContact SD-CD1 4.3Å; S790-L792 VanDerWaalsContact C-N 3.32Å; S790-L792 PolarHBondContact O-N 2.95Å; L792-L794 VanDerWaalsContact C-N 3.32Å; L792-L794 HydrophobicContact CB-CG 4.41Å; L792-L794 PolarHBondContact O-N 3.2Å |
| 793 | G | 94.9 | Very high | 95.5 | Very high | 42 Ų | 42 | 92.2 Ų | 92.2 | 43% | 0.433 | 49% | 0.485 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 78.9 | 10.5 | 179.2 | 0 | 0 | 0 | 0 | 0 | 114.7 | M789 S790 K791 R795 | M789-G793 PolarHBondContact O-N 3.28Å; S790-G793 PolarHBondContact O-N 2.81Å; S790-G793 VanDerWaalsContact O-N 3.16Å; K791-G793 PolarHBondContact O-N 2.86Å; G793-R795 PolarHBondContact O-N 2.72Å |
| 794 | L | 96.5 | Very high | 95.6 | Very high | 33 Ų | 33 | 89.2 Ų | 89.2 | 17% | 0.173 | 48% | 0.478 | C | S | . | . | P | Polyproline II helix | trans | -69.9 | 129.5 | 171.9 | -52.2 | -177.3 | 0 | 0 | 0 | 109.1 | M789 L792 Y821 I830 | M789-L794 HydrophobicContact CB-CB 4.41Å; M789-L794 HydrophobicContact CB-CD1 3.99Å; M789-L794 HydrophobicContact CG-CD1 4.18Å; M789-L794 WeakPolarHBondContact O-CB 3.41Å; M789-L794 PolarHBondContact O-N 2.71Å; M789-L794 VanDerWaalsContact O-N 3.12Å; M789-L794 HydrophobicContact SD-CD1 3.73Å; L792-L794 VanDerWaalsContact C-N 3.32Å; L792-L794 HydrophobicContact CB-CG 4.41Å; L792-L794 PolarHBondContact O-N 3.2Å; L794-Y821 HydrophobicContact CB-CD1 4.49Å; L794-I830 HydrophobicContact CD1-CD1 3.57Å |
| 795 | R | 95.4 | Very high | 95.6 | Very high | 186 Ų | 186 | 85.7 Ų | 85.7 | 70% | 0.702 | 47% | 0.466 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -85.3 | 127.3 | -176.4 | -66.5 | -176.3 | 175.4 | -125.7 | 0.3 | 109.6 | G793 Y821 K822 | G793-R795 PolarHBondContact O-N 2.72Å; R795-Y821 CarbonylContact O-C 3.53Å; R795-Y821 WeakPolarHBondContact O-CA 3.44Å; R795-K822 PolarHBondContact N-O 2.97Å; R795-K822 PolarHBondContact O-N 3.34Å |
| 796 | Q | 96.4 | Very high | 95.6 | Very high | 97 Ų | 97 | 92.4 Ų | 92.4 | 45% | 0.453 | 49% | 0.485 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -65.7 | 134.7 | 171.1 | -164.6 | 172.7 | -3 | 0 | 0 | 109.3 | D819 V820 Y821 | Q796-D819 PolarHBondContact NE2-OD1 2.61Å; Q796-V820 CarbonylContact C-O 3.55Å; Q796-V820 WeakPolarHBondContact CA-O 3.47Å; Q796-Y821 HydrophobicContact CB-CD1 4.01Å; Q796-Y821 HydrophobicContact CB-CE1 3.56Å; Q796-Y821 HydrophobicContact CG-CD1 4.47Å; Q796-Y821 HydrophobicContact CG-CE1 3.87Å; Q796-Y821 HydrophobicContact CG-CE2 4.14Å; Q796-Y821 PolarHBondContact OE1-OH 3.28Å |
| 797 | V | 96.4 | Very high | 95.5 | Very high | 52 Ų | 52 | 98.6 Ų | 98.6 | 32% | 0.315 | 51% | 0.513 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.1 | 103.7 | 176.7 | -173.3 | 0 | 0 | 0 | 0 | 107.4 | V800 V820 K822 | V797-V800 HydrophobicContact CB-CG2 4.24Å; V797-V800 HydrophobicContact CG1-CG2 3.76Å; V797-V820 HydrophobicContact CB-CB 4.28Å; V797-V820 HydrophobicContact CB-CG1 4.23Å; V797-V820 HydrophobicContact CG2-CG1 4.26Å; V797-V820 PolarHBondContact N-O 2.93Å; V797-K822 HydrophobicContact CG2-CB 3.76Å |
| 798 | T | 95.7 | Very high | 95.3 | Very high | 124 Ų | 124 | 93.3 Ų | 93.3 | 76% | 0.761 | 50% | 0.497 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -75.5 | 153.6 | 178.8 | 48.6 | 0 | 0 | 0 | 0 | 111.6 | | |
| 799 | G | 95.3 | Very high | 94.9 | Very high | 76 Ų | 76 | 99.2 Ų | 99.2 | 78% | 0.784 | 52% | 0.516 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 82.9 | 8 | 175.2 | 0 | 0 | 0 | 0 | 0 | 116.2 | T801 | G799-T801 PolarHBondContact O-N 3.49Š|
| 800 | V | 96.1 | Very high | 94.5 | Very high | 44 Ų | 44 | 100.7 Ų | 100.7 | 27% | 0.267 | 52% | 0.524 | S | S | . | . | | | trans | -82.8 | 94.3 | 176.6 | -169.8 | 0 | 0 | 0 | 0 | 110.8 | V797 V803 P818 V820 | V797-V800 HydrophobicContact CB-CG2 4.24Å; V797-V800 HydrophobicContact CG1-CG2 3.76Å; V800-V803 HydrophobicContact CG1-CG2 3.76Å; V800-P818 HydrophobicContact CB-CG 4.5Å; V800-P818 HydrophobicContact CG1-CG 3.98Å; V800-P818 WeakPolarHBondContact O-CD 3.22Å; V800-P818 WeakPolarHBondContact O-CG 3.17Å; V800-V820 HydrophobicContact CB-CG2 4.07Å; V800-V820 HydrophobicContact CG1-CG2 3.99Å; V800-V820 HydrophobicContact CG2-CB 4.3Å; V800-V820 HydrophobicContact CG2-CG2 4.21Å |
| 801 | T | 95.9 | Very high | 94.5 | Very high | 107 Ų | 107 | 99.8 Ų | 99.8 | 66% | 0.656 | 51% | 0.514 | S | S | * | . | | | trans | -74.5 | -30.5 | -177 | -48.5 | 0 | 0 | 0 | 0 | 114.2 | G799 K817 P818 | G799-T801 PolarHBondContact O-N 3.49Å; T801-K817 WeakPolarHBondContact O-CA 3.47Å; T801-K817 PolarHBondContact O-N 2.86Å; T801-P818 WeakPolarHBondContact O-CD 3.41Å |
| 802 | R | 95.7 | Very high | 94.4 | Very high | 141 Ų | 141 | 91.9 Ų | 91.9 | 53% | 0.532 | 48% | 0.481 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -150.2 | 139 | -178.3 | -170.5 | -179.2 | -177.9 | 169.1 | 4.2 | 109.9 | T804 V814 I815 E838 | R802-T804 HydrophobicContact CG-CG2 4.09Å; R802-V814 HydrophobicContact CG-CG1 4.36Å; R802-I815 WeakPolarHBondContact CA-O 3.26Å; R802-E838 IonicContact NH2-OE2 2.95Å |
| 803 | V | 96.8 | Very high | 94.4 | Very high | 29 Ų | 29 | 88.4 Ų | 88.4 | 18% | 0.176 | 46% | 0.46 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.8 | 137.2 | 165.7 | 165.6 | 0 | 0 | 0 | 0 | 108.1 | V800 I805 I815 P818 V820 V831 | V800-V803 HydrophobicContact CG1-CG2 3.76Å; V803-I805 HydrophobicContact CG1-CG1 4.07Å; V803-I815 HydrophobicContact CB-CB 4.42Å; V803-I815 PolarHBondContact N-O 3.31Å; V803-I815 PolarHBondContact O-N 3.48Å; V803-P818 HydrophobicContact CB-CG 4.28Å; V803-P818 HydrophobicContact CG2-CB 4.41Å; V803-P818 HydrophobicContact CG2-CG 3.86Å; V803-V820 HydrophobicContact CG2-CG2 4.21Å; V803-V831 HydrophobicContact CB-CG1 4.34Å; V803-V831 HydrophobicContact CG1-CG1 4.38Å; V803-V831 HydrophobicContact CG1-CG2 4.47Å; V803-V831 HydrophobicContact CG2-CG1 4.22Å; V803-V831 HydrophobicContact CG2-CG2 4.46Å |
| 804 | T | 95.4 | Very high | 94.4 | Very high | 74 Ų | 74 | 86.7 Ų | 86.7 | 45% | 0.454 | 44% | 0.441 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -132 | 113.3 | 177.5 | 50.8 | 0 | 0 | 0 | 0 | 110.7 | R802 F813 V814 | R802-T804 HydrophobicContact CG-CG2 4.09Å; T804-F813 CarbonylContact C-O 3.42Å; T804-F813 WeakPolarHBondContact CA-O 3.21Å; T804-V814 HydrophobicContact CG2-CG2 4.15Å |
| 805 | I | 95.2 | Very high | 94.4 | Very high | 93 Ų | 93 | 85.7 Ų | 85.7 | 48% | 0.477 | 44% | 0.436 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.8 | 106.9 | 179.7 | -51.2 | 174.3 | 0 | 0 | 0 | 108.3 | V803 K807 F813 | V803-I805 HydrophobicContact CG1-CG1 4.07Å; I805-K807 PolarHBondContact O-N 2.69Å; I805-F813 HydrophobicContact CB-CB 4.28Å; I805-F813 PolarHBondContact N-O 3.29Å; I805-F813 PolarHBondContact O-N 2.84Å |
| 806 | R | 94.5 | Very high | 94.5 | Very high | 171 Ų | 171 | 80.5 Ų | 80.5 | 65% | 0.645 | 43% | 0.425 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -81.4 | 108.4 | 179.1 | -174.8 | 179 | -165.2 | -174.8 | 9.9 | 110.1 | S808 K809 L812 | R806-S808 WeakPolarHBondContact CG-O 3.5Å; R806-S808 PolarHBondContact NE-O 2.91Å; R806-K809 PolarHBondContact NE-O 3.39Å; R806-K809 PolarHBondContact NH2-O 2.88Å; R806-L812 HydrophobicContact CB-CG 4.44Å; R806-L812 HydrophobicContact CG-CD1 4.17Å |
| 807 | K | 92.8 | Very high | 94.3 | Very high | 165 Ų | 165 | 81.1 Ų | 81.1 | 72% | 0.717 | 43% | 0.426 | S | S | * | . | | | trans | -87.9 | -35.6 | 178.4 | 178.3 | 178.3 | 174.6 | -175.9 | 0 | 112.6 | I805 I811 F813 | I805-K807 PolarHBondContact O-N 2.69Å; K807-I811 PolarHBondContact N-O 2.98Å; K807-F813 HydrophobicContact CB-CD2 4.23Å; K807-F813 HydrophobicContact CB-CE2 3.76Å; K807-F813 HydrophobicContact CD-CE2 3.77Å; K807-F813 HydrophobicContact CD-CZ 4.29Å; K807-F813 HydrophobicContact CG-CE2 4.37Å |
| 808 | S | 90.7 | Very high | 94.3 | Very high | 56 Ų | 56 | 79.3 Ų | 79.3 | 39% | 0.392 | 42% | 0.415 | S | S | . | . | S | Bend | trans | -133.4 | -175.6 | 175.9 | 81.9 | 0 | 0 | 0 | 0 | 110.4 | R806 N810 I811 | R806-S808 WeakPolarHBondContact CG-O 3.5Å; R806-S808 PolarHBondContact NE-O 2.91Å; S808-N810 PolarHBondContact O-N 3.39Å; S808-N810 PolarHBondContact OG-N 3.22Å; S808-I811 PolarHBondContact N-O 3.41Å; S808-I811 WeakPolarHBondContact OG-CB 3.34Å; S808-I811 WeakPolarHBondContact OG-CG1 3.44Å; S808-I811 PolarHBondContact OG-N 2.72Å; S808-I811 VanDerWaalsContact OG-N 3.08Å |
| 809 | K | 88.4 | Confident | 94.3 | Very high | 165 Ų | 165 | 75.5 Ų | 75.5 | 72% | 0.717 | 39% | 0.39 | S | S | * | . | S | Bend | trans | -57 | -36.4 | 176.2 | -72.1 | -177 | 179.5 | 176.5 | 0 | 112 | R806 | R806-K809 PolarHBondContact NE-O 3.39Å; R806-K809 PolarHBondContact NH2-O 2.88Å |
| 810 | N | 87.9 | Confident | 94.3 | Very high | 70 Ų | 70 | 72.1 Ų | 72.1 | 37% | 0.374 | 35% | 0.354 | S | S | . | . | S | Bend | trans | -115.2 | -25 | -169.8 | -52.6 | 3 | 0 | 0 | 0 | 113.1 | S808 L840 S841 | S808-N810 PolarHBondContact O-N 3.39Å; S808-N810 PolarHBondContact OG-N 3.22Å; N810-L840 PolarHBondContact O-N 3.37Å; N810-S841 VanDerWaalsContact CB-OG 3.25Å; N810-S841 WeakPolarHBondContact CB-OG 3.12Å; N810-S841 PolarHBondContact ND2-OG 2.93Å |
| 811 | I | 93.4 | Very high | 94.4 | Very high | 45 Ų | 45 | 70.2 Ų | 70.2 | 23% | 0.231 | 34% | 0.343 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.6 | 118.2 | -177.4 | -53.2 | -60.4 | 0 | 0 | 0 | 111.5 | K807 S808 I837 D839 | K807-I811 PolarHBondContact N-O 2.98Å; S808-I811 PolarHBondContact N-O 3.41Å; S808-I811 WeakPolarHBondContact OG-CB 3.34Å; S808-I811 WeakPolarHBondContact OG-CG1 3.44Å; S808-I811 PolarHBondContact OG-N 2.72Å; S808-I811 VanDerWaalsContact OG-N 3.08Å; I811-I837 HydrophobicContact CG2-CG2 3.87Å; I811-D839 HydrophobicContact CD1-CB 3.6Å; I811-D839 WeakPolarHBondContact CD1-OD2 3.3Å |
| 812 | L | 94.3 | Very high | 94.5 | Very high | 28 Ų | 28 | 67.9 Ų | 67.9 | 15% | 0.147 | 32% | 0.323 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.9 | 135.7 | 174.7 | -78.8 | 64.9 | 0 | 0 | 0 | 109.9 | R806 V814 E838 L840 | R806-L812 HydrophobicContact CB-CG 4.44Å; R806-L812 HydrophobicContact CG-CD1 4.17Å; L812-V814 HydrophobicContact CB-CG2 4.36Å; L812-E838 HydrophobicContact CB-CB 4.43Å; L812-E838 PolarHBondContact N-O 2.86Å; L812-E838 PolarHBondContact O-N 3.46Å; L812-L840 HydrophobicContact CD1-CD1 3.71Å; L812-L840 HydrophobicContact CD1-CG 4.21Å |
| 813 | F | 95.1 | Very high | 94.5 | Very high | 59 Ų | 59 | 62.1 Ų | 62.1 | 26% | 0.259 | 30% | 0.304 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.1 | 112.2 | 162.3 | -63.8 | -88.6 | 0 | 0 | 0 | 108.7 | T804 I805 K807 K836 I837 | T804-F813 CarbonylContact C-O 3.42Å; T804-F813 WeakPolarHBondContact CA-O 3.21Å; I805-F813 HydrophobicContact CB-CB 4.28Å; I805-F813 PolarHBondContact N-O 3.29Å; I805-F813 PolarHBondContact O-N 2.84Å; K807-F813 HydrophobicContact CB-CD2 4.23Å; K807-F813 HydrophobicContact CB-CE2 3.76Å; K807-F813 HydrophobicContact CD-CE2 3.77Å; K807-F813 HydrophobicContact CD-CZ 4.29Å; K807-F813 HydrophobicContact CG-CE2 4.37Å; F813-K836 CarbonylContact C-O 3.54Å; F813-K836 WeakPolarHBondContact CA-O 3.19Å; F813-I837 HydrophobicContact CD1-CG1 3.96Å; F813-I837 HydrophobicContact CE1-CD1 3.93Å; F813-I837 HydrophobicContact CE1-CG1 3.74Å |
| 814 | V | 95.7 | Very high | 94.5 | Very high | 6 Ų | 6 | 65 Ų | 65 | 4% | 0.036 | 32% | 0.323 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.5 | 121.2 | -178.7 | 178.3 | 0 | 0 | 0 | 0 | 109.5 | R802 T804 L812 T816 K836 E838 | R802-V814 HydrophobicContact CG-CG1 4.36Å; T804-V814 HydrophobicContact CG2-CG2 4.15Å; L812-V814 HydrophobicContact CB-CG2 4.36Å; V814-T816 HydrophobicContact CG1-CG2 4.15Å; V814-K836 PolarHBondContact N-O 2.93Å; V814-K836 PolarHBondContact O-N 3.43Å; V814-E838 HydrophobicContact CG2-CB 3.7Å; V814-E838 HydrophobicContact CG2-CG 4.42Å |
| 815 | I | 96.1 | Very high | 94.4 | Very high | 11 Ų | 11 | 66 Ų | 66 | 6% | 0.056 | 34% | 0.34 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.2 | 114.9 | 170.3 | -52.9 | 167.5 | 0 | 0 | 0 | 107.9 | R802 V803 P818 V831 A835 | R802-I815 WeakPolarHBondContact CA-O 3.26Å; V803-I815 HydrophobicContact CB-CB 4.42Å; V803-I815 PolarHBondContact N-O 3.31Å; V803-I815 PolarHBondContact O-N 3.48Å; I815-P818 HydrophobicContact CB-CB 4.45Å; I815-P818 HydrophobicContact CG2-CB 3.75Å; I815-V831 HydrophobicContact CD1-CB 4.47Å; I815-V831 HydrophobicContact CD1-CG1 3.64Å; I815-A835 HydrophobicContact CD1-CB 4.29Å; I815-A835 HydrophobicContact CG1-CB 3.82Å |
| 816 | T | 95.9 | Very high | 94.5 | Very high | 77 Ų | 77 | 64 Ų | 64 | 47% | 0.472 | 33% | 0.334 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.6 | 137.8 | 178.4 | 47.5 | 0 | 0 | 0 | 0 | 111.4 | V814 P818 | V814-T816 HydrophobicContact CG1-CG2 4.15Å; T816-P818 VanDerWaalsContact C-CD 3.48Å |
| 817 | K | 93.6 | Very high | 94.5 | Very high | 111 Ų | 111 | 61.8 Ų | 61.8 | 48% | 0.483 | 34% | 0.335 | S | S | . | . | S | Bend | trans | 46.5 | 51.6 | -174.2 | -54.7 | -165.9 | -175.4 | -169.1 | 0 | 113.6 | E770 T801 | E770-K817 IonicContact OE2-NZ 3.54Å; E770-K817 PolarHBondContact OE2-NZ 3.49Å; T801-K817 WeakPolarHBondContact O-CA 3.47Å; T801-K817 PolarHBondContact O-N 2.86Å |
| 818 | P | 96.2 | Very high | 94.7 | Very high | 13 Ų | 13 | 57.8 Ų | 57.8 | 8% | 0.084 | 32% | 0.324 | C | S | . | . | | | trans | -71 | 152.1 | -178 | 29.7 | -35.3 | 0 | 0 | 0 | 114.1 | V800 T801 V803 I815 T816 V820 V831 F832 | V800-P818 HydrophobicContact CB-CG 4.5Å; V800-P818 HydrophobicContact CG1-CG 3.98Å; V800-P818 WeakPolarHBondContact O-CD 3.22Å; V800-P818 WeakPolarHBondContact O-CG 3.17Å; T801-P818 WeakPolarHBondContact O-CD 3.41Å; V803-P818 HydrophobicContact CB-CG 4.28Å; V803-P818 HydrophobicContact CG2-CB 4.41Å; V803-P818 HydrophobicContact CG2-CG 3.86Å; I815-P818 HydrophobicContact CB-CB 4.45Å; I815-P818 HydrophobicContact CG2-CB 3.75Å; T816-P818 VanDerWaalsContact C-CD 3.48Å; P818-V820 HydrophobicContact CB-CG2 4.11Å; P818-V820 HydrophobicContact CG-CG2 4.25Å; P818-V831 HydrophobicContact CB-CG1 3.82Å; P818-F832 WeakPolarHBondContact CA-O 3.38Å |
| 819 | D | 95.3 | Very high | 95 | Very high | 44 Ų | 44 | 60.9 Ų | 60.9 | 24% | 0.235 | 33% | 0.328 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.4 | 105.4 | 170.1 | -128 | -23.2 | 0 | 0 | 0 | 109.6 | R786 Q796 F832 | R786-D819 VanDerWaalsContact CD-OD2 3.29Å; R786-D819 WeakPolarHBondContact CD-OD2 3.19Å; R786-D819 IonicContact CZ-OD2 2.65Å; R786-D819 IonicContact NE-OD2 2.64Å; R786-D819 PolarHBondContact NE-OD2 3.5Å; R786-D819 IonicContact NH1-OD2 3.64Å; R786-D819 PolarHBondContact NH1-OD2 3.31Å; Q796-D819 PolarHBondContact NE2-OD1 2.61Å; D819-F832 HydrophobicContact CB-CB 4.16Å; D819-F832 PolarHBondContact N-O 3.34Å; D819-F832 PolarHBondContact O-N 3.49Å |
| 820 | V | 96.3 | Very high | 95.3 | Very high | 5 Ų | 5 | 55.6 Ų | 55.6 | 3% | 0.03 | 31% | 0.307 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106 | 137.5 | -170.3 | -177.2 | 0 | 0 | 0 | 0 | 111.9 | Q796 V797 V800 V803 P818 Y829 I830 V831 | Q796-V820 CarbonylContact C-O 3.55Å; Q796-V820 WeakPolarHBondContact CA-O 3.47Å; V797-V820 HydrophobicContact CB-CB 4.28Å; V797-V820 HydrophobicContact CB-CG1 4.23Å; V797-V820 HydrophobicContact CG2-CG1 4.26Å; V797-V820 PolarHBondContact N-O 2.93Å; V800-V820 HydrophobicContact CB-CG2 4.07Å; V800-V820 HydrophobicContact CG1-CG2 3.99Å; V800-V820 HydrophobicContact CG2-CB 4.3Å; V800-V820 HydrophobicContact CG2-CG2 4.21Å; V803-V820 HydrophobicContact CG2-CG2 4.21Å; P818-V820 HydrophobicContact CB-CG2 4.11Å; P818-V820 HydrophobicContact CG-CG2 4.25Å; V820-Y829 HydrophobicContact CG1-CD1 4.13Å; V820-I830 WeakPolarHBondContact CA-O 3.39Å; V820-V831 HydrophobicContact CG1-CG2 4.4Å; V820-V831 HydrophobicContact CG2-CG1 4.2Å; V820-V831 HydrophobicContact CG2-CG2 4.19Å |
| 821 | Y | 97.1 | Very high | 95.7 | Very high | 5 Ų | 5 | 54.4 Ų | 54.4 | 2% | 0.02 | 30% | 0.303 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.9 | 134 | 174.3 | -69.9 | -97.2 | 0 | 0 | 0 | 110.2 | R786 M789 L794 R795 Q796 Y829 I830 F832 | R786-Y821 WeakPolarHBondContact CD-OH 3.49Å; R786-Y821 HydrophobicContact CG-CE2 3.68Å; R786-Y821 WeakPolarHBondContact CG-OH 3.31Å; M789-Y821 HydrophobicContact CB-CD1 4.14Å; M789-Y821 HydrophobicContact CB-CG 4.23Å; L794-Y821 HydrophobicContact CB-CD1 4.49Å; R795-Y821 CarbonylContact O-C 3.53Å; R795-Y821 WeakPolarHBondContact O-CA 3.44Å; Q796-Y821 HydrophobicContact CB-CD1 4.01Å; Q796-Y821 HydrophobicContact CB-CE1 3.56Å; Q796-Y821 HydrophobicContact CG-CD1 4.47Å; Q796-Y821 HydrophobicContact CG-CE1 3.87Å; Q796-Y821 HydrophobicContact CG-CE2 4.14Å; Q796-Y821 PolarHBondContact OE1-OH 3.28Å; Y821-Y829 CarbonylContact O-C 3.57Å; Y821-Y829 WeakPolarHBondContact O-CA 3.26Å; Y821-I830 PolarHBondContact N-O 2.89Å; Y821-I830 PolarHBondContact O-N 2.86Å; Y821-F832 AromaticContact CD2-CD2 3.88Å; Y821-F832 HydrophobicContact CD2-CD2 3.88Å; Y821-F832 AromaticContact CD2-CE2 3.79Å; Y821-F832 HydrophobicContact CD2-CE2 3.79Å; Y821-F832 HydrophobicContact CE2-CD2 4.04Å; Y821-F832 HydrophobicContact CE2-CE2 4.08Å |
| 822 | K | 97.5 | Very high | 95.8 | Very high | 58 Ų | 58 | 53.8 Ų | 53.8 | 25% | 0.252 | 30% | 0.298 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -111 | 139.9 | 174.3 | -164.2 | -168.5 | 177.4 | 169.9 | 0 | 110.9 | R795 V797 D827 T828 Y829 | R795-K822 PolarHBondContact N-O 2.97Å; R795-K822 PolarHBondContact O-N 3.34Å; V797-K822 HydrophobicContact CG2-CB 3.76Å; K822-D827 WeakPolarHBondContact CE-OD1 3.06Å; K822-D827 IonicContact NZ-OD1 3.22Å; K822-D827 PolarHBondContact NZ-OD1 2.74Å; K822-T828 WeakPolarHBondContact CA-O 3.21Å; K822-Y829 HydrophobicContact CB-CD1 3.97Å; K822-Y829 HydrophobicContact CB-CE1 3.94Å; K822-Y829 HydrophobicContact CD-CD1 4.4Å; K822-Y829 HydrophobicContact CD-CE1 3.59Å; K822-Y829 VanDerWaalsContact CE-OH 3.25Å; K822-Y829 WeakPolarHBondContact CE-OH 3.35Å; K822-Y829 HydrophobicContact CG-CD1 3.85Å; K822-Y829 HydrophobicContact CG-CE1 3.54Å; K822-Y829 HydrophobicContact CG-CE2 4.45Å; K822-Y829 HydrophobicContact CG-CG 4.43Å; K822-Y829 PolarHBondContact NZ-OH 2.97Å; K822-Y829 VanDerWaalsContact NZ-OH 3.09Å |
| 823 | S | 97.1 | Very high | 95.8 | Very high | 19 Ų | 19 | 54.6 Ų | 54.6 | 13% | 0.133 | 31% | 0.313 | C | S | . | . | | | trans | -63.3 | 134 | 164.2 | 171 | 0 | 0 | 0 | 0 | 111.3 | A825 S826 T828 | S823-A825 PolarHBondContact O-N 2.63Å; S823-A825 PolarHBondContact OG-N 3.3Å; S823-A825 VanDerWaalsContact OG-N 3.13Å; S823-S826 WeakPolarHBondContact CB-O 3.31Å; S823-S826 WeakPolarHBondContact CB-OG 3.48Å; S823-S826 PolarHBondContact OG-N 2.98Å; S823-S826 VanDerWaalsContact OG-N 3.11Å; S823-S826 PolarHBondContact OG-OG 2.91Å; S823-T828 PolarHBondContact N-O 3.38Å |
| 824 | P | 95.6 | Very high | 95.7 | Very high | 89 Ų | 89 | 57.8 Ų | 57.8 | 58% | 0.578 | 33% | 0.329 | S | S | * | . | S | Bend | trans | -74.5 | -11.5 | 171.3 | 32.1 | -35.5 | 0 | 0 | 0 | 112.8 | | |
| 825 | A | 94.9 | Very high | 95.6 | Very high | 97 Ų | 97 | 60.2 Ų | 60.2 | 80% | 0.802 | 35% | 0.35 | S | S | * | . | S | Bend | trans | -110 | -6.1 | -176.1 | 0 | 0 | 0 | 0 | 0 | 113.8 | S823 | S823-A825 PolarHBondContact O-N 2.63Å; S823-A825 PolarHBondContact OG-N 3.3Å; S823-A825 VanDerWaalsContact OG-N 3.13Å |
| 826 | S | 95.8 | Very high | 95.5 | Very high | 49 Ų | 49 | 65.9 Ų | 65.9 | 34% | 0.343 | 37% | 0.374 | S | S | . | . | S | Bend | trans | -157 | 157.3 | -177.7 | 59.3 | 0 | 0 | 0 | 0 | 111.5 | S823 T828 | S823-S826 WeakPolarHBondContact CB-O 3.31Å; S823-S826 WeakPolarHBondContact CB-OG 3.48Å; S823-S826 PolarHBondContact OG-N 2.98Å; S823-S826 VanDerWaalsContact OG-N 3.11Å; S823-S826 PolarHBondContact OG-OG 2.91Å; S826-T828 PolarHBondContact O-N 3.06Å; S826-T828 WeakPolarHBondContact OG-CB 3.42Å; S826-T828 PolarHBondContact OG-OG1 3.35Å |
| 827 | D | 95.5 | Very high | 95.4 | Very high | 125 Ų | 125 | 67.9 Ų | 67.9 | 67% | 0.668 | 38% | 0.381 | S | S | * | . | S | Bend | trans | -76.1 | 37.4 | 171.3 | -72.4 | -69.7 | 0 | 0 | 0 | 113.3 | K822 Y829 | K822-D827 WeakPolarHBondContact CE-OD1 3.06Å; K822-D827 IonicContact NZ-OD1 3.22Å; K822-D827 PolarHBondContact NZ-OD1 2.74Å; D827-Y829 HydrophobicContact CB-CE2 4.35Å; D827-Y829 VanDerWaalsContact O-CD2 3.29Å; D827-Y829 WeakPolarHBondContact O-CD2 3.31Å; D827-Y829 WeakPolarHBondContact O-CE2 3.5Å |
| 828 | T | 96.7 | Very high | 95.3 | Very high | 81 Ų | 81 | 65.4 Ų | 65.4 | 50% | 0.497 | 37% | 0.371 | S | S | . | . | | | trans | -88.9 | 122 | 174.5 | -45.9 | 0 | 0 | 0 | 0 | 109.5 | K822 S823 S826 | K822-T828 WeakPolarHBondContact CA-O 3.21Å; S823-T828 PolarHBondContact N-O 3.38Å; S826-T828 PolarHBondContact O-N 3.06Å; S826-T828 WeakPolarHBondContact OG-CB 3.42Å; S826-T828 PolarHBondContact OG-OG1 3.35Å |
| 829 | Y | 96.4 | Very high | 95.1 | Very high | 122 Ų | 122 | 66.2 Ų | 66.2 | 48% | 0.478 | 37% | 0.374 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.1 | 132.2 | 176.6 | -60.6 | -96.6 | 0 | 0 | 0 | 110 | V820 Y821 K822 D827 | V820-Y829 HydrophobicContact CG1-CD1 4.13Å; Y821-Y829 CarbonylContact O-C 3.57Å; Y821-Y829 WeakPolarHBondContact O-CA 3.26Å; K822-Y829 HydrophobicContact CB-CD1 3.97Å; K822-Y829 HydrophobicContact CB-CE1 3.94Å; K822-Y829 HydrophobicContact CD-CD1 4.4Å; K822-Y829 HydrophobicContact CD-CE1 3.59Å; K822-Y829 VanDerWaalsContact CE-OH 3.25Å; K822-Y829 WeakPolarHBondContact CE-OH 3.35Å; K822-Y829 HydrophobicContact CG-CD1 3.85Å; K822-Y829 HydrophobicContact CG-CE1 3.54Å; K822-Y829 HydrophobicContact CG-CE2 4.45Å; K822-Y829 HydrophobicContact CG-CG 4.43Å; K822-Y829 PolarHBondContact NZ-OH 2.97Å; K822-Y829 VanDerWaalsContact NZ-OH 3.09Å; D827-Y829 HydrophobicContact CB-CE2 4.35Å; D827-Y829 VanDerWaalsContact O-CD2 3.29Å; D827-Y829 WeakPolarHBondContact O-CD2 3.31Å; D827-Y829 WeakPolarHBondContact O-CE2 3.5Å |
| 830 | I | 95.7 | Very high | 94.8 | Very high | 54 Ų | 54 | 67.6 Ų | 67.6 | 28% | 0.277 | 38% | 0.381 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.8 | 119.4 | 171.5 | -56.2 | -177.7 | 0 | 0 | 0 | 107 | M789 L794 V820 Y821 F832 | M789-I830 HydrophobicContact CE-CD1 3.77Å; M789-I830 HydrophobicContact CE-CG2 4.48Å; M789-I830 HydrophobicContact CG-CD1 4.28Å; M789-I830 HydrophobicContact SD-CD1 3.66Å; L794-I830 HydrophobicContact CD1-CD1 3.57Å; V820-I830 WeakPolarHBondContact CA-O 3.39Å; Y821-I830 PolarHBondContact N-O 2.89Å; Y821-I830 PolarHBondContact O-N 2.86Å; I830-F832 HydrophobicContact CG2-CD2 4.44Å; I830-F832 HydrophobicContact CG2-CE2 3.92Å; I830-F832 HydrophobicContact CG2-CZ 4.09Å |
| 831 | V | 96.3 | Very high | 94.4 | Very high | 45 Ų | 45 | 69 Ų | 69 | 27% | 0.273 | 39% | 0.391 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.9 | 117.8 | -176.9 | -176.5 | 0 | 0 | 0 | 0 | 108.6 | V803 I815 P818 V820 | V803-V831 HydrophobicContact CB-CG1 4.34Å; V803-V831 HydrophobicContact CG1-CG1 4.38Å; V803-V831 HydrophobicContact CG1-CG2 4.47Å; V803-V831 HydrophobicContact CG2-CG1 4.22Å; V803-V831 HydrophobicContact CG2-CG2 4.46Å; I815-V831 HydrophobicContact CD1-CB 4.47Å; I815-V831 HydrophobicContact CD1-CG1 3.64Å; P818-V831 HydrophobicContact CB-CG1 3.82Å; V820-V831 HydrophobicContact CG1-CG2 4.4Å; V820-V831 HydrophobicContact CG2-CG1 4.2Å; V820-V831 HydrophobicContact CG2-CG2 4.19Å |
| 832 | F | 95.3 | Very high | 93.9 | Very high | 31 Ų | 31 | 74 Ų | 74 | 14% | 0.136 | 42% | 0.415 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.1 | 135.6 | 169.1 | -62.8 | -84.8 | 0 | 0 | 0 | 110.3 | E782 A785 M789 P818 D819 Y821 I830 | E782-F832 HydrophobicContact CG-CD1 4.23Å; A785-F832 HydrophobicContact CB-CE1 3.77Å; A785-F832 HydrophobicContact CB-CZ 3.94Å; M789-F832 HydrophobicContact CE-CZ 4.36Å; M789-F832 HydrophobicContact CG-CE2 4.02Å; M789-F832 HydrophobicContact CG-CZ 3.91Å; P818-F832 WeakPolarHBondContact CA-O 3.38Å; D819-F832 HydrophobicContact CB-CB 4.16Å; D819-F832 PolarHBondContact N-O 3.34Å; D819-F832 PolarHBondContact O-N 3.49Å; Y821-F832 AromaticContact CD2-CD2 3.88Å; Y821-F832 HydrophobicContact CD2-CD2 3.88Å; Y821-F832 AromaticContact CD2-CE2 3.79Å; Y821-F832 HydrophobicContact CD2-CE2 3.79Å; Y821-F832 HydrophobicContact CE2-CD2 4.04Å; Y821-F832 HydrophobicContact CE2-CE2 4.08Å; I830-F832 HydrophobicContact CG2-CD2 4.44Å; I830-F832 HydrophobicContact CG2-CE2 3.92Å; I830-F832 HydrophobicContact CG2-CZ 4.09Å |
| 833 | G | 93.9 | Very high | 93.5 | Very high | 45 Ų | 45 | 76 Ų | 76 | 46% | 0.464 | 43% | 0.425 | S | S | . | . | S | Bend | trans | 152.6 | 169.7 | 176 | 0 | 0 | 0 | 0 | 0 | 111.1 | | |
| 834 | E | 91.9 | Very high | 93 | Very high | 127 Ų | 127 | 78.1 Ų | 78.1 | 59% | 0.593 | 44% | 0.444 | S | S | * | . | | | trans | -81.8 | 123.1 | 178.8 | -66.1 | 176.1 | -178.7 | 0 | 0 | 110.4 | A776 | A776-E834 VanDerWaalsContact CB-OE1 3.3Å; A776-E834 WeakPolarHBondContact CB-OE1 3.2Å |
| 835 | A | 94.1 | Very high | 92.7 | Very high | 57 Ų | 57 | 80.2 Ų | 80.2 | 47% | 0.471 | 45% | 0.446 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -92 | 106.9 | 179 | 0 | 0 | 0 | 0 | 0 | 110.8 | I815 | I815-A835 HydrophobicContact CD1-CB 4.29Å; I815-A835 HydrophobicContact CG1-CB 3.82Å |
| 836 | K | 94.1 | Very high | 92.4 | Very high | 130 Ų | 130 | 81.6 Ų | 81.6 | 57% | 0.565 | 44% | 0.439 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -83.4 | 141.8 | 171 | -60.8 | -174.7 | 179.2 | -176.3 | 0 | 109.5 | F813 V814 | F813-K836 CarbonylContact C-O 3.54Å; F813-K836 WeakPolarHBondContact CA-O 3.19Å; V814-K836 PolarHBondContact N-O 2.93Å; V814-K836 PolarHBondContact O-N 3.43Å |
| 837 | I | 93.9 | Very high | 92 | Very high | 119 Ų | 119 | 80.8 Ų | 80.8 | 61% | 0.61 | 44% | 0.435 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -91.1 | 121.5 | 174.8 | -53.1 | -177.8 | 0 | 0 | 0 | 107.7 | I811 F813 | I811-I837 HydrophobicContact CG2-CG2 3.87Å; F813-I837 HydrophobicContact CD1-CG1 3.96Å; F813-I837 HydrophobicContact CE1-CD1 3.93Å; F813-I837 HydrophobicContact CE1-CG1 3.74Å |
| 838 | E | 92.1 | Very high | 91.7 | Very high | 59 Ų | 59 | 77.6 Ų | 77.6 | 28% | 0.276 | 43% | 0.426 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.7 | 119.4 | 176.6 | -173 | 111.7 | -135.4 | 0 | 0 | 108.4 | R802 L812 V814 Q843 | R802-E838 IonicContact NH2-OE2 2.95Å; L812-E838 HydrophobicContact CB-CB 4.43Å; L812-E838 PolarHBondContact N-O 2.86Å; L812-E838 PolarHBondContact O-N 3.46Å; V814-E838 HydrophobicContact CG2-CB 3.7Å; V814-E838 HydrophobicContact CG2-CG 4.42Å; E838-Q843 PolarHBondContact OE1-NE2 3.07Å |
| 839 | D | 92.5 | Very high | 91 | Very high | 29 Ų | 29 | 76.5 Ų | 76.5 | 16% | 0.155 | 43% | 0.426 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.6 | 107.7 | 174.2 | -173 | -6.3 | 0 | 0 | 0 | 110.2 | I811 S841 Q842 Q843 | I811-D839 HydrophobicContact CD1-CB 3.6Å; I811-D839 WeakPolarHBondContact CD1-OD2 3.3Å; D839-S841 PolarHBondContact O-N 2.7Å; D839-S841 VanDerWaalsContact OD1-CB 3.26Å; D839-S841 WeakPolarHBondContact OD1-CB 3.5Å; D839-S841 PolarHBondContact OD1-N 3.45Å; D839-S841 PolarHBondContact OD1-OG 2.88Å; D839-Q842 HydrophobicContact CB-CB 4.22Å; D839-Q842 HydrophobicContact CB-CG 4.09Å; D839-Q842 PolarHBondContact O-N 2.92Å; D839-Q842 PolarHBondContact OD2-NE2 3.41Å; D839-Q843 PolarHBondContact O-N 2.89Å; D839-Q843 VanDerWaalsContact O-N 3.07Å |
| 840 | L | 89 | Confident | 90.5 | Very high | 73 Ų | 73 | 76.9 Ų | 76.9 | 38% | 0.382 | 43% | 0.432 | S | S | . | . | H | α-helix | trans | -61.7 | -21.3 | 177.8 | -63.4 | 172.5 | 0 | 0 | 0 | 112.8 | N810 L812 A844 | N810-L840 PolarHBondContact O-N 3.37Å; L812-L840 HydrophobicContact CD1-CD1 3.71Å; L812-L840 HydrophobicContact CD1-CG 4.21Å; L840-A844 VanDerWaalsContact O-CB 3.23Å; L840-A844 WeakPolarHBondContact O-CB 3.47Å; L840-A844 PolarHBondContact O-N 3.46Å; L840-A844 VanDerWaalsContact O-N 3.13Å |
| 841 | S | 86.8 | Confident | 89.8 | Confident | 35 Ų | 35 | 81.2 Ų | 81.2 | 25% | 0.245 | 45% | 0.449 | C | S | . | . | H | α-helix | trans | -69.6 | -51 | 174 | -21 | 0 | 0 | 0 | 0 | 111.1 | N810 D839 A844 Q845 | N810-S841 VanDerWaalsContact CB-OG 3.25Å; N810-S841 WeakPolarHBondContact CB-OG 3.12Å; N810-S841 PolarHBondContact ND2-OG 2.93Å; D839-S841 PolarHBondContact O-N 2.7Å; D839-S841 VanDerWaalsContact OD1-CB 3.26Å; D839-S841 WeakPolarHBondContact OD1-CB 3.5Å; D839-S841 PolarHBondContact OD1-N 3.45Å; D839-S841 PolarHBondContact OD1-OG 2.88Å; S841-A844 PolarHBondContact O-N 2.92Å; S841-Q845 WeakPolarHBondContact O-CG 3.21Å; S841-Q845 PolarHBondContact O-N 2.97Å |
| 842 | Q | 87.9 | Confident | 88.9 | Confident | 111 Ų | 111 | 87.1 Ų | 87.1 | 52% | 0.519 | 47% | 0.471 | S | S | . | . | H | α-helix | trans | -66.5 | -42.6 | -177.6 | -66.6 | 172.4 | 47.6 | 0 | 0 | 110.3 | D839 A844 Q845 L846 | D839-Q842 HydrophobicContact CB-CB 4.22Å; D839-Q842 HydrophobicContact CB-CG 4.09Å; D839-Q842 PolarHBondContact O-N 2.92Å; D839-Q842 PolarHBondContact OD2-NE2 3.41Å; Q842-A844 VanDerWaalsContact C-N 3.32Å; Q842-A844 PolarHBondContact O-N 3.37Å; Q842-Q845 PolarHBondContact O-N 3.4Å; Q842-L846 WeakPolarHBondContact O-CB 3.23Å; Q842-L846 WeakPolarHBondContact O-CG 3.43Å; Q842-L846 PolarHBondContact O-N 3.48Å |
| 843 | Q | 87.3 | Confident | 87.8 | Confident | 99 Ų | 99 | 93.9 Ų | 93.9 | 46% | 0.463 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -60.5 | -39.9 | 173.9 | -174.7 | 172.1 | 74 | 0 | 0 | 112.2 | E838 D839 A847 | E838-Q843 PolarHBondContact OE1-NE2 3.07Å; D839-Q843 PolarHBondContact O-N 2.89Å; D839-Q843 VanDerWaalsContact O-N 3.07Å; Q843-A847 WeakPolarHBondContact O-CB 3.34Å; Q843-A847 PolarHBondContact O-N 2.97Å |
| 844 | A | 87.5 | Confident | 86.3 | Confident | 63 Ų | 63 | 96.4 Ų | 96.4 | 52% | 0.521 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -68.1 | -36.6 | 175.7 | 0 | 0 | 0 | 0 | 0 | 113 | L840 S841 Q842 A848 | L840-A844 VanDerWaalsContact O-CB 3.23Å; L840-A844 WeakPolarHBondContact O-CB 3.47Å; L840-A844 PolarHBondContact O-N 3.46Å; L840-A844 VanDerWaalsContact O-N 3.13Å; S841-A844 PolarHBondContact O-N 2.92Å; Q842-A844 VanDerWaalsContact C-N 3.32Å; Q842-A844 PolarHBondContact O-N 3.37Å; A844-A848 VanDerWaalsContact O-CB 3.31Å; A844-A848 WeakPolarHBondContact O-CB 3.41Å; A844-A848 PolarHBondContact O-N 2.98Å |
| 845 | Q | 89.3 | Confident | 84.5 | Confident | 133 Ų | 133 | 98 Ų | 98 | 62% | 0.621 | 51% | 0.514 | S | S | * | . | H | α-helix | trans | -67.5 | -47.5 | 175.6 | -74.1 | 169.1 | -26.6 | 0 | 0 | 111.7 | S841 Q842 A848 A849 | S841-Q845 WeakPolarHBondContact O-CG 3.21Å; S841-Q845 PolarHBondContact O-N 2.97Å; Q842-Q845 PolarHBondContact O-N 3.4Å; Q845-A848 WeakPolarHBondContact O-CB 3.44Å; Q845-A848 PolarHBondContact O-N 3.02Å; Q845-A848 VanDerWaalsContact O-N 3.16Å; Q845-A849 PolarHBondContact O-N 3.16Å |
| 846 | L | 87.8 | Confident | 82.5 | Confident | 126 Ų | 126 | 97.7 Ų | 97.7 | 66% | 0.66 | 52% | 0.516 | S | S | * | . | H | α-helix | trans | -61.2 | -45.6 | 176.2 | -68.9 | 170.7 | 0 | 0 | 0 | 111.5 | Q842 A848 A849 E850 | Q842-L846 WeakPolarHBondContact O-CB 3.23Å; Q842-L846 WeakPolarHBondContact O-CG 3.43Å; Q842-L846 PolarHBondContact O-N 3.48Å; L846-A848 PolarHBondContact O-N 3.31Å; L846-A849 PolarHBondContact O-N 2.98Å; L846-E850 WeakPolarHBondContact O-CB 3.39Å; L846-E850 PolarHBondContact O-N 3.22Å |
| 847 | A | 88.7 | Confident | 80.2 | Confident | 32 Ų | 32 | 99.4 Ų | 99.4 | 26% | 0.264 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -69.1 | -18.8 | 176.9 | 0 | 0 | 0 | 0 | 0 | 113.8 | Q843 K851 | Q843-A847 WeakPolarHBondContact O-CB 3.34Å; Q843-A847 PolarHBondContact O-N 2.97Å; A847-K851 WeakPolarHBondContact O-CD 3.34Å; A847-K851 WeakPolarHBondContact O-CE 3.45Å; A847-K851 WeakPolarHBondContact O-CG 3.49Å |
| 848 | A | 88.4 | Confident | 78 | Confident | 58 Ų | 58 | 97.8 Ų | 97.8 | 48% | 0.479 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -80.9 | -42.4 | 169.8 | 0 | 0 | 0 | 0 | 0 | 111.3 | A844 Q845 L846 K851 F852 | A844-A848 VanDerWaalsContact O-CB 3.31Å; A844-A848 WeakPolarHBondContact O-CB 3.41Å; A844-A848 PolarHBondContact O-N 2.98Å; Q845-A848 WeakPolarHBondContact O-CB 3.44Å; Q845-A848 PolarHBondContact O-N 3.02Å; Q845-A848 VanDerWaalsContact O-N 3.16Å; L846-A848 PolarHBondContact O-N 3.31Å; A848-K851 PolarHBondContact O-N 2.9Å; A848-F852 PolarHBondContact O-N 2.76Å |
| 849 | A | 83.1 | Confident | 75.9 | Confident | 59 Ų | 59 | 101.4 Ų | 101.4 | 49% | 0.488 | 56% | 0.556 | S | S | . | * | H | α-helix | trans | -62.5 | -42.1 | 175.6 | 0 | 0 | 0 | 0 | 0 | 112.1 | Q845 L846 K851 F852 K853 | Q845-A849 PolarHBondContact O-N 3.16Å; L846-A849 PolarHBondContact O-N 2.98Å; A849-K851 PolarHBondContact O-N 3.42Å; A849-F852 PolarHBondContact O-N 3.25Å; A849-K853 WeakPolarHBondContact O-CB 3.47Å; A849-K853 PolarHBondContact O-N 3.42Å |
| 850 | E | 85.1 | Confident | 73.4 | Confident | 129 Ų | 129 | 104.6 Ų | 104.6 | 60% | 0.603 | 58% | 0.581 | S | S | * | * | H | α-helix | trans | -58.7 | -47 | 173.7 | -174.2 | -176.5 | -168.9 | 0 | 0 | 111.6 | L846 F852 K853 V854 | L846-E850 WeakPolarHBondContact O-CB 3.39Å; L846-E850 PolarHBondContact O-N 3.22Å; E850-F852 VanDerWaalsContact C-N 3.31Å; E850-F852 PolarHBondContact O-N 2.9Å; E850-K853 PolarHBondContact O-N 2.97Å; E850-V854 WeakPolarHBondContact O-CG2 3.41Å; E850-V854 PolarHBondContact O-N 2.96Å |
| 851 | K | 81.8 | Confident | 71.3 | Confident | 146 Ų | 146 | 108.2 Ų | 108.2 | 64% | 0.635 | 60% | 0.601 | S | S | * | * | H | α-helix | trans | -65.7 | -31.9 | 178.2 | -72.2 | 169.9 | -167.8 | 170.1 | 0 | 113.1 | A847 A848 A849 | A847-K851 WeakPolarHBondContact O-CD 3.34Å; A847-K851 WeakPolarHBondContact O-CE 3.45Å; A847-K851 WeakPolarHBondContact O-CG 3.49Å; A848-K851 PolarHBondContact O-N 2.9Å; A849-K851 PolarHBondContact O-N 3.42Å |
| 852 | F | 75.6 | Confident | 69.4 | Low | 169 Ų | 169 | 113.5 Ų | 113.5 | 74% | 0.741 | 63% | 0.625 | S | S | * | * | H | α-helix | trans | -71.4 | -43.7 | 172.6 | -168.3 | -104.7 | 0 | 0 | 0 | 111.3 | A848 A849 E850 V854 Q855 G856 | A848-F852 PolarHBondContact O-N 2.76Å; A849-F852 PolarHBondContact O-N 3.25Å; E850-F852 VanDerWaalsContact C-N 3.31Å; E850-F852 PolarHBondContact O-N 2.9Å; F852-V854 PolarHBondContact O-N 3.21Å; F852-Q855 PolarHBondContact O-N 3.13Å; F852-Q855 VanDerWaalsContact O-N 3.16Å; F852-G856 PolarHBondContact O-N 2.73Å |
| 853 | K | 74 | Confident | 67.3 | Low | 173 Ų | 173 | 116.6 Ų | 116.6 | 75% | 0.752 | 64% | 0.639 | S | S | * | * | H | α-helix | trans | -59.4 | -44 | 177.5 | -170 | 172.3 | -178.2 | 175.8 | 0 | 112.1 | A849 E850 Q855 G856 | A849-K853 WeakPolarHBondContact O-CB 3.47Å; A849-K853 PolarHBondContact O-N 3.42Å; E850-K853 PolarHBondContact O-N 2.97Å; K853-Q855 VanDerWaalsContact C-N 3.28Å; K853-Q855 PolarHBondContact O-N 3.22Å; K853-G856 PolarHBondContact O-N 3.42Å |
| 854 | V | 62.1 | Low | 65.2 | Low | 98 Ų | 98 | 120.6 Ų | 120.6 | 59% | 0.594 | 66% | 0.658 | S | S | * | * | H | α-helix | trans | -65.7 | -25.9 | 178 | 172.3 | 0 | 0 | 0 | 0 | 113 | E850 F852 G856 | E850-V854 WeakPolarHBondContact O-CG2 3.41Å; E850-V854 PolarHBondContact O-N 2.96Å; F852-V854 PolarHBondContact O-N 3.21Å; V854-G856 VanDerWaalsContact C-N 3.33Å |
| 855 | Q | 54.2 | Low | 62.9 | Low | 159 Ų | 159 | 124.6 Ų | 124.6 | 74% | 0.743 | 67% | 0.671 | S | S | * | * | H | α-helix | trans | -80 | -11.8 | 173.3 | -70.9 | -168.8 | -4.7 | 0 | 0 | 113.8 | F852 K853 | F852-Q855 PolarHBondContact O-N 3.13Å; F852-Q855 VanDerWaalsContact O-N 3.16Å; K853-Q855 VanDerWaalsContact C-N 3.28Å; K853-Q855 PolarHBondContact O-N 3.22Å |
| 856 | G | 50.7 | Low | 60.4 | Low | 51 Ų | 51 | 123.2 Ų | 123.2 | 53% | 0.526 | 67% | 0.671 | S | S | . | * | G | 310 helix | trans | -74.4 | -21.4 | 173.1 | 0 | 0 | 0 | 0 | 0 | 114.4 | F852 K853 V854 A858 | F852-G856 PolarHBondContact O-N 2.73Å; K853-G856 PolarHBondContact O-N 3.42Å; V854-G856 VanDerWaalsContact C-N 3.33Å; G856-A858 PolarHBondContact O-N 2.95Å |
| 857 | E | 46.6 | Very low | 58.2 | Low | 167 Ų | 167 | 125.8 Ų | 125.8 | 78% | 0.78 | 68% | 0.68 | S | S | * | * | G | 310 helix | trans | -89 | -0.2 | -171.1 | -145.4 | 173.7 | 162 | 0 | 0 | 114 | | |
| 858 | A | 47.6 | Very low | 55.9 | Low | 84 Ų | 84 | 130.3 Ų | 130.3 | 69% | 0.694 | 70% | 0.704 | S | S | * | * | G | 310 helix | trans | -92.3 | -11.1 | -178.4 | 0 | 0 | 0 | 0 | 0 | 114.7 | G856 | G856-A858 PolarHBondContact O-N 2.95Š|
| 859 | V | 48.5 | Very low | 53.9 | Low | 135 Ų | 135 | 132.7 Ų | 132.7 | 82% | 0.818 | 72% | 0.715 | S | S | * | * | S | Bend | trans | -141.1 | 62.3 | -176.6 | -164.2 | 0 | 0 | 0 | 0 | 111.4 | | |
| 860 | S | 40 | Very low | 51.7 | Low | 97 Ų | 97 | 135.8 Ų | 135.8 | 68% | 0.678 | 73% | 0.728 | S | S | * | * | | | trans | -135.9 | 52.1 | 178.4 | 50.1 | 0 | 0 | 0 | 0 | 112.9 | | |
| 861 | N | 43.8 | Very low | 49.6 | Very low | 148 Ų | 148 | 135.5 Ų | 135.5 | 79% | 0.791 | 74% | 0.735 | S | S | * | * | | | trans | -124.3 | 150 | 156.5 | -168 | 0.3 | 0 | 0 | 0 | 108.3 | | |
| 862 | I | 46.8 | Very low | 47.4 | Very low | 147 Ų | 147 | 135.3 Ų | 135.3 | 75% | 0.754 | 74% | 0.736 | S | S | * | * | S | Bend | trans | 81.6 | 90.4 | -172.5 | -49.1 | 169.6 | 0 | 0 | 0 | 114.6 | | |
| 863 | Q | 44.5 | Very low | 45.8 | Very low | 176 Ų | 176 | 134.8 Ų | 134.8 | 82% | 0.822 | 74% | 0.736 | S | S | * | * | | | | 77.1 | 95.7 | 129.8 | -162.2 | 165.8 | -4.1 | 0 | 0 | 121.2 | | |
| 864 | E | 42.4 | Very low | 44 | Very low | 183 Ų | 183 | 135.4 Ų | 135.4 | 86% | 0.855 | 74% | 0.742 | S | S | * | * | | | trans | -18.2 | 122.9 | 137.4 | 178.7 | -170.6 | 170.5 | 0 | 0 | 116.9 | | |
| 865 | N | 40.4 | Very low | 43 | Very low | 146 Ų | 146 | 134.6 Ų | 134.6 | 78% | 0.781 | 74% | 0.741 | S | S | * | * | | | | 171.1 | 153.9 | 125.2 | -167.5 | 10.5 | 0 | 0 | 0 | 112.2 | | |
| 866 | T | 37.2 | Very low | 42.5 | Very low | 104 Ų | 104 | 133.2 Ų | 133.2 | 64% | 0.638 | 73% | 0.734 | S | S | * | * | | | trans | 87 | 89.6 | 158.4 | -34.7 | 0 | 0 | 0 | 0 | 120.6 | | |
| 867 | Q | 41.4 | Very low | 42.1 | Very low | 180 Ų | 180 | 138.9 Ų | 138.9 | 84% | 0.841 | 75% | 0.747 | S | S | * | * | | | | 70.6 | 129.2 | 125.3 | -149.8 | 163.6 | 13 | 0 | 0 | 122.9 | | |
| 868 | T | 38.9 | Very low | 42.6 | Very low | 127 Ų | 127 | 136.4 Ų | 136.4 | 78% | 0.779 | 74% | 0.736 | S | S | * | * | | | trans | -70.3 | 165.8 | 173.4 | 34.9 | 0 | 0 | 0 | 0 | 113.8 | | |
| 869 | P | 47.6 | Very low | 43 | Very low | 109 Ų | 109 | 141.6 Ų | 141.6 | 71% | 0.708 | 75% | 0.745 | S | S | * | * | | | | -156.5 | -172 | 55.7 | 45 | -22.5 | 0 | 0 | 0 | 120.5 | | |
| 870 | T | 36.1 | Very low | 43.8 | Very low | 123 Ų | 123 | 136.4 Ų | 136.4 | 76% | 0.755 | 71% | 0.714 | S | S | * | * | | | trans | 74.6 | 104.3 | 165.3 | 45.7 | 0 | 0 | 0 | 0 | 117.3 | | |
| 871 | V | 40.9 | Very low | 45.6 | Very low | 124 Ų | 124 | 135.5 Ų | 135.5 | 75% | 0.752 | 70% | 0.701 | S | S | * | * | | | | 90.7 | 130.4 | 82.5 | 149 | 0 | 0 | 0 | 0 | 110.5 | | |
| 872 | Q | 37.2 | Very low | 47.6 | Very low | 141 Ų | 141 | 131.9 Ų | 131.9 | 66% | 0.659 | 68% | 0.68 | S | S | * | * | | | cis | -163.8 | 168 | 5.7 | -113.8 | 177.6 | -36.5 | 0 | 0 | 108.6 | | |
| 873 | E | 40.6 | Very low | 49.3 | Very low | 159 Ų | 159 | 130.1 Ų | 130.1 | 74% | 0.743 | 68% | 0.676 | S | S | * | * | | | cis | -160.5 | -177.1 | -10 | -160.3 | 136.9 | -105.3 | 0 | 0 | 109.9 | | |
| 874 | E | 37.2 | Very low | 51.2 | Low | 185 Ų | 185 | 124.7 Ų | 124.7 | 86% | 0.864 | 67% | 0.667 | S | S | * | * | | | trans | 45.7 | 77.3 | 160.9 | -156.2 | 170.9 | -149.4 | 0 | 0 | 120.5 | | |
| 875 | S | 40 | Very low | 53.6 | Low | 82 Ų | 82 | 116.6 Ų | 116.6 | 57% | 0.573 | 63% | 0.63 | S | S | * | * | | | | -162.6 | 94.8 | 101.8 | -168.1 | 0 | 0 | 0 | 0 | 109.6 | E877 | S875-E877 VanDerWaalsContact C-N 3.29Å; S875-E877 PolarHBondContact O-N 3.41Å; S875-E877 PolarHBondContact OG-OE1 3.23Å |
| 876 | E | 43.4 | Very low | 56.1 | Low | 129 Ų | 129 | 114 Ų | 114 | 60% | 0.603 | 61% | 0.614 | S | S | * | * | | | trans | -93.2 | 60.1 | 175.4 | -162.5 | 179.3 | 119.6 | 0 | 0 | 110.1 | E878 R906 | E876-E878 HydrophobicContact CG-CB 4.32Å; E876-E878 PolarHBondContact O-N 2.89Å; E876-R906 IonicContact OE1-CZ 3.65Å; E876-R906 IonicContact OE1-NH1 2.86Å; E876-R906 PolarHBondContact OE1-NH1 3.26Å; E876-R906 IonicContact OE1-NH2 2.57Å; E876-R906 PolarHBondContact OE1-NH2 3.45Å |
| 877 | E | 43.3 | Very low | 58.8 | Low | 170 Ų | 170 | 113 Ų | 113 | 79% | 0.794 | 61% | 0.607 | S | S | * | * | | | trans | -77.4 | 52.6 | 165 | 59.5 | -159.9 | 116.2 | 0 | 0 | 110.9 | S875 | S875-E877 VanDerWaalsContact C-N 3.29Å; S875-E877 PolarHBondContact O-N 3.41Å; S875-E877 PolarHBondContact OG-OE1 3.23Å |
| 878 | E | 56.1 | Low | 61.4 | Low | 116 Ų | 116 | 110.9 Ų | 110.9 | 54% | 0.542 | 60% | 0.595 | S | S | . | * | | | trans | -63.4 | 133.5 | 164.2 | -177.7 | 177.4 | -126 | 0 | 0 | 108.7 | E876 V880 R906 | E876-E878 HydrophobicContact CG-CB 4.32Å; E876-E878 PolarHBondContact O-N 2.89Å; E878-V880 HydrophobicContact CB-CG2 4.36Å; E878-V880 HydrophobicContact CG-CG2 4.39Å; E878-V880 PolarHBondContact O-N 3.17Å; E878-R906 IonicContact OE2-NH2 2.63Å; E878-R906 PolarHBondContact OE2-NH2 2.93Å |
| 879 | E | 56.1 | Low | 64.2 | Low | 193 Ų | 193 | 106.2 Ų | 106.2 | 90% | 0.902 | 57% | 0.565 | S | S | * | * | | | trans | -72.9 | 76.1 | 174.2 | -169 | 175.4 | 179.1 | 0 | 0 | 109.1 | D881 | E879-D881 PolarHBondContact O-N 3.07Š|
| 880 | V | 66.9 | Low | 66.5 | Low | 26 Ų | 26 | 101.1 Ų | 101.1 | 16% | 0.158 | 53% | 0.532 | C | S | . | . | | | trans | -65.9 | 99.2 | -177.2 | -174 | 0 | 0 | 0 | 0 | 109.1 | E878 E882 A902 V905 | E878-V880 HydrophobicContact CB-CG2 4.36Å; E878-V880 HydrophobicContact CG-CG2 4.39Å; E878-V880 PolarHBondContact O-N 3.17Å; V880-E882 PolarHBondContact O-N 3.09Å; V880-A902 HydrophobicContact CB-CB 4.43Å; V880-A902 HydrophobicContact CG2-CB 3.72Å; V880-V905 HydrophobicContact CB-CG1 4.47Å; V880-V905 HydrophobicContact CG1-CB 4.04Å; V880-V905 HydrophobicContact CG1-CG1 3.57Å |
| 881 | D | 76.9 | Confident | 69.4 | Low | 77 Ų | 77 | 101.2 Ų | 101.2 | 41% | 0.412 | 52% | 0.524 | S | S | . | . | | | trans | -35.6 | 121.7 | 176.4 | 164.2 | 53.7 | 0 | 0 | 0 | 112.5 | E879 T883 K909 | E879-D881 PolarHBondContact O-N 3.07Å; D881-T883 VanDerWaalsContact C-N 3.33Å; D881-T883 WeakPolarHBondContact OD1-CB 3.42Å; D881-T883 PolarHBondContact OD1-N 2.78Å; D881-T883 PolarHBondContact OD1-OG1 2.87Å; D881-K909 WeakPolarHBondContact O-CE 3.33Å; D881-K909 PolarHBondContact O-NZ 3.2Å; D881-K909 IonicContact OD2-NZ 2.69Å; D881-K909 PolarHBondContact OD2-NZ 2.73Å |
| 882 | E | 84.9 | Confident | 72.1 | Confident | 73 Ų | 73 | 98.8 Ų | 98.8 | 34% | 0.341 | 51% | 0.506 | S | S | . | . | | | trans | -88.6 | -3.4 | 179.8 | -65.8 | 174.6 | -157.6 | 0 | 0 | 112.2 | V880 G884 V885 R901 V905 | V880-E882 PolarHBondContact O-N 3.09Å; E882-G884 PolarHBondContact O-N 2.85Å; E882-V885 PolarHBondContact O-N 2.85Å; E882-R901 VanDerWaalsContact CD-CZ 3.41Å; E882-R901 VanDerWaalsContact CD-NH2 3.33Å; E882-R901 IonicContact OE1-CZ 3.73Å; E882-R901 IonicContact OE1-NE 3.2Å; E882-R901 IonicContact OE1-NH1 2.67Å; E882-R901 PolarHBondContact OE1-NH1 2.79Å; E882-R901 IonicContact OE1-NH2 3.07Å; E882-R901 PolarHBondContact OE1-NH2 2.85Å; E882-R901 IonicContact OE2-CZ 3.2Å; E882-R901 VanDerWaalsContact OE2-CZ 3.22Å; E882-R901 IonicContact OE2-NH1 2.71Å; E882-R901 PolarHBondContact OE2-NH1 2.75Å; E882-R901 IonicContact OE2-NH2 2.72Å; E882-R901 PolarHBondContact OE2-NH2 3.26Å; E882-V905 HydrophobicContact CG-CG2 4.35Å |
| 883 | T | 82.9 | Confident | 74.9 | Confident | 109 Ų | 109 | 92.1 Ų | 92.1 | 67% | 0.669 | 48% | 0.475 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.7 | 122.4 | -178.8 | -52.6 | 0 | 0 | 0 | 0 | 111 | D881 | D881-T883 VanDerWaalsContact C-N 3.33Å; D881-T883 WeakPolarHBondContact OD1-CB 3.42Å; D881-T883 PolarHBondContact OD1-N 2.78Å; D881-T883 PolarHBondContact OD1-OG1 2.87Å |
| 884 | G | 85.1 | Confident | 77.6 | Confident | 62 Ų | 62 | 87.6 Ų | 87.6 | 64% | 0.639 | 46% | 0.455 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 88 | 5.6 | 177.5 | 0 | 0 | 0 | 0 | 0 | 115.6 | E882 N913 | E882-G884 PolarHBondContact O-N 2.85Å; G884-N913 PolarHBondContact O-ND2 2.9Å |
| 885 | V | 91.6 | Very high | 80.4 | Confident | 14 Ų | 14 | 83 Ų | 83 | 9% | 0.085 | 44% | 0.443 | C | S | . | . | S | Bend | trans | -116 | 138.5 | 173.2 | -169.9 | 0 | 0 | 0 | 0 | 109.2 | E882 I890 V905 L908 K909 | E882-V885 PolarHBondContact O-N 2.85Å; V885-I890 HydrophobicContact CB-CD1 4.01Å; V885-I890 HydrophobicContact CB-CG1 4.43Å; V885-I890 HydrophobicContact CG1-CD1 3.69Å; V885-I890 HydrophobicContact CG1-CG1 3.56Å; V885-V905 HydrophobicContact CG2-CG1 4.28Å; V885-L908 HydrophobicContact CG1-CB 3.72Å; V885-L908 HydrophobicContact CG1-CD1 3.64Å; V885-L908 HydrophobicContact CG1-CG 4.28Å; V885-K909 HydrophobicContact CG2-CD 4.19Å; V885-K909 HydrophobicContact CG2-CG 3.57Å |
| 886 | E | 93.4 | Very high | 83.1 | Confident | 92 Ų | 92 | 84.6 Ų | 84.6 | 43% | 0.43 | 44% | 0.441 | S | S | . | . | | | trans | -78.6 | 131.6 | 177.7 | -170.2 | 168.6 | 149.9 | 0 | 0 | 111.6 | K888 D889 I890 | E886-K888 HydrophobicContact CG-CB 4.29Å; E886-K888 HydrophobicContact CG-CG 4.42Å; E886-K888 PolarHBondContact O-N 2.85Å; E886-K888 WeakPolarHBondContact OE1-CG 3.26Å; E886-K888 IonicContact OE1-NZ 2.68Å; E886-K888 PolarHBondContact OE1-NZ 2.58Å; E886-D889 HydrophobicContact CB-CB 4.38Å; E886-D889 WeakPolarHBondContact O-CB 3.49Å; E886-D889 PolarHBondContact O-N 3Å; E886-I890 WeakPolarHBondContact O-CG1 3.29Å; E886-I890 PolarHBondContact O-N 2.78Å |
| 887 | V | 94.8 | Very high | 85.6 | Confident | 81 Ų | 81 | 79.1 Ų | 79.1 | 49% | 0.491 | 42% | 0.418 | S | S | . | . | H | α-helix | trans | -59.7 | -33.1 | -179.2 | -177.3 | 0 | 0 | 0 | 0 | 112.5 | I890 E891 | V887-I890 PolarHBondContact O-N 2.67Å; V887-E891 WeakPolarHBondContact O-CB 3.25Å; V887-E891 PolarHBondContact O-N 2.86Å |
| 888 | K | 96 | Very high | 88 | Confident | 137 Ų | 137 | 78.2 Ų | 78.2 | 60% | 0.596 | 42% | 0.419 | S | S | * | . | H | α-helix | trans | -65.6 | -38.7 | 174.6 | -56.2 | -160.3 | -154.7 | 82.8 | 0 | 112 | E886 E891 L892 | E886-K888 HydrophobicContact CG-CB 4.29Å; E886-K888 HydrophobicContact CG-CG 4.42Å; E886-K888 PolarHBondContact O-N 2.85Å; E886-K888 WeakPolarHBondContact OE1-CG 3.26Å; E886-K888 IonicContact OE1-NZ 2.68Å; E886-K888 PolarHBondContact OE1-NZ 2.58Å; K888-E891 PolarHBondContact O-N 2.83Å; K888-L892 WeakPolarHBondContact O-CB 3.44Å; K888-L892 PolarHBondContact O-N 3.17Å |
| 889 | D | 96.6 | Very high | 89.9 | Confident | 29 Ų | 29 | 73.8 Ų | 73.8 | 16% | 0.155 | 40% | 0.4 | C | S | . | . | H | α-helix | trans | -69.7 | -40.5 | -180 | -60 | -6.7 | 0 | 0 | 0 | 109.6 | E886 L892 V893 L908 I915 | E886-D889 HydrophobicContact CB-CB 4.38Å; E886-D889 WeakPolarHBondContact O-CB 3.49Å; E886-D889 PolarHBondContact O-N 3Å; D889-L892 PolarHBondContact O-N 3.2Å; D889-V893 WeakPolarHBondContact O-CB 3.01Å; D889-V893 VanDerWaalsContact O-CG2 3.23Å; D889-V893 WeakPolarHBondContact O-CG2 3.03Å; D889-V893 PolarHBondContact O-N 2.71Å; D889-L908 HydrophobicContact CB-CD1 3.89Å; D889-L908 HydrophobicContact CB-CD2 4.13Å; D889-I915 HydrophobicContact CB-CD1 4.13Å; D889-I915 HydrophobicContact CB-CG1 4.04Å; D889-I915 VanDerWaalsContact CG-CD1 3.48Å; D889-I915 VanDerWaalsContact OD1-CD1 3.25Å; D889-I915 WeakPolarHBondContact OD1-CD1 3.1Å |
| 890 | I | 96.6 | Very high | 91.7 | Very high | 1 Ų | 1 | 68.1 Ų | 68.1 | 1% | 0.005 | 38% | 0.382 | C | S | . | . | H | α-helix | trans | -58.7 | -50.3 | 172.9 | -63.4 | 159.3 | 0 | 0 | 0 | 110.4 | V885 E886 V887 L892 V893 M894 R901 A904 V905 L908 | V885-I890 HydrophobicContact CB-CD1 4.01Å; V885-I890 HydrophobicContact CB-CG1 4.43Å; V885-I890 HydrophobicContact CG1-CD1 3.69Å; V885-I890 HydrophobicContact CG1-CG1 3.56Å; E886-I890 WeakPolarHBondContact O-CG1 3.29Å; E886-I890 PolarHBondContact O-N 2.78Å; V887-I890 PolarHBondContact O-N 2.67Å; I890-L892 VanDerWaalsContact C-N 3.31Å; I890-L892 PolarHBondContact O-N 3.4Å; I890-V893 PolarHBondContact O-N 3.2Å; I890-M894 HydrophobicContact CG2-CG 4.45Å; I890-M894 HydrophobicContact CG2-SD 4.02Å; I890-M894 WeakPolarHBondContact O-CB 3.41Å; I890-M894 WeakPolarHBondContact O-CG 3.38Å; I890-M894 PolarHBondContact O-N 2.88Å; I890-R901 HydrophobicContact CG2-CG 3.69Å; I890-A904 HydrophobicContact CG2-CB 4.15Å; I890-V905 HydrophobicContact CD1-CG2 3.6Å; I890-V905 HydrophobicContact CG1-CG2 3.78Å; I890-V905 HydrophobicContact CG2-CG2 3.96Å; I890-L908 HydrophobicContact CB-CD1 4.31Å; I890-L908 HydrophobicContact CG1-CD1 3.71Å |
| 891 | E | 96.8 | Very high | 93.1 | Very high | 125 Ų | 125 | 72.1 Ų | 72.1 | 58% | 0.584 | 39% | 0.394 | S | S | * | . | H | α-helix | trans | -61.1 | -39.3 | 177.7 | -176 | 175.2 | -162.3 | 0 | 0 | 112.1 | V887 K888 S895 | V887-E891 WeakPolarHBondContact O-CB 3.25Å; V887-E891 PolarHBondContact O-N 2.86Å; K888-E891 PolarHBondContact O-N 2.83Å; E891-S895 VanDerWaalsContact O-CB 3.26Å; E891-S895 WeakPolarHBondContact O-CB 3.39Å; E891-S895 PolarHBondContact O-N 2.65Å; E891-S895 PolarHBondContact O-OG 2.79Å |
| 892 | L | 96.9 | Very high | 93.9 | Very high | 74 Ų | 74 | 69.8 Ų | 69.8 | 39% | 0.387 | 39% | 0.385 | S | S | . | . | H | α-helix | trans | -70.9 | -40.1 | 179.6 | -172.9 | 58.5 | 0 | 0 | 0 | 112.5 | K888 D889 I890 S895 Q896 I915 | K888-L892 WeakPolarHBondContact O-CB 3.44Å; K888-L892 PolarHBondContact O-N 3.17Å; D889-L892 PolarHBondContact O-N 3.2Å; I890-L892 VanDerWaalsContact C-N 3.31Å; I890-L892 PolarHBondContact O-N 3.4Å; L892-S895 PolarHBondContact O-N 3.22Å; L892-Q896 HydrophobicContact CD1-CG 4.35Å; L892-Q896 WeakPolarHBondContact O-CB 3.34Å; L892-Q896 WeakPolarHBondContact O-CG 3.46Å; L892-Q896 PolarHBondContact O-N 2.86Å; L892-I915 HydrophobicContact CD2-CD1 4.34Å; L892-I915 HydrophobicContact CD2-CG2 4Å; L892-I915 HydrophobicContact CG-CG2 4.3Å |
| 893 | V | 96.9 | Very high | 94.3 | Very high | 0 Ų | 0 | 71.3 Ų | 71.3 | 0% | 0 | 39% | 0.391 | C | S | . | . | H | α-helix | trans | -67.2 | -45.4 | 173.1 | 172.7 | 0 | 0 | 0 | 0 | 110.6 | D889 I890 S895 Q896 A897 V899 A904 L908 I915 A918 I919 L922 | D889-V893 WeakPolarHBondContact O-CB 3.01Å; D889-V893 VanDerWaalsContact O-CG2 3.23Å; D889-V893 WeakPolarHBondContact O-CG2 3.03Å; D889-V893 PolarHBondContact O-N 2.71Å; I890-V893 PolarHBondContact O-N 3.2Å; V893-S895 VanDerWaalsContact C-N 3.29Å; V893-S895 PolarHBondContact O-N 3.15Å; V893-Q896 PolarHBondContact O-N 3.46Å; V893-A897 VanDerWaalsContact O-CB 3.31Å; V893-A897 WeakPolarHBondContact O-CB 3.36Å; V893-A897 PolarHBondContact O-N 2.96Å; V893-V899 HydrophobicContact CG1-CG2 4.32Å; V893-A904 HydrophobicContact CB-CB 4.03Å; V893-A904 HydrophobicContact CG1-CB 3.7Å; V893-L908 HydrophobicContact CG2-CD1 3.98Å; V893-L908 HydrophobicContact CG2-CD2 3.91Å; V893-L908 HydrophobicContact CG2-CG 3.96Å; V893-I915 HydrophobicContact CG2-CG2 3.96Å; V893-A918 HydrophobicContact CG2-CB 4.23Å; V893-I919 HydrophobicContact CB-CG1 4.43Å; V893-I919 HydrophobicContact CG2-CG1 4.03Å; V893-L922 HydrophobicContact CG1-CD1 3.47Å; V893-L922 VanDerWaalsContact CG1-CD1 3.47Å |
| 894 | M | 96.9 | Very high | 94.9 | Very high | 64 Ų | 64 | 66.1 Ų | 66.1 | 32% | 0.315 | 36% | 0.359 | S | S | . | . | H | α-helix | trans | -55.8 | -44.8 | 173.6 | -74.5 | 176.1 | 65.1 | 0 | 0 | 111.6 | I890 N898 V899 R901 A904 | I890-M894 HydrophobicContact CG2-CG 4.45Å; I890-M894 HydrophobicContact CG2-SD 4.02Å; I890-M894 WeakPolarHBondContact O-CB 3.41Å; I890-M894 WeakPolarHBondContact O-CG 3.38Å; I890-M894 PolarHBondContact O-N 2.88Å; M894-N898 WeakPolarHBondContact O-CA 3.39Å; M894-N898 PolarHBondContact O-N 3.13Å; M894-V899 PolarHBondContact O-N 3.2Å; M894-R901 HydrophobicContact CE-CB 4.12Å; M894-R901 VanDerWaalsContact SD-CA 3.53Å; M894-R901 HydrophobicContact SD-CB 3.64Å; M894-R901 HydrophobicContact SD-CG 3.75Å; M894-A904 HydrophobicContact CG-CB 3.66Å |
| 895 | S | 96.5 | Very high | 95.4 | Very high | 89 Ų | 89 | 63.3 Ų | 63.3 | 62% | 0.622 | 33% | 0.329 | S | S | * | . | H | α-helix | trans | -72.6 | -36.3 | -176.4 | -59.5 | 0 | 0 | 0 | 0 | 113.7 | E891 L892 V893 | E891-S895 VanDerWaalsContact O-CB 3.26Å; E891-S895 WeakPolarHBondContact O-CB 3.39Å; E891-S895 PolarHBondContact O-N 2.65Å; E891-S895 PolarHBondContact O-OG 2.79Å; L892-S895 PolarHBondContact O-N 3.22Å; V893-S895 VanDerWaalsContact C-N 3.29Å; V893-S895 PolarHBondContact O-N 3.15Å |
| 896 | Q | 96.1 | Very high | 95.5 | Very high | 115 Ų | 115 | 67.1 Ų | 67.1 | 54% | 0.537 | 34% | 0.342 | S | S | . | . | H | α-helix | trans | -87.5 | -34 | -178.9 | -71.8 | -170.5 | 74.3 | 0 | 0 | 113.4 | L892 V893 I919 | L892-Q896 HydrophobicContact CD1-CG 4.35Å; L892-Q896 WeakPolarHBondContact O-CB 3.34Å; L892-Q896 WeakPolarHBondContact O-CG 3.46Å; L892-Q896 PolarHBondContact O-N 2.86Å; V893-Q896 PolarHBondContact O-N 3.46Å; Q896-I919 HydrophobicContact CB-CD1 3.78Å; Q896-I919 HydrophobicContact CB-CG1 4.19Å; Q896-I919 HydrophobicContact CB-CG2 4.28Å; Q896-I919 HydrophobicContact CG-CD1 4.21Å |
| 897 | A | 95.6 | Very high | 95.7 | Very high | 14 Ų | 14 | 62.9 Ų | 62.9 | 12% | 0.116 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -97.2 | -4.8 | 179.5 | 0 | 0 | 0 | 0 | 0 | 114.2 | V893 V899 L922 T923 | V893-A897 VanDerWaalsContact O-CB 3.31Å; V893-A897 WeakPolarHBondContact O-CB 3.36Å; V893-A897 PolarHBondContact O-N 2.96Å; A897-V899 VanDerWaalsContact C-N 3.34Å; A897-V899 HydrophobicContact CB-CG1 3.96Å; A897-V899 HydrophobicContact CB-CG2 4.35Å; A897-V899 WeakPolarHBondContact O-CG1 3.41Å; A897-V899 PolarHBondContact O-N 3.22Å; A897-L922 HydrophobicContact CB-CB 3.65Å; A897-L922 HydrophobicContact CB-CD1 4.27Å; A897-T923 HydrophobicContact CB-CG2 3.66Å |
| 898 | N | 94.4 | Very high | 95.7 | Very high | 152 Ų | 152 | 59 Ų | 59 | 81% | 0.813 | 30% | 0.299 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 54.1 | 47.4 | -178 | -161.4 | 101.2 | 0 | 0 | 0 | 112.3 | M894 | M894-N898 WeakPolarHBondContact O-CA 3.39Å; M894-N898 PolarHBondContact O-N 3.13Å |
| 899 | V | 95.5 | Very high | 95.7 | Very high | 22 Ų | 22 | 56.3 Ų | 56.3 | 13% | 0.133 | 29% | 0.287 | C | S | . | . | | | trans | -113.6 | 162 | -177 | -61 | 0 | 0 | 0 | 0 | 113.1 | V893 M894 A897 K903 A904 L922 | V893-V899 HydrophobicContact CG1-CG2 4.32Å; M894-V899 PolarHBondContact O-N 3.2Å; A897-V899 VanDerWaalsContact C-N 3.34Å; A897-V899 HydrophobicContact CB-CG1 3.96Å; A897-V899 HydrophobicContact CB-CG2 4.35Å; A897-V899 WeakPolarHBondContact O-CG1 3.41Å; A897-V899 PolarHBondContact O-N 3.22Å; V899-K903 HydrophobicContact CB-CB 4.22Å; V899-K903 HydrophobicContact CB-CD 4.13Å; V899-K903 HydrophobicContact CG1-CD 3.94Å; V899-A904 HydrophobicContact CG2-CB 3.9Å; V899-L922 HydrophobicContact CG1-CB 4.24Å; V899-L922 HydrophobicContact CG1-CD1 4.19Å; V899-L922 HydrophobicContact CG1-CD2 4.32Å; V899-L922 HydrophobicContact CG2-CD1 3.92Å |
| 900 | S | 95.1 | Very high | 95.6 | Very high | 75 Ų | 75 | 59.8 Ų | 59.8 | 52% | 0.524 | 31% | 0.306 | S | S | . | . | | | trans | -68 | 155.5 | 170.8 | 66.2 | 0 | 0 | 0 | 0 | 112.1 | A902 K903 A904 | S900-A902 VanDerWaalsContact C-N 3.34Å; S900-A902 PolarHBondContact O-N 3.25Å; S900-K903 PolarHBondContact O-N 3.23Å; S900-A904 PolarHBondContact O-N 2.8Å |
| 901 | R | 94.6 | Very high | 95.6 | Very high | 109 Ų | 109 | 60.9 Ų | 60.9 | 41% | 0.411 | 31% | 0.312 | S | S | . | . | H | α-helix | trans | -55.2 | -46.3 | -179 | -162.7 | 178 | -166.1 | -147.9 | -0.1 | 112.4 | E882 I890 M894 K903 A904 V905 | E882-R901 VanDerWaalsContact CD-CZ 3.41Å; E882-R901 VanDerWaalsContact CD-NH2 3.33Å; E882-R901 IonicContact OE1-CZ 3.73Å; E882-R901 IonicContact OE1-NE 3.2Å; E882-R901 IonicContact OE1-NH1 2.67Å; E882-R901 PolarHBondContact OE1-NH1 2.79Å; E882-R901 IonicContact OE1-NH2 3.07Å; E882-R901 PolarHBondContact OE1-NH2 2.85Å; E882-R901 IonicContact OE2-CZ 3.2Å; E882-R901 VanDerWaalsContact OE2-CZ 3.22Å; E882-R901 IonicContact OE2-NH1 2.71Å; E882-R901 PolarHBondContact OE2-NH1 2.75Å; E882-R901 IonicContact OE2-NH2 2.72Å; E882-R901 PolarHBondContact OE2-NH2 3.26Å; I890-R901 HydrophobicContact CG2-CG 3.69Å; M894-R901 HydrophobicContact CE-CB 4.12Å; M894-R901 VanDerWaalsContact SD-CA 3.53Å; M894-R901 HydrophobicContact SD-CB 3.64Å; M894-R901 HydrophobicContact SD-CG 3.75Å; R901-K903 VanDerWaalsContact C-N 3.33Å; R901-K903 PolarHBondContact O-N 3.35Å; R901-A904 PolarHBondContact O-N 3.15Å; R901-V905 VanDerWaalsContact O-CG2 3.27Å; R901-V905 WeakPolarHBondContact O-CG2 3.36Å; R901-V905 PolarHBondContact O-N 2.85Å |
| 902 | A | 94.6 | Very high | 95.5 | Very high | 28 Ų | 28 | 60.3 Ų | 60.3 | 23% | 0.231 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -56.6 | -43.3 | 175.7 | 0 | 0 | 0 | 0 | 0 | 112.6 | V880 S900 R906 | V880-A902 HydrophobicContact CB-CB 4.43Å; V880-A902 HydrophobicContact CG2-CB 3.72Å; S900-A902 VanDerWaalsContact C-N 3.34Å; S900-A902 PolarHBondContact O-N 3.25Å; A902-R906 VanDerWaalsContact O-CB 3.26Å; A902-R906 WeakPolarHBondContact O-CB 3.39Å; A902-R906 PolarHBondContact O-N 3.05Å |
| 903 | K | 93.8 | Very high | 95.3 | Very high | 106 Ų | 106 | 59.5 Ų | 59.5 | 46% | 0.461 | 32% | 0.318 | S | S | . | . | H | α-helix | trans | -69.9 | -37.3 | 178.6 | -162 | -175.8 | -175.6 | -157.1 | 0 | 111.9 | V899 S900 R901 A907 L922 | V899-K903 HydrophobicContact CB-CB 4.22Å; V899-K903 HydrophobicContact CB-CD 4.13Å; V899-K903 HydrophobicContact CG1-CD 3.94Å; S900-K903 PolarHBondContact O-N 3.23Å; R901-K903 VanDerWaalsContact C-N 3.33Å; R901-K903 PolarHBondContact O-N 3.35Å; K903-A907 WeakPolarHBondContact O-CB 3.39Å; K903-A907 PolarHBondContact O-N 3.12Å; K903-L922 HydrophobicContact CD-CD2 3.84Å; K903-L922 HydrophobicContact CG-CD2 3.81Å |
| 904 | A | 95.6 | Very high | 95.3 | Very high | 0 Ų | 0 | 63.4 Ų | 63.4 | 0% | 0 | 34% | 0.339 | C | S | . | . | H | α-helix | trans | -64.9 | -46.4 | 173.1 | 0 | 0 | 0 | 0 | 0 | 112.6 | I890 V893 M894 V899 S900 R901 R906 A907 L908 | I890-A904 HydrophobicContact CG2-CB 4.15Å; V893-A904 HydrophobicContact CB-CB 4.03Å; V893-A904 HydrophobicContact CG1-CB 3.7Å; M894-A904 HydrophobicContact CG-CB 3.66Å; V899-A904 HydrophobicContact CG2-CB 3.9Å; S900-A904 PolarHBondContact O-N 2.8Å; R901-A904 PolarHBondContact O-N 3.15Å; A904-R906 PolarHBondContact O-N 3.08Å; A904-A907 PolarHBondContact O-N 2.8Å; A904-L908 WeakPolarHBondContact O-CB 3.19Å; A904-L908 WeakPolarHBondContact O-CG 3.42Å; A904-L908 PolarHBondContact O-N 2.8Å |
| 905 | V | 95.3 | Very high | 95.2 | Very high | 2 Ų | 2 | 62.4 Ų | 62.4 | 1% | 0.012 | 33% | 0.334 | C | S | . | . | H | α-helix | trans | -60.3 | -45 | 175 | 176.6 | 0 | 0 | 0 | 0 | 110.7 | V880 E882 V885 I890 R901 L908 K909 | V880-V905 HydrophobicContact CB-CG1 4.47Å; V880-V905 HydrophobicContact CG1-CB 4.04Å; V880-V905 HydrophobicContact CG1-CG1 3.57Å; E882-V905 HydrophobicContact CG-CG2 4.35Å; V885-V905 HydrophobicContact CG2-CG1 4.28Å; I890-V905 HydrophobicContact CD1-CG2 3.6Å; I890-V905 HydrophobicContact CG1-CG2 3.78Å; I890-V905 HydrophobicContact CG2-CG2 3.96Å; R901-V905 VanDerWaalsContact O-CG2 3.27Å; R901-V905 WeakPolarHBondContact O-CG2 3.36Å; R901-V905 PolarHBondContact O-N 2.85Å; V905-L908 PolarHBondContact O-N 3.4Å; V905-K909 HydrophobicContact CG1-CD 4.29Å; V905-K909 WeakPolarHBondContact O-CB 3.36Å; V905-K909 WeakPolarHBondContact O-CG 3.29Å; V905-K909 PolarHBondContact O-N 3.4Å |
| 906 | R | 94.3 | Very high | 95.2 | Very high | 95 Ų | 95 | 63.4 Ų | 63.4 | 36% | 0.358 | 34% | 0.336 | S | S | . | . | H | α-helix | trans | -63.5 | -43.9 | 178.7 | -167.2 | 174.4 | -74.2 | 169.6 | -1.7 | 111.6 | E876 E878 A902 A904 K909 N910 | E876-R906 IonicContact OE1-CZ 3.65Å; E876-R906 IonicContact OE1-NH1 2.86Å; E876-R906 PolarHBondContact OE1-NH1 3.26Å; E876-R906 IonicContact OE1-NH2 2.57Å; E876-R906 PolarHBondContact OE1-NH2 3.45Å; E878-R906 IonicContact OE2-NH2 2.63Å; E878-R906 PolarHBondContact OE2-NH2 2.93Å; A902-R906 VanDerWaalsContact O-CB 3.26Å; A902-R906 WeakPolarHBondContact O-CB 3.39Å; A902-R906 PolarHBondContact O-N 3.05Å; A904-R906 PolarHBondContact O-N 3.08Å; R906-K909 PolarHBondContact O-N 2.84Å; R906-N910 WeakPolarHBondContact O-CB 3.44Å; R906-N910 PolarHBondContact O-N 3.01Å; R906-N910 PolarHBondContact O-OD1 3.27Å |
| 907 | A | 95.9 | Very high | 95.2 | Very high | 3 Ų | 3 | 61.1 Ų | 61.1 | 3% | 0.025 | 33% | 0.328 | C | S | . | . | H | α-helix | trans | -65.1 | -41.6 | 175.3 | 0 | 0 | 0 | 0 | 0 | 112.8 | K903 A904 N910 N911 A918 L922 | K903-A907 WeakPolarHBondContact O-CB 3.39Å; K903-A907 PolarHBondContact O-N 3.12Å; A904-A907 PolarHBondContact O-N 2.8Å; A907-N910 PolarHBondContact O-N 2.93Å; A907-N911 WeakPolarHBondContact O-CB 3.25Å; A907-N911 PolarHBondContact O-N 2.8Å; A907-N911 PolarHBondContact O-ND2 3.06Å; A907-A918 HydrophobicContact CB-CB 4.06Å; A907-L922 HydrophobicContact CB-CD1 3.47Å; A907-L922 VanDerWaalsContact CB-CD1 3.47Å; A907-L922 HydrophobicContact CB-CD2 4.13Å; A907-L922 HydrophobicContact CB-CG 3.82Å |
| 908 | L | 96.4 | Very high | 95.3 | Very high | 0 Ų | 0 | 60.4 Ų | 60.4 | 0% | 0 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -63.9 | -44.8 | 175.2 | -75.1 | 162.8 | 0 | 0 | 0 | 111.4 | V885 D889 I890 V893 A904 V905 N910 N911 S912 N913 I915 A918 | V885-L908 HydrophobicContact CG1-CB 3.72Å; V885-L908 HydrophobicContact CG1-CD1 3.64Å; V885-L908 HydrophobicContact CG1-CG 4.28Å; D889-L908 HydrophobicContact CB-CD1 3.89Å; D889-L908 HydrophobicContact CB-CD2 4.13Å; I890-L908 HydrophobicContact CB-CD1 4.31Å; I890-L908 HydrophobicContact CG1-CD1 3.71Å; V893-L908 HydrophobicContact CG2-CD1 3.98Å; V893-L908 HydrophobicContact CG2-CD2 3.91Å; V893-L908 HydrophobicContact CG2-CG 3.96Å; A904-L908 WeakPolarHBondContact O-CB 3.19Å; A904-L908 WeakPolarHBondContact O-CG 3.42Å; A904-L908 PolarHBondContact O-N 2.8Å; V905-L908 PolarHBondContact O-N 3.4Å; L908-N910 PolarHBondContact O-N 3.41Å; L908-N911 CarbonylContact O-C 3.27Å; L908-N911 PolarHBondContact O-N 3.12Å; L908-N911 VanDerWaalsContact O-N 3.16Å; L908-S912 PolarHBondContact O-N 3.06Å; L908-S912 VanDerWaalsContact O-N 3.1Å; L908-N913 WeakPolarHBondContact O-CA 3.41Å; L908-N913 PolarHBondContact O-N 3.32Å; L908-I915 HydrophobicContact CD2-CG1 4.47Å; L908-A918 HydrophobicContact CD2-CB 3.97Å; L908-A918 HydrophobicContact CG-CB 4.22Å |
| 909 | K | 95.2 | Very high | 95.4 | Very high | 79 Ų | 79 | 54.3 Ų | 54.3 | 34% | 0.343 | 29% | 0.289 | S | S | . | . | H | α-helix | trans | -60.1 | -44.2 | 174.7 | -77.1 | -174.1 | 164.4 | -178.7 | 0 | 112.4 | D881 V885 V905 R906 N911 S912 | D881-K909 WeakPolarHBondContact O-CE 3.33Å; D881-K909 PolarHBondContact O-NZ 3.2Å; D881-K909 IonicContact OD2-NZ 2.69Å; D881-K909 PolarHBondContact OD2-NZ 2.73Å; V885-K909 HydrophobicContact CG2-CD 4.19Å; V885-K909 HydrophobicContact CG2-CG 3.57Å; V905-K909 HydrophobicContact CG1-CD 4.29Å; V905-K909 WeakPolarHBondContact O-CB 3.36Å; V905-K909 WeakPolarHBondContact O-CG 3.29Å; V905-K909 PolarHBondContact O-N 3.4Å; R906-K909 PolarHBondContact O-N 2.84Å; K909-N911 VanDerWaalsContact C-N 3.28Å; K909-N911 PolarHBondContact O-N 3.44Å; K909-S912 PolarHBondContact O-N 3.43Å |
| 910 | N | 95.3 | Very high | 95.4 | Very high | 103 Ų | 103 | 57.9 Ų | 57.9 | 55% | 0.551 | 31% | 0.306 | S | S | * | . | H | α-helix | trans | -58.1 | -40.9 | 174.6 | -71.7 | -4.2 | 0 | 0 | 0 | 112 | R906 A907 L908 S912 | R906-N910 WeakPolarHBondContact O-CB 3.44Å; R906-N910 PolarHBondContact O-N 3.01Å; R906-N910 PolarHBondContact O-OD1 3.27Å; A907-N910 PolarHBondContact O-N 2.93Å; L908-N910 PolarHBondContact O-N 3.41Å; N910-S912 PolarHBondContact O-N 3.48Å |
| 911 | N | 95.4 | Very high | 95.4 | Very high | 24 Ų | 24 | 58.9 Ų | 58.9 | 13% | 0.128 | 30% | 0.302 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -93.2 | 17.1 | -175.7 | -69.2 | -72.8 | 0 | 0 | 0 | 114.2 | A907 L908 K909 N913 D914 N917 A918 E921 | A907-N911 WeakPolarHBondContact O-CB 3.25Å; A907-N911 PolarHBondContact O-N 2.8Å; A907-N911 PolarHBondContact O-ND2 3.06Å; L908-N911 CarbonylContact O-C 3.27Å; L908-N911 PolarHBondContact O-N 3.12Å; L908-N911 VanDerWaalsContact O-N 3.16Å; K909-N911 VanDerWaalsContact C-N 3.28Å; K909-N911 PolarHBondContact O-N 3.44Å; N911-N913 PolarHBondContact O-N 3.09Å; N911-D914 HydrophobicContact CB-CB 4.33Å; N911-D914 WeakPolarHBondContact O-CB 3.5Å; N911-D914 PolarHBondContact O-N 3.48Å; N911-N917 HydrophobicContact CB-CB 4.37Å; N911-N917 PolarHBondContact OD1-ND2 3.12Å; N911-A918 HydrophobicContact CB-CB 4.29Å; N911-E921 PolarHBondContact ND2-OE2 3.13Å |
| 912 | S | 94.4 | Very high | 95.5 | Very high | 112 Ų | 112 | 54.8 Ų | 54.8 | 78% | 0.783 | 29% | 0.288 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 54.4 | 35.9 | -179.3 | -54.6 | 0 | 0 | 0 | 0 | 113.8 | L908 K909 N910 D914 | L908-S912 PolarHBondContact O-N 3.06Å; L908-S912 VanDerWaalsContact O-N 3.1Å; K909-S912 PolarHBondContact O-N 3.43Å; N910-S912 PolarHBondContact O-N 3.48Å; S912-D914 VanDerWaalsContact C-N 3.33Å |
| 913 | N | 93.8 | Very high | 95.4 | Very high | 57 Ų | 57 | 57.2 Ų | 57.2 | 31% | 0.305 | 30% | 0.3 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 65 | 19.4 | -172 | -55.3 | -36.5 | 0 | 0 | 0 | 115.9 | G884 L908 N911 I915 | G884-N913 PolarHBondContact O-ND2 2.9Å; L908-N913 WeakPolarHBondContact O-CA 3.41Å; L908-N913 PolarHBondContact O-N 3.32Å; N911-N913 PolarHBondContact O-N 3.09Å; N913-I915 PolarHBondContact O-N 2.64Å; N913-I915 VanDerWaalsContact O-N 3.09Å |
| 914 | D | 96.4 | Very high | 94.8 | Very high | 82 Ų | 82 | 62.1 Ų | 62.1 | 44% | 0.439 | 33% | 0.327 | S | S | . | . | | | trans | -71.1 | 102.9 | 166.4 | -169.9 | -37.3 | 0 | 0 | 0 | 110.3 | N911 S912 V916 N917 A918 | N911-D914 HydrophobicContact CB-CB 4.33Å; N911-D914 WeakPolarHBondContact O-CB 3.5Å; N911-D914 PolarHBondContact O-N 3.48Å; S912-D914 VanDerWaalsContact C-N 3.33Å; D914-V916 VanDerWaalsContact C-N 3.28Å; D914-V916 PolarHBondContact O-N 2.88Å; D914-V916 WeakPolarHBondContact OD1-CA 3.35Å; D914-V916 WeakPolarHBondContact OD1-CB 3.43Å; D914-V916 PolarHBondContact OD1-N 3.42Å; D914-N917 HydrophobicContact CB-CB 4.1Å; D914-N917 PolarHBondContact O-N 3.02Å; D914-N917 PolarHBondContact OD1-N 3.46Å; D914-A918 WeakPolarHBondContact O-CB 3.39Å; D914-A918 PolarHBondContact O-N 3.16Å |
| 915 | I | 95.7 | Very high | 94.8 | Very high | 44 Ų | 44 | 65.2 Ų | 65.2 | 23% | 0.226 | 34% | 0.343 | C | S | . | . | H | α-helix | trans | -57.2 | -39.9 | 178.4 | -43.3 | 177.8 | 0 | 0 | 0 | 111.7 | D889 L892 V893 L908 N913 I919 | D889-I915 HydrophobicContact CB-CD1 4.13Å; D889-I915 HydrophobicContact CB-CG1 4.04Å; D889-I915 VanDerWaalsContact CG-CD1 3.48Å; D889-I915 VanDerWaalsContact OD1-CD1 3.25Å; D889-I915 WeakPolarHBondContact OD1-CD1 3.1Å; L892-I915 HydrophobicContact CD2-CD1 4.34Å; L892-I915 HydrophobicContact CD2-CG2 4Å; L892-I915 HydrophobicContact CG-CG2 4.3Å; V893-I915 HydrophobicContact CG2-CG2 3.96Å; L908-I915 HydrophobicContact CD2-CG1 4.47Å; N913-I915 PolarHBondContact O-N 2.64Å; N913-I915 VanDerWaalsContact O-N 3.09Å; I915-I919 HydrophobicContact CG2-CD1 3.94Å; I915-I919 WeakPolarHBondContact O-CB 3.38Å; I915-I919 VanDerWaalsContact O-CG1 3.26Å; I915-I919 WeakPolarHBondContact O-CG1 3.47Å; I915-I919 PolarHBondContact O-N 3.47Å |
| 916 | V | 95.9 | Very high | 94.8 | Very high | 109 Ų | 109 | 68.5 Ų | 68.5 | 66% | 0.661 | 36% | 0.361 | S | S | * | . | H | α-helix | trans | -73.8 | -44 | -174.3 | -178.2 | 0 | 0 | 0 | 0 | 109.8 | D914 I919 M920 | D914-V916 VanDerWaalsContact C-N 3.28Å; D914-V916 PolarHBondContact O-N 2.88Å; D914-V916 WeakPolarHBondContact OD1-CA 3.35Å; D914-V916 WeakPolarHBondContact OD1-CB 3.43Å; D914-V916 PolarHBondContact OD1-N 3.42Å; V916-I919 PolarHBondContact O-N 2.85Å; V916-M920 WeakPolarHBondContact O-CB 3.15Å; V916-M920 PolarHBondContact O-N 3.12Å |
| 917 | N | 96.3 | Very high | 94.8 | Very high | 67 Ų | 67 | 67.1 Ų | 67.1 | 36% | 0.358 | 36% | 0.361 | S | S | . | . | H | α-helix | trans | -70 | -35.3 | 176.8 | -146.4 | 63.2 | 0 | 0 | 0 | 111.5 | N911 D914 M920 E921 | N911-N917 HydrophobicContact CB-CB 4.37Å; N911-N917 PolarHBondContact OD1-ND2 3.12Å; D914-N917 HydrophobicContact CB-CB 4.1Å; D914-N917 PolarHBondContact O-N 3.02Å; D914-N917 PolarHBondContact OD1-N 3.46Å; N917-M920 PolarHBondContact O-N 3.49Å; N917-M920 WeakPolarHBondContact OD1-CE 3.32Å; N917-E921 WeakPolarHBondContact O-CB 3.29Å; N917-E921 PolarHBondContact O-N 3.48Å |
| 918 | A | 96.9 | Very high | 94.7 | Very high | 0 Ų | 0 | 70.8 Ų | 70.8 | 0% | 0 | 38% | 0.381 | C | S | . | . | H | α-helix | trans | -65.5 | -41 | 173.6 | 0 | 0 | 0 | 0 | 0 | 113.2 | V893 A907 L908 N911 D914 L922 | V893-A918 HydrophobicContact CG2-CB 4.23Å; A907-A918 HydrophobicContact CB-CB 4.06Å; L908-A918 HydrophobicContact CD2-CB 3.97Å; L908-A918 HydrophobicContact CG-CB 4.22Å; N911-A918 HydrophobicContact CB-CB 4.29Å; D914-A918 WeakPolarHBondContact O-CB 3.39Å; D914-A918 PolarHBondContact O-N 3.16Å; A918-L922 WeakPolarHBondContact O-CB 3.34Å; A918-L922 WeakPolarHBondContact O-CD1 3.16Å; A918-L922 WeakPolarHBondContact O-CG 3.06Å; A918-L922 PolarHBondContact O-N 3.28Å |
| 919 | I | 96.4 | Very high | 94.6 | Very high | 23 Ų | 23 | 75.3 Ų | 75.3 | 12% | 0.118 | 41% | 0.405 | C | S | . | . | H | α-helix | trans | -64.1 | -46.5 | 172.1 | -69.6 | 164.4 | 0 | 0 | 0 | 109.6 | V893 Q896 I915 V916 E921 L922 T923 | V893-I919 HydrophobicContact CB-CG1 4.43Å; V893-I919 HydrophobicContact CG2-CG1 4.03Å; Q896-I919 HydrophobicContact CB-CD1 3.78Å; Q896-I919 HydrophobicContact CB-CG1 4.19Å; Q896-I919 HydrophobicContact CB-CG2 4.28Å; Q896-I919 HydrophobicContact CG-CD1 4.21Å; I915-I919 HydrophobicContact CG2-CD1 3.94Å; I915-I919 WeakPolarHBondContact O-CB 3.38Å; I915-I919 VanDerWaalsContact O-CG1 3.26Å; I915-I919 WeakPolarHBondContact O-CG1 3.47Å; I915-I919 PolarHBondContact O-N 3.47Å; V916-I919 PolarHBondContact O-N 2.85Å; I919-E921 PolarHBondContact O-N 2.89Å; I919-L922 CarbonylContact O-C 3.54Å; I919-L922 WeakPolarHBondContact O-CA 3.27Å; I919-L922 PolarHBondContact O-N 2.89Å; I919-T923 HydrophobicContact CG2-CG2 3.97Å; I919-T923 PolarHBondContact O-N 3.48Å; I919-T923 PolarHBondContact O-OG1 2.99Å; I919-T923 VanDerWaalsContact O-OG1 3.07Å |
| 920 | M | 96.6 | Very high | 94.6 | Very high | 98 Ų | 98 | 75 Ų | 75 | 48% | 0.483 | 41% | 0.409 | S | S | . | . | H | α-helix | trans | -62.5 | -37.6 | -179.1 | -172 | 170 | 59.1 | 0 | 0 | 113 | V916 N917 L922 M924 | V916-M920 WeakPolarHBondContact O-CB 3.15Å; V916-M920 PolarHBondContact O-N 3.12Å; N917-M920 PolarHBondContact O-N 3.49Å; N917-M920 WeakPolarHBondContact OD1-CE 3.32Å; M920-L922 PolarHBondContact O-N 2.79Å; M920-M924 HydrophobicContact CG-CG 3.99Å; M920-M924 VanDerWaalsContact O-CB 3.31Å; M920-M924 WeakPolarHBondContact O-CB 3.3Å; M920-M924 WeakPolarHBondContact O-CG 3.28Å; M920-M924 PolarHBondContact O-N 3.11Å |
| 921 | E | 95.2 | Very high | 94.5 | Very high | 96 Ų | 96 | 73 Ų | 73 | 45% | 0.449 | 40% | 0.399 | S | S | . | . | H | α-helix | trans | -64 | -27.5 | 172.2 | -173.7 | -176.4 | 152.6 | 0 | 0 | 112.4 | N911 N917 I919 | N911-E921 PolarHBondContact ND2-OE2 3.13Å; N917-E921 WeakPolarHBondContact O-CB 3.29Å; N917-E921 PolarHBondContact O-N 3.48Å; I919-E921 PolarHBondContact O-N 2.89Å |
| 922 | L | 95.5 | Very high | 94.5 | Very high | 22 Ų | 22 | 76.8 Ų | 76.8 | 12% | 0.115 | 42% | 0.419 | C | S | . | . | H | α-helix | trans | -98.9 | -14.8 | -174 | -67.5 | 175.3 | 0 | 0 | 0 | 114.9 | V893 A897 V899 K903 A907 A918 I919 M920 | V893-L922 HydrophobicContact CG1-CD1 3.47Å; V893-L922 VanDerWaalsContact CG1-CD1 3.47Å; A897-L922 HydrophobicContact CB-CB 3.65Å; A897-L922 HydrophobicContact CB-CD1 4.27Å; V899-L922 HydrophobicContact CG1-CB 4.24Å; V899-L922 HydrophobicContact CG1-CD1 4.19Å; V899-L922 HydrophobicContact CG1-CD2 4.32Å; V899-L922 HydrophobicContact CG2-CD1 3.92Å; K903-L922 HydrophobicContact CD-CD2 3.84Å; K903-L922 HydrophobicContact CG-CD2 3.81Å; A907-L922 HydrophobicContact CB-CD1 3.47Å; A907-L922 VanDerWaalsContact CB-CD1 3.47Å; A907-L922 HydrophobicContact CB-CD2 4.13Å; A907-L922 HydrophobicContact CB-CG 3.82Å; A918-L922 WeakPolarHBondContact O-CB 3.34Å; A918-L922 WeakPolarHBondContact O-CD1 3.16Å; A918-L922 WeakPolarHBondContact O-CG 3.06Å; A918-L922 PolarHBondContact O-N 3.28Å; I919-L922 CarbonylContact O-C 3.54Å; I919-L922 WeakPolarHBondContact O-CA 3.27Å; I919-L922 PolarHBondContact O-N 2.89Å; M920-L922 PolarHBondContact O-N 2.79Å |
| 923 | T | 92.9 | Very high | 94.5 | Very high | 80 Ų | 80 | 73.8 Ų | 73.8 | 49% | 0.491 | 39% | 0.389 | S | S | . | . | H | α-helix | trans | -111.8 | 3.2 | -179.7 | 61.4 | 0 | 0 | 0 | 0 | 114.8 | A897 I919 | A897-T923 HydrophobicContact CB-CG2 3.66Å; I919-T923 HydrophobicContact CG2-CG2 3.97Å; I919-T923 PolarHBondContact O-N 3.48Å; I919-T923 PolarHBondContact O-OG1 2.99Å; I919-T923 VanDerWaalsContact O-OG1 3.07Å |
| 924 | M | 82.3 | Confident | 94.6 | Very high | 208 Ų | 208 | 75.4 Ų | 75.4 | 100% | 1.025 | 40% | 0.397 | S | S | * | . | | | trans | -104.2 | 0 | 179 | -70.7 | -68.6 | -57.5 | 0 | 0 | 112.2 | M920 | M920-M924 HydrophobicContact CG-CG 3.99Å; M920-M924 VanDerWaalsContact O-CB 3.31Å; M920-M924 WeakPolarHBondContact O-CB 3.3Å; M920-M924 WeakPolarHBondContact O-CG 3.28Å; M920-M924 PolarHBondContact O-N 3.11Å |