| 1 | M | 59.3 | Low | 55.1 | Low | 235 Ų | 235 | 171.1 Ų | 171.1 | 100% | 1.158 | 79% | 0.788 | S | S | * | * | | | | 0 | 61.2 | 0 | -172.2 | -155.5 | -63.4 | 0 | 0 | 110.5 | | |
| 2 | L | 46.9 | Very low | 54.8 | Low | 97 Ų | 97 | 165.3 Ų | 165.3 | 51% | 0.508 | 79% | 0.792 | S | S | . | * | | | trans | -163.5 | 48 | 166.9 | -138.2 | 70.9 | 0 | 0 | 0 | 113.8 | | |
| 3 | R | 49.3 | Very low | 54.4 | Low | 149 Ų | 149 | 157.6 Ų | 157.6 | 56% | 0.562 | 78% | 0.783 | S | S | * | * | | | trans | -130.4 | 101.1 | 153.6 | -68.1 | -172.7 | -176.6 | -158.8 | -4 | 104.4 | V214 K215 | R3-V214 HydrophobicContact CG-CB 4.45Å; R3-V214 HydrophobicContact CG-CG1 3.76Å; R3-V214 HydrophobicContact CG-CG2 3.89Å; R3-K215 VanDerWaalsContact CZ-O 3.23Å; R3-K215 PolarHBondContact NH1-O 3.24Å; R3-K215 PolarHBondContact NH2-O 2.97Å |
| 4 | A | 56.1 | Low | 54.2 | Low | 72 Ų | 72 | 158.8 Ų | 158.8 | 60% | 0.595 | 79% | 0.791 | S | S | * | * | | | | 60.8 | 95 | 87.2 | 0 | 0 | 0 | 0 | 0 | 109.5 | | |
| 5 | L | 55.9 | Low | 53.6 | Low | 169 Ų | 169 | 152.1 Ų | 152.1 | 89% | 0.885 | 78% | 0.779 | S | S | * | * | | | | 55.7 | 89.9 | 87.4 | -74.3 | 159.5 | 0 | 0 | 0 | 111.6 | | |
| 6 | Q | 58.7 | Low | 53.3 | Low | 175 Ų | 175 | 152.6 Ų | 152.6 | 82% | 0.818 | 78% | 0.784 | S | S | * | * | | | trans | -165.5 | 75.7 | 135 | -160.8 | 62.3 | 8.8 | 0 | 0 | 113.8 | | |
| 7 | Q | 55.9 | Low | 52.9 | Low | 199 Ų | 199 | 151.6 Ų | 151.6 | 93% | 0.93 | 79% | 0.787 | S | S | * | * | | | trans | -170.2 | 81.8 | 143.6 | -107.5 | 160.2 | 6.2 | 0 | 0 | 112.1 | | |
| 8 | R | 54.2 | Low | 53.1 | Low | 250 Ų | 250 | 150.4 Ų | 150.4 | 94% | 0.943 | 79% | 0.79 | S | S | * | * | | | trans | -111.3 | 104 | 158.6 | -176.3 | -169.5 | -116.5 | -169.6 | -1.1 | 107.4 | | |
| 9 | K | 59.2 | Low | 52.4 | Low | 169 Ų | 169 | 148.1 Ų | 148.1 | 74% | 0.735 | 79% | 0.787 | S | S | * | * | | | trans | -125.5 | 105.7 | 167.2 | -166.9 | 170.5 | 179.8 | -168.3 | 0 | 105 | | |
| 10 | R | 57.6 | Low | 52.5 | Low | 198 Ų | 198 | 147.7 Ų | 147.7 | 75% | 0.747 | 79% | 0.785 | S | S | * | * | | | | 60.4 | 129.3 | 99.9 | -60.2 | -175.2 | -159.5 | 168.5 | 2 | 109.9 | | |
| 11 | E | 53.1 | Low | 52.4 | Low | 169 Ų | 169 | 148.4 Ų | 148.4 | 79% | 0.79 | 78% | 0.784 | S | S | * | * | | | cis | -144.5 | 142.1 | 24.3 | -65.7 | 177.8 | 176.1 | 0 | 0 | 107.7 | | |
| 12 | A | 51 | Low | 51.8 | Low | 101 Ų | 101 | 144.6 Ų | 144.6 | 84% | 0.835 | 77% | 0.768 | S | S | * | * | | | | 83.3 | 140.5 | 63.2 | 0 | 0 | 0 | 0 | 0 | 113.9 | | |
| 13 | G | 50.7 | Low | 52.4 | Low | 66 Ų | 66 | 148.6 Ų | 148.6 | 68% | 0.68 | 78% | 0.784 | S | S | * | * | | | trans | 90.8 | 112.7 | -164.1 | 0 | 0 | 0 | 0 | 0 | 111.2 | | |
| 14 | I | 50.7 | Low | 52 | Low | 174 Ų | 174 | 145.6 Ų | 145.6 | 89% | 0.892 | 79% | 0.791 | S | S | * | * | | | cis | 71.2 | 120.8 | 15.8 | -46.4 | 176 | 0 | 0 | 0 | 113.9 | | |
| 15 | G | 45.7 | Very low | 51.9 | Low | 59 Ų | 59 | 147.5 Ų | 147.5 | 61% | 0.608 | 81% | 0.807 | S | S | * | * | | | trans | 81.6 | 146.4 | 175.4 | 0 | 0 | 0 | 0 | 0 | 114.7 | | |
| 16 | D | 48.9 | Very low | 51.3 | Low | 159 Ų | 159 | 142.9 Ų | 142.9 | 85% | 0.85 | 80% | 0.8 | S | S | * | * | | | cis | -155.1 | 164.2 | -18.9 | -96.9 | -52.5 | 0 | 0 | 0 | 108.5 | P18 | D16-P18 WeakPolarHBondContact O-CD 3.45Š|
| 17 | T | 45.9 | Very low | 50.7 | Low | 137 Ų | 137 | 142.6 Ų | 142.6 | 84% | 0.84 | 80% | 0.799 | S | S | * | * | | | trans | -99.8 | 100.6 | 173.6 | 51.1 | 0 | 0 | 0 | 0 | 111.5 | S19 | T17-S19 PolarHBondContact O-N 2.88Š|
| 18 | P | 57.2 | Low | 50.4 | Low | 129 Ų | 129 | 138.6 Ų | 138.6 | 84% | 0.838 | 79% | 0.787 | S | S | * | * | | | trans | -78.8 | 108.9 | 166 | 31.4 | -31.6 | 0 | 0 | 0 | 109.6 | D16 | D16-P18 WeakPolarHBondContact O-CD 3.45Š|
| 19 | S | 40.2 | Very low | 50.2 | Low | 106 Ų | 106 | 131.1 Ų | 131.1 | 74% | 0.741 | 77% | 0.77 | S | S | * | * | | | trans | -92.3 | 130.9 | 153 | 164.7 | 0 | 0 | 0 | 0 | 107.3 | T17 | T17-S19 PolarHBondContact O-N 2.88Š|
| 20 | L | 53 | Low | 49.6 | Very low | 141 Ų | 141 | 132 Ų | 132 | 74% | 0.738 | 78% | 0.776 | S | S | * | * | | | trans | 162 | 174.9 | 148.8 | -90.3 | 160.6 | 0 | 0 | 0 | 110.7 | | |
| 21 | E | 52 | Low | 48.9 | Very low | 163 Ų | 163 | 126.4 Ų | 126.4 | 76% | 0.762 | 77% | 0.773 | S | S | * | * | | | trans | 53.7 | 97.3 | 160.8 | -66.3 | 133.2 | -130.5 | 0 | 0 | 115.4 | | |
| 22 | D | 46.5 | Very low | 48.4 | Very low | 154 Ų | 154 | 129 Ų | 129 | 82% | 0.824 | 78% | 0.776 | S | S | * | * | | | cis | 51.2 | 97.3 | 47.6 | -157.4 | 42.7 | 0 | 0 | 0 | 113.5 | | |
| 23 | E | 58 | Low | 48.5 | Very low | 181 Ų | 181 | 133 Ų | 133 | 85% | 0.846 | 78% | 0.779 | S | S | * | * | | | trans | -155.4 | 151.4 | 154.7 | -109.5 | -56.1 | 165.6 | 0 | 0 | 109.4 | | |
| 24 | A | 40.7 | Very low | 48.5 | Very low | 86 Ų | 86 | 135.7 Ų | 135.7 | 71% | 0.711 | 78% | 0.782 | S | S | * | * | | | trans | -129.9 | 120 | -162.6 | 0 | 0 | 0 | 0 | 0 | 113.8 | | |
| 25 | A | 55.2 | Low | 48.6 | Very low | 112 Ų | 112 | 132.3 Ų | 132.3 | 93% | 0.926 | 77% | 0.774 | S | S | * | * | | | trans | -145.1 | 136.7 | 165.2 | 0 | 0 | 0 | 0 | 0 | 111.5 | | |
| 26 | G | 43.8 | Very low | 48.9 | Very low | 73 Ų | 73 | 138.5 Ų | 138.5 | 75% | 0.753 | 78% | 0.784 | S | S | * | * | | | cis | 150.1 | 55.8 | -3.9 | 0 | 0 | 0 | 0 | 0 | 115.2 | | |
| 27 | H | 44.7 | Very low | 48.6 | Very low | 169 Ų | 169 | 136.1 Ų | 136.1 | 78% | 0.782 | 78% | 0.78 | S | S | * | * | | | trans | -159.8 | 99.1 | 172.1 | -155.5 | -91 | 0 | 0 | 0 | 109.9 | | |
| 28 | V | 51.1 | Low | 48.9 | Very low | 114 Ų | 114 | 138.8 Ų | 138.8 | 69% | 0.691 | 78% | 0.78 | S | S | * | * | | | | 59.3 | 113.6 | 78.9 | -172.9 | 0 | 0 | 0 | 0 | 109.8 | | |
| 29 | T | 49.2 | Very low | 48.2 | Very low | 94 Ų | 94 | 139.9 Ų | 139.9 | 58% | 0.577 | 78% | 0.779 | S | S | * | * | | | | -172.2 | 124.9 | 73.9 | -48.6 | 0 | 0 | 0 | 0 | 112.6 | | |
| 30 | Q | 46.1 | Very low | 48.3 | Very low | 186 Ų | 186 | 138.3 Ų | 138.3 | 87% | 0.869 | 78% | 0.779 | S | S | * | * | | | trans | 57.1 | 154.4 | 154.7 | -64.7 | -179 | 74.7 | 0 | 0 | 120.2 | | |
| 31 | A | 43.7 | Very low | 47.8 | Very low | 82 Ų | 82 | 139 Ų | 139 | 68% | 0.678 | 79% | 0.789 | S | S | * | * | | | cis | -147.6 | 132.1 | -2.3 | 0 | 0 | 0 | 0 | 0 | 109.1 | | |
| 32 | R | 42.9 | Very low | 47.3 | Very low | 224 Ų | 224 | 134.1 Ų | 134.1 | 85% | 0.845 | 78% | 0.782 | S | S | * | * | | | | 78.8 | 101.4 | 81.4 | -172.1 | -167.4 | -177.7 | 176.6 | 2.8 | 116.4 | | |
| 33 | M | 51.2 | Low | 47.4 | Very low | 183 Ų | 183 | 132.2 Ų | 132.2 | 90% | 0.901 | 78% | 0.781 | S | S | * | * | | | trans | -164.9 | 123.2 | 131.3 | -65.1 | -150.8 | -160.1 | 0 | 0 | 106.2 | | |
| 34 | V | 50.8 | Low | 47.3 | Very low | 123 Ų | 123 | 130.4 Ų | 130.4 | 75% | 0.745 | 78% | 0.778 | S | S | * | * | | | | 64.4 | 122.8 | 62.3 | -175.3 | 0 | 0 | 0 | 0 | 111.1 | | |
| 35 | S | 54.5 | Low | 48 | Very low | 103 Ų | 103 | 131.8 Ų | 131.8 | 72% | 0.72 | 77% | 0.773 | S | S | * | * | | | cis | -150.6 | 140.8 | 17.6 | 29.9 | 0 | 0 | 0 | 0 | 112.6 | | |
| 36 | K | 50.5 | Low | 48 | Very low | 190 Ų | 190 | 134.3 Ų | 134.3 | 83% | 0.826 | 76% | 0.763 | S | S | * | * | | | | 53.7 | 103.6 | 99.4 | -160.2 | -176.3 | -176.6 | 179.5 | 0 | 114.5 | | |
| 37 | S | 43.7 | Very low | 48 | Very low | 109 Ų | 109 | 140.5 Ų | 140.5 | 76% | 0.762 | 77% | 0.769 | S | S | * | * | | | cis | 83.6 | 127.9 | 43.9 | 83.9 | 0 | 0 | 0 | 0 | 116.7 | | |
| 38 | K | 52.8 | Low | 48.3 | Very low | 193 Ų | 193 | 137.5 Ų | 137.5 | 84% | 0.839 | 77% | 0.774 | S | S | * | * | | | | -174.4 | 156.7 | 124.8 | -167 | 154.6 | -175.9 | 176.6 | 0 | 112.5 | | |
| 39 | D | 40.9 | Very low | 48 | Very low | 152 Ų | 152 | 142.2 Ų | 142.2 | 81% | 0.813 | 79% | 0.785 | S | S | * | * | | | trans | -92.1 | 170.3 | -171.2 | -29.1 | -101.8 | 0 | 0 | 0 | 114.6 | | |
| 40 | G | 43.8 | Very low | 47.7 | Very low | 72 Ų | 72 | 141.2 Ų | 141.2 | 74% | 0.742 | 79% | 0.793 | S | S | * | * | | | trans | 159.7 | 105.6 | 155.5 | 0 | 0 | 0 | 0 | 0 | 119 | | |
| 41 | T | 40.8 | Very low | 48 | Very low | 155 Ų | 155 | 136.3 Ų | 136.3 | 95% | 0.951 | 78% | 0.784 | S | S | * | * | | | trans | -5.7 | 146.8 | 141.8 | -37 | 0 | 0 | 0 | 0 | 118.3 | | |
| 42 | G | 41.8 | Very low | 48.3 | Very low | 61 Ų | 61 | 140.4 Ų | 140.4 | 63% | 0.629 | 80% | 0.795 | S | S | * | * | | | cis | 171.1 | -161.1 | 5.1 | 0 | 0 | 0 | 0 | 0 | 110.9 | | |
| 43 | S | 49.1 | Very low | 48.5 | Very low | 115 Ų | 115 | 133.1 Ų | 133.1 | 80% | 0.804 | 79% | 0.789 | S | S | * | * | | | trans | 66.4 | 150.5 | -175.9 | -75.5 | 0 | 0 | 0 | 0 | 115.2 | | |
| 44 | D | 55.4 | Low | 48.4 | Very low | 143 Ų | 143 | 134.5 Ų | 134.5 | 77% | 0.765 | 79% | 0.79 | S | S | * | * | | | cis | -170.9 | 173 | -12.7 | -105.9 | -41.2 | 0 | 0 | 0 | 107.6 | | |
| 45 | D | 55.8 | Low | 48 | Very low | 114 Ų | 114 | 134.9 Ų | 134.9 | 61% | 0.61 | 79% | 0.794 | S | S | * | * | | | cis | -167.9 | -177.2 | -6 | 166.7 | 31.7 | 0 | 0 | 0 | 107.1 | | |
| 46 | K | 56.4 | Low | 47.9 | Very low | 165 Ų | 165 | 140 Ų | 140 | 72% | 0.717 | 80% | 0.803 | S | S | * | * | | | trans | 77.4 | 88.5 | 161.7 | -75.7 | 162.1 | -170.7 | 84.4 | 0 | 120.8 | | |
| 47 | K | 43.6 | Very low | 47.6 | Very low | 204 Ų | 204 | 138.2 Ų | 138.2 | 89% | 0.887 | 80% | 0.801 | S | S | * | * | | | | 58.8 | 106.5 | 107 | -173.6 | -172 | 178.2 | -178.5 | 0 | 120.4 | | |
| 48 | A | 50.6 | Low | 47.5 | Very low | 106 Ų | 106 | 137.7 Ų | 137.7 | 88% | 0.876 | 80% | 0.803 | S | S | * | * | | | trans | -149.7 | 170.1 | 139.8 | 0 | 0 | 0 | 0 | 0 | 110.1 | | |
| 49 | K | 45.3 | Very low | 47.3 | Very low | 212 Ų | 212 | 134.5 Ų | 134.5 | 92% | 0.922 | 80% | 0.8 | S | S | * | * | | | trans | -134.9 | 135 | -162.1 | 179.9 | -176.7 | 176.3 | -175.5 | 0 | 114.8 | | |
| 50 | G | 42.8 | Very low | 47.3 | Very low | 73 Ų | 73 | 132.5 Ų | 132.5 | 75% | 0.753 | 80% | 0.795 | S | S | * | * | | | trans | 96.2 | 157.2 | 165 | 0 | 0 | 0 | 0 | 0 | 114.8 | | |
| 51 | A | 51.9 | Low | 47.1 | Very low | 83 Ų | 83 | 140.5 Ų | 140.5 | 69% | 0.686 | 80% | 0.802 | S | S | * | * | | | cis | -165.5 | 152.6 | -19.9 | 0 | 0 | 0 | 0 | 0 | 108.4 | | |
| 52 | D | 49.2 | Very low | 47 | Very low | 168 Ų | 168 | 137.3 Ų | 137.3 | 90% | 0.898 | 80% | 0.801 | S | S | * | * | | | trans | 57.8 | 136.3 | 162.3 | -56.6 | -49.6 | 0 | 0 | 0 | 121.8 | | |
| 53 | G | 48.1 | Very low | 47 | Very low | 71 Ų | 71 | 139.1 Ų | 139.1 | 73% | 0.732 | 81% | 0.81 | S | S | * | * | | | trans | 125.8 | 74.9 | 142.2 | 0 | 0 | 0 | 0 | 0 | 120.1 | | |
| 54 | K | 48.8 | Very low | 47 | Very low | 212 Ų | 212 | 138.3 Ų | 138.3 | 92% | 0.922 | 81% | 0.81 | S | S | * | * | | | trans | 52.9 | 101.4 | 153.8 | -72.6 | 177.4 | 176.3 | 169.9 | 0 | 118.8 | | |
| 55 | T | 43.1 | Very low | 47.2 | Very low | 132 Ų | 132 | 137 Ų | 137 | 81% | 0.81 | 81% | 0.81 | S | S | * | * | | | trans | -73 | 126.8 | 156.7 | 40.2 | 0 | 0 | 0 | 0 | 112.6 | | |
| 56 | K | 51 | Low | 46.7 | Very low | 211 Ų | 211 | 137.7 Ų | 137.7 | 92% | 0.917 | 82% | 0.82 | S | S | * | * | | | trans | -142.1 | 112.8 | 140 | -80.5 | -152.2 | 174.3 | -169.3 | 0 | 108.8 | | |
| 57 | I | 44.3 | Very low | 46.1 | Very low | 152 Ų | 152 | 133.6 Ų | 133.6 | 78% | 0.779 | 83% | 0.825 | S | S | * | * | P | Polyproline II helix | trans | -76.9 | 134.9 | -176.9 | -65.9 | 167.7 | 0 | 0 | 0 | 109.4 | | |
| 58 | A | 41.3 | Very low | 46.4 | Very low | 97 Ų | 97 | 133.1 Ų | 133.1 | 80% | 0.802 | 83% | 0.826 | S | S | * | * | P | Polyproline II helix | trans | -95.9 | 117.9 | 170.8 | 0 | 0 | 0 | 0 | 0 | 109.9 | | |
| 59 | T | 49.9 | Very low | 46.1 | Very low | 127 Ų | 127 | 137.9 Ų | 137.9 | 78% | 0.779 | 83% | 0.827 | S | S | * | * | P | Polyproline II helix | trans | -97.2 | 129.4 | 176.8 | -47.9 | 0 | 0 | 0 | 0 | 109.8 | | |
| 60 | P | 41.5 | Very low | 45.8 | Very low | 109 Ų | 109 | 131.7 Ų | 131.7 | 71% | 0.708 | 82% | 0.823 | S | S | * | * | P | Polyproline II helix | trans | -88.6 | 171.2 | -172.2 | 35.6 | -37.5 | 0 | 0 | 0 | 114.2 | | |
| 61 | R | 37.9 | Very low | 45.9 | Very low | 240 Ų | 240 | 137.5 Ų | 137.5 | 91% | 0.906 | 83% | 0.831 | S | S | * | * | | | trans | 57.5 | 89.2 | 163.4 | -77.9 | 179.4 | 162.2 | 155.7 | -5.5 | 116.9 | | |
| 62 | G | 40.1 | Very low | 45.4 | Very low | 89 Ų | 89 | 137.8 Ų | 137.8 | 92% | 0.918 | 83% | 0.833 | S | S | * | * | | | trans | -80.5 | 115.6 | 144.8 | 0 | 0 | 0 | 0 | 0 | 110.1 | | |
| 63 | A | 40.2 | Very low | 45 | Very low | 99 Ų | 99 | 138 Ų | 138 | 82% | 0.818 | 83% | 0.834 | S | S | * | * | | | trans | -122.6 | 123.8 | 168.3 | 0 | 0 | 0 | 0 | 0 | 108.2 | | |
| 64 | A | 49.1 | Very low | 44.9 | Very low | 97 Ų | 97 | 139.2 Ų | 139.2 | 80% | 0.802 | 84% | 0.837 | S | S | * | * | | | trans | -127.2 | 129.5 | -176.2 | 0 | 0 | 0 | 0 | 0 | 110.5 | | |
| 65 | P | 60.1 | Low | 45.2 | Very low | 117 Ų | 117 | 135.8 Ų | 135.8 | 76% | 0.76 | 83% | 0.834 | S | S | * | * | P | Polyproline II helix | trans | -74 | 162.7 | 173 | 31.9 | -34.4 | 0 | 0 | 0 | 111.6 | | |
| 66 | P | 46 | Very low | 45.2 | Very low | 127 Ų | 127 | 140.6 Ų | 140.6 | 83% | 0.825 | 84% | 0.837 | S | S | * | * | P | Polyproline II helix | trans | -68 | 142.6 | -175.3 | 27.7 | -35.5 | 0 | 0 | 0 | 112.9 | | |
| 67 | G | 42.7 | Very low | 45.4 | Very low | 80 Ų | 80 | 138 Ų | 138 | 83% | 0.825 | 83% | 0.832 | S | S | * | * | P | Polyproline II helix | trans | -67.8 | 137.7 | -177.2 | 0 | 0 | 0 | 0 | 0 | 113.9 | | |
| 68 | Q | 50.8 | Low | 45.4 | Very low | 194 Ų | 194 | 136.4 Ų | 136.4 | 91% | 0.907 | 83% | 0.831 | S | S | * | * | P | Polyproline II helix | trans | -73.7 | 150.5 | 169.5 | -71 | 179.6 | -25.1 | 0 | 0 | 111 | | |
| 69 | K | 43.3 | Very low | 45.5 | Very low | 205 Ų | 205 | 136.2 Ų | 136.2 | 89% | 0.891 | 83% | 0.83 | S | S | * | * | P | Polyproline II helix | trans | -73.2 | 135.4 | -176.7 | -64.1 | 178.3 | 179.8 | 178.2 | 0 | 111.1 | | |
| 70 | G | 39.9 | Very low | 45.3 | Very low | 82 Ų | 82 | 140 Ų | 140 | 85% | 0.845 | 84% | 0.836 | S | S | * | * | P | Polyproline II helix | trans | -67.8 | 147.9 | 174.3 | 0 | 0 | 0 | 0 | 0 | 113.1 | | |
| 71 | Q | 44.6 | Very low | 45.3 | Very low | 196 Ų | 196 | 141.1 Ų | 141.1 | 92% | 0.916 | 84% | 0.841 | S | S | * | * | P | Polyproline II helix | trans | -100.3 | 129.1 | 173.2 | -57.9 | 167.4 | -53.8 | 0 | 0 | 109.5 | | |
| 72 | A | 42.7 | Very low | 45.7 | Very low | 89 Ų | 89 | 135.3 Ų | 135.3 | 74% | 0.736 | 83% | 0.834 | S | S | * | * | | | trans | 175.1 | 101.9 | 149.1 | 0 | 0 | 0 | 0 | 0 | 111.9 | | |
| 73 | N | 39.4 | Very low | 46 | Very low | 171 Ų | 171 | 136.3 Ų | 136.3 | 91% | 0.914 | 82% | 0.824 | S | S | * | * | | | trans | 155.5 | 104.1 | 136.6 | -83.7 | -26 | 0 | 0 | 0 | 110.4 | | |
| 74 | A | 46.2 | Very low | 46.2 | Very low | 97 Ų | 97 | 136.4 Ų | 136.4 | 80% | 0.802 | 83% | 0.825 | S | S | * | * | | | trans | -131.7 | 93.6 | 174 | 0 | 0 | 0 | 0 | 0 | 109.2 | R76 | A74-R76 PolarHBondContact O-N 2.64Š|
| 75 | T | 54.6 | Low | 46 | Very low | 140 Ų | 140 | 137 Ų | 137 | 86% | 0.859 | 82% | 0.82 | S | S | * | * | | | trans | -67.8 | 115.2 | 177 | -53.8 | 0 | 0 | 0 | 0 | 109.6 | | |
| 76 | R | 44.7 | Very low | 45.1 | Very low | 233 Ų | 233 | 140 Ų | 140 | 88% | 0.879 | 82% | 0.822 | S | S | * | * | | | trans | -108.3 | 116.2 | -168.5 | -159.8 | -177 | -160.6 | -143.3 | 7.6 | 110.8 | A74 | A74-R76 PolarHBondContact O-N 2.64Š|
| 77 | I | 54.9 | Low | 44.9 | Very low | 157 Ų | 157 | 140 Ų | 140 | 81% | 0.805 | 82% | 0.82 | S | S | * | * | | | trans | -118.3 | 126.9 | 174.5 | -57.9 | -179.5 | 0 | 0 | 0 | 108.9 | | |
| 78 | P | 44.8 | Very low | 45.4 | Very low | 118 Ų | 118 | 141.6 Ų | 141.6 | 77% | 0.766 | 82% | 0.815 | S | S | * | * | | | trans | -113.7 | 137.7 | -172.4 | 38.2 | -30.7 | 0 | 0 | 0 | 115.9 | | |
| 79 | A | 43 | Very low | 45.1 | Very low | 93 Ų | 93 | 138.2 Ų | 138.2 | 77% | 0.769 | 81% | 0.81 | S | S | * | * | | | trans | -159.4 | 113.9 | 158.3 | 0 | 0 | 0 | 0 | 0 | 109.6 | | |
| 80 | K | 44.2 | Very low | 44.8 | Very low | 207 Ų | 207 | 134.1 Ų | 134.1 | 90% | 0.9 | 81% | 0.807 | S | S | * | * | | | | 83.6 | 99.4 | 92.7 | -76.5 | -173.6 | 175.5 | -176.2 | 0 | 116.2 | | |
| 81 | T | 41.4 | Very low | 44.9 | Very low | 133 Ų | 133 | 136.1 Ų | 136.1 | 82% | 0.816 | 81% | 0.808 | S | S | * | * | | | trans | -67.7 | 172 | 157.5 | -0.8 | 0 | 0 | 0 | 0 | 111.7 | | |
| 82 | P | 46.4 | Very low | 44.5 | Very low | 117 Ų | 117 | 130 Ų | 130 | 76% | 0.76 | 80% | 0.799 | S | S | * | * | | | | -149.6 | -145.7 | 60.4 | 48.5 | -24.7 | 0 | 0 | 0 | 114.4 | | |
| 83 | P | 48 | Very low | 44.5 | Very low | 111 Ų | 111 | 134.9 Ų | 134.9 | 72% | 0.721 | 81% | 0.806 | S | S | * | * | | | | -140.7 | 141.9 | -122.6 | 37 | -12.1 | 0 | 0 | 0 | 121.2 | | |
| 84 | A | 44.3 | Very low | 44.8 | Very low | 100 Ų | 100 | 132.5 Ų | 132.5 | 83% | 0.826 | 80% | 0.8 | S | S | * | * | | | trans | 62.7 | -177.5 | 152.7 | 0 | 0 | 0 | 0 | 0 | 117.7 | | |
| 85 | P | 43.5 | Very low | 44.8 | Very low | 109 Ų | 109 | 132.6 Ų | 132.6 | 71% | 0.708 | 79% | 0.792 | S | S | * | * | | | cis | -138.6 | 168.6 | -6.1 | 42.8 | -25.3 | 0 | 0 | 0 | 118.7 | | |
| 86 | K | 41.1 | Very low | 44.1 | Very low | 181 Ų | 181 | 135.7 Ų | 135.7 | 79% | 0.787 | 79% | 0.794 | S | S | * | * | | | trans | 72.3 | 105 | 143.7 | -78.6 | 169.9 | -179.3 | -178.8 | 0 | 124.8 | | |
| 87 | T | 42.9 | Very low | 44 | Very low | 128 Ų | 128 | 130.5 Ų | 130.5 | 79% | 0.785 | 79% | 0.793 | S | S | * | * | | | | 58 | 165.8 | 121.9 | 60.5 | 0 | 0 | 0 | 0 | 123.3 | | |
| 88 | P | 52.2 | Low | 43.4 | Very low | 112 Ų | 112 | 126.2 Ų | 126.2 | 73% | 0.727 | 79% | 0.787 | S | S | * | * | | | | -129.4 | -173.6 | -55.5 | 41.3 | -24.4 | 0 | 0 | 0 | 111.3 | | |
| 89 | P | 44.9 | Very low | 43.4 | Very low | 123 Ų | 123 | 127 Ų | 127 | 80% | 0.799 | 79% | 0.785 | S | S | * | * | | | | -159.2 | 175.9 | 95.6 | 41.6 | -22.5 | 0 | 0 | 0 | 117 | | |
| 90 | S | 36.3 | Very low | 43.4 | Very low | 119 Ų | 119 | 133.5 Ų | 133.5 | 83% | 0.832 | 79% | 0.79 | S | S | * | * | | | trans | 141.9 | 109.4 | 131.1 | -171.7 | 0 | 0 | 0 | 0 | 116.3 | | |
| 91 | S | 42.3 | Very low | 43.1 | Very low | 124 Ų | 124 | 128.8 Ų | 128.8 | 87% | 0.867 | 78% | 0.783 | S | S | * | * | | | trans | -170.4 | 140 | 161.5 | 56.1 | 0 | 0 | 0 | 0 | 108.4 | | |
| 92 | G | 37.5 | Very low | 42.9 | Very low | 69 Ų | 69 | 126.1 Ų | 126.1 | 71% | 0.711 | 78% | 0.782 | S | S | * | * | | | cis | 165.3 | 127.8 | -7 | 0 | 0 | 0 | 0 | 0 | 110.4 | | |
| 93 | E | 41.6 | Very low | 42.8 | Very low | 190 Ų | 190 | 130.4 Ų | 130.4 | 89% | 0.888 | 79% | 0.785 | S | S | * | * | | | trans | 63.1 | 172 | 177 | -62.1 | -157.5 | 85.7 | 0 | 0 | 116.6 | | |
| 94 | P | 45.5 | Very low | 42.5 | Very low | 121 Ų | 121 | 129.7 Ų | 129.7 | 79% | 0.786 | 78% | 0.782 | S | S | * | * | | | cis | -124.4 | -178.1 | -2.5 | 38.9 | -21.1 | 0 | 0 | 0 | 115.6 | | |
| 95 | P | 47.3 | Very low | 42.8 | Very low | 100 Ų | 100 | 130.3 Ų | 130.3 | 65% | 0.649 | 78% | 0.781 | S | S | * | * | | | trans | -117 | 169.8 | -170.4 | 41.5 | -33.2 | 0 | 0 | 0 | 117.7 | | |
| 96 | K | 40 | Very low | 42.9 | Very low | 205 Ų | 205 | 131.3 Ų | 131.3 | 89% | 0.891 | 79% | 0.787 | S | S | * | * | | | trans | 73.6 | 151.6 | 175.7 | -52.8 | 169.6 | -176.6 | 171.1 | 0 | 113.8 | | |
| 97 | S | 42.7 | Very low | 42.9 | Very low | 124 Ų | 124 | 126.3 Ų | 126.3 | 87% | 0.867 | 79% | 0.787 | S | S | * | * | | | cis | -151.3 | 175.2 | -3.7 | 42.4 | 0 | 0 | 0 | 0 | 107 | | |
| 98 | G | 42.7 | Very low | 42.9 | Very low | 66 Ų | 66 | 126.3 Ų | 126.3 | 68% | 0.68 | 79% | 0.792 | S | S | * | * | | | cis | 146.6 | 141.4 | 6.4 | 0 | 0 | 0 | 0 | 0 | 109.9 | | |
| 99 | D | 43.5 | Very low | 42.8 | Very low | 135 Ų | 135 | 127 Ų | 127 | 72% | 0.722 | 80% | 0.797 | S | S | * | * | | | trans | 70.5 | 121.3 | 168.7 | -82.2 | -69.3 | 0 | 0 | 0 | 123 | | |
| 100 | R | 43.6 | Very low | 43.1 | Very low | 229 Ų | 229 | 124.4 Ų | 124.4 | 86% | 0.864 | 79% | 0.792 | S | S | * | * | | | trans | 70.8 | 158.5 | 134.7 | -67.3 | 168.7 | -175.1 | -158.5 | -8.9 | 119.2 | | |
| 101 | S | 38.6 | Very low | 44 | Very low | 108 Ų | 108 | 125.9 Ų | 125.9 | 76% | 0.755 | 80% | 0.796 | S | S | * | * | | | cis | -144 | 167.1 | 10.2 | 70.3 | 0 | 0 | 0 | 0 | 113.2 | | |
| 102 | G | 36.3 | Very low | 44.3 | Very low | 78 Ų | 78 | 125.4 Ų | 125.4 | 80% | 0.804 | 79% | 0.79 | S | S | * | * | | | trans | -149 | 135.5 | 163.4 | 0 | 0 | 0 | 0 | 0 | 110.9 | | |
| 103 | Y | 45 | Very low | 45 | Very low | 206 Ų | 206 | 124.4 Ų | 124.4 | 81% | 0.808 | 78% | 0.78 | S | S | * | * | | | trans | -151.2 | 173.1 | 179 | 76.6 | -87.2 | 0 | 0 | 0 | 111.3 | | |
| 104 | S | 41.6 | Very low | 45.5 | Very low | 96 Ų | 96 | 120.3 Ų | 120.3 | 67% | 0.671 | 77% | 0.772 | S | S | * | * | | | trans | 83.9 | 140.6 | -169.6 | -46.1 | 0 | 0 | 0 | 0 | 113.1 | | |
| 105 | S | 49.7 | Very low | 45.7 | Very low | 113 Ų | 113 | 125 Ų | 125 | 79% | 0.79 | 78% | 0.775 | S | S | * | * | | | cis | -149.5 | 173.7 | 8.5 | -114 | 0 | 0 | 0 | 0 | 113.5 | | |
| 106 | P | 45.8 | Very low | 45.9 | Very low | 130 Ų | 130 | 125.5 Ų | 125.5 | 84% | 0.844 | 78% | 0.78 | S | S | * | * | | | trans | -99.2 | -172.5 | -167.2 | 39.6 | -37.3 | 0 | 0 | 0 | 117.1 | | |
| 107 | G | 40.7 | Very low | 46.3 | Very low | 76 Ų | 76 | 126.7 Ų | 126.7 | 78% | 0.784 | 78% | 0.779 | S | S | * | * | | | trans | -150.9 | -175.7 | -176.2 | 0 | 0 | 0 | 0 | 0 | 117.9 | | |
| 108 | S | 42.6 | Very low | 46.6 | Very low | 128 Ų | 128 | 126.6 Ų | 126.6 | 90% | 0.895 | 77% | 0.773 | S | S | * | * | | | trans | -144.1 | 171.2 | -156.5 | -67.9 | 0 | 0 | 0 | 0 | 118.6 | | |
| 109 | P | 51.8 | Low | 47 | Very low | 127 Ų | 127 | 129.9 Ų | 129.9 | 83% | 0.825 | 78% | 0.783 | S | S | * | * | | | trans | -141 | -176.4 | -156.4 | 45 | -27.2 | 0 | 0 | 0 | 120.9 | | |
| 110 | G | 50.1 | Low | 46.9 | Very low | 68 Ų | 68 | 128.5 Ų | 128.5 | 70% | 0.701 | 78% | 0.784 | S | S | * | * | | | trans | 158.7 | 167.1 | 156.6 | 0 | 0 | 0 | 0 | 0 | 122.7 | | |
| 111 | T | 56.2 | Low | 47.5 | Very low | 150 Ų | 150 | 125 Ų | 125 | 92% | 0.92 | 78% | 0.781 | S | S | * | * | | | trans | 120.5 | 151.7 | 158.3 | 63.9 | 0 | 0 | 0 | 0 | 122.5 | | |
| 112 | P | 47.7 | Very low | 48.1 | Very low | 114 Ų | 114 | 126 Ų | 126 | 74% | 0.74 | 79% | 0.785 | S | S | * | * | | | trans | -134.4 | 179.1 | -148 | 46.2 | -30.9 | 0 | 0 | 0 | 121.3 | | |
| 113 | G | 52.6 | Low | 48.6 | Very low | 48 Ų | 48 | 127.7 Ų | 127.7 | 50% | 0.495 | 78% | 0.78 | S | S | . | * | | | trans | -154.9 | 176.3 | 170.8 | 0 | 0 | 0 | 0 | 0 | 115.1 | R127 | G113-R127 PolarHBondContact O-NH1 3.16Š|
| 114 | S | 51.4 | Low | 48.6 | Very low | 104 Ų | 104 | 123.4 Ų | 123.4 | 73% | 0.727 | 78% | 0.778 | S | S | * | * | | | trans | -104.8 | -173.4 | -164.9 | -141.7 | 0 | 0 | 0 | 0 | 113.7 | | |
| 115 | R | 50 | Low | 48.9 | Very low | 221 Ų | 221 | 124.4 Ų | 124.4 | 83% | 0.834 | 78% | 0.782 | S | S | * | * | | | cis | -160.6 | 142 | 11.1 | -153.4 | 177.5 | -147.7 | 175.7 | 6.5 | 111.6 | | |
| 116 | S | 50.4 | Low | 48.7 | Very low | 110 Ų | 110 | 125 Ų | 125 | 77% | 0.769 | 78% | 0.781 | S | S | * | * | | | trans | -165.5 | 167.4 | 161.2 | -172.3 | 0 | 0 | 0 | 0 | 109.9 | | |
| 117 | R | 50.1 | Low | 48.7 | Very low | 230 Ų | 230 | 125.2 Ų | 125.2 | 87% | 0.868 | 77% | 0.765 | S | S | * | * | | | trans | -127.5 | 97.3 | -177.6 | -61.1 | -172.7 | -166.5 | -177.7 | 5.7 | 112.9 | | |
| 118 | T | 48.3 | Very low | 49.3 | Very low | 121 Ų | 121 | 126.5 Ų | 126.5 | 74% | 0.742 | 75% | 0.75 | S | S | * | * | | | trans | -126.6 | 141.2 | 166.7 | 48 | 0 | 0 | 0 | 0 | 109.1 | | |
| 119 | P | 51.6 | Low | 49.5 | Very low | 135 Ų | 135 | 125.7 Ų | 125.7 | 88% | 0.877 | 74% | 0.742 | S | S | * | * | | | trans | -65.2 | 152.7 | -179.2 | 27.5 | -34.3 | 0 | 0 | 0 | 112.1 | | |
| 120 | S | 41.9 | Very low | 49 | Very low | 107 Ų | 107 | 129 Ų | 129 | 75% | 0.748 | 74% | 0.743 | S | S | * | * | | | trans | -90.3 | 131.2 | -164.6 | 52.6 | 0 | 0 | 0 | 0 | 114.6 | | |
| 121 | L | 54.6 | Low | 48.8 | Very low | 155 Ų | 155 | 134.9 Ų | 134.9 | 81% | 0.812 | 75% | 0.75 | S | S | * | * | | | trans | -113.2 | 162 | 151.9 | -114.5 | 65.5 | 0 | 0 | 0 | 108.7 | T123 | L121-T123 PolarHBondContact O-N 3.22Š|
| 122 | P | 51 | Low | 48.4 | Very low | 128 Ų | 128 | 134.4 Ų | 134.4 | 83% | 0.831 | 75% | 0.746 | S | S | * | * | | | trans | -65.2 | 125.6 | -155.1 | 23.1 | -33.5 | 0 | 0 | 0 | 114.3 | | |
| 123 | T | 48.3 | Very low | 48.4 | Very low | 114 Ų | 114 | 132.8 Ų | 132.8 | 70% | 0.699 | 74% | 0.743 | S | S | * | * | | | trans | -98.5 | 144.7 | 177.4 | -26.6 | 0 | 0 | 0 | 0 | 110.6 | L121 | L121-T123 PolarHBondContact O-N 3.22Š|
| 124 | P | 45.4 | Very low | 49.1 | Very low | 117 Ų | 117 | 135.3 Ų | 135.3 | 76% | 0.76 | 75% | 0.748 | S | S | * | * | | | | -146.8 | 171.7 | 109.3 | 40.4 | -27.2 | 0 | 0 | 0 | 113.7 | | |
| 125 | P | 46.5 | Very low | 49.5 | Very low | 117 Ų | 117 | 136.7 Ų | 136.7 | 76% | 0.76 | 75% | 0.752 | S | S | * | * | | | | -111.3 | -169.2 | -64.3 | 38.1 | -25.2 | 0 | 0 | 0 | 111.5 | | |
| 126 | T | 46.8 | Very low | 50.3 | Low | 124 Ų | 124 | 136.2 Ų | 136.2 | 76% | 0.761 | 75% | 0.75 | S | S | * | * | | | trans | -133.3 | 178.6 | -175.2 | 61.7 | 0 | 0 | 0 | 0 | 111.6 | | |
| 127 | R | 45.7 | Very low | 51.3 | Low | 136 Ų | 136 | 136.3 Ų | 136.3 | 51% | 0.513 | 75% | 0.746 | S | S | . | * | | | cis | -162.6 | 159.7 | 21.2 | -154.3 | 166 | 171.1 | -107.3 | 1 | 112.3 | G113 | G113-R127 PolarHBondContact O-NH1 3.16Š|
| 128 | E | 52.1 | Low | 52.2 | Low | 102 Ų | 102 | 130.5 Ų | 130.5 | 48% | 0.477 | 74% | 0.738 | S | S | . | * | | | trans | 50.9 | 174.2 | 153.1 | 71.7 | -148.2 | 129.6 | 0 | 0 | 122.1 | | |
| 129 | P | 46.7 | Very low | 53.3 | Low | 111 Ų | 111 | 130.3 Ų | 130.3 | 72% | 0.721 | 74% | 0.739 | S | S | * | * | | | | -119.6 | 72.4 | -56.3 | 32.1 | -15.7 | 0 | 0 | 0 | 109.7 | K131 | P129-K131 VanDerWaalsContact C-N 3.34Å; P129-K131 PolarHBondContact O-N 3.24Å |
| 130 | K | 42.5 | Very low | 54.2 | Low | 197 Ų | 197 | 133.8 Ų | 133.8 | 86% | 0.857 | 74% | 0.74 | S | S | * | * | | | trans | -71.4 | 87 | -178.6 | -68.2 | -179.3 | -177.8 | 175.3 | 0 | 111.3 | V132 | K130-V132 PolarHBondContact O-N 3.5Š|
| 131 | K | 45.5 | Very low | 55.7 | Low | 192 Ų | 192 | 133.5 Ų | 133.5 | 84% | 0.835 | 74% | 0.738 | S | S | * | * | | | trans | -42.3 | 140.7 | 158.1 | -71 | -176 | 176.4 | -178.4 | 0 | 108.3 | P129 A133 | P129-K131 VanDerWaalsContact C-N 3.34Å; P129-K131 PolarHBondContact O-N 3.24Å; K131-A133 PolarHBondContact O-N 3.26Å |
| 132 | V | 48.4 | Very low | 56.9 | Low | 140 Ų | 140 | 131.9 Ų | 131.9 | 85% | 0.848 | 74% | 0.737 | S | S | * | * | | | trans | -70.2 | 78.7 | 168.6 | -175.8 | 0 | 0 | 0 | 0 | 108 | K130 V134 | K130-V132 PolarHBondContact O-N 3.5Å; V132-V134 PolarHBondContact O-N 2.84Å |
| 133 | A | 47.6 | Very low | 57.9 | Low | 80 Ų | 80 | 131.7 Ų | 131.7 | 66% | 0.661 | 74% | 0.739 | S | S | * | * | | | trans | -67.9 | 90 | 168.2 | 0 | 0 | 0 | 0 | 0 | 106.6 | K131 V135 | K131-A133 PolarHBondContact O-N 3.26Å; A133-V135 PolarHBondContact O-N 3.03Å; A133-V135 VanDerWaalsContact O-N 3.08Å |
| 134 | V | 65.8 | Low | 58.9 | Low | 100 Ų | 100 | 131.1 Ų | 131.1 | 61% | 0.606 | 74% | 0.739 | S | S | * | * | | | trans | -42.7 | 120.4 | 169.5 | 174.1 | 0 | 0 | 0 | 0 | 107.3 | V132 R136 | V132-V134 PolarHBondContact O-N 2.84Å; V134-R136 HydrophobicContact CG1-CG 4.47Å; V134-R136 PolarHBondContact O-N 3.01Å |
| 135 | V | 60.5 | Low | 60.1 | Low | 133 Ų | 133 | 129.7 Ų | 129.7 | 81% | 0.806 | 74% | 0.737 | S | S | * | * | | | trans | -72.7 | 73.6 | -176 | -174 | 0 | 0 | 0 | 0 | 108.9 | A133 T137 | A133-V135 PolarHBondContact O-N 3.03Å; A133-V135 VanDerWaalsContact O-N 3.08Å; V135-T137 VanDerWaalsContact C-N 3.3Å; V135-T137 PolarHBondContact O-N 2.89Å |
| 136 | R | 66.1 | Low | 61 | Low | 211 Ų | 211 | 134 Ų | 134 | 80% | 0.796 | 74% | 0.744 | S | S | * | * | | | trans | -64.7 | 99.8 | 157.3 | -72.2 | -175 | 166.8 | 90.3 | -0.7 | 105.3 | V134 | V134-R136 HydrophobicContact CG1-CG 4.47Å; V134-R136 PolarHBondContact O-N 3.01Å |
| 137 | T | 71.5 | Confident | 62 | Low | 112 Ų | 112 | 133.1 Ų | 133.1 | 69% | 0.687 | 74% | 0.744 | S | S | * | * | | | trans | -48.8 | 130.7 | 169.7 | 38.9 | 0 | 0 | 0 | 0 | 108.3 | V135 | V135-T137 VanDerWaalsContact C-N 3.3Å; V135-T137 PolarHBondContact O-N 2.89Å |
| 138 | P | 70.4 | Confident | 63.2 | Low | 109 Ų | 109 | 137.5 Ų | 137.5 | 71% | 0.708 | 76% | 0.76 | S | S | * | * | | | trans | -53.2 | 127.6 | 172.6 | -25.5 | 34.3 | 0 | 0 | 0 | 108.1 | K140 | P138-K140 PolarHBondContact O-N 3.02Š|
| 139 | P | 70.4 | Confident | 64 | Low | 117 Ų | 117 | 140.5 Ų | 140.5 | 76% | 0.76 | 78% | 0.779 | S | S | * | * | | | trans | -60.2 | 112.2 | -176 | 23.3 | -32.6 | 0 | 0 | 0 | 108.1 | S141 | P139-S141 PolarHBondContact O-N 3.06Š|
| 140 | K | 69.8 | Low | 65.2 | Low | 207 Ų | 207 | 144.1 Ų | 144.1 | 90% | 0.9 | 79% | 0.786 | S | S | * | * | | | trans | -72.6 | 85.3 | 176.9 | -76.8 | -173.3 | 175.2 | -178.8 | 0 | 108.4 | P138 | P138-K140 PolarHBondContact O-N 3.02Š|
| 141 | S | 75.3 | Confident | 66.6 | Low | 101 Ų | 101 | 141.3 Ų | 141.3 | 71% | 0.706 | 79% | 0.785 | S | S | * | * | | | trans | -47.8 | 130.6 | 164.2 | -54.8 | 0 | 0 | 0 | 0 | 108.7 | P139 S143 | P139-S141 PolarHBondContact O-N 3.06Å; S141-S143 PolarHBondContact O-N 3.23Å |
| 142 | P | 78.1 | Confident | 68 | Low | 121 Ų | 121 | 136.2 Ų | 136.2 | 79% | 0.786 | 78% | 0.779 | S | S | * | * | | | trans | -58.9 | 132.1 | 175 | 25 | -33.1 | 0 | 0 | 0 | 108.8 | S144 | P142-S144 PolarHBondContact O-N 3.02Š|
| 143 | S | 71.9 | Confident | 69.3 | Low | 125 Ų | 125 | 135.4 Ų | 135.4 | 87% | 0.874 | 78% | 0.777 | S | S | * | * | | | trans | -63.2 | 111.3 | 177.2 | -172 | 0 | 0 | 0 | 0 | 108.7 | S141 A145 | S141-S143 PolarHBondContact O-N 3.23Å; S143-A145 PolarHBondContact O-N 3.39Å |
| 144 | S | 70.8 | Confident | 70.8 | Confident | 101 Ų | 101 | 137.9 Ų | 137.9 | 71% | 0.706 | 78% | 0.783 | S | S | * | * | | | trans | -69.5 | 100.9 | -174.4 | -175.8 | 0 | 0 | 0 | 0 | 110.2 | P142 K146 | P142-S144 PolarHBondContact O-N 3.02Å; S144-K146 PolarHBondContact O-N 3.15Å; S144-K146 VanDerWaalsContact O-N 3.13Å |
| 145 | A | 68.9 | Low | 71.6 | Confident | 87 Ų | 87 | 138.9 Ų | 138.9 | 72% | 0.719 | 79% | 0.792 | S | S | * | * | | | trans | -56.5 | 117.7 | 168.6 | 0 | 0 | 0 | 0 | 0 | 109 | S143 S147 | S143-A145 PolarHBondContact O-N 3.39Å; A145-S147 PolarHBondContact O-N 3.5Å |
| 146 | K | 66.1 | Low | 72.7 | Confident | 207 Ų | 207 | 140.7 Ų | 140.7 | 90% | 0.9 | 79% | 0.793 | S | S | * | * | | | trans | -77.1 | 56.2 | -177.9 | -71.1 | -177.2 | 177.4 | 175.6 | 0 | 112.1 | S144 R148 | S144-K146 PolarHBondContact O-N 3.15Å; S144-K146 VanDerWaalsContact O-N 3.13Å; K146-R148 PolarHBondContact O-N 3.42Å |
| 147 | S | 67.3 | Low | 73.5 | Confident | 107 Ų | 107 | 135.5 Ų | 135.5 | 75% | 0.748 | 79% | 0.787 | S | S | * | * | | | trans | -87.1 | 99.1 | 164.6 | -168.2 | 0 | 0 | 0 | 0 | 108.7 | A145 L149 | A145-S147 PolarHBondContact O-N 3.5Å; S147-L149 PolarHBondContact O-N 3.42Å |
| 148 | R | 71.9 | Confident | 74.2 | Confident | 227 Ų | 227 | 135.1 Ų | 135.1 | 86% | 0.857 | 78% | 0.781 | S | S | * | * | | | trans | -72.3 | 117.3 | 167.4 | 171 | 175.1 | -79.1 | 166.1 | -6.1 | 107.1 | K146 Q150 | K146-R148 PolarHBondContact O-N 3.42Å; R148-Q150 PolarHBondContact O-N 2.78Å |
| 149 | L | 68.1 | Low | 74.9 | Confident | 166 Ų | 166 | 135.7 Ų | 135.7 | 87% | 0.869 | 78% | 0.777 | S | S | * | * | | | trans | -48.1 | 115.2 | 166.8 | -88 | 159.1 | 0 | 0 | 0 | 108.9 | S147 T151 | S147-L149 PolarHBondContact O-N 3.42Å; L149-T151 PolarHBondContact O-N 3.13Å |
| 150 | Q | 72.7 | Confident | 75.6 | Confident | 187 Ų | 187 | 137.8 Ų | 137.8 | 87% | 0.874 | 78% | 0.775 | S | S | * | * | P | Polyproline II helix | trans | -72.1 | 126.2 | 172.6 | -68.4 | 179.3 | -14.7 | 0 | 0 | 107.4 | R148 A152 | R148-Q150 PolarHBondContact O-N 2.78Å; Q150-A152 PolarHBondContact O-N 2.8Å |
| 151 | T | 72.4 | Confident | 76.3 | Confident | 137 Ų | 137 | 134.4 Ų | 134.4 | 84% | 0.84 | 77% | 0.766 | S | S | * | * | P | Polyproline II helix | trans | -57.3 | 131.7 | 166.7 | 42.8 | 0 | 0 | 0 | 0 | 108.4 | L149 | L149-T151 PolarHBondContact O-N 3.13Š|
| 152 | A | 73.9 | Confident | 76.8 | Confident | 86 Ų | 86 | 135.3 Ų | 135.3 | 71% | 0.711 | 77% | 0.767 | S | S | * | * | P | Polyproline II helix | trans | -53.5 | 145.5 | 179.1 | 0 | 0 | 0 | 0 | 0 | 110.9 | Q150 | Q150-A152 PolarHBondContact O-N 2.8Š|
| 153 | P | 75 | Confident | 77 | Confident | 122 Ų | 122 | 138.4 Ų | 138.4 | 79% | 0.792 | 77% | 0.768 | S | S | * | * | P | Polyproline II helix | trans | -55.9 | 148.8 | 169.8 | 26.1 | -34.1 | 0 | 0 | 0 | 109.8 | | |
| 154 | V | 79.7 | Confident | 77.6 | Confident | 133 Ų | 133 | 136.7 Ų | 136.7 | 81% | 0.806 | 76% | 0.757 | S | S | * | * | P | Polyproline II helix | trans | -50 | 145 | -177.5 | -76.8 | 0 | 0 | 0 | 0 | 112.1 | M156 | V154-M156 PolarHBondContact O-N 2.97Š|
| 155 | P | 83.4 | Confident | 78.3 | Confident | 120 Ų | 120 | 142.1 Ų | 142.1 | 78% | 0.779 | 77% | 0.767 | S | S | * | * | P | Polyproline II helix | trans | -55.5 | 135.2 | -176.7 | 23.2 | -34.3 | 0 | 0 | 0 | 110.9 | | |
| 156 | M | 82.5 | Confident | 78.8 | Confident | 171 Ų | 171 | 144.3 Ų | 144.3 | 84% | 0.842 | 77% | 0.765 | S | S | * | * | P | Polyproline II helix | trans | -53.9 | 125.6 | -177 | 179.4 | 170.2 | 57.5 | 0 | 0 | 110.4 | V154 | V154-M156 PolarHBondContact O-N 2.97Š|
| 157 | P | 83.8 | Confident | 79.4 | Confident | 102 Ų | 102 | 136 Ų | 136 | 66% | 0.662 | 74% | 0.739 | S | S | * | * | P | Polyproline II helix | trans | -63.4 | 140.9 | -177.3 | 26.2 | -34.7 | 0 | 0 | 0 | 110.6 | | |
| 158 | D | 85.6 | Confident | 79.8 | Confident | 105 Ų | 105 | 135.3 Ų | 135.3 | 56% | 0.561 | 73% | 0.734 | S | S | * | * | P | Polyproline II helix | trans | -83.2 | 141.9 | -176.9 | -168.7 | 41.2 | 0 | 0 | 0 | 113.2 | K160 | D158-K160 WeakPolarHBondContact OD1-CD 3.48Å; D158-K160 WeakPolarHBondContact OD1-CE 3.14Å; D158-K160 WeakPolarHBondContact OD1-CG 3.07Å; D158-K160 IonicContact OD1-NZ 2.7Å; D158-K160 PolarHBondContact OD1-NZ 3.49Å; D158-K160 WeakPolarHBondContact OD2-CG 3.41Å |
| 159 | L | 86.3 | Confident | 80.2 | Confident | 121 Ų | 121 | 129.1 Ų | 129.1 | 63% | 0.634 | 72% | 0.721 | S | S | * | * | | | trans | -130.3 | 8.5 | -170.7 | -61.1 | 176.1 | 0 | 0 | 0 | 113 | N161 V162 | L159-N161 PolarHBondContact O-N 3.15Å; L159-V162 HydrophobicContact CB-CG2 4.34Å; L159-V162 HydrophobicContact CD2-CG2 4.21Å; L159-V162 PolarHBondContact O-N 2.94Å |
| 160 | K | 84.8 | Confident | 80.9 | Confident | 161 Ų | 161 | 129 Ų | 129 | 70% | 0.7 | 72% | 0.717 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -62.4 | -15.8 | -170.2 | -57.2 | -33.9 | 179 | -106.2 | 0 | 114.8 | D158 | D158-K160 WeakPolarHBondContact OD1-CD 3.48Å; D158-K160 WeakPolarHBondContact OD1-CE 3.14Å; D158-K160 WeakPolarHBondContact OD1-CG 3.07Å; D158-K160 IonicContact OD1-NZ 2.7Å; D158-K160 PolarHBondContact OD1-NZ 3.49Å; D158-K160 WeakPolarHBondContact OD2-CG 3.41Å |
| 161 | N | 83.7 | Confident | 81.3 | Confident | 136 Ų | 136 | 124.9 Ų | 124.9 | 73% | 0.727 | 70% | 0.701 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -118.2 | 15.4 | -173.9 | -53 | 133.4 | 0 | 0 | 0 | 114.6 | L159 K163 | L159-N161 PolarHBondContact O-N 3.15Å; N161-K163 PolarHBondContact O-N 3.32Å |
| 162 | V | 85.4 | Confident | 81.9 | Confident | 119 Ų | 119 | 125 Ų | 125 | 72% | 0.721 | 70% | 0.695 | S | S | * | * | | | trans | -67.5 | 103.5 | 172.5 | -179 | 0 | 0 | 0 | 0 | 109.6 | L159 | L159-V162 HydrophobicContact CB-CG2 4.34Å; L159-V162 HydrophobicContact CD2-CG2 4.21Å; L159-V162 PolarHBondContact O-N 2.94Å |
| 163 | K | 83.5 | Confident | 82.6 | Confident | 186 Ų | 186 | 130.9 Ų | 130.9 | 81% | 0.809 | 71% | 0.705 | S | S | * | * | | | trans | -93.1 | 149.7 | 175.6 | -73.8 | -177.3 | -76.1 | -175.1 | 0 | 111.2 | N161 | N161-K163 PolarHBondContact O-N 3.32Š|
| 164 | S | 84.2 | Confident | 83.2 | Confident | 90 Ų | 90 | 130.5 Ų | 130.5 | 63% | 0.629 | 69% | 0.692 | S | S | * | * | | | trans | -65.9 | 144 | 176.5 | 50.8 | 0 | 0 | 0 | 0 | 111.7 | I166 | S164-I166 VanDerWaalsContact C-N 3.33Š|
| 165 | K | 85 | Confident | 83.5 | Confident | 214 Ų | 214 | 132 Ų | 132 | 93% | 0.93 | 69% | 0.69 | S | S | * | * | S | Bend | trans | -86.4 | -2.8 | 174.3 | -64.3 | -174.9 | 179.6 | -179.2 | 0 | 113.6 | | |
| 166 | I | 80.5 | Confident | 83.6 | Confident | 133 Ų | 133 | 130.5 Ų | 130.5 | 68% | 0.682 | 68% | 0.681 | S | S | * | * | S | Bend | trans | -93.4 | 122.7 | -177.1 | -58.1 | 174.8 | 0 | 0 | 0 | 108.4 | S164 S168 | S164-I166 VanDerWaalsContact C-N 3.33Å; I166-S168 PolarHBondContact O-N 3.49Å |
| 167 | G | 77.9 | Confident | 83.8 | Confident | 33 Ų | 33 | 126.2 Ų | 126.2 | 34% | 0.34 | 68% | 0.68 | S | S | . | * | G | 310 helix | trans | -63.3 | 5.7 | -174.3 | 0 | 0 | 0 | 0 | 0 | 116.8 | T169 E170 | G167-T169 PolarHBondContact O-N 2.94Å; G167-E170 VanDerWaalsContact O-CB 3.3Å; G167-E170 WeakPolarHBondContact O-CB 3.31Å; G167-E170 WeakPolarHBondContact O-CG 3.34Å; G167-E170 PolarHBondContact O-N 3.43Å |
| 168 | S | 75.9 | Confident | 84 | Confident | 93 Ų | 93 | 124.8 Ų | 124.8 | 65% | 0.65 | 69% | 0.685 | S | S | * | * | G | 310 helix | trans | -54 | -16 | -175.1 | -171.2 | 0 | 0 | 0 | 0 | 115.6 | I166 | I166-S168 PolarHBondContact O-N 3.49Š|
| 169 | T | 80.9 | Confident | 83.9 | Confident | 96 Ų | 96 | 123.5 Ų | 123.5 | 59% | 0.589 | 70% | 0.696 | S | S | * | * | G | 310 helix | trans | -83.6 | -11.7 | 174.5 | 51.6 | 0 | 0 | 0 | 0 | 114.2 | G167 N171 L172 | G167-T169 PolarHBondContact O-N 2.94Å; T169-N171 VanDerWaalsContact C-N 3.34Å; T169-N171 PolarHBondContact O-N 3.34Å; T169-L172 HydrophobicContact CG2-CD1 4.43Å; T169-L172 WeakPolarHBondContact O-CD1 3.19Å; T169-L172 WeakPolarHBondContact O-CG 2.89Å |
| 170 | E | 81.7 | Confident | 83.7 | Confident | 165 Ų | 165 | 127.8 Ų | 127.8 | 77% | 0.771 | 71% | 0.709 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -70.4 | -30.5 | -179 | 77.5 | -154.6 | 149.3 | 0 | 0 | 112.6 | G167 | G167-E170 VanDerWaalsContact O-CB 3.3Å; G167-E170 WeakPolarHBondContact O-CB 3.31Å; G167-E170 WeakPolarHBondContact O-CG 3.34Å; G167-E170 PolarHBondContact O-N 3.43Å |
| 171 | N | 82.2 | Confident | 83.6 | Confident | 100 Ų | 100 | 126.7 Ų | 126.7 | 54% | 0.535 | 72% | 0.716 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -113 | 22 | -168.9 | -142.1 | 16.9 | 0 | 0 | 0 | 113.7 | T169 K173 H174 | T169-N171 VanDerWaalsContact C-N 3.34Å; T169-N171 PolarHBondContact O-N 3.34Å; N171-K173 PolarHBondContact O-N 2.81Å; N171-H174 HydrophobicContact CB-CB 4.4Å; N171-H174 WeakPolarHBondContact O-CB 3.33Å; N171-H174 PolarHBondContact O-N 2.81Å; N171-H174 WeakPolarHBondContact OD1-CB 3.32Å |
| 172 | L | 84.4 | Confident | 83.6 | Confident | 139 Ų | 139 | 128.5 Ų | 128.5 | 73% | 0.728 | 72% | 0.72 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -58.3 | -12.8 | -175.7 | -69.9 | 169.3 | 0 | 0 | 0 | 115.5 | T169 | T169-L172 HydrophobicContact CG2-CD1 4.43Å; T169-L172 WeakPolarHBondContact O-CD1 3.19Å; T169-L172 WeakPolarHBondContact O-CG 2.89Å |
| 173 | K | 88 | Confident | 83.5 | Confident | 209 Ų | 209 | 130.4 Ų | 130.4 | 91% | 0.909 | 72% | 0.724 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -104.7 | 2.4 | 177.7 | -62.2 | -177.9 | -179 | 178.3 | 0 | 113.4 | N171 Q175 | N171-K173 PolarHBondContact O-N 2.81Å; K173-Q175 PolarHBondContact O-N 2.88Å; K173-Q175 VanDerWaalsContact O-N 3.15Å |
| 174 | H | 88.6 | Confident | 83.6 | Confident | 114 Ų | 114 | 126.5 Ų | 126.5 | 53% | 0.528 | 72% | 0.716 | S | S | . | * | | | trans | -79.7 | 97.3 | -178.2 | -177.3 | 87.4 | 0 | 0 | 0 | 111.6 | N171 | N171-H174 HydrophobicContact CB-CB 4.4Å; N171-H174 WeakPolarHBondContact O-CB 3.33Å; N171-H174 PolarHBondContact O-N 2.81Å; N171-H174 WeakPolarHBondContact OD1-CB 3.32Å |
| 175 | Q | 85.6 | Confident | 83.6 | Confident | 164 Ų | 164 | 131.4 Ų | 131.4 | 77% | 0.766 | 72% | 0.722 | S | S | * | * | P | Polyproline II helix | trans | -79.5 | 123.9 | 158.2 | -163.8 | 65.5 | 30.1 | 0 | 0 | 108.4 | K173 G177 | K173-Q175 PolarHBondContact O-N 2.88Å; K173-Q175 VanDerWaalsContact O-N 3.15Å; Q175-G177 PolarHBondContact O-N 3.03Å |
| 176 | P | 85.3 | Confident | 83.7 | Confident | 89 Ų | 89 | 129.5 Ų | 129.5 | 58% | 0.578 | 71% | 0.714 | S | S | * | * | P | Polyproline II helix | trans | -62.7 | 134 | 178.3 | 24.9 | -34 | 0 | 0 | 0 | 110.9 | G178 | P176-G178 PolarHBondContact O-N 3.35Š|
| 177 | G | 87.5 | Confident | 83.9 | Confident | 81 Ų | 81 | 127.6 Ų | 127.6 | 84% | 0.835 | 71% | 0.71 | S | S | * | * | P | Polyproline II helix | trans | -69.2 | 123.8 | -176.6 | 0 | 0 | 0 | 0 | 0 | 112.8 | Q175 | Q175-G177 PolarHBondContact O-N 3.03Š|
| 178 | G | 86.6 | Confident | 84.1 | Confident | 73 Ų | 73 | 131.7 Ų | 131.7 | 75% | 0.753 | 73% | 0.728 | S | S | * | * | P | Polyproline II helix | trans | -89.5 | 126.9 | 173.4 | 0 | 0 | 0 | 0 | 0 | 112.6 | P176 | P176-G178 PolarHBondContact O-N 3.35Š|
| 179 | G | 84.5 | Confident | 84.5 | Confident | 77 Ų | 77 | 133.1 Ų | 133.1 | 79% | 0.794 | 73% | 0.728 | S | S | * | * | P | Polyproline II helix | trans | -76.8 | 140.4 | 172.2 | 0 | 0 | 0 | 0 | 0 | 112.6 | | |
| 180 | K | 81.2 | Confident | 84.5 | Confident | 212 Ų | 212 | 134.3 Ų | 134.3 | 92% | 0.922 | 73% | 0.73 | S | S | * | * | | | trans | -108.7 | 90.2 | 175.6 | -63.6 | -175.6 | -176.9 | -179.2 | 0 | 110.1 | | |
| 181 | V | 82.8 | Confident | 84.3 | Confident | 137 Ų | 137 | 130.4 Ų | 130.4 | 83% | 0.83 | 72% | 0.721 | S | S | * | * | | | trans | -105.8 | 123.2 | 176.4 | -178.1 | 0 | 0 | 0 | 0 | 109.3 | | |
| 182 | Q | 83.6 | Confident | 84 | Confident | 174 Ų | 174 | 134.7 Ų | 134.7 | 81% | 0.813 | 74% | 0.735 | S | S | * | * | | | trans | -111.2 | 119.2 | 175.2 | -173.4 | 174.7 | 12.1 | 0 | 0 | 109.7 | V184 | Q182-V184 PolarHBondContact O-N 3.06Š|
| 183 | I | 84 | Confident | 83.5 | Confident | 159 Ų | 159 | 133.4 Ų | 133.4 | 82% | 0.815 | 73% | 0.733 | S | S | * | * | | | trans | -80.3 | 113.5 | 176.4 | -58.4 | 176.6 | 0 | 0 | 0 | 108.4 | | |
| 184 | V | 85.4 | Confident | 82.9 | Confident | 104 Ų | 104 | 129.3 Ų | 129.3 | 63% | 0.63 | 73% | 0.726 | S | S | * | * | | | trans | -92.7 | 105.7 | -179.6 | -179.1 | 0 | 0 | 0 | 0 | 109.7 | Q182 K186 | Q182-V184 PolarHBondContact O-N 3.06Å; V184-K186 HydrophobicContact CG1-CG 4.25Å |
| 185 | Y | 84.6 | Confident | 82 | Confident | 194 Ų | 194 | 129 Ų | 129 | 76% | 0.761 | 74% | 0.736 | S | S | * | * | | | trans | -82.5 | 120.8 | 175.8 | -175.8 | -113.4 | 0 | 0 | 0 | 111.2 | P187 | Y185-P187 HydrophobicContact CD1-CG 4.5Å; Y185-P187 HydrophobicContact CE1-CB 4.05Å; Y185-P187 HydrophobicContact CE1-CG 3.91Å |
| 186 | K | 87.3 | Confident | 81.3 | Confident | 174 Ų | 174 | 131.3 Ų | 131.3 | 76% | 0.757 | 74% | 0.744 | S | S | * | * | | | trans | -130.4 | 97.8 | 172 | -70.6 | -176.3 | 179.7 | -177.3 | 0 | 108.9 | V184 | V184-K186 HydrophobicContact CG1-CG 4.25Š|
| 187 | P | 83.9 | Confident | 80.5 | Confident | 92 Ų | 92 | 131.6 Ų | 131.6 | 60% | 0.597 | 75% | 0.747 | S | S | * | * | P | Polyproline II helix | trans | -68.6 | 143.5 | 177 | 28.4 | -32.6 | 0 | 0 | 0 | 110.5 | Y185 | Y185-P187 HydrophobicContact CD1-CG 4.5Å; Y185-P187 HydrophobicContact CE1-CB 4.05Å; Y185-P187 HydrophobicContact CE1-CG 3.91Å |
| 188 | V | 82.5 | Confident | 79.4 | Confident | 119 Ų | 119 | 131 Ų | 131 | 72% | 0.721 | 74% | 0.741 | S | S | * | * | P | Polyproline II helix | trans | -88.8 | 126.5 | 174.2 | 179.5 | 0 | 0 | 0 | 0 | 108.7 | L190 | V188-L190 HydrophobicContact CG1-CD2 3.94Å; V188-L190 HydrophobicContact CG1-CG 4.36Å |
| 189 | D | 83 | Confident | 78.5 | Confident | 124 Ų | 124 | 132.3 Ų | 132.3 | 66% | 0.663 | 74% | 0.738 | S | S | * | * | P | Polyproline II helix | trans | -78.5 | 127.6 | 171 | -178.2 | 27.3 | 0 | 0 | 0 | 110.7 | S191 | D189-S191 VanDerWaalsContact CG-OG 3.27Å; D189-S191 WeakPolarHBondContact OD1-CB 3.34Å; D189-S191 PolarHBondContact OD1-N 3.49Å; D189-S191 PolarHBondContact OD1-OG 3.2Å; D189-S191 WeakPolarHBondContact OD2-CB 3.09Å; D189-S191 PolarHBondContact OD2-OG 3.02Å |
| 190 | L | 81.8 | Confident | 77.5 | Confident | 120 Ų | 120 | 134.9 Ų | 134.9 | 63% | 0.628 | 73% | 0.733 | S | S | * | * | | | trans | -117.9 | 15.3 | 177.4 | -60.5 | 177 | 0 | 0 | 0 | 112 | V188 K192 V193 | V188-L190 HydrophobicContact CG1-CD2 3.94Å; V188-L190 HydrophobicContact CG1-CG 4.36Å; L190-K192 PolarHBondContact O-N 3.17Å; L190-V193 HydrophobicContact CB-CG2 4.13Å; L190-V193 HydrophobicContact CD2-CG2 4.25Å; L190-V193 WeakPolarHBondContact O-CG2 3.3Å; L190-V193 PolarHBondContact O-N 3.04Å |
| 191 | S | 77.9 | Confident | 76.9 | Confident | 84 Ų | 84 | 128 Ų | 128 | 59% | 0.587 | 72% | 0.722 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -49.8 | -20.4 | -175.8 | 59.6 | 0 | 0 | 0 | 0 | 116.6 | D189 | D189-S191 VanDerWaalsContact CG-OG 3.27Å; D189-S191 WeakPolarHBondContact OD1-CB 3.34Å; D189-S191 PolarHBondContact OD1-N 3.49Å; D189-S191 PolarHBondContact OD1-OG 3.2Å; D189-S191 WeakPolarHBondContact OD2-CB 3.09Å; D189-S191 PolarHBondContact OD2-OG 3.02Å |
| 192 | K | 75.3 | Confident | 76.2 | Confident | 190 Ų | 190 | 127.9 Ų | 127.9 | 83% | 0.826 | 72% | 0.717 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -104.1 | 3.2 | -177.5 | -59.4 | 177.8 | -174.2 | 175.3 | 0 | 114.2 | L190 T194 | L190-K192 PolarHBondContact O-N 3.17Å; K192-T194 PolarHBondContact O-N 2.98Å |
| 193 | V | 75.3 | Confident | 75.7 | Confident | 112 Ų | 112 | 125.6 Ų | 125.6 | 68% | 0.679 | 71% | 0.709 | S | S | * | * | | | trans | -84.9 | 94.3 | -177.8 | -176.7 | 0 | 0 | 0 | 0 | 110.8 | L190 | L190-V193 HydrophobicContact CB-CG2 4.13Å; L190-V193 HydrophobicContact CD2-CG2 4.25Å; L190-V193 WeakPolarHBondContact O-CG2 3.3Å; L190-V193 PolarHBondContact O-N 3.04Å |
| 194 | T | 73.5 | Confident | 75.5 | Confident | 123 Ų | 123 | 126.3 Ų | 126.3 | 76% | 0.755 | 71% | 0.708 | S | S | * | * | | | trans | -84.6 | 134.5 | 168.4 | 57 | 0 | 0 | 0 | 0 | 111 | K192 K196 | K192-T194 PolarHBondContact O-N 2.98Å; T194-K196 PolarHBondContact O-N 3.34Å |
| 195 | S | 69.8 | Low | 75.3 | Confident | 107 Ų | 107 | 127.7 Ų | 127.7 | 75% | 0.748 | 71% | 0.708 | S | S | * | * | | | trans | -76 | 123.1 | 179.3 | 48.4 | 0 | 0 | 0 | 0 | 112.1 | C197 | S195-C197 PolarHBondContact O-N 3.37Š|
| 196 | K | 70.8 | Confident | 74.9 | Confident | 212 Ų | 212 | 127.3 Ų | 127.3 | 92% | 0.922 | 71% | 0.71 | S | S | * | * | | | trans | -79.2 | 30.9 | 174.3 | -63.7 | -169.3 | 176.4 | -174.4 | 0 | 113.2 | T194 G198 | T194-K196 PolarHBondContact O-N 3.34Å; K196-G198 PolarHBondContact O-N 3.25Å |
| 197 | C | 69.2 | Low | 74.4 | Confident | 96 Ų | 96 | 124 Ų | 124 | 65% | 0.649 | 71% | 0.706 | S | S | * | * | | | trans | -83.2 | 101.1 | -176 | -169.7 | 0 | 0 | 0 | 0 | 110.4 | S195 S199 | S195-C197 PolarHBondContact O-N 3.37Å; C197-S199 PolarHBondContact O-N 2.88Å |
| 198 | G | 65.4 | Low | 74 | Confident | 69 Ų | 69 | 123.7 Ų | 123.7 | 71% | 0.711 | 72% | 0.72 | S | S | * | * | | | trans | -72.7 | 55.8 | 177.3 | 0 | 0 | 0 | 0 | 0 | 113.8 | K196 L200 G201 | K196-G198 PolarHBondContact O-N 3.25Å; G198-L200 PolarHBondContact O-N 2.7Å; G198-G201 PolarHBondContact O-N 2.89Å; G198-G201 VanDerWaalsContact O-N 3.16Å |
| 199 | S | 66.5 | Low | 73.7 | Confident | 99 Ų | 99 | 121.3 Ų | 121.3 | 69% | 0.692 | 72% | 0.719 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -60 | -15.2 | -173.8 | 56.5 | 0 | 0 | 0 | 0 | 115 | C197 | C197-S199 PolarHBondContact O-N 2.88Š|
| 200 | L | 63.6 | Low | 73 | Confident | 132 Ų | 132 | 118.2 Ų | 118.2 | 69% | 0.691 | 72% | 0.717 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -92.5 | 4 | -179.7 | -60 | -179.5 | 0 | 0 | 0 | 114.3 | G198 N202 I203 | G198-L200 PolarHBondContact O-N 2.7Å; L200-N202 VanDerWaalsContact C-N 3.28Å; L200-N202 PolarHBondContact O-N 2.99Å; L200-I203 HydrophobicContact CB-CD1 4.23Å; L200-I203 HydrophobicContact CD2-CD1 4.33Å; L200-I203 WeakPolarHBondContact O-CG1 3.18Å |
| 201 | G | 70.2 | Confident | 72.4 | Confident | 66 Ų | 66 | 122 Ų | 122 | 68% | 0.68 | 73% | 0.731 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -62.9 | -26.7 | -176.7 | 0 | 0 | 0 | 0 | 0 | 115.7 | G198 | G198-G201 PolarHBondContact O-N 2.89Å; G198-G201 VanDerWaalsContact O-N 3.16Å |
| 202 | N | 66.9 | Low | 72.1 | Confident | 136 Ų | 136 | 122.8 Ų | 122.8 | 73% | 0.727 | 73% | 0.732 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -118.3 | 20.8 | -166.5 | -75.1 | -20.3 | 0 | 0 | 0 | 115.1 | L200 H204 H205 | L200-N202 VanDerWaalsContact C-N 3.28Å; L200-N202 PolarHBondContact O-N 2.99Å; N202-H204 PolarHBondContact O-N 3.38Å; N202-H205 HydrophobicContact CB-CB 4.4Å; N202-H205 WeakPolarHBondContact O-CB 3.35Å; N202-H205 PolarHBondContact O-N 2.98Å |
| 203 | I | 73 | Confident | 72.1 | Confident | 125 Ų | 125 | 120.5 Ų | 120.5 | 64% | 0.641 | 72% | 0.724 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -56.2 | -28 | -174.2 | -22.7 | -176.7 | 0 | 0 | 0 | 113.4 | L200 | L200-I203 HydrophobicContact CB-CD1 4.23Å; L200-I203 HydrophobicContact CD2-CD1 4.33Å; L200-I203 WeakPolarHBondContact O-CG1 3.18Å |
| 204 | H | 79.2 | Confident | 71.9 | Confident | 175 Ų | 175 | 118.1 Ų | 118.1 | 81% | 0.81 | 71% | 0.71 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -93.9 | 1.7 | -177.6 | -54.4 | 121.4 | 0 | 0 | 0 | 114.5 | N202 K206 | N202-H204 PolarHBondContact O-N 3.38Å; H204-K206 PolarHBondContact O-N 3.15Å |
| 205 | H | 81.1 | Confident | 72 | Confident | 133 Ų | 133 | 119.1 Ų | 119.1 | 62% | 0.616 | 70% | 0.704 | S | S | * | * | | | trans | -70.6 | 104.2 | -177.1 | 177.2 | -98 | 0 | 0 | 0 | 112.3 | N202 | N202-H205 HydrophobicContact CB-CB 4.4Å; N202-H205 WeakPolarHBondContact O-CB 3.35Å; N202-H205 PolarHBondContact O-N 2.98Å |
| 206 | K | 77.7 | Confident | 72.1 | Confident | 186 Ų | 186 | 118 Ų | 118 | 81% | 0.809 | 70% | 0.696 | S | S | * | * | | | trans | -90.6 | 115 | 163.8 | -60.6 | -62 | -174.2 | -177.8 | 0 | 108.7 | H204 G208 | H204-K206 PolarHBondContact O-N 3.15Å; K206-G208 PolarHBondContact O-N 2.95Å |
| 207 | P | 76 | Confident | 72.5 | Confident | 103 Ų | 103 | 115.5 Ų | 115.5 | 67% | 0.669 | 69% | 0.687 | S | S | * | * | | | trans | -68.4 | 117.2 | 178.1 | 26.5 | -32.7 | 0 | 0 | 0 | 110.6 | G209 | P207-G209 PolarHBondContact O-N 3.26Š|
| 208 | G | 75.7 | Confident | 72.7 | Confident | 86 Ų | 86 | 119.6 Ų | 119.6 | 89% | 0.887 | 69% | 0.694 | S | S | * | * | | | trans | -73.1 | 122.2 | 169.6 | 0 | 0 | 0 | 0 | 0 | 110.9 | K206 | K206-G208 PolarHBondContact O-N 2.95Š|
| 209 | G | 77.1 | Confident | 73.2 | Confident | 69 Ų | 69 | 120.9 Ų | 120.9 | 71% | 0.711 | 69% | 0.685 | S | S | * | * | | | trans | -169.9 | 138.7 | 178 | 0 | 0 | 0 | 0 | 0 | 112.5 | P207 | P207-G209 PolarHBondContact O-N 3.26Š|
| 210 | G | 68 | Low | 73.7 | Confident | 59 Ų | 59 | 122 Ų | 122 | 61% | 0.608 | 68% | 0.683 | S | S | * | * | | | trans | 151.2 | -20.7 | 178.1 | 0 | 0 | 0 | 0 | 0 | 114.9 | V212 | G210-V212 VanDerWaalsContact C-N 3.33Å; G210-V212 PolarHBondContact O-N 3.45Å; G210-V212 VanDerWaalsContact O-N 3.15Å |
| 211 | Q | 67.6 | Low | 74.3 | Confident | 200 Ų | 200 | 121.3 Ų | 121.3 | 94% | 0.935 | 67% | 0.674 | S | S | * | * | | | trans | -92.8 | 48.4 | -169.6 | -155.6 | 162.3 | 7 | 0 | 0 | 113.7 | | |
| 212 | V | 72.2 | Confident | 74.4 | Confident | 101 Ų | 101 | 126.4 Ų | 126.4 | 61% | 0.612 | 68% | 0.678 | S | S | * | * | S | Bend | trans | -135.8 | 121 | 174.9 | -176.8 | 0 | 0 | 0 | 0 | 109.5 | G210 V214 | G210-V212 VanDerWaalsContact C-N 3.33Å; G210-V212 PolarHBondContact O-N 3.45Å; G210-V212 VanDerWaalsContact O-N 3.15Å; V212-V214 PolarHBondContact O-N 3Å |
| 213 | E | 74.8 | Confident | 74.8 | Confident | 141 Ų | 141 | 127.6 Ų | 127.6 | 66% | 0.659 | 68% | 0.684 | S | S | * | * | | | trans | -71.1 | 127.9 | -178.7 | -162 | -157.4 | 144.7 | 0 | 0 | 112 | K215 | E213-K215 VanDerWaalsContact C-N 3.33Å; E213-K215 HydrophobicContact CG-CG 4.33Å; E213-K215 PolarHBondContact O-N 3.36Å; E213-K215 VanDerWaalsContact O-N 3.13Å; E213-K215 WeakPolarHBondContact OE1-CE 3Å; E213-K215 VanDerWaalsContact OE1-CG 3.31Å; E213-K215 WeakPolarHBondContact OE1-CG 3.47Å; E213-K215 WeakPolarHBondContact OE2-CE 3.44Å; E213-K215 IonicContact OE2-NZ 3.63Å |
| 214 | V | 72.9 | Confident | 75.1 | Confident | 62 Ų | 62 | 132 Ų | 132 | 38% | 0.376 | 69% | 0.692 | S | S | . | * | | | trans | -92.4 | 61 | -173.4 | 168.4 | 0 | 0 | 0 | 0 | 111.1 | R3 V212 S216 | R3-V214 HydrophobicContact CG-CB 4.45Å; R3-V214 HydrophobicContact CG-CG1 3.76Å; R3-V214 HydrophobicContact CG-CG2 3.89Å; V212-V214 PolarHBondContact O-N 3Å; V214-S216 PolarHBondContact O-N 3.13Å |
| 215 | K | 74.3 | Confident | 75.2 | Confident | 145 Ų | 145 | 128.6 Ų | 128.6 | 63% | 0.63 | 68% | 0.684 | S | S | * | * | | | trans | -55.3 | 105.1 | 174.8 | -65 | -171.6 | -179.6 | -173.5 | 0 | 111 | R3 E213 | R3-K215 VanDerWaalsContact CZ-O 3.23Å; R3-K215 PolarHBondContact NH1-O 3.24Å; R3-K215 PolarHBondContact NH2-O 2.97Å; E213-K215 VanDerWaalsContact C-N 3.33Å; E213-K215 HydrophobicContact CG-CG 4.33Å; E213-K215 PolarHBondContact O-N 3.36Å; E213-K215 VanDerWaalsContact O-N 3.13Å; E213-K215 WeakPolarHBondContact OE1-CE 3Å; E213-K215 VanDerWaalsContact OE1-CG 3.31Å; E213-K215 WeakPolarHBondContact OE1-CG 3.47Å; E213-K215 WeakPolarHBondContact OE2-CE 3.44Å; E213-K215 IonicContact OE2-NZ 3.63Å |
| 216 | S | 71.8 | Confident | 75.3 | Confident | 83 Ų | 83 | 130.6 Ų | 130.6 | 58% | 0.58 | 69% | 0.694 | S | S | * | * | | | trans | -106 | 92.2 | -173.2 | 51.4 | 0 | 0 | 0 | 0 | 111.5 | V214 K218 | V214-S216 PolarHBondContact O-N 3.13Å; S216-K218 PolarHBondContact O-N 3.45Å |
| 217 | E | 78.8 | Confident | 75.7 | Confident | 159 Ų | 159 | 126.3 Ų | 126.3 | 74% | 0.743 | 69% | 0.687 | S | S | * | * | | | trans | -76.2 | 108.3 | 169.9 | -161.8 | 179.1 | 174.5 | 0 | 0 | 109.3 | L219 | E217-L219 HydrophobicContact CG-CD1 4.48Å; E217-L219 HydrophobicContact CG-CD2 4.05Å; E217-L219 HydrophobicContact CG-CG 4.02Å; E217-L219 PolarHBondContact O-N 2.71Å |
| 218 | K | 74.4 | Confident | 76.3 | Confident | 182 Ų | 182 | 131.7 Ų | 131.7 | 79% | 0.791 | 70% | 0.7 | S | S | * | * | | | trans | -90.8 | 94.9 | 176.9 | -71.2 | -176.4 | 179.4 | 177.9 | 0 | 109.5 | S216 D220 | S216-K218 PolarHBondContact O-N 3.45Å; K218-D220 PolarHBondContact O-N 2.96Å |
| 219 | L | 75.8 | Confident | 76.7 | Confident | 97 Ų | 97 | 133.9 Ų | 133.9 | 51% | 0.508 | 69% | 0.69 | S | S | . | * | | | trans | -89 | 92.1 | 178.2 | -64.5 | 172.6 | 0 | 0 | 0 | 110.6 | E217 F221 | E217-L219 HydrophobicContact CG-CD1 4.48Å; E217-L219 HydrophobicContact CG-CD2 4.05Å; E217-L219 HydrophobicContact CG-CG 4.02Å; E217-L219 PolarHBondContact O-N 2.71Å; L219-F221 HydrophobicContact CB-CD2 3.82Å; L219-F221 HydrophobicContact CB-CE2 3.39Å; L219-F221 HydrophobicContact CB-CZ 3.81Å; L219-F221 HydrophobicContact CD1-CE2 3.85Å; L219-F221 HydrophobicContact CD1-CZ 3.79Å; L219-F221 HydrophobicContact CG-CE2 4.22Å; L219-F221 HydrophobicContact CG-CZ 4.29Å; L219-F221 WeakPolarHBondContact O-CD2 3.36Å; L219-F221 PolarHBondContact O-N 3.4Å |
| 220 | D | 76 | Confident | 77 | Confident | 122 Ų | 122 | 132.8 Ų | 132.8 | 65% | 0.652 | 68% | 0.678 | S | S | * | * | | | trans | -74.8 | 89.2 | 172.7 | -84.2 | -61.6 | 0 | 0 | 0 | 110.7 | K218 | K218-D220 PolarHBondContact O-N 2.96Š|
| 221 | F | 76.5 | Confident | 77.8 | Confident | 118 Ų | 118 | 134.4 Ų | 134.4 | 52% | 0.518 | 68% | 0.681 | S | S | . | * | | | trans | -82.3 | -4.3 | -176 | -79.1 | -61.7 | 0 | 0 | 0 | 115.6 | L219 D223 R224 V225 | L219-F221 HydrophobicContact CB-CD2 3.82Å; L219-F221 HydrophobicContact CB-CE2 3.39Å; L219-F221 HydrophobicContact CB-CZ 3.81Å; L219-F221 HydrophobicContact CD1-CE2 3.85Å; L219-F221 HydrophobicContact CD1-CZ 3.79Å; L219-F221 HydrophobicContact CG-CE2 4.22Å; L219-F221 HydrophobicContact CG-CZ 4.29Å; L219-F221 WeakPolarHBondContact O-CD2 3.36Å; L219-F221 PolarHBondContact O-N 3.4Å; F221-D223 VanDerWaalsContact C-N 3.33Å; F221-D223 PolarHBondContact O-N 3.22Å; F221-R224 PolarHBondContact O-N 2.83Å; F221-V225 HydrophobicContact CB-CG2 3.85Å; F221-V225 HydrophobicContact CD1-CG2 4.27Å; F221-V225 HydrophobicContact CG-CG2 4.32Å; F221-V225 PolarHBondContact O-N 3.04Å |
| 222 | K | 72.5 | Confident | 78.7 | Confident | 173 Ų | 173 | 130.3 Ų | 130.3 | 75% | 0.752 | 66% | 0.664 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -49.6 | -47.6 | -166.6 | -71 | 176.2 | -179.8 | 167.7 | 0 | 114.1 | | |
| 223 | D | 76.4 | Confident | 79.4 | Confident | 160 Ų | 160 | 131.3 Ų | 131.3 | 86% | 0.856 | 67% | 0.666 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -96.3 | 0.7 | -173.7 | -42.9 | -50.1 | 0 | 0 | 0 | 112.8 | F221 | F221-D223 VanDerWaalsContact C-N 3.33Å; F221-D223 PolarHBondContact O-N 3.22Å |
| 224 | R | 78.1 | Confident | 79.9 | Confident | 217 Ų | 217 | 131 Ų | 131 | 82% | 0.819 | 67% | 0.669 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -112.6 | -12.4 | -174 | -63.6 | -170.6 | -179.2 | -141.6 | 0.6 | 114.4 | F221 | F221-R224 PolarHBondContact O-N 2.83Š|
| 225 | V | 82.7 | Confident | 80.5 | Confident | 104 Ų | 104 | 134.3 Ų | 134.3 | 63% | 0.63 | 68% | 0.684 | S | S | * | * | | | trans | -95.9 | 104.1 | 179 | 175.4 | 0 | 0 | 0 | 0 | 110.3 | F221 | F221-V225 HydrophobicContact CB-CG2 3.85Å; F221-V225 HydrophobicContact CD1-CG2 4.27Å; F221-V225 HydrophobicContact CG-CG2 4.32Å; F221-V225 PolarHBondContact O-N 3.04Å |
| 226 | Q | 82.4 | Confident | 81.2 | Confident | 176 Ų | 176 | 133.2 Ų | 133.2 | 82% | 0.822 | 69% | 0.689 | S | S | * | * | | | trans | -92 | 151.8 | 169.2 | -64.9 | -179.9 | -6.6 | 0 | 0 | 111 | K228 | Q226-K228 PolarHBondContact O-N 3.27Š|
| 227 | S | 85.8 | Confident | 81.9 | Confident | 95 Ų | 95 | 135.7 Ų | 135.7 | 66% | 0.664 | 69% | 0.691 | S | S | * | * | | | trans | -70.7 | 124.9 | 176 | 49.8 | 0 | 0 | 0 | 0 | 111.7 | I229 | S227-I229 PolarHBondContact O-N 3.42Š|
| 228 | K | 87.9 | Confident | 82.2 | Confident | 216 Ų | 216 | 134.1 Ų | 134.1 | 94% | 0.939 | 69% | 0.692 | S | S | * | * | S | Bend | trans | -79.2 | 25.5 | 175.9 | -59.3 | -174.6 | 178.8 | -176.5 | 0 | 113.8 | Q226 | Q226-K228 PolarHBondContact O-N 3.27Š|
| 229 | I | 84.3 | Confident | 82.6 | Confident | 132 Ų | 132 | 130.3 Ų | 130.3 | 68% | 0.677 | 69% | 0.686 | S | S | * | * | S | Bend | trans | -127.1 | 125.3 | -175.2 | -58.7 | 176.4 | 0 | 0 | 0 | 107.7 | S227 S231 | S227-I229 PolarHBondContact O-N 3.42Å; I229-S231 PolarHBondContact O-N 3.05Å |
| 230 | G | 84.1 | Confident | 82.8 | Confident | 46 Ų | 46 | 128.3 Ų | 128.3 | 47% | 0.474 | 69% | 0.689 | S | S | . | * | | | trans | -72.6 | 62.1 | 176 | 0 | 0 | 0 | 0 | 0 | 113.2 | L232 D233 | G230-L232 PolarHBondContact O-N 2.83Å; G230-D233 VanDerWaalsContact C-OD1 3.22Å; G230-D233 VanDerWaalsContact CA-CG 3.49Å; G230-D233 WeakPolarHBondContact CA-OD1 3.19Å; G230-D233 WeakPolarHBondContact CA-OD2 3.27Å; G230-D233 VanDerWaalsContact O-CG 3.23Å |
| 231 | S | 85.4 | Confident | 83 | Confident | 94 Ų | 94 | 125.6 Ų | 125.6 | 66% | 0.657 | 69% | 0.69 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -72.6 | -15.7 | -176.8 | 56.4 | 0 | 0 | 0 | 0 | 113.8 | I229 | I229-S231 PolarHBondContact O-N 3.05Š|
| 232 | L | 85.6 | Confident | 82.9 | Confident | 113 Ų | 113 | 123.6 Ų | 123.6 | 59% | 0.592 | 70% | 0.703 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -114.6 | 7.5 | -176.3 | -57.3 | -177.1 | 0 | 0 | 0 | 113.4 | G230 N234 I235 | G230-L232 PolarHBondContact O-N 2.83Å; L232-N234 PolarHBondContact O-N 3.02Å; L232-I235 HydrophobicContact CB-CB 4.41Å; L232-I235 HydrophobicContact CB-CG2 4.48Å; L232-I235 HydrophobicContact CD2-CD1 4.41Å; L232-I235 VanDerWaalsContact O-CB 3.27Å; L232-I235 WeakPolarHBondContact O-CB 3.42Å; L232-I235 WeakPolarHBondContact O-CG2 3.33Å; L232-I235 PolarHBondContact O-N 2.9Å |
| 233 | D | 87.6 | Confident | 82.8 | Confident | 122 Ų | 122 | 122.1 Ų | 122.1 | 65% | 0.652 | 70% | 0.703 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -58.3 | -24.1 | -172.6 | -62.2 | 5.4 | 0 | 0 | 0 | 113.6 | G230 | G230-D233 VanDerWaalsContact C-OD1 3.22Å; G230-D233 VanDerWaalsContact CA-CG 3.49Å; G230-D233 WeakPolarHBondContact CA-OD1 3.19Å; G230-D233 WeakPolarHBondContact CA-OD2 3.27Å; G230-D233 VanDerWaalsContact O-CG 3.23Å |
| 234 | N | 83.7 | Confident | 82.8 | Confident | 135 Ų | 135 | 124.1 Ų | 124.1 | 72% | 0.722 | 70% | 0.704 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -103.5 | 8.9 | 177.7 | -66.6 | -71.3 | 0 | 0 | 0 | 114.2 | L232 T236 H237 | L232-N234 PolarHBondContact O-N 3.02Å; N234-T236 PolarHBondContact O-N 3.33Å; N234-T236 VanDerWaalsContact O-N 3.13Å; N234-H237 VanDerWaalsContact O-CB 3.29Å; N234-H237 WeakPolarHBondContact O-CB 3.29Å; N234-H237 PolarHBondContact O-N 3.14Å |
| 235 | I | 86.4 | Confident | 82.9 | Confident | 132 Ų | 132 | 123.1 Ų | 123.1 | 68% | 0.677 | 71% | 0.706 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -61.4 | -25.1 | -175 | -162.5 | 173.8 | 0 | 0 | 0 | 113.3 | L232 H237 | L232-I235 HydrophobicContact CB-CB 4.41Å; L232-I235 HydrophobicContact CB-CG2 4.48Å; L232-I235 HydrophobicContact CD2-CD1 4.41Å; L232-I235 VanDerWaalsContact O-CB 3.27Å; L232-I235 WeakPolarHBondContact O-CB 3.42Å; L232-I235 WeakPolarHBondContact O-CG2 3.33Å; L232-I235 PolarHBondContact O-N 2.9Å; I235-H237 VanDerWaalsContact C-N 3.34Å |
| 236 | T | 88 | Confident | 82.7 | Confident | 122 Ų | 122 | 125.1 Ų | 125.1 | 75% | 0.748 | 71% | 0.711 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -84.5 | -1.3 | 177.6 | 53.1 | 0 | 0 | 0 | 0 | 113.9 | N234 V238 | N234-T236 PolarHBondContact O-N 3.33Å; N234-T236 VanDerWaalsContact O-N 3.13Å; T236-V238 PolarHBondContact O-N 3.45Å |
| 237 | H | 87.4 | Confident | 82.5 | Confident | 135 Ų | 135 | 124.5 Ų | 124.5 | 63% | 0.625 | 71% | 0.709 | S | S | * | * | | | trans | -73.6 | 95.2 | 179.5 | 176.8 | -81.5 | 0 | 0 | 0 | 111.6 | N234 I235 | N234-H237 VanDerWaalsContact O-CB 3.29Å; N234-H237 WeakPolarHBondContact O-CB 3.29Å; N234-H237 PolarHBondContact O-N 3.14Å; I235-H237 VanDerWaalsContact C-N 3.34Å |
| 238 | V | 84.8 | Confident | 81.8 | Confident | 125 Ų | 125 | 125.9 Ų | 125.9 | 76% | 0.758 | 71% | 0.713 | S | S | * | * | | | trans | -75.7 | 124.2 | 166.9 | -177.5 | 0 | 0 | 0 | 0 | 109.1 | T236 G240 | T236-V238 PolarHBondContact O-N 3.45Å; V238-G240 PolarHBondContact O-N 3.2Å |
| 239 | P | 82.5 | Confident | 81.3 | Confident | 102 Ų | 102 | 123.3 Ų | 123.3 | 66% | 0.662 | 70% | 0.704 | S | S | * | * | | | trans | -71 | 104.4 | -176.9 | 28.1 | -34.5 | 0 | 0 | 0 | 111.8 | G241 | P239-G241 PolarHBondContact O-N 3.03Š|
| 240 | G | 81.5 | Confident | 80.8 | Confident | 56 Ų | 56 | 125.7 Ų | 125.7 | 58% | 0.577 | 71% | 0.709 | S | S | * | * | | | trans | -71.2 | 39.4 | 177.4 | 0 | 0 | 0 | 0 | 0 | 115.6 | V238 | V238-G240 PolarHBondContact O-N 3.2Š|
| 241 | G | 80.3 | Confident | 80.3 | Confident | 64 Ų | 64 | 129.6 Ų | 129.6 | 66% | 0.66 | 72% | 0.719 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -69.4 | 152.4 | 178.9 | 0 | 0 | 0 | 0 | 0 | 112.9 | P239 N243 | P239-G241 PolarHBondContact O-N 3.03Å; G241-N243 VanDerWaalsContact C-N 3.3Å; G241-N243 PolarHBondContact O-N 3.48Å |
| 242 | G | 73.6 | Confident | 79.4 | Confident | 77 Ų | 77 | 129.8 Ų | 129.8 | 79% | 0.794 | 72% | 0.716 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 85.8 | -18.4 | 177.9 | 0 | 0 | 0 | 0 | 0 | 115.7 | K244 | G242-K244 PolarHBondContact O-N 3.03Å; G242-K244 VanDerWaalsContact O-N 3.15Å |
| 243 | N | 71.1 | Confident | 78.6 | Confident | 142 Ų | 142 | 131.2 Ų | 131.2 | 76% | 0.759 | 72% | 0.718 | S | S | * | * | | | trans | -67.2 | -15.1 | -175.9 | -68.2 | -15.6 | 0 | 0 | 0 | 115 | G241 | G241-N243 VanDerWaalsContact C-N 3.3Å; G241-N243 PolarHBondContact O-N 3.48Å |
| 244 | K | 76.5 | Confident | 77.6 | Confident | 201 Ų | 201 | 137.3 Ų | 137.3 | 87% | 0.874 | 73% | 0.732 | S | S | * | * | | | trans | -96.6 | 95.8 | 173.8 | -70.7 | -170.5 | 178.1 | -175.6 | 0 | 110.5 | G242 I246 | G242-K244 PolarHBondContact O-N 3.03Å; G242-K244 VanDerWaalsContact O-N 3.15Å; K244-I246 PolarHBondContact O-N 3.36Å |
| 245 | K | 78.8 | Confident | 76.9 | Confident | 197 Ų | 197 | 139.6 Ų | 139.6 | 86% | 0.857 | 74% | 0.738 | S | S | * | * | | | trans | -68.9 | 123.7 | 169.2 | -171.3 | 177.7 | -177.1 | -178.6 | 0 | 109.3 | | |
| 246 | I | 79.3 | Confident | 76 | Confident | 146 Ų | 146 | 139.8 Ų | 139.8 | 75% | 0.749 | 74% | 0.74 | S | S | * | * | | | trans | -74.1 | 127.8 | 174.6 | -59.7 | 174.9 | 0 | 0 | 0 | 108.3 | K244 T248 | K244-I246 PolarHBondContact O-N 3.36Å; I246-T248 PolarHBondContact O-N 3.26Å; I246-T248 PolarHBondContact O-OG1 2.73Å |
| 247 | E | 76.9 | Confident | 74.9 | Confident | 163 Ų | 163 | 137.6 Ų | 137.6 | 76% | 0.762 | 74% | 0.735 | S | S | * | * | | | trans | -74 | 115.7 | 178.7 | -65.7 | -173.4 | 142.7 | 0 | 0 | 110.9 | H249 | E247-H249 PolarHBondContact O-N 3.04Š|
| 248 | T | 72.9 | Confident | 74 | Confident | 124 Ų | 124 | 140.3 Ų | 140.3 | 76% | 0.761 | 75% | 0.745 | S | S | * | * | | | trans | -98.8 | 82.1 | -172 | -38.1 | 0 | 0 | 0 | 0 | 111.4 | I246 K250 | I246-T248 PolarHBondContact O-N 3.26Å; I246-T248 PolarHBondContact O-OG1 2.73Å; T248-K250 VanDerWaalsContact C-N 3.28Å; T248-K250 PolarHBondContact O-N 3.47Å |
| 249 | H | 77.4 | Confident | 73.4 | Confident | 161 Ų | 161 | 138.7 Ų | 138.7 | 75% | 0.745 | 74% | 0.744 | S | S | * | * | | | trans | -69.4 | 81.1 | 173.1 | -75.6 | -84 | 0 | 0 | 0 | 111.7 | E247 L251 | E247-H249 PolarHBondContact O-N 3.04Å; H249-L251 PolarHBondContact O-N 3.02Å |
| 250 | K | 73.9 | Confident | 72.9 | Confident | 182 Ų | 182 | 143.7 Ų | 143.7 | 79% | 0.791 | 76% | 0.756 | S | S | * | * | | | trans | -77.1 | 99 | 179.6 | -169.7 | -180 | -177.7 | -176.5 | 0 | 110.7 | T248 T252 | T248-K250 VanDerWaalsContact C-N 3.28Å; T248-K250 PolarHBondContact O-N 3.47Å; K250-T252 PolarHBondContact O-N 3.15Å |
| 251 | L | 71.8 | Confident | 72.6 | Confident | 128 Ų | 128 | 146.6 Ų | 146.6 | 67% | 0.67 | 76% | 0.762 | S | S | * | * | | | trans | -70 | 113.3 | -175.7 | -63.1 | 165.2 | 0 | 0 | 0 | 112.2 | H249 F253 | H249-L251 PolarHBondContact O-N 3.02Å; L251-F253 VanDerWaalsContact C-N 3.3Å; L251-F253 HydrophobicContact CB-CD2 3.91Å; L251-F253 HydrophobicContact CB-CE2 3.73Å; L251-F253 HydrophobicContact CB-CZ 4.25Å; L251-F253 HydrophobicContact CD1-CE2 3.86Å; L251-F253 HydrophobicContact CD1-CZ 4.38Å; L251-F253 HydrophobicContact CD2-CE2 4.18Å; L251-F253 HydrophobicContact CD2-CZ 3.96Å; L251-F253 HydrophobicContact CG-CE2 4.12Å; L251-F253 HydrophobicContact CG-CZ 4.42Å; L251-F253 PolarHBondContact O-N 3.35Å |
| 252 | T | 67.4 | Low | 72.1 | Confident | 99 Ų | 99 | 149.6 Ų | 149.6 | 61% | 0.607 | 76% | 0.763 | S | S | * | * | | | trans | -88.4 | 37.1 | -173.5 | 47.4 | 0 | 0 | 0 | 0 | 114.1 | K250 R254 | K250-T252 PolarHBondContact O-N 3.15Å; T252-R254 VanDerWaalsContact C-N 3.26Å; T252-R254 PolarHBondContact O-N 2.91Å; T252-R254 VanDerWaalsContact O-N 3.14Å |
| 253 | F | 68.6 | Low | 71.7 | Confident | 142 Ų | 142 | 152.3 Ų | 152.3 | 62% | 0.623 | 76% | 0.755 | S | S | * | * | H | α-helix | trans | -63.2 | -23.4 | -172.5 | -64.1 | -48.1 | 0 | 0 | 0 | 115.4 | L251 E255 N256 A257 | L251-F253 VanDerWaalsContact C-N 3.3Å; L251-F253 HydrophobicContact CB-CD2 3.91Å; L251-F253 HydrophobicContact CB-CE2 3.73Å; L251-F253 HydrophobicContact CB-CZ 4.25Å; L251-F253 HydrophobicContact CD1-CE2 3.86Å; L251-F253 HydrophobicContact CD1-CZ 4.38Å; L251-F253 HydrophobicContact CD2-CE2 4.18Å; L251-F253 HydrophobicContact CD2-CZ 3.96Å; L251-F253 HydrophobicContact CG-CE2 4.12Å; L251-F253 HydrophobicContact CG-CZ 4.42Å; L251-F253 PolarHBondContact O-N 3.35Å; F253-E255 PolarHBondContact O-N 2.83Å; F253-E255 VanDerWaalsContact O-N 3.16Å; F253-N256 PolarHBondContact O-N 3.17Å; F253-A257 WeakPolarHBondContact O-CB 3.31Å; F253-A257 PolarHBondContact O-N 3.48Å |
| 254 | R | 67.7 | Low | 71.4 | Confident | 251 Ų | 251 | 149 Ų | 149 | 95% | 0.947 | 76% | 0.755 | S | S | * | * | H | α-helix | trans | -64.4 | -21.2 | -173.1 | -63.8 | -174.3 | 76.6 | 149.9 | 2.5 | 114.9 | T252 | T252-R254 VanDerWaalsContact C-N 3.26Å; T252-R254 PolarHBondContact O-N 2.91Å; T252-R254 VanDerWaalsContact O-N 3.14Å |
| 255 | E | 68.2 | Low | 71.1 | Confident | 182 Ų | 182 | 143 Ų | 143 | 85% | 0.85 | 74% | 0.742 | S | S | * | * | H | α-helix | trans | -101.5 | -30.3 | -175.5 | -161 | 160.3 | -141.1 | 0 | 0 | 112.3 | F253 | F253-E255 PolarHBondContact O-N 2.83Å; F253-E255 VanDerWaalsContact O-N 3.16Å |
| 256 | N | 66.5 | Low | 70.7 | Confident | 136 Ų | 136 | 142.2 Ų | 142.2 | 73% | 0.727 | 74% | 0.741 | S | S | * | * | H | α-helix | trans | -92.2 | -13.5 | 177.5 | -72.1 | -49 | 0 | 0 | 0 | 114.1 | F253 K258 | F253-N256 PolarHBondContact O-N 3.17Å; N256-K258 PolarHBondContact O-N 3.12Å |
| 257 | A | 65.4 | Low | 70.2 | Confident | 76 Ų | 76 | 141.6 Ų | 141.6 | 63% | 0.628 | 74% | 0.738 | S | S | * | * | | | trans | -75.9 | 82.9 | -179.6 | 0 | 0 | 0 | 0 | 0 | 112.6 | F253 | F253-A257 WeakPolarHBondContact O-CB 3.31Å; F253-A257 PolarHBondContact O-N 3.48Å |
| 258 | K | 69 | Low | 69.9 | Low | 192 Ų | 192 | 139.1 Ų | 139.1 | 84% | 0.835 | 73% | 0.734 | S | S | * | * | | | trans | -66 | 133.4 | 162.1 | -68.9 | -167.4 | 176.2 | -172.6 | 0 | 110 | N256 K260 | N256-K258 PolarHBondContact O-N 3.12Å; K258-K260 PolarHBondContact O-N 3.38Å |
| 259 | A | 72.9 | Confident | 69.4 | Low | 91 Ų | 91 | 142.3 Ų | 142.3 | 75% | 0.752 | 73% | 0.733 | S | S | * | * | | | trans | -63.3 | 108.6 | 174.8 | 0 | 0 | 0 | 0 | 0 | 110.4 | T261 | A259-T261 PolarHBondContact O-N 3.19Š|
| 260 | K | 72.3 | Confident | 69.1 | Low | 208 Ų | 208 | 143.6 Ų | 143.6 | 90% | 0.904 | 74% | 0.737 | S | S | * | * | | | trans | -87 | 53.5 | 169.1 | -68.4 | -171.8 | 176.8 | -175.3 | 0 | 110.4 | K258 D262 | K258-K260 PolarHBondContact O-N 3.38Å; K260-D262 PolarHBondContact O-N 3.4Å |
| 261 | T | 73.7 | Confident | 68 | Low | 116 Ų | 116 | 138.7 Ų | 138.7 | 71% | 0.712 | 73% | 0.726 | S | S | * | * | | | trans | -84.3 | 87.6 | 172.8 | -51.6 | 0 | 0 | 0 | 0 | 108 | A259 | A259-T261 PolarHBondContact O-N 3.19Š|
| 262 | D | 70.6 | Confident | 67.5 | Low | 127 Ų | 127 | 138 Ų | 138 | 68% | 0.679 | 73% | 0.729 | S | S | * | * | | | trans | -78 | 119.5 | 156.3 | -173.6 | 18.6 | 0 | 0 | 0 | 108.4 | K260 G264 | K260-D262 PolarHBondContact O-N 3.4Å; D262-G264 PolarHBondContact O-N 3.36Å |
| 263 | H | 64 | Low | 66.6 | Low | 135 Ų | 135 | 139.8 Ų | 139.8 | 63% | 0.625 | 74% | 0.739 | S | S | * | * | | | trans | -67.3 | 76.5 | 159.3 | 30 | 37 | 0 | 0 | 0 | 108.9 | A265 | H263-A265 PolarHBondContact O-N 3.35Š|
| 264 | G | 65.6 | Low | 65.8 | Low | 73 Ų | 73 | 139 Ų | 139 | 75% | 0.753 | 75% | 0.746 | S | S | * | * | | | trans | -70.3 | 46.1 | -178 | 0 | 0 | 0 | 0 | 0 | 114.7 | D262 | D262-G264 PolarHBondContact O-N 3.36Š|
| 265 | A | 70.4 | Confident | 64.8 | Low | 73 Ų | 73 | 132.8 Ų | 132.8 | 60% | 0.603 | 74% | 0.741 | S | S | * | * | S | Bend | trans | -143.6 | 133.3 | 171.8 | 0 | 0 | 0 | 0 | 0 | 107.9 | H263 I267 | H263-A265 PolarHBondContact O-N 3.35Å; A265-I267 PolarHBondContact O-N 3.13Å |
| 266 | E | 70.5 | Confident | 63.7 | Low | 181 Ų | 181 | 127.9 Ų | 127.9 | 85% | 0.846 | 74% | 0.739 | S | S | * | * | | | trans | -62.2 | 112.1 | 178.2 | -68.8 | -169.8 | 129.1 | 0 | 0 | 110.8 | V268 | E266-V268 HydrophobicContact CB-CG2 4.03Å; E266-V268 PolarHBondContact O-N 3Å |
| 267 | I | 68.1 | Low | 62.5 | Low | 134 Ų | 134 | 129 Ų | 129 | 69% | 0.687 | 75% | 0.745 | S | S | * | * | | | trans | -78.2 | 76.9 | 174 | -52.2 | -178.8 | 0 | 0 | 0 | 108.3 | A265 Y269 | A265-I267 PolarHBondContact O-N 3.13Å; I267-Y269 VanDerWaalsContact C-N 3.35Å; I267-Y269 PolarHBondContact O-N 3.17Å |
| 268 | V | 70.9 | Confident | 61.7 | Low | 110 Ų | 110 | 131.4 Ų | 131.4 | 67% | 0.667 | 75% | 0.752 | S | S | * | * | | | trans | -69.5 | 90.2 | 178.5 | -179.8 | 0 | 0 | 0 | 0 | 109.7 | E266 K270 | E266-V268 HydrophobicContact CB-CG2 4.03Å; E266-V268 PolarHBondContact O-N 3Å; V268-K270 PolarHBondContact O-N 3.07Å |
| 269 | Y | 63.7 | Low | 60.4 | Low | 191 Ų | 191 | 127.4 Ų | 127.4 | 75% | 0.749 | 75% | 0.749 | S | S | * | * | | | trans | -73.3 | 86.2 | 177.3 | -170.6 | -96.8 | 0 | 0 | 0 | 111.3 | I267 S271 | I267-Y269 VanDerWaalsContact C-N 3.35Å; I267-Y269 PolarHBondContact O-N 3.17Å; Y269-S271 PolarHBondContact O-N 3.47Å |
| 270 | K | 69.5 | Low | 59.7 | Low | 188 Ų | 188 | 129.5 Ų | 129.5 | 82% | 0.817 | 76% | 0.755 | S | S | * | * | | | trans | -74.8 | 102 | 162.8 | -83 | -167.9 | 172.2 | -174.5 | 0 | 109.6 | V268 P272 | V268-K270 PolarHBondContact O-N 3.07Å; K270-P272 WeakPolarHBondContact O-CD 3.29Å |
| 271 | S | 51.5 | Low | 58.9 | Low | 80 Ų | 80 | 130.7 Ų | 130.7 | 56% | 0.559 | 75% | 0.753 | S | S | * | * | | | trans | -62.2 | 125.1 | 169.2 | 41.2 | 0 | 0 | 0 | 0 | 111.1 | Y269 V273 | Y269-S271 PolarHBondContact O-N 3.47Å; S271-V273 PolarHBondContact O-N 3.04Å |
| 272 | P | 62.1 | Low | 57.6 | Low | 114 Ų | 114 | 132.9 Ų | 132.9 | 74% | 0.74 | 76% | 0.755 | S | S | * | * | | | trans | -69.1 | 123.1 | 167.5 | -17.8 | 32.6 | 0 | 0 | 0 | 109.7 | K270 V274 | K270-P272 WeakPolarHBondContact O-CD 3.29Å; P272-V274 PolarHBondContact O-N 3.04Å; P272-V274 VanDerWaalsContact O-N 3.09Å |
| 273 | V | 47.5 | Very low | 56.8 | Low | 136 Ų | 136 | 134 Ų | 134 | 82% | 0.824 | 76% | 0.76 | S | S | * | * | | | trans | -79.4 | 91.7 | 179.6 | -179.5 | 0 | 0 | 0 | 0 | 110.1 | S271 | S271-V273 PolarHBondContact O-N 3.04Š|
| 274 | V | 52.1 | Low | 56.2 | Low | 124 Ų | 124 | 131.8 Ų | 131.8 | 75% | 0.752 | 76% | 0.76 | S | S | * | * | | | trans | -161.3 | 121 | 148.2 | -102.3 | 0 | 0 | 0 | 0 | 112.2 | P272 | P272-V274 PolarHBondContact O-N 3.04Å; P272-V274 VanDerWaalsContact O-N 3.09Å |
| 275 | S | 45.7 | Very low | 55.4 | Low | 122 Ų | 122 | 134.8 Ų | 134.8 | 85% | 0.853 | 76% | 0.759 | S | S | * | * | | | trans | 37.7 | 122.1 | 134 | -49.3 | 0 | 0 | 0 | 0 | 121.6 | | |
| 276 | G | 46.4 | Very low | 54.6 | Low | 79 Ų | 79 | 137.3 Ų | 137.3 | 81% | 0.814 | 77% | 0.767 | S | S | * | * | | | trans | 123 | 136.7 | 142.7 | 0 | 0 | 0 | 0 | 0 | 115.8 | | |
| 277 | D | 40.9 | Very low | 53.5 | Low | 158 Ų | 158 | 133.2 Ų | 133.2 | 85% | 0.845 | 76% | 0.758 | S | S | * | * | | | trans | -64.9 | 167.1 | 175.5 | -87.5 | -71.6 | 0 | 0 | 0 | 114.5 | | |
| 278 | T | 48.4 | Very low | 52.7 | Low | 128 Ų | 128 | 132.8 Ų | 132.8 | 79% | 0.785 | 77% | 0.767 | S | S | * | * | S | Bend | trans | 87.3 | 94.4 | 168.9 | 73.1 | 0 | 0 | 0 | 0 | 118.4 | | |
| 279 | S | 43 | Very low | 51.8 | Low | 108 Ų | 108 | 133.5 Ų | 133.5 | 76% | 0.755 | 77% | 0.772 | S | S | * | * | | | trans | 33.1 | 95.2 | 142.8 | -57.1 | 0 | 0 | 0 | 0 | 119.6 | R281 | S279-R281 PolarHBondContact O-N 2.78Š|
| 280 | P | 57.5 | Low | 51.4 | Low | 135 Ų | 135 | 128.6 Ų | 128.6 | 88% | 0.877 | 78% | 0.779 | S | S | * | * | | | trans | -61.5 | 117.2 | 165.2 | -19.4 | 32.3 | 0 | 0 | 0 | 111.4 | H282 | P280-H282 PolarHBondContact O-N 2.89Š|
| 281 | R | 54.3 | Low | 50.6 | Low | 232 Ų | 232 | 123.3 Ų | 123.3 | 88% | 0.875 | 77% | 0.766 | S | S | * | * | | | trans | -78.2 | 113.4 | 175.4 | -65.5 | -159.9 | -157.5 | -175.6 | 9.1 | 111.4 | S279 L283 | S279-R281 PolarHBondContact O-N 2.78Å; R281-L283 PolarHBondContact O-N 2.9Å |
| 282 | H | 47.3 | Very low | 50.9 | Low | 162 Ų | 162 | 127.6 Ų | 127.6 | 75% | 0.75 | 78% | 0.781 | S | S | * | * | | | trans | -10.5 | 104.9 | 160.6 | -163.9 | -80.6 | 0 | 0 | 0 | 116 | P280 | P280-H282 PolarHBondContact O-N 2.89Š|
| 283 | L | 54.7 | Low | 50.5 | Low | 150 Ų | 150 | 128.1 Ų | 128.1 | 79% | 0.785 | 78% | 0.777 | S | S | * | * | | | trans | -94.7 | 158.2 | 172.8 | -70.9 | 176.6 | 0 | 0 | 0 | 111.8 | R281 | R281-L283 PolarHBondContact O-N 2.9Š|
| 284 | S | 49.7 | Very low | 50.6 | Low | 90 Ų | 90 | 130.2 Ų | 130.2 | 63% | 0.629 | 78% | 0.78 | S | S | * | * | | | trans | 58.2 | 86.2 | 167.6 | 57.3 | 0 | 0 | 0 | 0 | 118.6 | V286 | S284-V286 VanDerWaalsContact C-N 3.29Å; S284-V286 PolarHBondContact O-N 3.2Å |
| 285 | N | 50.2 | Low | 50.8 | Low | 135 Ų | 135 | 130.3 Ų | 130.3 | 72% | 0.722 | 78% | 0.781 | S | S | * | * | | | trans | -82.4 | 75.4 | 146.5 | -79.5 | 18.9 | 0 | 0 | 0 | 109.4 | S287 | N285-S287 PolarHBondContact O-N 3.2Å; N285-S287 VanDerWaalsContact O-N 3.07Å |
| 286 | V | 53.2 | Low | 51.3 | Low | 126 Ų | 126 | 130.8 Ų | 130.8 | 76% | 0.764 | 77% | 0.774 | S | S | * | * | | | trans | -83.9 | 58.1 | 175.6 | -74 | 0 | 0 | 0 | 0 | 111.6 | S284 S288 | S284-V286 VanDerWaalsContact C-N 3.29Å; S284-V286 PolarHBondContact O-N 3.2Å; V286-S288 PolarHBondContact O-N 3.07Å |
| 287 | S | 46.3 | Very low | 52 | Low | 96 Ų | 96 | 129.6 Ų | 129.6 | 67% | 0.671 | 75% | 0.753 | S | S | * | * | | | trans | -82.6 | 96.7 | -179.2 | -63 | 0 | 0 | 0 | 0 | 111.6 | N285 T289 | N285-S287 PolarHBondContact O-N 3.2Å; N285-S287 VanDerWaalsContact O-N 3.07Å; S287-T289 PolarHBondContact O-N 3.3Å |
| 288 | S | 51.7 | Low | 53.2 | Low | 124 Ų | 124 | 126.9 Ų | 126.9 | 87% | 0.867 | 74% | 0.744 | S | S | * | * | | | trans | -70 | 89.7 | 173.1 | -56 | 0 | 0 | 0 | 0 | 111.6 | V286 G290 | V286-S288 PolarHBondContact O-N 3.07Å; S288-G290 PolarHBondContact O-N 3.2Å |
| 289 | T | 51.4 | Low | 54.1 | Low | 126 Ų | 126 | 128 Ų | 128 | 77% | 0.773 | 74% | 0.74 | S | S | * | * | | | trans | -74.2 | 85.7 | 175.5 | 51.8 | 0 | 0 | 0 | 0 | 111.3 | S287 S291 | S287-T289 PolarHBondContact O-N 3.3Å; T289-S291 VanDerWaalsContact C-N 3.33Å; T289-S291 PolarHBondContact O-N 2.83Å |
| 290 | G | 55.5 | Low | 55.2 | Low | 87 Ų | 87 | 128.1 Ų | 128.1 | 90% | 0.897 | 73% | 0.732 | S | S | * | * | | | trans | -68.3 | 89.6 | 163.8 | 0 | 0 | 0 | 0 | 0 | 110.4 | S288 | S288-G290 PolarHBondContact O-N 3.2Š|
| 291 | S | 54.2 | Low | 55.7 | Low | 77 Ų | 77 | 123.8 Ų | 123.8 | 54% | 0.538 | 71% | 0.708 | S | S | . | * | | | trans | -115.2 | 128.9 | 173.9 | 154.6 | 0 | 0 | 0 | 0 | 108.4 | T289 D293 | T289-S291 VanDerWaalsContact C-N 3.33Å; T289-S291 PolarHBondContact O-N 2.83Å; S291-D293 WeakPolarHBondContact CB-OD2 3.4Å; S291-D293 WeakPolarHBondContact OG-CB 3.28Å; S291-D293 PolarHBondContact OG-N 3.25Å; S291-D293 PolarHBondContact OG-OD2 3.07Å |
| 292 | I | 56.5 | Low | 56.8 | Low | 171 Ų | 171 | 116.7 Ų | 116.7 | 88% | 0.877 | 69% | 0.69 | S | S | * | * | | | trans | -108 | 39.2 | 174.2 | -171 | 161.9 | 0 | 0 | 0 | 109.5 | M294 | I292-M294 PolarHBondContact O-N 2.99Å; I292-M294 VanDerWaalsContact O-N 3.13Å |
| 293 | D | 54 | Low | 58.5 | Low | 124 Ų | 124 | 113.4 Ų | 113.4 | 66% | 0.663 | 68% | 0.678 | S | S | * | * | | | trans | -84.8 | 90.3 | -175.8 | -68.2 | -76.1 | 0 | 0 | 0 | 111.4 | S291 V295 | S291-D293 WeakPolarHBondContact CB-OD2 3.4Å; S291-D293 WeakPolarHBondContact OG-CB 3.28Å; S291-D293 PolarHBondContact OG-N 3.25Å; S291-D293 PolarHBondContact OG-OD2 3.07Å; D293-V295 PolarHBondContact O-N 2.95Å |
| 294 | M | 49.7 | Very low | 59.8 | Low | 181 Ų | 181 | 109 Ų | 109 | 89% | 0.892 | 66% | 0.663 | S | S | * | * | | | trans | 27.5 | 77.4 | 140.5 | -62.6 | -178.5 | 61.7 | 0 | 0 | 117 | I292 | I292-M294 PolarHBondContact O-N 2.99Å; I292-M294 VanDerWaalsContact O-N 3.13Å |
| 295 | V | 56.6 | Low | 61.4 | Low | 126 Ų | 126 | 110.5 Ų | 110.5 | 76% | 0.764 | 66% | 0.664 | S | S | * | * | | | trans | -109.3 | 100.6 | 154.5 | -71.8 | 0 | 0 | 0 | 0 | 109.4 | D293 S297 | D293-V295 PolarHBondContact O-N 2.95Å; V295-S297 PolarHBondContact O-N 3.4Å; V295-S297 VanDerWaalsContact O-N 3.07Å |
| 296 | D | 55.2 | Low | 63.1 | Low | 131 Ų | 131 | 110.1 Ų | 110.1 | 70% | 0.701 | 66% | 0.657 | S | S | * | * | | | trans | -58 | 113.9 | 169.7 | -177.5 | 25.1 | 0 | 0 | 0 | 108.4 | P298 | D296-P298 WeakPolarHBondContact O-CD 3.49Š|
| 297 | S | 60.9 | Low | 64.6 | Low | 55 Ų | 55 | 108.4 Ų | 108.4 | 39% | 0.385 | 65% | 0.647 | S | S | . | * | | | trans | -80.8 | 119.2 | -170.5 | -72 | 0 | 0 | 0 | 0 | 108.6 | V295 Q299 L300 | V295-S297 PolarHBondContact O-N 3.4Å; V295-S297 VanDerWaalsContact O-N 3.07Å; S297-Q299 PolarHBondContact O-N 2.55Å; S297-L300 PolarHBondContact O-N 3.36Å |
| 298 | P | 67.9 | Low | 66.5 | Low | 101 Ų | 101 | 107.3 Ų | 107.3 | 66% | 0.656 | 64% | 0.639 | S | S | * | * | H | α-helix | trans | -61 | -19.5 | -169 | 22 | -33.8 | 0 | 0 | 0 | 113.9 | D296 L300 A301 T302 | D296-P298 WeakPolarHBondContact O-CD 3.49Å; P298-L300 VanDerWaalsContact C-N 3.34Å; P298-A301 PolarHBondContact O-N 3.46Å; P298-T302 PolarHBondContact O-N 2.96Å; P298-T302 VanDerWaalsContact O-N 3.12Å; P298-T302 PolarHBondContact O-OG1 3.47Å |
| 299 | Q | 67.2 | Low | 68.1 | Low | 151 Ų | 151 | 103.6 Ų | 103.6 | 71% | 0.706 | 62% | 0.616 | S | S | * | * | H | α-helix | trans | -65.1 | -32 | 172.3 | -65.8 | -177.9 | -29.4 | 0 | 0 | 113.4 | S297 T302 L303 | S297-Q299 PolarHBondContact O-N 2.55Å; Q299-T302 WeakPolarHBondContact CA-OG1 3.3Å; Q299-T302 PolarHBondContact O-OG1 2.88Å; Q299-L303 WeakPolarHBondContact O-CD1 3.27Å; Q299-L303 VanDerWaalsContact O-CG 3.3Å; Q299-L303 WeakPolarHBondContact O-CG 3.33Å; Q299-L303 PolarHBondContact O-N 3Å |
| 300 | L | 64.9 | Low | 69.7 | Low | 111 Ų | 111 | 100.7 Ų | 100.7 | 58% | 0.581 | 60% | 0.601 | S | S | * | * | H | α-helix | trans | -76.8 | -38.9 | 176.3 | -61 | -177.1 | 0 | 0 | 0 | 111.4 | S297 P298 L303 A304 | S297-L300 PolarHBondContact O-N 3.36Å; P298-L300 VanDerWaalsContact C-N 3.34Å; L300-L303 PolarHBondContact O-N 3.16Å; L300-A304 PolarHBondContact O-N 3.13Å |
| 301 | A | 69.6 | Low | 71.1 | Confident | 44 Ų | 44 | 102.3 Ų | 102.3 | 36% | 0.364 | 59% | 0.589 | S | S | . | * | H | α-helix | trans | -58.6 | -46.7 | 173 | 0 | 0 | 0 | 0 | 0 | 111.7 | P298 L303 A304 D305 | P298-A301 PolarHBondContact O-N 3.46Å; A301-L303 VanDerWaalsContact C-N 3.32Å; A301-L303 PolarHBondContact O-N 3.14Å; A301-A304 PolarHBondContact O-N 2.83Å; A301-D305 PolarHBondContact O-N 3.25Å; A301-D305 VanDerWaalsContact O-N 3.14Å |
| 302 | T | 77 | Confident | 72.3 | Confident | 83 Ų | 83 | 102.6 Ų | 102.6 | 51% | 0.509 | 60% | 0.596 | S | S | . | * | H | α-helix | trans | -61.6 | -36.9 | 176.4 | 44.2 | 0 | 0 | 0 | 0 | 113.5 | P298 Q299 D305 E306 | P298-T302 PolarHBondContact O-N 2.96Å; P298-T302 VanDerWaalsContact O-N 3.12Å; P298-T302 PolarHBondContact O-OG1 3.47Å; Q299-T302 WeakPolarHBondContact CA-OG1 3.3Å; Q299-T302 PolarHBondContact O-OG1 2.88Å; T302-D305 PolarHBondContact O-N 3.09Å; T302-E306 PolarHBondContact O-N 3.28Å |
| 303 | L | 81.4 | Confident | 73.4 | Confident | 93 Ų | 93 | 102.9 Ų | 102.9 | 49% | 0.487 | 59% | 0.59 | S | S | . | * | H | α-helix | trans | -70.3 | -33.8 | 177.2 | -71.9 | 168.7 | 0 | 0 | 0 | 112.2 | Q299 L300 A301 E306 V307 | Q299-L303 WeakPolarHBondContact O-CD1 3.27Å; Q299-L303 VanDerWaalsContact O-CG 3.3Å; Q299-L303 WeakPolarHBondContact O-CG 3.33Å; Q299-L303 PolarHBondContact O-N 3Å; L300-L303 PolarHBondContact O-N 3.16Å; A301-L303 VanDerWaalsContact C-N 3.32Å; A301-L303 PolarHBondContact O-N 3.14Å; L303-E306 PolarHBondContact O-N 2.94Å; L303-V307 VanDerWaalsContact O-CG2 3.31Å; L303-V307 WeakPolarHBondContact O-CG2 3.39Å; L303-V307 PolarHBondContact O-N 3.27Å |
| 304 | A | 82.1 | Confident | 74.2 | Confident | 57 Ų | 57 | 104.9 Ų | 104.9 | 47% | 0.471 | 60% | 0.596 | S | S | . | * | H | α-helix | trans | -65.6 | -40.1 | 174.7 | 0 | 0 | 0 | 0 | 0 | 112 | L300 A301 S308 | L300-A304 PolarHBondContact O-N 3.13Å; A301-A304 PolarHBondContact O-N 2.83Å; A304-S308 WeakPolarHBondContact O-CB 3.39Å; A304-S308 PolarHBondContact O-N 3.4Å; A304-S308 PolarHBondContact O-OG 2.93Å |
| 305 | D | 85 | Confident | 74.7 | Confident | 122 Ų | 122 | 99.6 Ų | 99.6 | 65% | 0.652 | 59% | 0.588 | S | S | * | * | H | α-helix | trans | -66.7 | -44 | 173.6 | -88 | -22.1 | 0 | 0 | 0 | 112.1 | A301 T302 V307 S308 A309 | A301-D305 PolarHBondContact O-N 3.25Å; A301-D305 VanDerWaalsContact O-N 3.14Å; T302-D305 PolarHBondContact O-N 3.09Å; D305-V307 PolarHBondContact O-N 3.3Å; D305-S308 PolarHBondContact O-N 3.32Å; D305-A309 VanDerWaalsContact O-CB 3.27Å; D305-A309 WeakPolarHBondContact O-CB 3.48Å; D305-A309 PolarHBondContact O-N 2.85Å |
| 306 | E | 84.7 | Confident | 74.4 | Confident | 126 Ų | 126 | 105.1 Ų | 105.1 | 59% | 0.589 | 61% | 0.612 | S | S | * | * | H | α-helix | trans | -62.2 | -41 | 177.4 | -77.3 | -164.6 | 121 | 0 | 0 | 112.8 | T302 L303 S310 | T302-E306 PolarHBondContact O-N 3.28Å; L303-E306 PolarHBondContact O-N 2.94Å; E306-S310 VanDerWaalsContact O-CB 3.29Å; E306-S310 WeakPolarHBondContact O-CB 3.09Å; E306-S310 PolarHBondContact O-N 3.02Å; E306-S310 PolarHBondContact O-OG 2.97Å |
| 307 | V | 85.2 | Confident | 75.4 | Confident | 90 Ų | 90 | 103.8 Ų | 103.8 | 55% | 0.545 | 61% | 0.608 | S | S | . | * | H | α-helix | trans | -65.2 | -43.8 | 175.3 | 170.2 | 0 | 0 | 0 | 0 | 110.8 | L303 D305 S310 L311 | L303-V307 VanDerWaalsContact O-CG2 3.31Å; L303-V307 WeakPolarHBondContact O-CG2 3.39Å; L303-V307 PolarHBondContact O-N 3.27Å; D305-V307 PolarHBondContact O-N 3.3Å; V307-S310 PolarHBondContact O-N 2.7Å; V307-L311 PolarHBondContact O-N 2.83Å |
| 308 | S | 86.2 | Confident | 76.1 | Confident | 73 Ų | 73 | 106.4 Ų | 106.4 | 51% | 0.51 | 62% | 0.619 | S | S | . | * | H | α-helix | trans | -64.5 | -44.5 | 179 | -59 | 0 | 0 | 0 | 0 | 112.1 | A304 D305 S310 L311 A312 | A304-S308 WeakPolarHBondContact O-CB 3.39Å; A304-S308 PolarHBondContact O-N 3.4Å; A304-S308 PolarHBondContact O-OG 2.93Å; D305-S308 PolarHBondContact O-N 3.32Å; S308-S310 VanDerWaalsContact C-N 3.27Å; S308-S310 PolarHBondContact O-N 3.08Å; S308-L311 PolarHBondContact O-N 3.49Å; S308-A312 PolarHBondContact O-N 3.22Å |
| 309 | A | 85.3 | Confident | 76.6 | Confident | 46 Ų | 46 | 106.7 Ų | 106.7 | 38% | 0.38 | 62% | 0.617 | S | S | . | * | H | α-helix | trans | -67.1 | -26.2 | 175.2 | 0 | 0 | 0 | 0 | 0 | 113 | D305 K313 | D305-A309 VanDerWaalsContact O-CB 3.27Å; D305-A309 WeakPolarHBondContact O-CB 3.48Å; D305-A309 PolarHBondContact O-N 2.85Å; A309-K313 WeakPolarHBondContact O-CD 3.39Å; A309-K313 VanDerWaalsContact O-CG 3.28Å; A309-K313 WeakPolarHBondContact O-CG 3.43Å; A309-K313 PolarHBondContact O-N 3.03Å |
| 310 | S | 85.6 | Confident | 77.1 | Confident | 66 Ų | 66 | 104.1 Ų | 104.1 | 46% | 0.462 | 61% | 0.612 | S | S | . | * | H | α-helix | trans | -76.2 | -41.6 | 174.7 | -62 | 0 | 0 | 0 | 0 | 111.9 | E306 V307 S308 K313 Q314 | E306-S310 VanDerWaalsContact O-CB 3.29Å; E306-S310 WeakPolarHBondContact O-CB 3.09Å; E306-S310 PolarHBondContact O-N 3.02Å; E306-S310 PolarHBondContact O-OG 2.97Å; V307-S310 PolarHBondContact O-N 2.7Å; S308-S310 VanDerWaalsContact C-N 3.27Å; S308-S310 PolarHBondContact O-N 3.08Å; S310-K313 PolarHBondContact O-N 2.9Å; S310-Q314 PolarHBondContact O-N 2.72Å |
| 311 | L | 83.6 | Confident | 77.9 | Confident | 120 Ų | 120 | 103.6 Ų | 103.6 | 63% | 0.628 | 61% | 0.614 | S | S | * | * | H | α-helix | trans | -60.7 | -46.4 | 172.6 | -109.6 | 67.2 | 0 | 0 | 0 | 111.4 | V307 S308 K313 Q314 | V307-L311 PolarHBondContact O-N 2.83Å; S308-L311 PolarHBondContact O-N 3.49Å; L311-K313 PolarHBondContact O-N 3.29Å; L311-K313 VanDerWaalsContact O-N 3.15Å; L311-Q314 PolarHBondContact O-N 3.34Å |
| 312 | A | 81 | Confident | 78.5 | Confident | 83 Ų | 83 | 107.6 Ų | 107.6 | 69% | 0.686 | 63% | 0.631 | S | S | * | * | H | α-helix | trans | -59.3 | -27.1 | 178.6 | 0 | 0 | 0 | 0 | 0 | 113.4 | S308 | S308-A312 PolarHBondContact O-N 3.22Å |
| 313 | K | 78 | Confident | 78.6 | Confident | 177 Ų | 177 | 109.4 Ų | 109.4 | 77% | 0.77 | 64% | 0.639 | S | S | * | * | H | α-helix | trans | -80.2 | -16.1 | 175.2 | -73.6 | 168.1 | -175 | 169.9 | 0 | 114.1 | A309 S310 L311 | A309-K313 WeakPolarHBondContact O-CD 3.39Å; A309-K313 VanDerWaalsContact O-CG 3.28Å; A309-K313 WeakPolarHBondContact O-CG 3.43Å; A309-K313 PolarHBondContact O-N 3.03Å; S310-K313 PolarHBondContact O-N 2.9Å; L311-K313 PolarHBondContact O-N 3.29Å; L311-K313 VanDerWaalsContact O-N 3.15Å |
| 314 | Q | 71 | Confident | 78.3 | Confident | 166 Ų | 166 | 110.6 Ų | 110.6 | 78% | 0.776 | 65% | 0.651 | S | S | * | * | H | α-helix | trans | -92.9 | -8 | -179.3 | -70.8 | -163.6 | -38.1 | 0 | 0 | 114.3 | S310 L311 | S310-Q314 PolarHBondContact O-N 2.72Å; L311-Q314 PolarHBondContact O-N 3.34Å |
| 315 | G | 60.2 | Low | 78 | Confident | 71 Ų | 71 | 115.1 Ų | 115.1 | 73% | 0.732 | 67% | 0.666 | S | S | * | * | | | trans | 64.1 | 46.6 | 163.1 | 0 | 0 | 0 | 0 | 0 | 115.2 | | |
| 316 | L | 50.7 | Low | 77.4 | Confident | 241 Ų | 241 | 114.5 Ų | 114.5 | 100% | 1.262 | 67% | 0.667 | S | S | * | * | | | trans | -90.1 | 0 | 172.3 | -156.6 | 79 | 0 | 0 | 0 | 111.6 | | |