| 1 | M | 43.7 | Very low | 41.1 | Very low | 237 Ų | 237 | 146.7 Ų | 146.7 | 100% | 1.167 | 79% | 0.788 | S | S | * | * | | | | 0 | 94 | 0 | -52.1 | 172.2 | -161.2 | 0 | 0 | 104.9 | | |
| 2 | Y | 34.9 | Very low | 40.8 | Very low | 220 Ų | 220 | 142.3 Ų | 142.3 | 86% | 0.863 | 78% | 0.777 | S | S | * | * | | | | 49.1 | 105.4 | 77.7 | -92.1 | -80.3 | 0 | 0 | 0 | 112.9 | | |
| 3 | Q | 47.9 | Very low | 41.8 | Very low | 159 Ų | 159 | 140.3 Ų | 140.3 | 74% | 0.743 | 78% | 0.776 | S | S | * | * | | | | -156.5 | 136 | 107 | -156.2 | 71 | 64.4 | 0 | 0 | 109.9 | | |
| 4 | S | 43.8 | Very low | 41.5 | Very low | 106 Ų | 106 | 143.3 Ų | 143.3 | 74% | 0.741 | 77% | 0.771 | S | S | * | * | | | trans | -135.1 | 141.8 | 167.4 | -54.5 | 0 | 0 | 0 | 0 | 108.3 | | |
| 5 | L | 53.5 | Low | 42.3 | Very low | 150 Ų | 150 | 141.8 Ų | 141.8 | 79% | 0.785 | 77% | 0.772 | S | S | * | * | | | trans | -142.1 | 118.6 | 172.6 | -64.7 | 173.5 | 0 | 0 | 0 | 106.2 | | |
| 6 | A | 43.8 | Very low | 42.4 | Very low | 78 Ų | 78 | 142.4 Ų | 142.4 | 65% | 0.645 | 77% | 0.768 | S | S | * | * | | | | 71.7 | 111.3 | 72.4 | 0 | 0 | 0 | 0 | 0 | 111.2 | | |
| 7 | L | 41.3 | Very low | 42 | Very low | 172 Ų | 172 | 141.4 Ų | 141.4 | 90% | 0.901 | 76% | 0.762 | S | S | * | * | | | | 64.5 | 134.6 | 76.8 | -65.7 | 167 | 0 | 0 | 0 | 111.8 | | |
| 8 | S | 36.6 | Very low | 42.2 | Very low | 104 Ų | 104 | 140.3 Ų | 140.3 | 73% | 0.727 | 76% | 0.761 | S | S | * | * | | | cis | -156.2 | -164.2 | 20.2 | -160 | 0 | 0 | 0 | 0 | 113.8 | | |
| 9 | S | 35.8 | Very low | 41.9 | Very low | 87 Ų | 87 | 136.7 Ų | 136.7 | 61% | 0.608 | 76% | 0.76 | S | S | * | * | | | trans | -38.6 | 168.8 | 168.8 | 65 | 0 | 0 | 0 | 0 | 117 | | |
| 10 | N | 36 | Very low | 41.6 | Very low | 125 Ų | 125 | 137.8 Ų | 137.8 | 67% | 0.668 | 76% | 0.764 | S | S | * | * | | | cis | -174.2 | 164.4 | 47.8 | -146.8 | -42.4 | 0 | 0 | 0 | 115.7 | | |
| 11 | Q | 34.4 | Very low | 41.6 | Very low | 176 Ų | 176 | 140.6 Ų | 140.6 | 82% | 0.822 | 77% | 0.765 | S | S | * | * | | | trans | 82.6 | 148 | 145.7 | -112.2 | 149.6 | 95.1 | 0 | 0 | 124.4 | | |
| 12 | S | 38.5 | Very low | 41.7 | Very low | 94 Ų | 94 | 137.1 Ų | 137.1 | 66% | 0.657 | 75% | 0.749 | S | S | * | * | | | trans | -108.6 | 179.2 | -173.6 | -156.4 | 0 | 0 | 0 | 0 | 110.1 | | |
| 13 | P | 53.5 | Low | 42.1 | Very low | 116 Ų | 116 | 134.7 Ų | 134.7 | 75% | 0.753 | 75% | 0.745 | S | S | * | * | | | | -153.2 | 158.7 | 72.2 | 38.9 | -17.5 | 0 | 0 | 0 | 119.3 | | |
| 14 | Y | 37.6 | Very low | 42.1 | Very low | 182 Ų | 182 | 133 Ų | 133 | 71% | 0.714 | 75% | 0.748 | S | S | * | * | | | trans | 7.9 | 167.8 | 139 | -69 | -64.1 | 0 | 0 | 0 | 123.6 | H16 | Y14-H16 HydrophobicContact CD1-CB 4.08Å; Y14-H16 AromaticContact CD1-CD2 3.82Å; Y14-H16 AromaticContact CE1-CD2 3.56Å |
| 15 | P | 53.3 | Low | 41.8 | Very low | 121 Ų | 121 | 133.6 Ų | 133.6 | 79% | 0.786 | 75% | 0.752 | S | S | * | * | | | cis | -122.3 | 178.4 | 13.5 | 43.3 | -29.4 | 0 | 0 | 0 | 114.8 | | |
| 16 | H | 43.2 | Very low | 41.4 | Very low | 151 Ų | 151 | 131.2 Ų | 131.2 | 70% | 0.699 | 75% | 0.754 | S | S | * | * | | | cis | 98.8 | 113 | 7.3 | -131.3 | -20.8 | 0 | 0 | 0 | 119.4 | Y14 | Y14-H16 HydrophobicContact CD1-CB 4.08Å; Y14-H16 AromaticContact CD1-CD2 3.82Å; Y14-H16 AromaticContact CE1-CD2 3.56Å |
| 17 | D | 36.8 | Very low | 41.1 | Very low | 126 Ų | 126 | 133.3 Ų | 133.3 | 67% | 0.674 | 76% | 0.764 | S | S | * | * | | | trans | -141.7 | 172.6 | 150.1 | -140.3 | -19.8 | 0 | 0 | 0 | 104.4 | | |
| 18 | T | 44.3 | Very low | 41.2 | Very low | 121 Ų | 121 | 130.4 Ų | 130.4 | 74% | 0.742 | 76% | 0.758 | S | S | * | * | | | cis | 68.7 | 144.3 | 11.6 | 31.9 | 0 | 0 | 0 | 0 | 117 | | |
| 19 | G | 37.1 | Very low | 41.8 | Very low | 72 Ų | 72 | 131 Ų | 131 | 74% | 0.742 | 76% | 0.759 | S | S | * | * | | | cis | -140.1 | -162.8 | -17.9 | 0 | 0 | 0 | 0 | 0 | 109.8 | | |
| 20 | N | 37.2 | Very low | 42.1 | Very low | 158 Ų | 158 | 133 Ų | 133 | 85% | 0.845 | 77% | 0.768 | S | S | * | * | | | cis | -159.2 | -174.5 | -3.3 | -160.4 | -4.5 | 0 | 0 | 0 | 109.8 | | |
| 21 | Y | 41.2 | Very low | 42.4 | Very low | 198 Ų | 198 | 136.9 Ų | 136.9 | 78% | 0.776 | 78% | 0.775 | S | S | * | * | | | trans | -71 | 152.6 | -177.2 | -86.9 | -103.7 | 0 | 0 | 0 | 117.1 | | |
| 22 | I | 44.2 | Very low | 42.8 | Very low | 164 Ų | 164 | 133.5 Ų | 133.5 | 84% | 0.841 | 77% | 0.766 | S | S | * | * | | | | -175 | 145.5 | 121.4 | -96 | 159.5 | 0 | 0 | 0 | 111.3 | | |
| 23 | H | 43.8 | Very low | 42.8 | Very low | 168 Ų | 168 | 134.3 Ų | 134.3 | 78% | 0.778 | 77% | 0.769 | S | S | * | * | | | trans | -102.2 | 154.4 | 170.6 | -87 | -84 | 0 | 0 | 0 | 111.6 | | |
| 24 | P | 48.3 | Very low | 42.3 | Very low | 124 Ų | 124 | 134.4 Ų | 134.4 | 81% | 0.805 | 77% | 0.767 | S | S | * | * | | | | -135.6 | -176.8 | 124.4 | 38.1 | -27.9 | 0 | 0 | 0 | 114.2 | | |
| 25 | S | 38.7 | Very low | 42.6 | Very low | 118 Ų | 118 | 132 Ų | 132 | 83% | 0.825 | 77% | 0.772 | S | S | * | * | | | trans | -97.9 | 150.8 | -156.4 | -53.5 | 0 | 0 | 0 | 0 | 116.8 | | |
| 26 | A | 43.3 | Very low | 42.3 | Very low | 101 Ų | 101 | 137.8 Ų | 137.8 | 84% | 0.835 | 78% | 0.778 | S | S | * | * | | | trans | 32.8 | 109.5 | 140.4 | 0 | 0 | 0 | 0 | 0 | 120.5 | | |
| 27 | S | 38.7 | Very low | 42.2 | Very low | 122 Ų | 122 | 136.9 Ų | 136.9 | 85% | 0.853 | 78% | 0.783 | S | S | * | * | | | trans | -150.2 | 155.4 | 132.6 | 57.3 | 0 | 0 | 0 | 0 | 110.4 | | |
| 28 | S | 42.8 | Very low | 42.5 | Very low | 110 Ų | 110 | 136.6 Ų | 136.6 | 77% | 0.769 | 79% | 0.788 | S | S | * | * | | | trans | -116.4 | 119 | -176.3 | 179.8 | 0 | 0 | 0 | 0 | 111 | | |
| 29 | P | 49.7 | Very low | 42.4 | Very low | 116 Ų | 116 | 135.2 Ų | 135.2 | 75% | 0.753 | 79% | 0.788 | S | S | * | * | | | trans | -92.9 | 120.3 | 168.3 | 32.9 | -28.3 | 0 | 0 | 0 | 111 | Y31 | P29-Y31 PolarHBondContact O-N 3.06Š|
| 30 | V | 42.5 | Very low | 42.9 | Very low | 129 Ų | 129 | 140.8 Ų | 140.8 | 78% | 0.782 | 80% | 0.797 | S | S | * | * | | | trans | -69.2 | 115.9 | 173.9 | 175.8 | 0 | 0 | 0 | 0 | 109.8 | V32 | V30-V32 PolarHBondContact O-N 3.38Š|
| 31 | Y | 40.6 | Very low | 43.5 | Very low | 208 Ų | 208 | 140.4 Ų | 140.4 | 82% | 0.816 | 80% | 0.795 | S | S | * | * | | | trans | -85.7 | 104.8 | 178.7 | -164 | -88.6 | 0 | 0 | 0 | 111.6 | P29 | P29-Y31 PolarHBondContact O-N 3.06Š|
| 32 | V | 43.2 | Very low | 43.8 | Very low | 105 Ų | 105 | 136.8 Ų | 136.8 | 64% | 0.636 | 80% | 0.796 | S | S | * | * | | | trans | -82.5 | 127.2 | 173.1 | -178.3 | 0 | 0 | 0 | 0 | 109.5 | V30 T34 | V30-V32 PolarHBondContact O-N 3.38Å; V32-T34 PolarHBondContact O-N 2.96Å |
| 33 | P | 38.8 | Very low | 43.8 | Very low | 111 Ų | 111 | 135.5 Ų | 135.5 | 72% | 0.721 | 80% | 0.795 | S | S | * | * | | | trans | -75.6 | 91 | 179.8 | -14.8 | 30.5 | 0 | 0 | 0 | 112.4 | | |
| 34 | T | 43.3 | Very low | 43.7 | Very low | 118 Ų | 118 | 135.1 Ų | 135.1 | 72% | 0.724 | 80% | 0.798 | S | S | * | * | | | trans | -62.6 | 146.5 | 170 | -58 | 0 | 0 | 0 | 0 | 111.1 | V32 R36 | V32-T34 PolarHBondContact O-N 2.96Å; T34-R36 PolarHBondContact O-N 2.9Å |
| 35 | T | 44.4 | Very low | 43.6 | Very low | 132 Ų | 132 | 135.5 Ų | 135.5 | 81% | 0.81 | 80% | 0.801 | S | S | * | * | | | trans | -62.7 | 126.7 | -177.9 | 44.7 | 0 | 0 | 0 | 0 | 112 | | |
| 36 | R | 45.4 | Very low | 44 | Very low | 242 Ų | 242 | 140 Ų | 140 | 91% | 0.913 | 80% | 0.801 | S | S | * | * | | | trans | -98.4 | 114.2 | 178.1 | 38.3 | 179.5 | 163.7 | 168.3 | -4.1 | 111.1 | T34 | T34-R36 PolarHBondContact O-N 2.9Š|
| 37 | V | 41.5 | Very low | 44.1 | Very low | 132 Ų | 132 | 142.1 Ų | 142.1 | 80% | 0.8 | 80% | 0.798 | S | S | * | * | P | Polyproline II helix | trans | -63.2 | 138 | 173 | -166 | 0 | 0 | 0 | 0 | 109.1 | A39 | V37-A39 PolarHBondContact O-N 2.86Š|
| 38 | P | 43.7 | Very low | 44.6 | Very low | 119 Ų | 119 | 145 Ų | 145 | 77% | 0.773 | 80% | 0.797 | S | S | * | * | P | Polyproline II helix | trans | -71.1 | 123.9 | 179 | 28.1 | -34.3 | 0 | 0 | 0 | 111.3 | | |
| 39 | A | 41 | Very low | 44.8 | Very low | 92 Ų | 92 | 144.8 Ų | 144.8 | 76% | 0.76 | 79% | 0.792 | S | S | * | * | P | Polyproline II helix | trans | -75.5 | 140.8 | 169.7 | 0 | 0 | 0 | 0 | 0 | 110.7 | V37 L41 | V37-A39 PolarHBondContact O-N 2.86Å; A39-L41 PolarHBondContact O-N 2.84Å |
| 40 | M | 47.7 | Very low | 44.9 | Very low | 189 Ų | 189 | 142 Ų | 142 | 93% | 0.931 | 78% | 0.775 | S | S | * | * | P | Polyproline II helix | trans | -68.3 | 125 | 173.1 | -67.9 | -70.1 | -171.7 | 0 | 0 | 110.1 | | |
| 41 | L | 51 | Low | 44.8 | Very low | 151 Ų | 151 | 143.7 Ų | 143.7 | 79% | 0.791 | 77% | 0.774 | S | S | * | * | | | trans | -107.1 | 135.3 | 166.6 | -71.8 | 173.7 | 0 | 0 | 0 | 109.2 | A39 | A39-L41 PolarHBondContact O-N 2.84Š|
| 42 | P | 46.3 | Very low | 44.7 | Very low | 122 Ų | 122 | 137.8 Ų | 137.8 | 79% | 0.792 | 76% | 0.763 | S | S | * | * | P | Polyproline II helix | trans | -67.9 | 133.6 | 173.6 | 28.8 | -33.5 | 0 | 0 | 0 | 110.4 | | |
| 43 | T | 44.8 | Very low | 44.4 | Very low | 136 Ų | 136 | 139.2 Ų | 139.2 | 83% | 0.834 | 77% | 0.772 | S | S | * | * | P | Polyproline II helix | trans | -81.3 | 135.8 | -176.4 | 34.6 | 0 | 0 | 0 | 0 | 112.6 | | |
| 44 | L | 42.6 | Very low | 44.5 | Very low | 160 Ų | 160 | 141.2 Ų | 141.2 | 84% | 0.838 | 77% | 0.772 | S | S | * | * | P | Polyproline II helix | trans | -77 | 130.3 | 172.5 | -66.9 | 172.1 | 0 | 0 | 0 | 110.7 | Y46 | L44-Y46 PolarHBondContact O-N 2.97Š|
| 45 | P | 45.7 | Very low | 44.1 | Very low | 132 Ų | 132 | 144.3 Ų | 144.3 | 86% | 0.857 | 78% | 0.778 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -81.9 | 79.8 | -176.2 | 33.3 | -35.9 | 0 | 0 | 0 | 112.1 | | |
| 46 | Y | 47 | Very low | 43.6 | Very low | 213 Ų | 213 | 143.2 Ų | 143.2 | 84% | 0.835 | 78% | 0.775 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -136.2 | -15.1 | 166.8 | -168.3 | -107.8 | 0 | 0 | 0 | 115 | L44 | L44-Y46 PolarHBondContact O-N 2.97Š|
| 47 | L | 44.5 | Very low | 43.1 | Very low | 145 Ų | 145 | 140.5 Ų | 140.5 | 76% | 0.759 | 77% | 0.773 | S | S | * | * | | | trans | -99.5 | 90.6 | 169.2 | -65.6 | -179.1 | 0 | 0 | 0 | 109.3 | T49 | L47-T49 PolarHBondContact O-N 2.99Š|
| 48 | Q | 49.7 | Very low | 42.7 | Very low | 182 Ų | 182 | 137.6 Ų | 137.6 | 85% | 0.85 | 77% | 0.769 | S | S | * | * | | | trans | -72.8 | 81 | 171.2 | -167 | 164.5 | 2.3 | 0 | 0 | 109.3 | C50 | Q48-C50 PolarHBondContact O-N 2.92Š|
| 49 | T | 46.3 | Very low | 42.5 | Very low | 106 Ų | 106 | 140.5 Ų | 140.5 | 65% | 0.65 | 78% | 0.778 | S | S | * | * | | | trans | -53.5 | 131.3 | 175.9 | 39.3 | 0 | 0 | 0 | 0 | 110.2 | L47 E51 | L47-T49 PolarHBondContact O-N 2.99Å; T49-E51 PolarHBondContact O-N 3.21Å |
| 50 | C | 52.6 | Low | 42.2 | Very low | 58 Ų | 58 | 141.4 Ų | 141.4 | 39% | 0.392 | 79% | 0.785 | S | S | . | * | | | trans | -73.9 | 78.9 | 179.4 | 56.2 | 0 | 0 | 0 | 0 | 110.7 | Q48 S52 C229 | Q48-C50 PolarHBondContact O-N 2.92Å; C50-S52 PolarHBondContact O-N 2.66Å; C50-C229 HydrophobicContact CB-CB 4.23Å |
| 51 | E | 39.6 | Very low | 41.5 | Very low | 164 Ų | 164 | 135.5 Ų | 135.5 | 77% | 0.766 | 77% | 0.772 | S | S | * | * | | | trans | -75.3 | 110.7 | 176.9 | -164 | 162.9 | 141 | 0 | 0 | 110.1 | T49 T53 | T49-E51 PolarHBondContact O-N 3.21Å; E51-T53 PolarHBondContact O-N 3.35Å |
| 52 | S | 39.8 | Very low | 41 | Very low | 85 Ų | 85 | 136.3 Ų | 136.3 | 59% | 0.594 | 77% | 0.772 | S | S | * | * | | | trans | -79.1 | 100 | 179.1 | -65.6 | 0 | 0 | 0 | 0 | 110 | C50 H54 | C50-S52 PolarHBondContact O-N 2.66Å; S52-H54 VanDerWaalsContact C-N 3.3Å; S52-H54 PolarHBondContact O-N 2.88Å |
| 53 | T | 37.3 | Very low | 40.5 | Very low | 135 Ų | 135 | 139.1 Ų | 139.1 | 83% | 0.828 | 77% | 0.774 | S | S | * | * | | | trans | -64.6 | 84 | 175.7 | 53.7 | 0 | 0 | 0 | 0 | 112 | E51 | E51-T53 PolarHBondContact O-N 3.35Š|
| 54 | H | 41.1 | Very low | 40.1 | Very low | 152 Ų | 152 | 136.1 Ų | 136.1 | 70% | 0.704 | 77% | 0.77 | S | S | * | * | | | trans | -96.2 | 104 | 165 | -83.3 | -83.8 | 0 | 0 | 0 | 109.3 | S52 S56 | S52-H54 VanDerWaalsContact C-N 3.3Å; S52-H54 PolarHBondContact O-N 2.88Å; H54-S56 PolarHBondContact O-N 3.08Å |
| 55 | Q | 35.1 | Very low | 39.5 | Very low | 184 Ų | 184 | 140.5 Ų | 140.5 | 86% | 0.86 | 78% | 0.776 | S | S | * | * | | | trans | -68.6 | 120.5 | 163.5 | -73.3 | 177.4 | -18.6 | 0 | 0 | 108.8 | | |
| 56 | S | 33.7 | Very low | 39.2 | Very low | 108 Ų | 108 | 138.2 Ų | 138.2 | 76% | 0.755 | 77% | 0.768 | S | S | * | * | | | trans | -132.9 | 110.7 | 166.7 | 57.7 | 0 | 0 | 0 | 0 | 108.5 | H54 G58 | H54-S56 PolarHBondContact O-N 3.08Å; S56-G58 PolarHBondContact O-N 2.87Å |
| 57 | H | 34.8 | Very low | 38.7 | Very low | 186 Ų | 186 | 136.1 Ų | 136.1 | 86% | 0.861 | 77% | 0.766 | S | S | * | * | | | trans | -65.5 | 122.2 | 176.5 | -73.4 | -98.2 | 0 | 0 | 0 | 110 | | |
| 58 | G | 31.8 | Very low | 38.3 | Very low | 70 Ų | 70 | 134.7 Ų | 134.7 | 72% | 0.722 | 77% | 0.768 | S | S | * | * | | | trans | -90.6 | 140.2 | 171.4 | 0 | 0 | 0 | 0 | 0 | 111.2 | S56 | S56-G58 PolarHBondContact O-N 2.87Š|
| 59 | L | 40.8 | Very low | 37.5 | Very low | 181 Ų | 181 | 130.5 Ų | 130.5 | 95% | 0.948 | 77% | 0.765 | S | S | * | * | | | trans | -130 | 144.1 | 160.8 | -69.8 | 176.2 | 0 | 0 | 0 | 107.9 | | |
| 60 | A | 34.7 | Very low | 37 | Very low | 110 Ų | 110 | 129.4 Ų | 129.4 | 91% | 0.909 | 77% | 0.766 | S | S | * | * | | | trans | -107.9 | 160.2 | -172.8 | 0 | 0 | 0 | 0 | 0 | 112.2 | | |
| 61 | G | 32.6 | Very low | 36.2 | Very low | 65 Ų | 65 | 134.7 Ų | 134.7 | 67% | 0.67 | 79% | 0.791 | S | S | * | * | | | trans | 176.9 | 159.2 | 175.3 | 0 | 0 | 0 | 0 | 0 | 115.8 | | |
| 62 | H | 40 | Very low | 35.9 | Very low | 169 Ų | 169 | 130.7 Ų | 130.7 | 78% | 0.782 | 79% | 0.793 | S | S | * | * | | | trans | -139.9 | 174.6 | 179.4 | -57.4 | -68.5 | 0 | 0 | 0 | 108.4 | | |
| 63 | H | 35.6 | Very low | 35.8 | Very low | 180 Ų | 180 | 131.9 Ų | 131.9 | 83% | 0.833 | 80% | 0.801 | S | S | * | * | | | cis | -139.1 | 173.7 | 16.1 | -59.9 | -104 | 0 | 0 | 0 | 109.5 | | |
| 64 | G | 36.4 | Very low | 35.7 | Very low | 74 Ų | 74 | 130.2 Ų | 130.2 | 76% | 0.763 | 80% | 0.795 | S | S | * | * | | | cis | 111.2 | 60.1 | 2.1 | 0 | 0 | 0 | 0 | 0 | 114.2 | | |
| 65 | W | 30 | Very low | 35.5 | Very low | 252 Ų | 252 | 133.1 Ų | 133.1 | 96% | 0.955 | 81% | 0.806 | S | S | * | * | | | trans | -140.8 | 148.5 | -177.5 | -130 | -25.8 | 0 | 0 | 0 | 112.4 | | |
| 66 | A | 39.4 | Very low | 35.6 | Very low | 84 Ų | 84 | 128.5 Ų | 128.5 | 69% | 0.694 | 80% | 0.799 | S | S | * | * | | | trans | -159.1 | 145.6 | 173.1 | 0 | 0 | 0 | 0 | 0 | 112.3 | | |
| 67 | Q | 37.9 | Very low | 36.6 | Very low | 169 Ų | 169 | 128.9 Ų | 128.9 | 79% | 0.79 | 80% | 0.799 | S | S | * | * | | | trans | -177 | 140.4 | 160 | -99.8 | 147.5 | 100.6 | 0 | 0 | 106.8 | | |
| 68 | S | 34.7 | Very low | 36.4 | Very low | 115 Ų | 115 | 126 Ų | 126 | 80% | 0.804 | 80% | 0.8 | S | S | * | * | | | | 74.8 | 139.2 | 58.2 | -54.5 | 0 | 0 | 0 | 0 | 113 | | |
| 69 | A | 33.6 | Very low | 36.9 | Very low | 94 Ų | 94 | 128.1 Ų | 128.1 | 78% | 0.777 | 80% | 0.804 | S | S | * | * | | | cis | -167.7 | -164.6 | -12.7 | 0 | 0 | 0 | 0 | 0 | 108.8 | | |
| 70 | A | 35 | Very low | 37.5 | Very low | 83 Ų | 83 | 124.1 Ų | 124.1 | 69% | 0.686 | 79% | 0.789 | S | S | * | * | | | trans | 72.5 | 153.7 | 166.3 | 0 | 0 | 0 | 0 | 0 | 117.9 | | |
| 71 | D | 36.1 | Very low | 37.7 | Very low | 169 Ų | 169 | 127.1 Ų | 127.1 | 90% | 0.904 | 78% | 0.783 | S | S | * | * | | | cis | -164.8 | 168.5 | -27.3 | -101.2 | -35.8 | 0 | 0 | 0 | 109.5 | | |
| 72 | G | 32.8 | Very low | 38.7 | Very low | 79 Ų | 79 | 128.8 Ų | 128.8 | 81% | 0.814 | 78% | 0.783 | S | S | * | * | | | trans | 126.8 | 137 | 162.7 | 0 | 0 | 0 | 0 | 0 | 115.6 | | |
| 73 | S | 38.6 | Very low | 39.1 | Very low | 110 Ų | 110 | 126.8 Ų | 126.8 | 77% | 0.769 | 78% | 0.784 | S | S | * | * | | | trans | -141.5 | 154.5 | -172.9 | 67.2 | 0 | 0 | 0 | 0 | 114.6 | | |
| 74 | S | 35.8 | Very low | 39.5 | Very low | 100 Ų | 100 | 126.9 Ų | 126.9 | 70% | 0.699 | 79% | 0.785 | S | S | * | * | | | trans | 67.4 | 119.9 | 155.1 | -53.8 | 0 | 0 | 0 | 0 | 119.5 | | |
| 75 | F | 35.1 | Very low | 39.8 | Very low | 214 Ų | 214 | 125.5 Ų | 125.5 | 94% | 0.939 | 77% | 0.771 | S | S | * | * | | | | -170.2 | 164.4 | 103.6 | -105 | -75.5 | 0 | 0 | 0 | 111 | | |
| 76 | A | 39.1 | Very low | 40.3 | Very low | 86 Ų | 86 | 122.8 Ų | 122.8 | 71% | 0.711 | 77% | 0.766 | S | S | * | * | | | trans | -149.4 | -175.4 | -175.3 | 0 | 0 | 0 | 0 | 0 | 108.4 | | |
| 77 | P | 53.4 | Low | 40.2 | Very low | 116 Ų | 116 | 122.7 Ų | 122.7 | 75% | 0.753 | 76% | 0.76 | S | S | * | * | | | cis | -136.1 | 175 | -0.6 | 43.1 | -26.8 | 0 | 0 | 0 | 115.9 | | |
| 78 | S | 31.8 | Very low | 40.2 | Very low | 126 Ų | 126 | 125 Ų | 125 | 88% | 0.881 | 76% | 0.763 | S | S | * | * | | | trans | -149.3 | 145.5 | 156.7 | -85.7 | 0 | 0 | 0 | 0 | 110.5 | | |
| 79 | S | 40.9 | Very low | 40.1 | Very low | 114 Ų | 114 | 124.1 Ų | 124.1 | 80% | 0.797 | 76% | 0.757 | S | S | * | * | | | trans | -125.9 | 172.8 | -178.9 | -80.1 | 0 | 0 | 0 | 0 | 109.3 | | |
| 80 | P | 54.2 | Low | 40.2 | Very low | 97 Ų | 97 | 128.2 Ų | 128.2 | 63% | 0.63 | 76% | 0.76 | S | S | * | * | | | cis | -146.9 | -176.4 | 23.1 | 42 | -21 | 0 | 0 | 0 | 118.8 | | |
| 81 | H | 38.2 | Very low | 40.5 | Very low | 173 Ų | 173 | 129.8 Ų | 129.8 | 80% | 0.801 | 77% | 0.766 | S | S | * | * | | | trans | 81.6 | 155.8 | 155.6 | -62.2 | -35.4 | 0 | 0 | 0 | 118.1 | | |
| 82 | P | 55 | Low | 41.1 | Very low | 101 Ų | 101 | 127.4 Ų | 127.4 | 66% | 0.656 | 76% | 0.76 | S | S | * | * | | | | -135 | 173.5 | -102.2 | 28.5 | -3.2 | 0 | 0 | 0 | 116.8 | | |
| 83 | P | 48.3 | Very low | 42.1 | Very low | 126 Ų | 126 | 129.6 Ų | 129.6 | 82% | 0.818 | 76% | 0.759 | S | S | * | * | | | trans | -91.4 | 164.9 | 172.9 | 37.2 | -35.5 | 0 | 0 | 0 | 113.7 | | |
| 84 | H | 44 | Very low | 42.3 | Very low | 182 Ų | 182 | 131.1 Ų | 131.1 | 84% | 0.843 | 76% | 0.764 | S | S | * | * | | | trans | -111.9 | 132.7 | 175.8 | -79.9 | -95.5 | 0 | 0 | 0 | 113.4 | | |
| 85 | G | 41.1 | Very low | 42.2 | Very low | 46 Ų | 46 | 131.3 Ų | 131.3 | 47% | 0.474 | 77% | 0.765 | S | S | . | * | | | trans | -80.8 | -168 | 153.6 | 0 | 0 | 0 | 0 | 0 | 111.1 | | |
| 86 | F | 40.8 | Very low | 42.1 | Very low | 195 Ų | 195 | 126.8 Ų | 126.8 | 86% | 0.855 | 76% | 0.755 | S | S | * | * | | | cis | -151.6 | 160.7 | 13.5 | -58.5 | -87.2 | 0 | 0 | 0 | 108.5 | | |
| 87 | S | 37.5 | Very low | 41.9 | Very low | 81 Ų | 81 | 130 Ų | 130 | 57% | 0.566 | 76% | 0.76 | S | S | * | * | | | cis | 112.8 | 105.6 | 7.7 | -62.7 | 0 | 0 | 0 | 0 | 115.6 | | |
| 88 | Y | 37.2 | Very low | 41.6 | Very low | 217 Ų | 217 | 130.2 Ų | 130.2 | 85% | 0.851 | 76% | 0.762 | S | S | * | * | | | trans | 84.4 | 143.6 | 159.1 | -39.5 | -58.9 | 0 | 0 | 0 | 122.2 | | |
| 89 | S | 33.1 | Very low | 41.6 | Very low | 97 Ų | 97 | 127.3 Ų | 127.3 | 68% | 0.678 | 75% | 0.752 | S | S | * | * | | | trans | 100.8 | 104.7 | 136.8 | -68.3 | 0 | 0 | 0 | 0 | 123.1 | | |
| 90 | H | 37 | Very low | 41.4 | Very low | 181 Ų | 181 | 132.6 Ų | 132.6 | 84% | 0.838 | 76% | 0.755 | S | S | * | * | | | trans | 64.7 | 150.6 | 132.2 | -62.1 | -68 | 0 | 0 | 0 | 123.2 | | |
| 91 | S | 41.5 | Very low | 40.4 | Very low | 115 Ų | 115 | 134.3 Ų | 134.3 | 80% | 0.804 | 76% | 0.758 | S | S | * | * | | | trans | -87.1 | 156.5 | -178.1 | -41.7 | 0 | 0 | 0 | 0 | 113.7 | | |
| 92 | P | 47.8 | Very low | 40.2 | Very low | 119 Ų | 119 | 129.7 Ų | 129.7 | 77% | 0.773 | 76% | 0.758 | S | S | * | * | | | trans | -132.2 | -158.1 | 147 | 46.8 | -34 | 0 | 0 | 0 | 110.5 | | |
| 93 | P | 52.6 | Low | 39 | Very low | 125 Ų | 125 | 128.3 Ų | 128.3 | 81% | 0.812 | 76% | 0.762 | S | S | * | * | | | | -133.4 | -168.2 | -117.5 | 34 | -8.5 | 0 | 0 | 0 | 115.6 | | |
| 94 | V | 43.8 | Very low | 38.3 | Very low | 143 Ų | 143 | 132.7 Ų | 132.7 | 87% | 0.867 | 76% | 0.763 | S | S | * | * | | | trans | -78 | 132.7 | 173.7 | 169 | 0 | 0 | 0 | 0 | 112.2 | | |
| 95 | S | 33.1 | Very low | 37.9 | Very low | 103 Ų | 103 | 132.4 Ų | 132.4 | 72% | 0.72 | 76% | 0.762 | S | S | * | * | | | trans | -165.2 | 131.6 | 140 | -153.6 | 0 | 0 | 0 | 0 | 114.8 | | |
| 96 | T | 33 | Very low | 37.4 | Very low | 120 Ų | 120 | 135.2 Ų | 135.2 | 74% | 0.736 | 78% | 0.775 | S | S | * | * | | | trans | 34.3 | 123.9 | 134.6 | -35.3 | 0 | 0 | 0 | 0 | 122.6 | | |
| 97 | N | 35.1 | Very low | 37.1 | Very low | 152 Ų | 152 | 132.9 Ų | 132.9 | 81% | 0.813 | 77% | 0.767 | S | S | * | * | | | trans | 4.2 | 152.5 | 143.6 | -80.5 | -3 | 0 | 0 | 0 | 120.9 | | |
| 98 | P | 48.3 | Very low | 37.2 | Very low | 121 Ų | 121 | 138.8 Ų | 138.8 | 79% | 0.786 | 78% | 0.778 | S | S | * | * | | | cis | -149.5 | 158.3 | 36.9 | 40.9 | -20.9 | 0 | 0 | 0 | 120.3 | | |
| 99 | G | 30.9 | Very low | 37 | Very low | 66 Ų | 66 | 132.2 Ų | 132.2 | 68% | 0.68 | 78% | 0.776 | S | S | * | * | | | | 81.8 | 139.7 | 120.2 | 0 | 0 | 0 | 0 | 0 | 123.1 | | |
| 100 | R | 36.7 | Very low | 37 | Very low | 225 Ų | 225 | 131 Ų | 131 | 85% | 0.849 | 78% | 0.778 | S | S | * | * | | | trans | 73.3 | 146.2 | 154.5 | -54.1 | -173.5 | 90.2 | 146 | 7.5 | 117.2 | | |
| 101 | D | 33 | Very low | 36.9 | Very low | 132 Ų | 132 | 127 Ų | 127 | 71% | 0.706 | 78% | 0.777 | S | S | * | * | | | cis | -153.1 | 160.9 | -10.5 | -112.8 | -21.2 | 0 | 0 | 0 | 110.4 | | |
| 102 | G | 34.9 | Very low | 36.8 | Very low | 77 Ų | 77 | 129.3 Ų | 129.3 | 79% | 0.794 | 78% | 0.779 | S | S | * | * | | | trans | 123.8 | 116.9 | 166.1 | 0 | 0 | 0 | 0 | 0 | 116 | | |
| 103 | G | 30.4 | Very low | 36.4 | Very low | 71 Ų | 71 | 129.8 Ų | 129.8 | 73% | 0.732 | 78% | 0.78 | S | S | * | * | | | cis | 155.5 | 60.8 | -8.9 | 0 | 0 | 0 | 0 | 0 | 116.1 | | |
| 104 | Y | 33.6 | Very low | 35.4 | Very low | 218 Ų | 218 | 134.8 Ų | 134.8 | 86% | 0.855 | 78% | 0.783 | S | S | * | * | | | trans | -159 | 140.6 | 164.9 | 39.3 | -95.9 | 0 | 0 | 0 | 109.8 | | |
| 105 | Q | 33.8 | Very low | 35.1 | Very low | 176 Ų | 176 | 133.4 Ų | 133.4 | 82% | 0.822 | 78% | 0.779 | S | S | * | * | | | cis | 176.5 | 113.5 | -19.7 | 162.8 | 176.1 | -21.3 | 0 | 0 | 104.2 | | |
| 106 | S | 31.9 | Very low | 35.2 | Very low | 105 Ų | 105 | 135.2 Ų | 135.2 | 73% | 0.734 | 79% | 0.785 | S | S | * | * | | | trans | 57.6 | 148.5 | 166.2 | -70.6 | 0 | 0 | 0 | 0 | 118.5 | | |
| 107 | Q | 34.4 | Very low | 35.1 | Very low | 147 Ų | 147 | 133.3 Ų | 133.3 | 69% | 0.687 | 79% | 0.79 | S | S | * | * | | | cis | -154.4 | 168.8 | 6 | -127.3 | 168.6 | -10.9 | 0 | 0 | 106.8 | | |
| 108 | Y | 38.9 | Very low | 34.7 | Very low | 205 Ų | 205 | 129.9 Ų | 129.9 | 80% | 0.804 | 79% | 0.79 | S | S | * | * | | | cis | -134.8 | -162.1 | 13.5 | -54 | -96.8 | 0 | 0 | 0 | 110.7 | | |
| 109 | G | 32.4 | Very low | 34.1 | Very low | 78 Ų | 78 | 129.9 Ų | 129.9 | 80% | 0.804 | 79% | 0.793 | S | S | * | * | | | trans | -118.1 | -177.5 | 165.6 | 0 | 0 | 0 | 0 | 0 | 112 | | |
| 110 | G | 34.9 | Very low | 34.3 | Very low | 71 Ų | 71 | 137 Ų | 137 | 73% | 0.732 | 80% | 0.801 | S | S | * | * | | | cis | 156.8 | 159.2 | -5.1 | 0 | 0 | 0 | 0 | 0 | 113.6 | | |
| 111 | A | 34.8 | Very low | 34.2 | Very low | 97 Ų | 97 | 131.7 Ų | 131.7 | 80% | 0.802 | 80% | 0.798 | S | S | * | * | | | trans | 64.3 | 160.5 | 178.8 | 0 | 0 | 0 | 0 | 0 | 114.8 | | |
| 112 | L | 39.2 | Very low | 34.5 | Very low | 164 Ų | 164 | 130.3 Ų | 130.3 | 86% | 0.859 | 80% | 0.799 | S | S | * | * | | | cis | -138.9 | 171.6 | 10.8 | -68 | 160.7 | 0 | 0 | 0 | 107.5 | | |
| 113 | V | 38.3 | Very low | 35.2 | Very low | 130 Ų | 130 | 131.8 Ų | 131.8 | 79% | 0.788 | 80% | 0.795 | S | S | * | * | | | cis | -160.4 | 173.8 | -10 | 122.2 | 0 | 0 | 0 | 0 | 108.5 | | |
| 114 | R | 32.4 | Very low | 35.4 | Very low | 230 Ų | 230 | 139.3 Ų | 139.3 | 87% | 0.868 | 80% | 0.803 | S | S | * | * | | | trans | -92.2 | 152.6 | 172.8 | -74.5 | 175 | 163 | -178.9 | -5.4 | 113.8 | | |
| 115 | S | 36.3 | Very low | 35.6 | Very low | 113 Ų | 113 | 134.2 Ų | 134.2 | 79% | 0.79 | 81% | 0.805 | S | S | * | * | | | | 172.1 | 133.6 | 126.2 | -77.6 | 0 | 0 | 0 | 0 | 110 | | |
| 116 | V | 35.6 | Very low | 35.8 | Very low | 141 Ų | 141 | 135.3 Ų | 135.3 | 86% | 0.855 | 80% | 0.803 | S | S | * | * | | | | 76.7 | 116.8 | 62 | 176.9 | 0 | 0 | 0 | 0 | 114.2 | | |
| 117 | G | 30.8 | Very low | 36 | Very low | 81 Ų | 81 | 138.1 Ų | 138.1 | 84% | 0.835 | 81% | 0.807 | S | S | * | * | | | trans | 104.7 | 131.5 | 153.3 | 0 | 0 | 0 | 0 | 0 | 117.7 | | |
| 118 | G | 27.9 | Very low | 36.2 | Very low | 79 Ų | 79 | 136.1 Ų | 136.1 | 81% | 0.814 | 81% | 0.809 | S | S | * | * | | | trans | 158.8 | 121 | 170.7 | 0 | 0 | 0 | 0 | 0 | 112.2 | | |
| 119 | S | 35.5 | Very low | 36.8 | Very low | 121 Ų | 121 | 131.9 Ų | 131.9 | 85% | 0.846 | 81% | 0.807 | S | S | * | * | | | trans | -134.4 | 146.1 | -164.7 | -61.1 | 0 | 0 | 0 | 0 | 114.5 | | |
| 120 | Y | 34.8 | Very low | 36.9 | Very low | 217 Ų | 217 | 137.5 Ų | 137.5 | 85% | 0.851 | 81% | 0.812 | S | S | * | * | | | trans | 62.7 | 118.8 | 145 | -144.1 | -95.5 | 0 | 0 | 0 | 120.1 | | |
| 121 | S | 33.4 | Very low | 37.4 | Very low | 113 Ų | 113 | 142.9 Ų | 142.9 | 79% | 0.79 | 82% | 0.821 | S | S | * | * | | | | -172.5 | 144.9 | 117.3 | -81.4 | 0 | 0 | 0 | 0 | 112.7 | | |
| 122 | S | 41 | Very low | 37.8 | Very low | 103 Ų | 103 | 143 Ų | 143 | 72% | 0.72 | 82% | 0.821 | S | S | * | * | | | trans | -151 | 135.8 | 164.7 | 173.7 | 0 | 0 | 0 | 0 | 108.4 | | |
| 123 | P | 49.9 | Very low | 37.7 | Very low | 108 Ų | 108 | 141.4 Ų | 141.4 | 70% | 0.701 | 82% | 0.818 | S | S | * | * | | | trans | -139 | 138.9 | 143.2 | 33.5 | -18.6 | 0 | 0 | 0 | 114 | | |
| 124 | Y | 33.4 | Very low | 37.4 | Very low | 229 Ų | 229 | 140.6 Ų | 140.6 | 90% | 0.898 | 82% | 0.818 | S | S | * | * | | | trans | 28.9 | 112.8 | 149.9 | -66.2 | -86.8 | 0 | 0 | 0 | 120.2 | | |
| 125 | A | 37.1 | Very low | 37.5 | Very low | 110 Ų | 110 | 134.9 Ų | 134.9 | 91% | 0.909 | 81% | 0.814 | S | S | * | * | | | trans | -126.9 | 135 | 141.8 | 0 | 0 | 0 | 0 | 0 | 108.8 | | |
| 126 | Y | 38.3 | Very low | 37.7 | Very low | 199 Ų | 199 | 141.6 Ų | 141.6 | 78% | 0.78 | 82% | 0.822 | S | S | * | * | | | trans | -112.6 | 126.7 | -170.2 | 164.1 | -82.5 | 0 | 0 | 0 | 110.1 | | |
| 127 | M | 37.7 | Very low | 37.9 | Very low | 164 Ų | 164 | 141.3 Ų | 141.3 | 81% | 0.808 | 82% | 0.821 | S | S | * | * | | | trans | -164.2 | 154.5 | 146.7 | -138.2 | 63.4 | 76.3 | 0 | 0 | 110.4 | | |
| 128 | S | 37.5 | Very low | 38.5 | Very low | 106 Ų | 106 | 143.2 Ų | 143.2 | 74% | 0.741 | 82% | 0.819 | S | S | * | * | | | trans | -120.9 | 177.2 | -179.6 | -112.6 | 0 | 0 | 0 | 0 | 111.3 | | |
| 129 | P | 52.5 | Low | 38.9 | Very low | 116 Ų | 116 | 142.7 Ų | 142.7 | 75% | 0.753 | 81% | 0.813 | S | S | * | * | | | trans | -102.8 | 140.1 | -152.6 | 37.2 | -33.7 | 0 | 0 | 0 | 115 | | |
| 130 | E | 34.1 | Very low | 39.5 | Very low | 195 Ų | 195 | 143.3 Ų | 143.3 | 91% | 0.911 | 81% | 0.814 | S | S | * | * | | | trans | -152.3 | 168 | 164.5 | -127.2 | 175.8 | 139.7 | 0 | 0 | 114.1 | | |
| 131 | M | 45.1 | Very low | 39.5 | Very low | 185 Ų | 185 | 142.7 Ų | 142.7 | 91% | 0.911 | 82% | 0.816 | S | S | * | * | | | trans | 51.6 | 84.5 | -175.3 | 71.5 | 168.7 | -166.9 | 0 | 0 | 118.3 | | |
| 132 | A | 42.6 | Very low | 39.9 | Very low | 98 Ų | 98 | 145.9 Ų | 145.9 | 81% | 0.81 | 82% | 0.819 | S | S | * | * | | | trans | -102.6 | 101.2 | 147.5 | 0 | 0 | 0 | 0 | 0 | 109.7 | | |
| 133 | T | 36.8 | Very low | 39.5 | Very low | 131 Ų | 131 | 146.9 Ų | 146.9 | 80% | 0.804 | 83% | 0.826 | S | S | * | * | | | trans | -175.9 | 98.2 | 156.3 | 30.9 | 0 | 0 | 0 | 0 | 113.8 | | |
| 134 | S | 33.5 | Very low | 38.8 | Very low | 113 Ų | 113 | 145.1 Ų | 145.1 | 79% | 0.79 | 83% | 0.827 | S | S | * | * | | | trans | -175.4 | 93 | 147.8 | 45.9 | 0 | 0 | 0 | 0 | 108.5 | | |
| 135 | S | 34.4 | Very low | 39.4 | Very low | 110 Ų | 110 | 141 Ų | 141 | 77% | 0.769 | 83% | 0.825 | S | S | * | * | | | | 65.4 | 116.7 | 71.4 | -57.3 | 0 | 0 | 0 | 0 | 112.8 | | |
| 136 | W | 40 | Very low | 39.7 | Very low | 254 Ų | 254 | 143.7 Ų | 143.7 | 96% | 0.962 | 82% | 0.823 | S | S | * | * | P | Polyproline II helix | trans | -74.5 | 151.4 | -177 | -70.3 | 59.8 | 0 | 0 | 0 | 111.8 | P138 | W136-P138 WeakPolarHBondContact O-CD 3.47Š|
| 137 | T | 39 | Very low | 39.7 | Very low | 136 Ų | 136 | 139.1 Ų | 139.1 | 83% | 0.834 | 82% | 0.82 | S | S | * | * | P | Polyproline II helix | trans | -82.3 | 133.9 | 174 | 41.6 | 0 | 0 | 0 | 0 | 112.7 | | |
| 138 | P | 43.5 | Very low | 39.8 | Very low | 121 Ų | 121 | 138.9 Ų | 138.9 | 79% | 0.786 | 82% | 0.821 | S | S | * | * | P | Polyproline II helix | trans | -101 | 160.3 | 146.7 | -6 | 26.6 | 0 | 0 | 0 | 110.8 | W136 | W136-P138 WeakPolarHBondContact O-CD 3.47Š|
| 139 | G | 36.8 | Very low | 40 | Very low | 67 Ų | 67 | 142 Ų | 142 | 69% | 0.691 | 82% | 0.824 | S | S | * | * | P | Polyproline II helix | trans | -76.4 | 169.4 | 178.5 | 0 | 0 | 0 | 0 | 0 | 114.5 | | |
| 140 | P | 49.3 | Very low | 39.1 | Very low | 135 Ų | 135 | 140.4 Ų | 140.4 | 88% | 0.877 | 83% | 0.829 | S | S | * | * | P | Polyproline II helix | trans | -87.5 | 143.3 | -170.4 | 34.1 | -35.3 | 0 | 0 | 0 | 114.3 | | |
| 141 | F | 34.6 | Very low | 39.4 | Very low | 204 Ų | 204 | 141.1 Ų | 141.1 | 90% | 0.895 | 82% | 0.823 | S | S | * | * | | | trans | -143.9 | 154.2 | 140.9 | 64 | -93.5 | 0 | 0 | 0 | 108.9 | | |
| 142 | E | 40.3 | Very low | 39.2 | Very low | 180 Ų | 180 | 139.9 Ų | 139.9 | 84% | 0.841 | 82% | 0.815 | S | S | * | * | | | trans | -73.9 | 145.5 | -175.1 | -63.4 | -178.8 | 90.8 | 0 | 0 | 112.9 | | |
| 143 | S | 33.4 | Very low | 38.8 | Very low | 124 Ų | 124 | 139.1 Ų | 139.1 | 87% | 0.867 | 82% | 0.817 | S | S | * | * | | | | 157.2 | 162.8 | 97.6 | -164.3 | 0 | 0 | 0 | 0 | 111.9 | | |
| 144 | G | 34.5 | Very low | 39.2 | Very low | 71 Ų | 71 | 137.4 Ų | 137.4 | 73% | 0.732 | 82% | 0.816 | S | S | * | * | | | trans | 99.7 | 93.1 | 166.2 | 0 | 0 | 0 | 0 | 0 | 116.1 | | |
| 145 | V | 47.1 | Very low | 39.7 | Very low | 142 Ų | 142 | 140.8 Ų | 140.8 | 86% | 0.861 | 82% | 0.824 | S | S | * | * | | | trans | -71.4 | 143.1 | 158.9 | -65.9 | 0 | 0 | 0 | 0 | 110.6 | | |
| 146 | I | 42.6 | Very low | 40 | Very low | 167 Ų | 167 | 139.5 Ų | 139.5 | 86% | 0.856 | 83% | 0.828 | S | S | * | * | | | | -158.7 | 144.6 | 119.5 | -57.7 | -161.2 | 0 | 0 | 0 | 107.1 | | |
| 147 | S | 39.6 | Very low | 39.8 | Very low | 102 Ų | 102 | 131 Ų | 131 | 71% | 0.713 | 82% | 0.819 | S | S | * | * | | | trans | -132.1 | 140.9 | 167.2 | 176.6 | 0 | 0 | 0 | 0 | 109.9 | | |
| 148 | L | 38.2 | Very low | 40.2 | Very low | 160 Ų | 160 | 136 Ų | 136 | 84% | 0.838 | 82% | 0.823 | S | S | * | * | | | trans | -170.8 | 152.2 | 154.2 | -109.5 | 161.3 | 0 | 0 | 0 | 113.5 | | |
| 149 | Q | 43.3 | Very low | 40.1 | Very low | 171 Ų | 171 | 141.5 Ų | 141.5 | 80% | 0.799 | 83% | 0.828 | S | S | * | * | | | trans | -73.8 | 154.6 | -175.1 | -81.3 | 77.8 | -8 | 0 | 0 | 115.1 | | |
| 150 | G | 32.6 | Very low | 40.9 | Very low | 83 Ų | 83 | 145 Ų | 145 | 86% | 0.856 | 84% | 0.841 | S | S | * | * | | | trans | -143.6 | 138.2 | 157.9 | 0 | 0 | 0 | 0 | 0 | 110 | | |
| 151 | R | 40.9 | Very low | 40.8 | Very low | 209 Ų | 209 | 143.6 Ų | 143.6 | 79% | 0.789 | 84% | 0.835 | S | S | * | * | | | trans | -130.4 | 137.4 | -164.3 | -158.7 | -163.2 | -169.1 | -145.1 | 16.9 | 112.6 | | |
| 152 | Q | 39.9 | Very low | 41.2 | Very low | 160 Ų | 160 | 141 Ų | 141 | 75% | 0.748 | 83% | 0.83 | S | S | * | * | | | trans | 63.2 | 148 | 157.5 | -82.3 | 165.6 | -29.3 | 0 | 0 | 119.7 | | |
| 153 | G | 34.2 | Very low | 41.7 | Very low | 82 Ų | 82 | 141.5 Ų | 141.5 | 85% | 0.845 | 83% | 0.832 | S | S | * | * | | | trans | 155.2 | 93.8 | 170.3 | 0 | 0 | 0 | 0 | 0 | 112.3 | | |
| 154 | A | 45.3 | Very low | 42.6 | Very low | 95 Ų | 95 | 143.8 Ų | 143.8 | 79% | 0.785 | 83% | 0.833 | S | S | * | * | | | trans | -114.5 | 135.2 | 178 | 0 | 0 | 0 | 0 | 0 | 111.2 | | |
| 155 | L | 43.7 | Very low | 43.5 | Very low | 184 Ų | 184 | 148.5 Ų | 148.5 | 96% | 0.963 | 84% | 0.838 | S | S | * | * | | | trans | -151.9 | 139.7 | 149.8 | -77.8 | -171.1 | 0 | 0 | 0 | 108.9 | | |
| 156 | G | 41.3 | Very low | 43.2 | Very low | 83 Ų | 83 | 148.9 Ų | 148.9 | 86% | 0.856 | 84% | 0.836 | S | S | * | * | | | trans | -106.7 | 138.2 | 172.3 | 0 | 0 | 0 | 0 | 0 | 111.1 | | |
| 157 | G | 35.3 | Very low | 43.6 | Very low | 74 Ų | 74 | 148.3 Ų | 148.3 | 76% | 0.763 | 83% | 0.834 | S | S | * | * | | | trans | -174.4 | 69.5 | -173.3 | 0 | 0 | 0 | 0 | 0 | 116.7 | | |
| 158 | R | 47.2 | Very low | 43.8 | Very low | 243 Ų | 243 | 150.1 Ų | 150.1 | 92% | 0.917 | 83% | 0.833 | S | S | * | * | | | trans | 38.8 | 112 | 157.1 | -62 | -179.1 | 176.7 | -168.8 | -1.2 | 118.7 | | |
| 159 | R | 41.9 | Very low | 44.5 | Very low | 236 Ų | 236 | 147.2 Ų | 147.2 | 89% | 0.891 | 82% | 0.824 | S | S | * | * | | | trans | -161 | 100.3 | 135.4 | -111.3 | 160.4 | -165.4 | -79.8 | -1.4 | 112.6 | S161 | R159-S161 VanDerWaalsContact C-N 3.33Å; R159-S161 PolarHBondContact O-N 2.83Å |
| 160 | S | 52.9 | Low | 45 | Very low | 139 Ų | 139 | 143.8 Ų | 143.8 | 97% | 0.972 | 82% | 0.815 | S | S | * | * | | | trans | -77.1 | 83.1 | 167 | -55.5 | 0 | 0 | 0 | 0 | 109.7 | | |
| 161 | S | 47.1 | Very low | 46.3 | Very low | 106 Ų | 106 | 146.5 Ų | 146.5 | 74% | 0.741 | 81% | 0.805 | S | S | * | * | | | trans | -162.5 | 65.3 | 171.3 | -161.4 | 0 | 0 | 0 | 0 | 110.3 | R159 | R159-S161 VanDerWaalsContact C-N 3.33Å; R159-S161 PolarHBondContact O-N 2.83Å |
| 162 | L | 44.5 | Very low | 47.9 | Very low | 151 Ų | 151 | 139.9 Ų | 139.9 | 79% | 0.791 | 80% | 0.802 | S | S | * | * | | | trans | -150.9 | 40.8 | 170.4 | -136.2 | 176.1 | 0 | 0 | 0 | 111.7 | M165 | L162-M165 HydrophobicContact CD2-CG 4.5Š|
| 163 | E | 49.6 | Very low | 50.1 | Low | 190 Ų | 190 | 137.2 Ų | 137.2 | 89% | 0.888 | 79% | 0.785 | S | S | * | * | | | trans | -89.4 | 162.2 | 147.7 | -75.6 | -140.2 | 126.8 | 0 | 0 | 108.7 | | |
| 164 | L | 53.2 | Low | 52.9 | Low | 171 Ų | 171 | 136.3 Ų | 136.3 | 90% | 0.895 | 76% | 0.759 | S | S | * | * | S | Bend | trans | 73.5 | 50.5 | 174.6 | -155.7 | 77.3 | 0 | 0 | 0 | 117 | | |
| 165 | M | 53 | Low | 55.2 | Low | 170 Ų | 170 | 131.8 Ų | 131.8 | 84% | 0.837 | 72% | 0.722 | S | S | * | * | | | trans | -158.5 | 44.6 | 146.1 | 47.6 | -178.8 | 59.1 | 0 | 0 | 114.7 | L162 | L162-M165 HydrophobicContact CD2-CG 4.5Š|
| 166 | D | 41.5 | Very low | 57.5 | Low | 151 Ų | 151 | 127 Ų | 127 | 81% | 0.807 | 70% | 0.699 | S | S | * | * | | | trans | -112.9 | 56 | 162.1 | -166.2 | -126.1 | 0 | 0 | 0 | 110.6 | M168 | D166-M168 VanDerWaalsContact C-N 3.32Å; D166-M168 PolarHBondContact O-N 3.43Å |
| 167 | D | 49.9 | Very low | 59.8 | Low | 155 Ų | 155 | 124.4 Ų | 124.4 | 83% | 0.829 | 67% | 0.666 | S | S | * | * | | | trans | -94.5 | 66.6 | 168.2 | -163.8 | -123.4 | 0 | 0 | 0 | 109.5 | | |
| 168 | M | 44.8 | Very low | 62.3 | Low | 140 Ų | 140 | 122.1 Ų | 122.1 | 69% | 0.69 | 64% | 0.638 | S | S | * | * | S | Bend | trans | -126.1 | 153.9 | 175.4 | -85.7 | -70.2 | -79.6 | 0 | 0 | 109.7 | D166 T170 | D166-M168 VanDerWaalsContact C-N 3.32Å; D166-M168 PolarHBondContact O-N 3.43Å; M168-T170 PolarHBondContact O-N 3.4Å |
| 169 | P | 51.6 | Low | 64.3 | Low | 98 Ų | 98 | 111.3 Ų | 111.3 | 64% | 0.636 | 60% | 0.602 | S | S | * | * | S | Bend | | -75.9 | 88.2 | -125 | 24.5 | -36.4 | 0 | 0 | 0 | 115.7 | E171 | P169-E171 VanDerWaalsContact C-N 3.28Š|
| 170 | T | 54.7 | Low | 66.6 | Low | 100 Ų | 100 | 102.2 Ų | 102.2 | 61% | 0.613 | 58% | 0.575 | S | S | * | * | | | trans | -73.9 | -21.7 | 158.2 | 48.3 | 0 | 0 | 0 | 0 | 112.6 | M168 G172 R173 | M168-T170 PolarHBondContact O-N 3.4Å; T170-G172 PolarHBondContact O-N 2.84Å; T170-R173 PolarHBondContact O-N 3.22Å |
| 171 | E | 59.6 | Low | 68.4 | Low | 140 Ų | 140 | 99.3 Ų | 99.3 | 65% | 0.654 | 55% | 0.551 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -47.3 | -18.1 | 179.9 | -175.4 | 58.5 | -163.4 | 0 | 0 | 116.2 | P169 R224 | P169-E171 VanDerWaalsContact C-N 3.28Å; E171-R224 IonicContact OE1-NH2 2.87Å |
| 172 | G | 73.6 | Confident | 70.4 | Confident | 70 Ų | 70 | 98.4 Ų | 98.4 | 72% | 0.722 | 55% | 0.545 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -86.2 | -9.5 | -178.6 | 0 | 0 | 0 | 0 | 0 | 116.9 | T170 | T170-G172 PolarHBondContact O-N 2.84Š|
| 173 | R | 87.4 | Confident | 72.7 | Confident | 104 Ų | 104 | 92.8 Ų | 92.8 | 39% | 0.392 | 52% | 0.517 | S | S | . | . | | | trans | -109.2 | 107.6 | -173.9 | -82.4 | 173.4 | -79.7 | -156.8 | -5.6 | 112.3 | T170 W186 Y194 | T170-R173 PolarHBondContact O-N 3.22Å; R173-W186 HydrophobicContact CB-CH2 4.13Å; R173-W186 HydrophobicContact CB-CZ2 3.72Å; R173-W186 VanDerWaalsContact O-CH2 3.23Å; R173-W186 WeakPolarHBondContact O-CH2 3.25Å; R173-W186 WeakPolarHBondContact O-CZ2 3.28Å; R173-Y194 HydrophobicContact CG-CD1 4.2Å; R173-Y194 HydrophobicContact CG-CD2 4.3Å; R173-Y194 HydrophobicContact CG-CE1 4.12Å; R173-Y194 HydrophobicContact CG-CE2 4.23Å; R173-Y194 HydrophobicContact CG-CG 4.3Å |
| 174 | E | 92.4 | Very high | 74.6 | Confident | 63 Ų | 63 | 89.8 Ų | 89.8 | 29% | 0.294 | 51% | 0.514 | S | S | . | . | | | trans | -111.2 | 149.8 | 166.9 | 72.2 | 164.3 | 151.8 | 0 | 0 | 112.4 | V176 G179 V181 Q220 | E174-V176 PolarHBondContact O-N 2.87Å; E174-G179 WeakPolarHBondContact OE2-CA 3.45Å; E174-V181 HydrophobicContact CB-CG1 4.37Å; E174-Q220 VanDerWaalsContact CD-NE2 3.32Å; E174-Q220 PolarHBondContact OE2-NE2 3.27Å; E174-Q220 PolarHBondContact OE2-OE1 2.96Å |
| 175 | C | 93.1 | Very high | 76.5 | Confident | 0 Ų | 0 | 85.7 Ų | 85.7 | 0% | 0 | 49% | 0.492 | C | S | . | . | | | trans | -73.2 | 117.6 | 171.5 | 173.7 | 0 | 0 | 0 | 0 | 111.2 | N177 C178 G179 S180 W186 Y194 C196 | C175-N177 PolarHBondContact O-N 3.43Å; C175-C178 PolarHBondContact O-N 3.32Å; C175-G179 WeakPolarHBondContact O-CA 3.34Å; C175-G179 PolarHBondContact O-N 3.25Å; C175-S180 PolarHBondContact N-O 2.87Å; C175-W186 HydrophobicContact CB-CZ3 4.19Å; C175-Y194 WeakPolarHBondContact CA-O 3.28Å; C175-C196 HydrophobicContact CB-CB 3.84Å; C175-C196 PolarHBondContact SG-N 2.74Å; C175-C196 VanDerWaalsContact SG-SG 3.61Å |
| 176 | V | 91.8 | Very high | 78.4 | Confident | 82 Ų | 82 | 81 Ų | 81 | 50% | 0.497 | 47% | 0.465 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -60.9 | -19.9 | -175 | -60.8 | 0 | 0 | 0 | 0 | 115.2 | E174 H193 Y194 L195 | E174-V176 PolarHBondContact O-N 2.87Å; V176-H193 HydrophobicContact CG1-CB 3.96Å; V176-H193 HydrophobicContact CG2-CB 3.8Å; V176-Y194 PolarHBondContact N-O 2.69Å; V176-L195 HydrophobicContact CG2-CD2 3.68Å; V176-L195 HydrophobicContact CG2-CG 4.48Å |
| 177 | N | 90.1 | Very high | 81 | Confident | 30 Ų | 30 | 78 Ų | 78 | 16% | 0.16 | 44% | 0.443 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -97 | -14.8 | 177.7 | -174.7 | 64 | 0 | 0 | 0 | 114.4 | C175 L195 C199 N209 R210 | C175-N177 PolarHBondContact O-N 3.43Å; N177-L195 HydrophobicContact CB-CD2 4.01Å; N177-C199 HydrophobicContact CB-CB 4.32Å; N177-C199 PolarHBondContact ND2-SG 2.85Å; N177-N209 WeakPolarHBondContact OD1-CB 3.23Å; N177-N209 PolarHBondContact OD1-OD1 3.47Å; N177-R210 WeakPolarHBondContact ND2-CB 3.2Å; N177-R210 PolarHBondContact ND2-N 3Å; N177-R210 PolarHBondContact ND2-O 3.06Å |
| 178 | C | 89.2 | Confident | 83.1 | Confident | 25 Ų | 25 | 77.8 Ų | 77.8 | 17% | 0.169 | 43% | 0.43 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -147 | 1.8 | -176.2 | 84.4 | 0 | 0 | 0 | 0 | 116.7 | C175 S180 L212 Q216 | C175-C178 PolarHBondContact O-N 3.32Å; C178-S180 PolarHBondContact O-N 3.02Å; C178-L212 HydrophobicContact CB-CD1 3.89Å; C178-L212 HydrophobicContact CB-CD2 3.83Å; C178-L212 HydrophobicContact CB-CG 4.39Å; C178-Q216 PolarHBondContact O-NE2 3.5Å |
| 179 | G | 88.9 | Confident | 85.1 | Confident | 16 Ų | 16 | 73.1 Ų | 73.1 | 17% | 0.165 | 41% | 0.408 | C | S | . | . | | | trans | 55.9 | 20.1 | 178.9 | 0 | 0 | 0 | 0 | 0 | 115.7 | E174 C175 V181 Q216 | E174-G179 WeakPolarHBondContact OE2-CA 3.45Å; C175-G179 WeakPolarHBondContact O-CA 3.34Å; C175-G179 PolarHBondContact O-N 3.25Å; G179-V181 PolarHBondContact O-N 2.93Å; G179-Q216 VanDerWaalsContact N-NE2 3.14Å |
| 180 | S | 89.9 | Confident | 86.8 | Confident | 45 Ų | 45 | 72.8 Ų | 72.8 | 32% | 0.315 | 42% | 0.423 | S | S | . | . | | | trans | -67.7 | 120.2 | 171.4 | -155.5 | 0 | 0 | 0 | 0 | 107.8 | C175 C178 S182 W186 | C175-S180 PolarHBondContact N-O 2.87Å; C178-S180 PolarHBondContact O-N 3.02Å; S180-S182 WeakPolarHBondContact CB-O 3.47Å; S180-S182 PolarHBondContact OG-O 3.16Å; S180-W186 WeakPolarHBondContact O-CH2 3.42Å |
| 181 | V | 91.3 | Very high | 88.5 | Confident | 79 Ų | 79 | 73.1 Ų | 73.1 | 48% | 0.479 | 43% | 0.425 | S | S | . | . | S | Bend | trans | -83.9 | -23.2 | 174.7 | -64.7 | 0 | 0 | 0 | 0 | 112.1 | E174 G179 W186 | E174-V181 HydrophobicContact CB-CG1 4.37Å; G179-V181 PolarHBondContact O-N 2.93Å; V181-W186 WeakPolarHBondContact O-CZ2 3.41Å |
| 182 | S | 89.4 | Confident | 89.9 | Confident | 86 Ų | 86 | 68 Ų | 68 | 60% | 0.601 | 41% | 0.41 | S | S | * | . | | | trans | -108.2 | 147.2 | 170.4 | 60.2 | 0 | 0 | 0 | 0 | 111.3 | S180 | S180-S182 WeakPolarHBondContact CB-O 3.47Å; S180-S182 PolarHBondContact OG-O 3.16Å |
| 183 | T | 91.3 | Very high | 90.8 | Very high | 33 Ų | 33 | 69.1 Ų | 69.1 | 20% | 0.202 | 40% | 0.396 | C | S | . | . | | | trans | -164.6 | 145 | 172.4 | -171 | 0 | 0 | 0 | 0 | 110 | L185 W186 C196 N197 | T183-L185 PolarHBondContact O-N 3.49Å; T183-L185 PolarHBondContact OG1-O 2.89Å; T183-W186 HydrophobicContact CG2-CD2 3.46Å; T183-W186 VanDerWaalsContact CG2-CD2 3.46Å; T183-W186 VanDerWaalsContact CG2-CE2 3.48Å; T183-W186 HydrophobicContact CG2-CE3 3.85Å; T183-W186 HydrophobicContact CG2-CG 3.83Å; T183-W186 HydrophobicContact CG2-CH2 4.22Å; T183-W186 HydrophobicContact CG2-CZ2 3.87Å; T183-W186 HydrophobicContact CG2-CZ3 4.21Å; T183-C196 HydrophobicContact CG2-CB 4.16Å; T183-C196 WeakPolarHBondContact OG1-CB 3.38Å; T183-N197 PolarHBondContact OG1-N 3.39Å |
| 184 | P | 90.5 | Very high | 91.1 | Very high | 127 Ų | 127 | 67.9 Ų | 67.9 | 83% | 0.825 | 39% | 0.392 | S | S | * | . | S | Bend | trans | -69.3 | -14.6 | 177.9 | 27.1 | -36.5 | 0 | 0 | 0 | 114.1 | | |
| 185 | L | 92.3 | Very high | 91.1 | Very high | 86 Ų | 86 | 65.2 Ų | 65.2 | 45% | 0.45 | 38% | 0.379 | S | S | . | . | S | Bend | trans | -154.6 | 122.9 | 171.5 | 178.8 | 62 | 0 | 0 | 0 | 110.4 | T183 N197 | T183-L185 PolarHBondContact O-N 3.49Å; T183-L185 PolarHBondContact OG1-O 2.89Å; L185-N197 HydrophobicContact CB-CB 4.1Å; L185-N197 WeakPolarHBondContact O-CA 3.33Å; L185-N197 WeakPolarHBondContact O-CB 3.36Å; L185-N197 PolarHBondContact O-N 3.46Å |
| 186 | W | 94.2 | Very high | 91.2 | Very high | 72 Ų | 72 | 65.5 Ų | 65.5 | 27% | 0.273 | 38% | 0.381 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.1 | 133.1 | 168.8 | -75.3 | 109.2 | 0 | 0 | 0 | 110.6 | R173 C175 S180 V181 T183 | R173-W186 HydrophobicContact CB-CH2 4.13Å; R173-W186 HydrophobicContact CB-CZ2 3.72Å; R173-W186 VanDerWaalsContact O-CH2 3.23Å; R173-W186 WeakPolarHBondContact O-CH2 3.25Å; R173-W186 WeakPolarHBondContact O-CZ2 3.28Å; C175-W186 HydrophobicContact CB-CZ3 4.19Å; S180-W186 WeakPolarHBondContact O-CH2 3.42Å; V181-W186 WeakPolarHBondContact O-CZ2 3.41Å; T183-W186 HydrophobicContact CG2-CD2 3.46Å; T183-W186 VanDerWaalsContact CG2-CD2 3.46Å; T183-W186 VanDerWaalsContact CG2-CE2 3.48Å; T183-W186 HydrophobicContact CG2-CE3 3.85Å; T183-W186 HydrophobicContact CG2-CG 3.83Å; T183-W186 HydrophobicContact CG2-CH2 4.22Å; T183-W186 HydrophobicContact CG2-CZ2 3.87Å; T183-W186 HydrophobicContact CG2-CZ3 4.21Å |
| 187 | R | 94.1 | Very high | 91.4 | Very high | 88 Ų | 88 | 63.5 Ų | 63.5 | 33% | 0.332 | 37% | 0.368 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.9 | 158.4 | 172.3 | -63.8 | -177.4 | 178.9 | -80.2 | -2.7 | 109.1 | L195 N197 | R187-L195 HydrophobicContact CB-CB 4.45Å; R187-L195 PolarHBondContact N-O 3.45Å; R187-L195 PolarHBondContact O-N 2.96Å; R187-N197 VanDerWaalsContact CZ-OD1 3.28Å; R187-N197 PolarHBondContact NE-OD1 3.11Å; R187-N197 PolarHBondContact NH2-OD1 2.93Å |
| 188 | R | 94.2 | Very high | 91.5 | Very high | 149 Ų | 149 | 64.1 Ų | 64.1 | 56% | 0.562 | 38% | 0.378 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -111.6 | 149.3 | 166.1 | -64.8 | -174.6 | -174.5 | -81.2 | 1.6 | 109.9 | G192 H193 Y194 | R188-G192 PolarHBondContact NH1-O 3.2Å; R188-H193 VanDerWaalsContact CA-O 3.28Å; R188-H193 WeakPolarHBondContact CA-O 3.33Å; R188-Y194 VanDerWaalsContact CZ-CE1 3.49Å; R188-Y194 VanDerWaalsContact NH1-CE1 3.27Å; R188-Y194 PolarHBondContact NH1-OH 3.05Å; R188-Y194 PolarHBondContact NH2-OH 3.03Å |
| 189 | D | 87.5 | Confident | 91.7 | Very high | 42 Ų | 42 | 63 Ų | 63 | 23% | 0.225 | 37% | 0.37 | C | S | . | . | | | trans | -82.8 | 174.1 | 160.5 | 67.8 | 21.8 | 0 | 0 | 0 | 111.2 | T191 G192 H193 L195 | D189-T191 PolarHBondContact O-N 3.5Å; D189-T191 VanDerWaalsContact O-N 3.08Å; D189-T191 VanDerWaalsContact OD1-CA 3.25Å; D189-T191 WeakPolarHBondContact OD1-CA 3.36Å; D189-T191 WeakPolarHBondContact OD1-CB 3.42Å; D189-T191 PolarHBondContact OD1-N 2.99Å; D189-T191 PolarHBondContact OD1-OG1 3.44Å; D189-T191 PolarHBondContact OD2-OG1 3.5Å; D189-G192 PolarHBondContact O-N 2.93Å; D189-G192 PolarHBondContact OD1-N 3.03Å; D189-H193 PolarHBondContact N-O 3.05Å; D189-H193 IonicContact OD1-CG 3.24Å; D189-H193 PolarHBondContact OD1-N 3.05Å; D189-H193 IonicContact OD1-ND1 3.87Å; D189-H193 PolarHBondContact OD1-ND1 3.27Å; D189-H193 WeakPolarHBondContact OD2-CB 3.45Å; D189-H193 IonicContact OD2-CG 3.86Å; D189-H193 IonicContact OD2-ND1 3.35Å; D189-H193 PolarHBondContact OD2-ND1 2.76Å; D189-L195 HydrophobicContact CB-CD1 4.1Å |
| 190 | G | 87 | Confident | 91.9 | Very high | 92 Ų | 92 | 62.8 Ų | 62.8 | 95% | 0.948 | 37% | 0.367 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.4 | -3.2 | 177 | 0 | 0 | 0 | 0 | 0 | 114.8 | | |
| 191 | T | 89.9 | Confident | 92 | Very high | 107 Ų | 107 | 64.6 Ų | 64.6 | 66% | 0.656 | 37% | 0.373 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -108.9 | 7.3 | 173 | 43.4 | 0 | 0 | 0 | 0 | 112.5 | D189 H193 | D189-T191 PolarHBondContact O-N 3.5Å; D189-T191 VanDerWaalsContact O-N 3.08Å; D189-T191 VanDerWaalsContact OD1-CA 3.25Å; D189-T191 WeakPolarHBondContact OD1-CA 3.36Å; D189-T191 WeakPolarHBondContact OD1-CB 3.42Å; D189-T191 PolarHBondContact OD1-N 2.99Å; D189-T191 PolarHBondContact OD1-OG1 3.44Å; D189-T191 PolarHBondContact OD2-OG1 3.5Å; T191-H193 PolarHBondContact OG1-CE1 3.28Å; T191-H193 VanDerWaalsContact OG1-CE1 3.32Å; T191-H193 PolarHBondContact OG1-ND1 3.47Å |
| 192 | G | 89.2 | Confident | 92.1 | Very high | 33 Ų | 33 | 63.7 Ų | 63.7 | 34% | 0.34 | 36% | 0.362 | S | S | . | . | | | trans | 87.3 | -6.7 | 174.1 | 0 | 0 | 0 | 0 | 0 | 116.3 | R188 D189 | R188-G192 PolarHBondContact NH1-O 3.2Å; D189-G192 PolarHBondContact O-N 2.93Å; D189-G192 PolarHBondContact OD1-N 3.03Å |
| 193 | H | 92.6 | Very high | 92.1 | Very high | 93 Ų | 93 | 63 Ų | 63 | 43% | 0.431 | 35% | 0.349 | S | S | . | . | | | trans | -66.2 | 145.3 | -176.1 | -54.8 | 107.5 | 0 | 0 | 0 | 112.3 | V176 R188 D189 T191 | V176-H193 HydrophobicContact CG1-CB 3.96Å; V176-H193 HydrophobicContact CG2-CB 3.8Å; R188-H193 VanDerWaalsContact CA-O 3.28Å; R188-H193 WeakPolarHBondContact CA-O 3.33Å; D189-H193 PolarHBondContact N-O 3.05Å; D189-H193 IonicContact OD1-CG 3.24Å; D189-H193 PolarHBondContact OD1-N 3.05Å; D189-H193 IonicContact OD1-ND1 3.87Å; D189-H193 PolarHBondContact OD1-ND1 3.27Å; D189-H193 WeakPolarHBondContact OD2-CB 3.45Å; D189-H193 IonicContact OD2-CG 3.86Å; D189-H193 IonicContact OD2-ND1 3.35Å; D189-H193 PolarHBondContact OD2-ND1 2.76Å; T191-H193 PolarHBondContact OG1-CE1 3.28Å; T191-H193 VanDerWaalsContact OG1-CE1 3.32Å; T191-H193 PolarHBondContact OG1-ND1 3.47Å |
| 194 | Y | 94.2 | Very high | 92.1 | Very high | 77 Ų | 77 | 70.1 Ų | 70.1 | 30% | 0.302 | 38% | 0.377 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.7 | 127.3 | 175.7 | -62.8 | -76.5 | 0 | 0 | 0 | 111.7 | R173 C175 V176 R188 | R173-Y194 HydrophobicContact CG-CD1 4.2Å; R173-Y194 HydrophobicContact CG-CD2 4.3Å; R173-Y194 HydrophobicContact CG-CE1 4.12Å; R173-Y194 HydrophobicContact CG-CE2 4.23Å; R173-Y194 HydrophobicContact CG-CG 4.3Å; C175-Y194 WeakPolarHBondContact CA-O 3.28Å; V176-Y194 PolarHBondContact N-O 2.69Å; R188-Y194 VanDerWaalsContact CZ-CE1 3.49Å; R188-Y194 VanDerWaalsContact NH1-CE1 3.27Å; R188-Y194 PolarHBondContact NH1-OH 3.05Å; R188-Y194 PolarHBondContact NH2-OH 3.03Å |
| 195 | L | 93.6 | Very high | 91.9 | Very high | 7 Ų | 7 | 71.1 Ų | 71.1 | 4% | 0.037 | 37% | 0.372 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.5 | 138.7 | 172.4 | -68.6 | 174.6 | 0 | 0 | 0 | 109.8 | V176 N177 R187 D189 C199 | V176-L195 HydrophobicContact CG2-CD2 3.68Å; V176-L195 HydrophobicContact CG2-CG 4.48Å; N177-L195 HydrophobicContact CB-CD2 4.01Å; R187-L195 HydrophobicContact CB-CB 4.45Å; R187-L195 PolarHBondContact N-O 3.45Å; R187-L195 PolarHBondContact O-N 2.96Å; D189-L195 HydrophobicContact CB-CD1 4.1Å; L195-C199 HydrophobicContact CD2-CB 4.26Å |
| 196 | C | 95.1 | Very high | 91.8 | Very high | 6 Ų | 6 | 70.4 Ų | 70.4 | 4% | 0.041 | 37% | 0.369 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -68 | 155.9 | 168.7 | 72 | 0 | 0 | 0 | 0 | 110.5 | C175 T183 A198 C199 G200 | C175-C196 HydrophobicContact CB-CB 3.84Å; C175-C196 PolarHBondContact SG-N 2.74Å; C175-C196 VanDerWaalsContact SG-SG 3.61Å; T183-C196 HydrophobicContact CG2-CB 4.16Å; T183-C196 WeakPolarHBondContact OG1-CB 3.38Å; C196-A198 PolarHBondContact O-N 3Å; C196-A198 VanDerWaalsContact O-N 3.11Å; C196-C199 PolarHBondContact O-N 3.04Å; C196-G200 PolarHBondContact O-N 3.27Å |
| 197 | N | 95.1 | Very high | 91.5 | Very high | 40 Ų | 40 | 69.7 Ų | 69.7 | 21% | 0.214 | 38% | 0.384 | C | S | . | . | H | α-helix | trans | -48.2 | -46.9 | -175.9 | -168.7 | 23.2 | 0 | 0 | 0 | 112.4 | T183 L185 R187 C199 G200 L201 | T183-N197 PolarHBondContact OG1-N 3.39Å; L185-N197 HydrophobicContact CB-CB 4.1Å; L185-N197 WeakPolarHBondContact O-CA 3.33Å; L185-N197 WeakPolarHBondContact O-CB 3.36Å; L185-N197 PolarHBondContact O-N 3.46Å; R187-N197 VanDerWaalsContact CZ-OD1 3.28Å; R187-N197 PolarHBondContact NE-OD1 3.11Å; R187-N197 PolarHBondContact NH2-OD1 2.93Å; N197-C199 PolarHBondContact O-N 3.29Å; N197-G200 PolarHBondContact O-N 3.09Å; N197-L201 WeakPolarHBondContact O-CB 3.49Å; N197-L201 VanDerWaalsContact O-CG 3.28Å; N197-L201 WeakPolarHBondContact O-CG 3.33Å; N197-L201 PolarHBondContact O-N 3.19Å; N197-L201 WeakPolarHBondContact OD1-CD1 3.37Å |
| 198 | A | 92.5 | Very high | 91.2 | Very high | 44 Ų | 44 | 69.1 Ų | 69.1 | 36% | 0.364 | 39% | 0.387 | S | S | . | . | H | α-helix | trans | -67.3 | -33.6 | -179.4 | 0 | 0 | 0 | 0 | 0 | 114.3 | C196 Y202 | C196-A198 PolarHBondContact O-N 3Å; C196-A198 VanDerWaalsContact O-N 3.11Å; A198-Y202 VanDerWaalsContact O-CB 3.31Å; A198-Y202 WeakPolarHBondContact O-CB 3.38Å; A198-Y202 PolarHBondContact O-N 3.22Å |
| 199 | C | 93.3 | Very high | 90.7 | Very high | 1 Ų | 1 | 66.6 Ų | 66.6 | 1% | 0.007 | 38% | 0.384 | C | S | . | . | H | α-helix | trans | -79.3 | -39.4 | 176.2 | -71 | 0 | 0 | 0 | 0 | 111.7 | N177 L195 C196 N197 Y202 H203 | N177-C199 HydrophobicContact CB-CB 4.32Å; N177-C199 PolarHBondContact ND2-SG 2.85Å; L195-C199 HydrophobicContact CD2-CB 4.26Å; C196-C199 PolarHBondContact O-N 3.04Å; N197-C199 PolarHBondContact O-N 3.29Å; C199-Y202 PolarHBondContact O-N 3.24Å; C199-H203 WeakPolarHBondContact O-CB 3.38Å; C199-H203 PolarHBondContact O-N 3.33Å |
| 200 | G | 93.5 | Very high | 90.7 | Very high | 11 Ų | 11 | 69.9 Ų | 69.9 | 11% | 0.113 | 39% | 0.393 | C | S | . | . | H | α-helix | trans | -67 | -38.7 | 176.5 | 0 | 0 | 0 | 0 | 0 | 113 | C196 N197 K204 | C196-G200 PolarHBondContact O-N 3.27Å; N197-G200 PolarHBondContact O-N 3.09Å; G200-K204 WeakPolarHBondContact O-CB 3.49Å; G200-K204 PolarHBondContact O-N 3.37Å |
| 201 | L | 91.9 | Very high | 90.4 | Very high | 84 Ų | 84 | 69.4 Ų | 69.4 | 44% | 0.44 | 37% | 0.374 | S | S | . | . | H | α-helix | trans | -64.4 | -47.2 | 172.6 | -75 | 170.3 | 0 | 0 | 0 | 111.8 | N197 H203 K204 M205 | N197-L201 WeakPolarHBondContact O-CB 3.49Å; N197-L201 VanDerWaalsContact O-CG 3.28Å; N197-L201 WeakPolarHBondContact O-CG 3.33Å; N197-L201 PolarHBondContact O-N 3.19Å; N197-L201 WeakPolarHBondContact OD1-CD1 3.37Å; L201-H203 PolarHBondContact O-N 2.94Å; L201-K204 PolarHBondContact O-N 3.25Å; L201-M205 WeakPolarHBondContact O-CB 3.43Å; L201-M205 PolarHBondContact O-N 3.45Å |
| 202 | Y | 92.1 | Very high | 89.9 | Confident | 59 Ų | 59 | 67.5 Ų | 67.5 | 23% | 0.231 | 36% | 0.359 | C | S | . | . | H | α-helix | trans | -62.2 | -44.5 | 178.2 | -170.3 | -85.2 | 0 | 0 | 0 | 111.9 | A198 C199 K204 M205 N206 I208 R210 P211 | A198-Y202 VanDerWaalsContact O-CB 3.31Å; A198-Y202 WeakPolarHBondContact O-CB 3.38Å; A198-Y202 PolarHBondContact O-N 3.22Å; C199-Y202 PolarHBondContact O-N 3.24Å; Y202-K204 VanDerWaalsContact C-N 3.34Å; Y202-K204 PolarHBondContact O-N 3.2Å; Y202-M205 PolarHBondContact O-N 3.12Å; Y202-N206 HydrophobicContact CD1-CB 4.27Å; Y202-N206 WeakPolarHBondContact CD2-OD1 3.31Å; Y202-N206 HydrophobicContact CE1-CB 3.96Å; Y202-N206 WeakPolarHBondContact CE2-OD1 3.42Å; Y202-N206 WeakPolarHBondContact O-CB 3.42Å; Y202-N206 PolarHBondContact O-N 3.31Å; Y202-N206 PolarHBondContact O-OD1 2.72Å; Y202-I208 WeakPolarHBondContact CD1-O 3.38Å; Y202-I208 HydrophobicContact CE1-CD1 4.14Å; Y202-I208 HydrophobicContact CE1-CG1 3.96Å; Y202-R210 HydrophobicContact CD1-CB 3.63Å; Y202-R210 HydrophobicContact CD1-CG 3.98Å; Y202-R210 HydrophobicContact CD2-CG 4.08Å; Y202-R210 HydrophobicContact CE1-CB 4.21Å; Y202-R210 HydrophobicContact CE1-CG 4.41Å; Y202-R210 HydrophobicContact CG-CB 3.85Å; Y202-R210 HydrophobicContact CG-CG 3.78Å; Y202-P211 VanDerWaalsContact CZ-CD 3.5Å; Y202-P211 WeakPolarHBondContact OH-CD 3.24Å |
| 203 | H | 90.7 | Very high | 89.1 | Confident | 73 Ų | 73 | 74 Ų | 74 | 34% | 0.338 | 38% | 0.384 | S | S | . | . | H | α-helix | trans | -62.7 | -39.9 | 176.3 | -172 | -76 | 0 | 0 | 0 | 112 | C199 L201 G207 | C199-H203 WeakPolarHBondContact O-CB 3.38Å; C199-H203 PolarHBondContact O-N 3.33Å; L201-H203 PolarHBondContact O-N 2.94Å; H203-G207 WeakPolarHBondContact O-CA 3.48Å; H203-G207 PolarHBondContact O-N 3.02Å |
| 204 | K | 89.9 | Confident | 88 | Confident | 181 Ų | 181 | 78 Ų | 78 | 79% | 0.787 | 40% | 0.401 | S | S | * | . | H | α-helix | trans | -66.3 | -37.2 | 175.9 | -173.3 | 179.1 | 179.1 | -175.6 | 0 | 112.6 | G200 L201 Y202 | G200-K204 WeakPolarHBondContact O-CB 3.49Å; G200-K204 PolarHBondContact O-N 3.37Å; L201-K204 PolarHBondContact O-N 3.25Å; Y202-K204 VanDerWaalsContact C-N 3.34Å; Y202-K204 PolarHBondContact O-N 3.2Å |
| 205 | M | 87.1 | Confident | 86.3 | Confident | 148 Ų | 148 | 79.9 Ų | 79.9 | 73% | 0.729 | 42% | 0.422 | S | S | * | . | H | α-helix | trans | -83.3 | -36.7 | -175.9 | -172.9 | 174.1 | 72.6 | 0 | 0 | 113.3 | L201 Y202 | L201-M205 WeakPolarHBondContact O-CB 3.43Å; L201-M205 PolarHBondContact O-N 3.45Å; Y202-M205 PolarHBondContact O-N 3.12Å |
| 206 | N | 90.4 | Very high | 84.6 | Confident | 72 Ų | 72 | 83.5 Ų | 83.5 | 39% | 0.385 | 44% | 0.439 | S | S | . | . | H | α-helix | trans | -109.9 | -8.7 | -171.2 | -62.9 | 95.6 | 0 | 0 | 0 | 114 | Y202 I208 | Y202-N206 HydrophobicContact CD1-CB 4.27Å; Y202-N206 WeakPolarHBondContact CD2-OD1 3.31Å; Y202-N206 HydrophobicContact CE1-CB 3.96Å; Y202-N206 WeakPolarHBondContact CE2-OD1 3.42Å; Y202-N206 WeakPolarHBondContact O-CB 3.42Å; Y202-N206 PolarHBondContact O-N 3.31Å; Y202-N206 PolarHBondContact O-OD1 2.72Å; N206-I208 HydrophobicContact CB-CG1 3.79Å; N206-I208 PolarHBondContact O-N 3.44Å; N206-I208 VanDerWaalsContact O-N 3.09Å |
| 207 | G | 87.2 | Confident | 82.7 | Confident | 56 Ų | 56 | 91.7 Ų | 91.7 | 58% | 0.577 | 47% | 0.474 | S | S | * | . | S | Bend | trans | 66.5 | 6.1 | -177.1 | 0 | 0 | 0 | 0 | 0 | 114.9 | H203 | H203-G207 WeakPolarHBondContact O-CA 3.48Å; H203-G207 PolarHBondContact O-N 3.02Å |
| 208 | I | 87.6 | Confident | 80.8 | Confident | 77 Ų | 77 | 97.3 Ų | 97.3 | 40% | 0.395 | 49% | 0.492 | S | S | . | . | S | Bend | trans | -130.5 | 154 | -177.5 | 54.1 | 157.4 | 0 | 0 | 0 | 111.2 | Y202 N206 | Y202-I208 WeakPolarHBondContact CD1-O 3.38Å; Y202-I208 HydrophobicContact CE1-CD1 4.14Å; Y202-I208 HydrophobicContact CE1-CG1 3.96Å; N206-I208 HydrophobicContact CB-CG1 3.79Å; N206-I208 PolarHBondContact O-N 3.44Å; N206-I208 VanDerWaalsContact O-N 3.09Å |
| 209 | N | 85.4 | Confident | 79 | Confident | 96 Ų | 96 | 100.2 Ų | 100.2 | 51% | 0.513 | 50% | 0.501 | S | S | . | . | | | trans | -62.9 | 138.5 | 173.2 | -82.5 | -52.7 | 0 | 0 | 0 | 111.5 | N177 P211 | N177-N209 WeakPolarHBondContact OD1-CB 3.23Å; N177-N209 PolarHBondContact OD1-OD1 3.47Å; N209-P211 WeakPolarHBondContact O-CD 3.33Å |
| 210 | R | 86.4 | Confident | 77.1 | Confident | 110 Ų | 110 | 103.1 Ų | 103.1 | 42% | 0.415 | 51% | 0.514 | S | S | . | . | | | trans | -62.1 | 120.8 | -175.6 | -169.6 | -179.3 | 180 | -141.4 | 2.5 | 110.3 | N177 Y202 L212 | N177-R210 WeakPolarHBondContact ND2-CB 3.2Å; N177-R210 PolarHBondContact ND2-N 3Å; N177-R210 PolarHBondContact ND2-O 3.06Å; Y202-R210 HydrophobicContact CD1-CB 3.63Å; Y202-R210 HydrophobicContact CD1-CG 3.98Å; Y202-R210 HydrophobicContact CD2-CG 4.08Å; Y202-R210 HydrophobicContact CE1-CB 4.21Å; Y202-R210 HydrophobicContact CE1-CG 4.41Å; Y202-R210 HydrophobicContact CG-CB 3.85Å; Y202-R210 HydrophobicContact CG-CG 3.78Å; R210-L212 VanDerWaalsContact O-CD1 3.23Å; R210-L212 WeakPolarHBondContact O-CD1 3.23Å; R210-L212 PolarHBondContact O-N 3.31Å |
| 211 | P | 81.1 | Confident | 75.3 | Confident | 82 Ų | 82 | 104.7 Ų | 104.7 | 53% | 0.532 | 52% | 0.522 | S | S | . | . | | | trans | -69.2 | 115.3 | -178.8 | 26.8 | -33.1 | 0 | 0 | 0 | 110.3 | Y202 N209 I213 | Y202-P211 VanDerWaalsContact CZ-CD 3.5Å; Y202-P211 WeakPolarHBondContact OH-CD 3.24Å; N209-P211 WeakPolarHBondContact O-CD 3.33Å; P211-I213 PolarHBondContact O-N 2.85Å |
| 212 | L | 79.7 | Confident | 73.6 | Confident | 68 Ų | 68 | 105 Ų | 105 | 36% | 0.356 | 53% | 0.527 | S | S | . | . | | | trans | -84.2 | 101.5 | 179.4 | -99.2 | 68.7 | 0 | 0 | 0 | 110.7 | C178 R210 K214 Q216 | C178-L212 HydrophobicContact CB-CD1 3.89Å; C178-L212 HydrophobicContact CB-CD2 3.83Å; C178-L212 HydrophobicContact CB-CG 4.39Å; R210-L212 VanDerWaalsContact O-CD1 3.23Å; R210-L212 WeakPolarHBondContact O-CD1 3.23Å; R210-L212 PolarHBondContact O-N 3.31Å; L212-K214 PolarHBondContact O-N 3.3Å; L212-Q216 HydrophobicContact CD2-CG 3.5Å |
| 213 | I | 72.7 | Confident | 71.9 | Confident | 169 Ų | 169 | 106.6 Ų | 106.6 | 87% | 0.867 | 55% | 0.547 | S | S | * | . | S | Bend | trans | -58.8 | -29.7 | 179.3 | -61.3 | 170.3 | 0 | 0 | 0 | 112.1 | P211 | P211-I213 PolarHBondContact O-N 2.85Š|
| 214 | K | 68.6 | Low | 70.4 | Confident | 177 Ų | 177 | 112.3 Ų | 112.3 | 77% | 0.77 | 57% | 0.566 | S | S | * | * | S | Bend | trans | -105.8 | 124.7 | 168.1 | -73 | 177.3 | 177.5 | 174.2 | 0 | 108.8 | L212 Q216 | L212-K214 PolarHBondContact O-N 3.3Å; K214-Q216 PolarHBondContact O-N 2.99Å |
| 215 | P | 57.9 | Low | 69.1 | Low | 116 Ų | 116 | 107.3 Ų | 107.3 | 75% | 0.753 | 54% | 0.542 | S | S | * | . | | | trans | -61.7 | 136.2 | 175 | 27.1 | -34.1 | 0 | 0 | 0 | 109.4 | K217 | P215-K217 PolarHBondContact O-N 3.44Å; P215-K217 VanDerWaalsContact O-N 3.11Å |
| 216 | Q | 58 | Low | 68.2 | Low | 83 Ų | 83 | 104.6 Ų | 104.6 | 39% | 0.388 | 54% | 0.543 | S | S | . | . | | | trans | -59.3 | 119.4 | -179 | -75.9 | -171.9 | -110 | 0 | 0 | 111.4 | C178 G179 L212 K214 R218 | C178-Q216 PolarHBondContact O-NE2 3.5Å; G179-Q216 VanDerWaalsContact N-NE2 3.14Å; L212-Q216 HydrophobicContact CD2-CG 3.5Å; K214-Q216 PolarHBondContact O-N 2.99Å; Q216-R218 VanDerWaalsContact C-N 3.27Å; Q216-R218 PolarHBondContact O-N 2.81Å |
| 217 | K | 55.6 | Low | 67.7 | Low | 178 Ų | 178 | 104.2 Ų | 104.2 | 77% | 0.774 | 56% | 0.556 | S | S | * | * | | | trans | -66.3 | 91.5 | 152.6 | -69.4 | -171.5 | 177.2 | -175.6 | 0 | 107.5 | P215 L219 | P215-K217 PolarHBondContact O-N 3.44Å; P215-K217 VanDerWaalsContact O-N 3.11Å; K217-L219 HydrophobicContact CB-CD1 3.69Å; K217-L219 HydrophobicContact CB-CG 3.95Å; K217-L219 HydrophobicContact CD-CD1 4.21Å; K217-L219 PolarHBondContact O-N 3.29Å |
| 218 | R | 55.7 | Low | 67.8 | Low | 159 Ų | 159 | 104.4 Ų | 104.4 | 60% | 0.6 | 54% | 0.543 | S | S | * | . | | | trans | -72.3 | 64.1 | 176.1 | -165.8 | -177.4 | -179.8 | -161.8 | -0.9 | 111 | Q216 Q220 | Q216-R218 VanDerWaalsContact C-N 3.27Å; Q216-R218 PolarHBondContact O-N 2.81Å; R218-Q220 VanDerWaalsContact C-N 3.34Å; R218-Q220 PolarHBondContact O-N 3.31Å |
| 219 | L | 53.2 | Low | 68.2 | Low | 104 Ų | 104 | 102.3 Ų | 102.3 | 55% | 0.545 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -65 | -31 | -168 | -84.2 | 148.7 | 0 | 0 | 0 | 113.8 | K217 T221 T222 S223 | K217-L219 HydrophobicContact CB-CD1 3.69Å; K217-L219 HydrophobicContact CB-CG 3.95Å; K217-L219 HydrophobicContact CD-CD1 4.21Å; K217-L219 PolarHBondContact O-N 3.29Å; L219-T221 PolarHBondContact O-N 3.39Å; L219-T222 HydrophobicContact CD2-CG2 3.96Å; L219-T222 PolarHBondContact O-N 2.76Å; L219-S223 PolarHBondContact O-N 2.94Å |
| 220 | Q | 55.1 | Low | 68.6 | Low | 63 Ų | 63 | 97.8 Ų | 97.8 | 29% | 0.294 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -50.4 | -29.5 | -179.3 | -52.6 | 132.9 | -28.7 | 0 | 0 | 113.1 | E174 R218 | E174-Q220 VanDerWaalsContact CD-NE2 3.32Å; E174-Q220 PolarHBondContact OE2-NE2 3.27Å; E174-Q220 PolarHBondContact OE2-OE1 2.96Å; R218-Q220 VanDerWaalsContact C-N 3.34Å; R218-Q220 PolarHBondContact O-N 3.31Å |
| 221 | T | 55 | Low | 69.1 | Low | 43 Ų | 43 | 94.8 Ų | 94.8 | 26% | 0.264 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -97.2 | -22.6 | -177.9 | -67.9 | 0 | 0 | 0 | 0 | 113.3 | L219 R225 | L219-T221 PolarHBondContact O-N 3.39Å; T221-R225 VanDerWaalsContact CG2-NE 3.31Å; T221-R225 VanDerWaalsContact CG2-NH2 3.32Å; T221-R225 WeakPolarHBondContact O-CD 3.37Å; T221-R225 WeakPolarHBondContact O-CG 3.46Å; T221-R225 PolarHBondContact O-NE 2.85Å |
| 222 | T | 55.9 | Low | 69.8 | Low | 90 Ų | 90 | 93 Ų | 93 | 55% | 0.552 | 49% | 0.491 | S | S | * | . | H | α-helix | trans | -88 | -28.7 | -178.4 | -153.5 | 0 | 0 | 0 | 0 | 113.4 | L219 R225 | L219-T222 HydrophobicContact CD2-CG2 3.96Å; L219-T222 PolarHBondContact O-N 2.76Å; T222-R225 PolarHBondContact O-N 3.22Å |
| 223 | S | 56.4 | Low | 70.5 | Confident | 93 Ų | 93 | 89.9 Ų | 89.9 | 65% | 0.65 | 48% | 0.475 | S | S | * | . | H | α-helix | trans | -66.4 | -51.6 | 176.6 | 170.5 | 0 | 0 | 0 | 0 | 111 | L219 R225 A226 | L219-S223 PolarHBondContact O-N 2.94Å; S223-R225 PolarHBondContact O-N 2.93Å; S223-A226 PolarHBondContact O-N 3.38Å |
| 224 | R | 58.8 | Low | 71.6 | Confident | 194 Ų | 194 | 87.4 Ų | 87.4 | 73% | 0.732 | 46% | 0.459 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -69.3 | 20.3 | 172.4 | -48.2 | -170.5 | -146.8 | -141.3 | 0.8 | 114.3 | E171 | E171-R224 IonicContact OE1-NH2 2.87Š|
| 225 | R | 64.4 | Low | 72.7 | Confident | 76 Ų | 76 | 79.8 Ų | 79.8 | 29% | 0.287 | 43% | 0.428 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -124.7 | 2.3 | 176.9 | -78.4 | 178.8 | -173.1 | -165.4 | 1.8 | 114.3 | T221 T222 S223 G227 L228 W241 | T221-R225 VanDerWaalsContact CG2-NE 3.31Å; T221-R225 VanDerWaalsContact CG2-NH2 3.32Å; T221-R225 WeakPolarHBondContact O-CD 3.37Å; T221-R225 WeakPolarHBondContact O-CG 3.46Å; T221-R225 PolarHBondContact O-NE 2.85Å; T222-R225 PolarHBondContact O-N 3.22Å; S223-R225 PolarHBondContact O-N 2.93Å; R225-G227 PolarHBondContact O-N 3.01Å; R225-L228 HydrophobicContact CB-CD1 4.41Å; R225-L228 HydrophobicContact CG-CD1 4.37Å; R225-L228 PolarHBondContact O-N 2.78Å; R225-W241 VanDerWaalsContact CZ-CD1 3.5Å |
| 226 | A | 66.5 | Low | 74.4 | Confident | 90 Ų | 90 | 77.1 Ų | 77.1 | 74% | 0.744 | 41% | 0.411 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -54.4 | 132.8 | 166.2 | 0 | 0 | 0 | 0 | 0 | 109.8 | S223 L228 | S223-A226 PolarHBondContact O-N 3.38Å; A226-L228 PolarHBondContact O-N 2.96Å |
| 227 | G | 81 | Confident | 75.9 | Confident | 64 Ų | 64 | 76.7 Ų | 76.7 | 66% | 0.66 | 42% | 0.415 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 84.1 | -9.9 | 179.2 | 0 | 0 | 0 | 0 | 0 | 117.1 | R225 C229 | R225-G227 PolarHBondContact O-N 3.01Å; G227-C229 PolarHBondContact O-N 3.32Å |
| 228 | L | 89.8 | Confident | 77.7 | Confident | 61 Ų | 61 | 69.4 Ų | 69.4 | 32% | 0.319 | 39% | 0.385 | S | S | . | . | | | trans | -77.8 | 124.1 | 173.6 | -77.9 | 103.5 | 0 | 0 | 0 | 111.6 | R225 A226 S236 W241 P249 | R225-L228 HydrophobicContact CB-CD1 4.41Å; R225-L228 HydrophobicContact CG-CD1 4.37Å; R225-L228 PolarHBondContact O-N 2.78Å; A226-L228 PolarHBondContact O-N 2.96Å; L228-S236 WeakPolarHBondContact O-CA 3.11Å; L228-W241 HydrophobicContact CB-CH2 4.33Å; L228-W241 HydrophobicContact CB-CZ2 3.66Å; L228-W241 WeakPolarHBondContact O-CH2 3.44Å; L228-W241 VanDerWaalsContact O-CZ2 3.25Å; L228-W241 WeakPolarHBondContact O-CZ2 3.46Å; L228-P249 HydrophobicContact CD2-CB 4.06Å |
| 229 | C | 94 | Very high | 79.3 | Confident | 33 Ų | 33 | 66.7 Ų | 66.7 | 22% | 0.223 | 39% | 0.386 | C | S | . | . | | | trans | -118.1 | 160.7 | 171.2 | 67.7 | 0 | 0 | 0 | 0 | 110.7 | C50 G227 | C50-C229 HydrophobicContact CB-CB 4.23Å; G227-C229 PolarHBondContact O-N 3.32Å |
| 230 | C | 95.8 | Very high | 81.2 | Confident | 0 Ų | 0 | 65.4 Ų | 65.4 | 0% | 0 | 38% | 0.38 | C | S | . | . | | | trans | -85.5 | 122.3 | 174.9 | 179 | 0 | 0 | 0 | 0 | 110.5 | N232 C233 H234 T235 W241 P249 C251 | C230-N232 VanDerWaalsContact C-N 3.26Å; C230-N232 PolarHBondContact O-N 2.94Å; C230-C233 PolarHBondContact O-N 2.89Å; C230-H234 WeakPolarHBondContact O-CA 3.21Å; C230-H234 PolarHBondContact O-N 3.44Å; C230-T235 PolarHBondContact N-O 3.41Å; C230-W241 HydrophobicContact CB-CZ3 4.04Å; C230-P249 WeakPolarHBondContact CA-O 3.32Å; C230-C251 HydrophobicContact CB-CB 3.97Å; C230-C251 PolarHBondContact SG-N 3.23Å |
| 231 | T | 96.2 | Very high | 83.1 | Confident | 47 Ų | 47 | 64.1 Ų | 64.1 | 29% | 0.288 | 37% | 0.372 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -59.9 | -33.8 | -177.9 | 59.1 | 0 | 0 | 0 | 0 | 113.6 | H234 E248 P249 | T231-H234 PolarHBondContact O-CE1 3.31Å; T231-H234 VanDerWaalsContact O-CE1 3.23Å; T231-E248 WeakPolarHBondContact CB-OE2 3.39Å; T231-E248 HydrophobicContact CG2-CB 3.8Å; T231-E248 HydrophobicContact CG2-CG 4.35Å; T231-E248 WeakPolarHBondContact CG2-OE2 3.39Å; T231-E248 PolarHBondContact OG1-OE2 2.89Å; T231-P249 PolarHBondContact N-O 3.44Å; T231-P249 VanDerWaalsContact N-O 3.07Å |
| 232 | N | 95.6 | Very high | 85 | Confident | 44 Ų | 44 | 66.4 Ų | 66.4 | 24% | 0.235 | 38% | 0.376 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -83.6 | -17.8 | 179.2 | 166.1 | -110.2 | 0 | 0 | 0 | 115.8 | C230 C254 | C230-N232 VanDerWaalsContact C-N 3.26Å; C230-N232 PolarHBondContact O-N 2.94Å; N232-C254 HydrophobicContact CB-CB 4.37Å; N232-C254 VanDerWaalsContact OD1-CB 3.32Å; N232-C254 WeakPolarHBondContact OD1-CB 3.49Å; N232-C254 PolarHBondContact OD1-SG 3.4Å |
| 233 | C | 95.1 | Very high | 86.9 | Confident | 3 Ų | 3 | 71.4 Ų | 71.4 | 2% | 0.02 | 39% | 0.385 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -147.1 | 4.7 | -175.3 | 79.1 | 0 | 0 | 0 | 0 | 116.3 | C230 T235 L267 K270 | C230-C233 PolarHBondContact O-N 2.89Å; C233-T235 PolarHBondContact O-N 3.28Å; C233-T235 PolarHBondContact O-OG1 3.11Å; C233-T235 PolarHBondContact SG-OG1 2.99Å; C233-L267 HydrophobicContact CB-CD2 4.03Å; C233-K270 PolarHBondContact O-NZ 3.21Å; C233-K270 VanDerWaalsContact O-NZ 3.13Å |
| 234 | H | 94.3 | Very high | 88.7 | Confident | 118 Ų | 118 | 69.1 Ų | 69.1 | 55% | 0.546 | 37% | 0.365 | S | S | . | . | | | trans | 54.4 | 2.8 | 178.8 | -45.9 | -55.3 | 0 | 0 | 0 | 117 | C230 T231 S236 | C230-H234 WeakPolarHBondContact O-CA 3.21Å; C230-H234 PolarHBondContact O-N 3.44Å; T231-H234 PolarHBondContact O-CE1 3.31Å; T231-H234 VanDerWaalsContact O-CE1 3.23Å; H234-S236 PolarHBondContact O-N 3.23Å |
| 235 | T | 93.1 | Very high | 90.3 | Very high | 17 Ų | 17 | 64.7 Ų | 64.7 | 10% | 0.104 | 37% | 0.37 | C | S | . | . | | | trans | -61.3 | 121.2 | 174.4 | -49.5 | 0 | 0 | 0 | 0 | 110.6 | C230 C233 T237 W241 | C230-T235 PolarHBondContact N-O 3.41Å; C233-T235 PolarHBondContact O-N 3.28Å; C233-T235 PolarHBondContact O-OG1 3.11Å; C233-T235 PolarHBondContact SG-OG1 2.99Å; T235-T237 VanDerWaalsContact CG2-O 3.27Å; T235-T237 WeakPolarHBondContact CG2-O 3.28Å; T235-W241 WeakPolarHBondContact O-CH2 3.31Å |
| 236 | S | 92.6 | Very high | 91.7 | Very high | 59 Ų | 59 | 67.8 Ų | 67.8 | 41% | 0.413 | 39% | 0.388 | S | S | . | . | | | trans | -82.5 | -17.6 | 176.8 | 54.3 | 0 | 0 | 0 | 0 | 113.9 | L228 H234 W241 | L228-S236 WeakPolarHBondContact O-CA 3.11Å; H234-S236 PolarHBondContact O-N 3.23Å; S236-W241 WeakPolarHBondContact O-CZ2 3.47Å |
| 237 | T | 90.8 | Very high | 93 | Very high | 74 Ų | 74 | 64.7 Ų | 64.7 | 45% | 0.454 | 37% | 0.365 | S | S | . | . | | | trans | -102.6 | 126.4 | 178.4 | 63.8 | 0 | 0 | 0 | 0 | 111.5 | T235 | T235-T237 VanDerWaalsContact CG2-O 3.27Å; T235-T237 WeakPolarHBondContact CG2-O 3.28Å |
| 238 | T | 92.4 | Very high | 93.6 | Very high | 26 Ų | 26 | 65.6 Ų | 65.6 | 16% | 0.16 | 35% | 0.352 | C | S | . | . | | | trans | -153.3 | 152.1 | 173.9 | -162.4 | 0 | 0 | 0 | 0 | 112.9 | L240 W241 C251 N252 | T238-L240 VanDerWaalsContact C-N 3.31Å; T238-L240 WeakPolarHBondContact CG2-O 3.39Å; T238-W241 HydrophobicContact CG2-CD2 3.45Å; T238-W241 VanDerWaalsContact CG2-CD2 3.45Å; T238-W241 HydrophobicContact CG2-CE3 3.69Å; T238-W241 HydrophobicContact CG2-CG 3.89Å; T238-W241 HydrophobicContact CG2-CH2 4.24Å; T238-W241 HydrophobicContact CG2-CZ2 4.05Å; T238-W241 HydrophobicContact CG2-CZ3 4.08Å; T238-C251 HydrophobicContact CG2-CB 4.32Å; T238-N252 PolarHBondContact OG1-N 3.46Å |
| 239 | T | 90.6 | Very high | 93.9 | Very high | 102 Ų | 102 | 64.7 Ų | 64.7 | 63% | 0.626 | 35% | 0.35 | S | S | * | . | S | Bend | trans | -71.2 | -26.5 | 178 | 52.4 | 0 | 0 | 0 | 0 | 112.9 | I274 | T239-I274 HydrophobicContact CG2-CG2 3.77Š|
| 240 | L | 91.8 | Very high | 94 | Very high | 77 Ų | 77 | 63.5 Ų | 63.5 | 40% | 0.403 | 34% | 0.341 | S | S | . | . | S | Bend | trans | -154.8 | 123 | 176.1 | 173.3 | 63.1 | 0 | 0 | 0 | 109.1 | T238 R242 N252 | T238-L240 VanDerWaalsContact C-N 3.31Å; T238-L240 WeakPolarHBondContact CG2-O 3.39Å; L240-R242 HydrophobicContact CG-CG 4.46Å; L240-N252 HydrophobicContact CB-CB 4.08Å; L240-N252 WeakPolarHBondContact O-CA 3.06Å; L240-N252 VanDerWaalsContact O-CB 3.31Å; L240-N252 WeakPolarHBondContact O-CB 3.12Å; L240-N252 PolarHBondContact O-N 3.46Å |
| 241 | W | 94.4 | Very high | 94 | Very high | 35 Ų | 35 | 63.8 Ų | 63.8 | 13% | 0.133 | 34% | 0.344 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.5 | 140.6 | 165.1 | -71.9 | 125.2 | 0 | 0 | 0 | 109.4 | R225 L228 C230 T235 S236 T238 P249 C251 | R225-W241 VanDerWaalsContact CZ-CD1 3.5Å; L228-W241 HydrophobicContact CB-CH2 4.33Å; L228-W241 HydrophobicContact CB-CZ2 3.66Å; L228-W241 WeakPolarHBondContact O-CH2 3.44Å; L228-W241 VanDerWaalsContact O-CZ2 3.25Å; L228-W241 WeakPolarHBondContact O-CZ2 3.46Å; C230-W241 HydrophobicContact CB-CZ3 4.04Å; T235-W241 WeakPolarHBondContact O-CH2 3.31Å; S236-W241 WeakPolarHBondContact O-CZ2 3.47Å; T238-W241 HydrophobicContact CG2-CD2 3.45Å; T238-W241 VanDerWaalsContact CG2-CD2 3.45Å; T238-W241 HydrophobicContact CG2-CE3 3.69Å; T238-W241 HydrophobicContact CG2-CG 3.89Å; T238-W241 HydrophobicContact CG2-CH2 4.24Å; T238-W241 HydrophobicContact CG2-CZ2 4.05Å; T238-W241 HydrophobicContact CG2-CZ3 4.08Å; W241-P249 HydrophobicContact CE3-CB 4.38Å; W241-C251 HydrophobicContact CZ3-CB 4.32Å |
| 242 | R | 95.3 | Very high | 94.1 | Very high | 91 Ų | 91 | 63.2 Ų | 63.2 | 34% | 0.343 | 34% | 0.338 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.5 | 172.8 | 171.7 | -65.4 | -179.6 | 176.2 | -81.9 | -5.1 | 108.4 | L240 V250 N252 | L240-R242 HydrophobicContact CG-CG 4.46Å; R242-V250 HydrophobicContact CB-CG2 3.89Å; R242-V250 PolarHBondContact N-O 2.96Å; R242-V250 PolarHBondContact O-N 3.38Å; R242-N252 PolarHBondContact NE-OD1 3.06Å; R242-N252 PolarHBondContact NH2-OD1 3.11Å |
| 243 | R | 95.6 | Very high | 94.1 | Very high | 195 Ų | 195 | 63 Ų | 63 | 74% | 0.736 | 34% | 0.343 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -109.7 | 150 | 163.5 | -63.3 | -179.4 | -174.1 | -96 | 9.1 | 110 | G247 E248 | R243-G247 VanDerWaalsContact CD-O 3.24Å; R243-G247 WeakPolarHBondContact CD-O 3.46Å; R243-G247 WeakPolarHBondContact CG-O 3.42Å; R243-G247 PolarHBondContact NH1-O 3.05Å; R243-E248 WeakPolarHBondContact CA-O 3.49Å |
| 244 | N | 94.1 | Very high | 94.2 | Very high | 46 Ų | 46 | 63 Ų | 63 | 25% | 0.246 | 34% | 0.343 | C | S | . | . | | | trans | -80 | -171.3 | 162.9 | 58 | -4.6 | 0 | 0 | 0 | 110.1 | E246 G247 E248 V250 | N244-E246 WeakPolarHBondContact CB-OE2 3.46Å; N244-E246 PolarHBondContact ND2-OE2 2.9Å; N244-E246 PolarHBondContact O-N 3.37Å; N244-E246 PolarHBondContact OD1-OE2 3.07Å; N244-G247 PolarHBondContact O-N 3.28Å; N244-G247 PolarHBondContact OD1-N 3.44Å; N244-G247 VanDerWaalsContact OD1-N 3.12Å; N244-E248 PolarHBondContact N-O 3.19Å; N244-E248 PolarHBondContact ND2-OE2 3.31Å; N244-E248 WeakPolarHBondContact OD1-CA 3.4Å; N244-E248 VanDerWaalsContact OD1-CB 3.28Å; N244-E248 WeakPolarHBondContact OD1-CB 3.25Å; N244-E248 PolarHBondContact OD1-N 3.15Å; N244-E248 PolarHBondContact OD1-O 3.26Å; N244-V250 HydrophobicContact CB-CG1 4.11Å |
| 245 | A | 93.9 | Very high | 94.3 | Very high | 101 Ų | 101 | 58.3 Ų | 58.3 | 84% | 0.835 | 33% | 0.326 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -69 | -28.1 | 179.8 | 0 | 0 | 0 | 0 | 0 | 111.5 | G247 | A245-G247 VanDerWaalsContact C-N 3.26Å; A245-G247 PolarHBondContact O-N 3.11Å |
| 246 | E | 93.3 | Very high | 94.5 | Very high | 140 Ų | 140 | 61.5 Ų | 61.5 | 65% | 0.654 | 34% | 0.342 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -78 | -9.2 | 179.3 | -54.4 | 69.2 | -152.3 | 0 | 0 | 112.2 | N244 E248 | N244-E246 WeakPolarHBondContact CB-OE2 3.46Å; N244-E246 PolarHBondContact ND2-OE2 2.9Å; N244-E246 PolarHBondContact O-N 3.37Å; N244-E246 PolarHBondContact OD1-OE2 3.07Å; E246-E248 HydrophobicContact CB-CG 4.17Å |
| 247 | G | 93.7 | Very high | 94.7 | Very high | 26 Ų | 26 | 61 Ų | 61 | 27% | 0.268 | 33% | 0.332 | S | S | . | . | | | trans | 87.6 | -5 | 176.9 | 0 | 0 | 0 | 0 | 0 | 115.6 | R243 N244 A245 | R243-G247 VanDerWaalsContact CD-O 3.24Å; R243-G247 WeakPolarHBondContact CD-O 3.46Å; R243-G247 WeakPolarHBondContact CG-O 3.42Å; R243-G247 PolarHBondContact NH1-O 3.05Å; N244-G247 PolarHBondContact O-N 3.28Å; N244-G247 PolarHBondContact OD1-N 3.44Å; N244-G247 VanDerWaalsContact OD1-N 3.12Å; A245-G247 VanDerWaalsContact C-N 3.26Å; A245-G247 PolarHBondContact O-N 3.11Å |
| 248 | E | 94.1 | Very high | 95 | Very high | 83 Ų | 83 | 61.8 Ų | 61.8 | 39% | 0.388 | 33% | 0.331 | S | S | . | . | | | trans | -67.3 | 156.2 | 179.7 | -48.4 | -177.5 | 125.6 | 0 | 0 | 113.9 | T231 R243 N244 E246 V250 | T231-E248 WeakPolarHBondContact CB-OE2 3.39Å; T231-E248 HydrophobicContact CG2-CB 3.8Å; T231-E248 HydrophobicContact CG2-CG 4.35Å; T231-E248 WeakPolarHBondContact CG2-OE2 3.39Å; T231-E248 PolarHBondContact OG1-OE2 2.89Å; R243-E248 WeakPolarHBondContact CA-O 3.49Å; N244-E248 PolarHBondContact N-O 3.19Å; N244-E248 PolarHBondContact ND2-OE2 3.31Å; N244-E248 WeakPolarHBondContact OD1-CA 3.4Å; N244-E248 VanDerWaalsContact OD1-CB 3.28Å; N244-E248 WeakPolarHBondContact OD1-CB 3.25Å; N244-E248 PolarHBondContact OD1-N 3.15Å; N244-E248 PolarHBondContact OD1-O 3.26Å; E246-E248 HydrophobicContact CB-CG 4.17Å; E248-V250 PolarHBondContact O-N 3.21Å |
| 249 | P | 95.4 | Very high | 95.2 | Very high | 42 Ų | 42 | 69.7 Ų | 69.7 | 27% | 0.273 | 36% | 0.363 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.3 | 121.4 | 175.8 | 29.3 | -34.9 | 0 | 0 | 0 | 113.3 | L228 C230 T231 W241 | L228-P249 HydrophobicContact CD2-CB 4.06Å; C230-P249 WeakPolarHBondContact CA-O 3.32Å; T231-P249 PolarHBondContact N-O 3.44Å; T231-P249 VanDerWaalsContact N-O 3.07Å; W241-P249 HydrophobicContact CE3-CB 4.38Å |
| 250 | V | 96.3 | Very high | 95.5 | Very high | 7 Ų | 7 | 71.2 Ų | 71.2 | 4% | 0.042 | 37% | 0.367 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.4 | 145.9 | 171.2 | -58 | 0 | 0 | 0 | 0 | 112 | R242 N244 E248 | R242-V250 HydrophobicContact CB-CG2 3.89Å; R242-V250 PolarHBondContact N-O 2.96Å; R242-V250 PolarHBondContact O-N 3.38Å; N244-V250 HydrophobicContact CB-CG1 4.11Å; E248-V250 PolarHBondContact O-N 3.21Å |
| 251 | C | 96.5 | Very high | 95.7 | Very high | 7 Ų | 7 | 72.4 Ų | 72.4 | 5% | 0.047 | 37% | 0.37 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -71 | 156.6 | 179.4 | 91.9 | 0 | 0 | 0 | 0 | 111.3 | C230 T238 W241 A253 C254 G255 | C230-C251 HydrophobicContact CB-CB 3.97Å; C230-C251 PolarHBondContact SG-N 3.23Å; T238-C251 HydrophobicContact CG2-CB 4.32Å; W241-C251 HydrophobicContact CZ3-CB 4.32Å; C251-A253 PolarHBondContact O-N 2.99Å; C251-A253 VanDerWaalsContact O-N 3.11Å; C251-C254 PolarHBondContact O-N 3.37Å; C251-C254 VanDerWaalsContact O-N 3.15Å; C251-C254 PolarHBondContact SG-SG 2.92Å; C251-G255 PolarHBondContact O-N 3.12Å |
| 252 | N | 96.8 | Very high | 95.8 | Very high | 34 Ų | 34 | 73.8 Ų | 73.8 | 18% | 0.182 | 40% | 0.395 | C | S | . | . | H | α-helix | trans | -54.1 | -36.8 | -176.9 | -176.9 | 63.4 | 0 | 0 | 0 | 113.7 | T238 L240 R242 L256 | T238-N252 PolarHBondContact OG1-N 3.46Å; L240-N252 HydrophobicContact CB-CB 4.08Å; L240-N252 WeakPolarHBondContact O-CA 3.06Å; L240-N252 VanDerWaalsContact O-CB 3.31Å; L240-N252 WeakPolarHBondContact O-CB 3.12Å; L240-N252 PolarHBondContact O-N 3.46Å; R242-N252 PolarHBondContact NE-OD1 3.06Å; R242-N252 PolarHBondContact NH2-OD1 3.11Å; N252-L256 WeakPolarHBondContact ND2-CD1 3.39Å; N252-L256 VanDerWaalsContact O-CB 3.32Å; N252-L256 WeakPolarHBondContact O-CB 3.34Å; N252-L256 WeakPolarHBondContact O-CD1 3.33Å; N252-L256 WeakPolarHBondContact O-CG 3.32Å; N252-L256 PolarHBondContact O-N 2.86Å; N252-L256 VanDerWaalsContact O-N 3.12Å |
| 253 | A | 96.3 | Very high | 95.8 | Very high | 40 Ų | 40 | 73 Ų | 73 | 33% | 0.331 | 40% | 0.4 | S | S | . | . | H | α-helix | trans | -71.8 | -41.2 | -178.3 | 0 | 0 | 0 | 0 | 0 | 112.3 | C251 Y257 | C251-A253 PolarHBondContact O-N 2.99Å; C251-A253 VanDerWaalsContact O-N 3.11Å; A253-Y257 WeakPolarHBondContact O-CB 3.19Å; A253-Y257 PolarHBondContact O-N 3.39Å |
| 254 | C | 96.8 | Very high | 95.8 | Very high | 4 Ų | 4 | 67.5 Ų | 67.5 | 3% | 0.027 | 39% | 0.39 | C | S | . | . | H | α-helix | trans | -69.5 | -45.2 | 178.6 | -59.8 | 0 | 0 | 0 | 0 | 111.4 | N232 C251 L256 Y257 M258 R265 | N232-C254 HydrophobicContact CB-CB 4.37Å; N232-C254 VanDerWaalsContact OD1-CB 3.32Å; N232-C254 WeakPolarHBondContact OD1-CB 3.49Å; N232-C254 PolarHBondContact OD1-SG 3.4Å; C251-C254 PolarHBondContact O-N 3.37Å; C251-C254 VanDerWaalsContact O-N 3.15Å; C251-C254 PolarHBondContact SG-SG 2.92Å; C254-L256 VanDerWaalsContact C-N 3.31Å; C254-L256 PolarHBondContact O-N 3.38Å; C254-Y257 PolarHBondContact O-N 3.4Å; C254-M258 PolarHBondContact O-N 3.44Å; C254-R265 HydrophobicContact CB-CB 4.48Å |
| 255 | G | 96.6 | Very high | 95.9 | Very high | 18 Ų | 18 | 67.5 Ų | 67.5 | 19% | 0.186 | 39% | 0.386 | C | S | . | . | H | α-helix | trans | -66.7 | -27.3 | 177.1 | 0 | 0 | 0 | 0 | 0 | 114.3 | C251 K259 | C251-G255 PolarHBondContact O-N 3.12Å; G255-K259 WeakPolarHBondContact O-CB 3.32Å; G255-K259 PolarHBondContact O-N 2.83Å |
| 256 | L | 96.4 | Very high | 95.9 | Very high | 84 Ų | 84 | 65.2 Ų | 65.2 | 44% | 0.44 | 36% | 0.363 | S | S | . | . | H | α-helix | trans | -77.4 | -38.3 | 171.2 | -74.7 | 173.9 | 0 | 0 | 0 | 112.4 | N252 C254 K259 L260 | N252-L256 WeakPolarHBondContact ND2-CD1 3.39Å; N252-L256 VanDerWaalsContact O-CB 3.32Å; N252-L256 WeakPolarHBondContact O-CB 3.34Å; N252-L256 WeakPolarHBondContact O-CD1 3.33Å; N252-L256 WeakPolarHBondContact O-CG 3.32Å; N252-L256 PolarHBondContact O-N 2.86Å; N252-L256 VanDerWaalsContact O-N 3.12Å; C254-L256 VanDerWaalsContact C-N 3.31Å; C254-L256 PolarHBondContact O-N 3.38Å; L256-K259 PolarHBondContact O-N 2.85Å; L256-L260 WeakPolarHBondContact O-CB 3.47Å; L256-L260 PolarHBondContact O-N 3.22Å; L256-L260 VanDerWaalsContact O-N 3.11Å |
| 257 | Y | 97.4 | Very high | 95.9 | Very high | 50 Ų | 50 | 63.8 Ų | 63.8 | 20% | 0.196 | 36% | 0.36 | C | S | . | . | H | α-helix | trans | -64.6 | -48.9 | 178.1 | -172.9 | -85.8 | 0 | 0 | 0 | 111.3 | A253 C254 K259 L260 H261 V263 P264 R265 P266 M269 | A253-Y257 WeakPolarHBondContact O-CB 3.19Å; A253-Y257 PolarHBondContact O-N 3.39Å; C254-Y257 PolarHBondContact O-N 3.4Å; Y257-K259 VanDerWaalsContact C-N 3.29Å; Y257-K259 PolarHBondContact O-N 3.23Å; Y257-L260 PolarHBondContact O-N 3.2Å; Y257-H261 AromaticContact CD2-CD2 3.46Å; Y257-H261 VanDerWaalsContact CD2-CD2 3.46Å; Y257-H261 WeakPolarHBondContact CD2-CD2 3.2Å; Y257-H261 AromaticContact CD2-NE2 3.89Å; Y257-H261 HydrophobicContact CE1-CB 4.25Å; Y257-H261 AromaticContact CE2-CD2 3.44Å; Y257-H261 VanDerWaalsContact CE2-CD2 3.44Å; Y257-H261 WeakPolarHBondContact CE2-CD2 3.27Å; Y257-H261 AromaticContact CE2-NE2 3.78Å; Y257-H261 AromaticContact CG-CD2 3.78Å; Y257-H261 AromaticContact CZ-CD2 3.75Å; Y257-H261 PolarHBondContact O-CD2 2.99Å; Y257-H261 PolarHBondContact O-N 2.86Å; Y257-V263 WeakPolarHBondContact CD1-O 3.49Å; Y257-V263 HydrophobicContact CE1-CG2 4.05Å; Y257-P264 WeakPolarHBondContact CE1-O 3.44Å; Y257-R265 HydrophobicContact CD1-CB 3.72Å; Y257-R265 HydrophobicContact CD1-CG 4.23Å; Y257-R265 HydrophobicContact CD2-CG 4.22Å; Y257-R265 HydrophobicContact CE1-CB 4.32Å; Y257-R265 HydrophobicContact CG-CB 3.85Å; Y257-R265 HydrophobicContact CG-CG 3.96Å; Y257-P266 WeakPolarHBondContact OH-CD 3.11Å; Y257-M269 HydrophobicContact CE2-CE 4.47Å; Y257-M269 HydrophobicContact CE2-SD 3.87Å |
| 258 | M | 96.8 | Very high | 95.8 | Very high | 90 Ų | 90 | 67.6 Ų | 67.6 | 44% | 0.443 | 39% | 0.388 | S | S | . | . | H | α-helix | trans | -55.8 | -43.3 | 175.2 | -175.5 | 66.6 | 89.3 | 0 | 0 | 111.6 | C254 L260 G262 P264 | C254-M258 PolarHBondContact O-N 3.44Å; M258-L260 VanDerWaalsContact C-N 3.31Å; M258-L260 PolarHBondContact O-N 3.42Å; M258-G262 WeakPolarHBondContact O-CA 3.45Å; M258-G262 PolarHBondContact O-N 3.23Å; M258-P264 HydrophobicContact CE-CB 4.08Å |
| 259 | K | 96.1 | Very high | 95.6 | Very high | 192 Ų | 192 | 68.8 Ų | 68.8 | 84% | 0.835 | 40% | 0.395 | S | S | * | . | H | α-helix | trans | -69.7 | -22.9 | 178.9 | -175.2 | 161.5 | -175 | 166.3 | 0 | 114.2 | G255 L256 Y257 | G255-K259 WeakPolarHBondContact O-CB 3.32Å; G255-K259 PolarHBondContact O-N 2.83Å; L256-K259 PolarHBondContact O-N 2.85Å; Y257-K259 VanDerWaalsContact C-N 3.29Å; Y257-K259 PolarHBondContact O-N 3.23Å |
| 260 | L | 97.1 | Very high | 95.4 | Very high | 133 Ų | 133 | 70.3 Ų | 70.3 | 70% | 0.696 | 40% | 0.397 | S | S | * | . | H | α-helix | trans | -93.7 | -31.6 | -179.8 | -176.5 | 59.7 | 0 | 0 | 0 | 113.1 | L256 Y257 M258 | L256-L260 WeakPolarHBondContact O-CB 3.47Å; L256-L260 PolarHBondContact O-N 3.22Å; L256-L260 VanDerWaalsContact O-N 3.11Å; Y257-L260 PolarHBondContact O-N 3.2Å; M258-L260 VanDerWaalsContact C-N 3.31Å; M258-L260 PolarHBondContact O-N 3.42Å |
| 261 | H | 96.7 | Very high | 95.1 | Very high | 102 Ų | 102 | 74.8 Ų | 74.8 | 47% | 0.472 | 42% | 0.417 | S | S | . | . | H | α-helix | trans | -117.7 | -10.2 | -171.4 | -58.6 | -70.6 | 0 | 0 | 0 | 114.5 | Y257 V263 | Y257-H261 AromaticContact CD2-CD2 3.46Å; Y257-H261 VanDerWaalsContact CD2-CD2 3.46Å; Y257-H261 WeakPolarHBondContact CD2-CD2 3.2Å; Y257-H261 AromaticContact CD2-NE2 3.89Å; Y257-H261 HydrophobicContact CE1-CB 4.25Å; Y257-H261 AromaticContact CE2-CD2 3.44Å; Y257-H261 VanDerWaalsContact CE2-CD2 3.44Å; Y257-H261 WeakPolarHBondContact CE2-CD2 3.27Å; Y257-H261 AromaticContact CE2-NE2 3.78Å; Y257-H261 AromaticContact CG-CD2 3.78Å; Y257-H261 AromaticContact CZ-CD2 3.75Å; Y257-H261 PolarHBondContact O-CD2 2.99Å; Y257-H261 PolarHBondContact O-N 2.86Å; H261-V263 HydrophobicContact CB-CG2 3.78Å; H261-V263 PolarHBondContact O-N 2.76Å |
| 262 | G | 95.9 | Very high | 94.4 | Very high | 64 Ų | 64 | 80.2 Ų | 80.2 | 66% | 0.66 | 44% | 0.441 | S | S | * | . | S | Bend | trans | 71.8 | 1.7 | -176.9 | 0 | 0 | 0 | 0 | 0 | 115.1 | M258 | M258-G262 WeakPolarHBondContact O-CA 3.45Å; M258-G262 PolarHBondContact O-N 3.23Å |
| 263 | V | 95.9 | Very high | 93.9 | Very high | 74 Ų | 74 | 82.2 Ų | 82.2 | 45% | 0.448 | 46% | 0.458 | S | S | . | . | S | Bend | trans | -127.2 | 152.5 | -175.5 | -72.3 | 0 | 0 | 0 | 0 | 112 | Y257 H261 | Y257-V263 WeakPolarHBondContact CD1-O 3.49Å; Y257-V263 HydrophobicContact CE1-CG2 4.05Å; H261-V263 HydrophobicContact CB-CG2 3.78Å; H261-V263 PolarHBondContact O-N 2.76Å |
| 264 | P | 94.5 | Very high | 93.4 | Very high | 80 Ų | 80 | 84.4 Ų | 84.4 | 52% | 0.519 | 46% | 0.463 | S | S | . | . | P | Polyproline II helix | trans | -61.3 | 148.2 | 176.9 | 25.5 | -34.9 | 0 | 0 | 0 | 111.9 | Y257 M258 P266 | Y257-P264 WeakPolarHBondContact CE1-O 3.44Å; M258-P264 HydrophobicContact CE-CB 4.08Å; P264-P266 WeakPolarHBondContact O-CD 3.46Å |
| 265 | R | 96.3 | Very high | 92.9 | Very high | 46 Ų | 46 | 90.6 Ų | 90.6 | 17% | 0.174 | 49% | 0.491 | C | S | . | . | P | Polyproline II helix | trans | -69.6 | 124.6 | -178.7 | -175.2 | -178.5 | 168.7 | -148.5 | 5.3 | 110.3 | C254 Y257 M269 | C254-R265 HydrophobicContact CB-CB 4.48Å; Y257-R265 HydrophobicContact CD1-CB 3.72Å; Y257-R265 HydrophobicContact CD1-CG 4.23Å; Y257-R265 HydrophobicContact CD2-CG 4.22Å; Y257-R265 HydrophobicContact CE1-CB 4.32Å; Y257-R265 HydrophobicContact CG-CB 3.85Å; Y257-R265 HydrophobicContact CG-CG 3.96Å; R265-M269 PolarHBondContact NH2-O 3.07Å |
| 266 | P | 95.1 | Very high | 92.3 | Very high | 54 Ų | 54 | 96.1 Ų | 96.1 | 35% | 0.351 | 52% | 0.522 | S | S | . | . | P | Polyproline II helix | trans | -67.7 | 138.1 | 178.7 | 26.9 | -34 | 0 | 0 | 0 | 110.8 | Y257 P264 A268 M269 | Y257-P266 WeakPolarHBondContact OH-CD 3.11Å; P264-P266 WeakPolarHBondContact O-CD 3.46Å; P266-A268 PolarHBondContact O-N 3.31Å; P266-M269 HydrophobicContact CG-CB 4.46Å; P266-M269 HydrophobicContact CG-CG 3.95Å; P266-M269 HydrophobicContact CG-SD 3.82Å; P266-M269 PolarHBondContact O-N 3.38Å |
| 267 | L | 92.8 | Very high | 91.6 | Very high | 110 Ų | 110 | 102.3 Ų | 102.3 | 58% | 0.576 | 54% | 0.539 | S | S | * | . | G | 310 helix | trans | -64.3 | -24.9 | -177 | -64.5 | 179.3 | 0 | 0 | 0 | 113 | C233 M269 K270 | C233-L267 HydrophobicContact CB-CD2 4.03Å; L267-M269 PolarHBondContact O-N 2.69Å; L267-M269 VanDerWaalsContact O-N 3.15Å; L267-K270 WeakPolarHBondContact O-CB 3.3Å; L267-K270 PolarHBondContact O-N 3.3Å |
| 268 | A | 92.2 | Very high | 90.7 | Very high | 105 Ų | 105 | 110.1 Ų | 110.1 | 87% | 0.868 | 57% | 0.574 | S | S | * | * | G | 310 helix | trans | -59.1 | -22.3 | 170.8 | 0 | 0 | 0 | 0 | 0 | 113.6 | P266 | P266-A268 PolarHBondContact O-N 3.31Š|
| 269 | M | 89.6 | Confident | 89.7 | Confident | 108 Ų | 108 | 116.9 Ų | 116.9 | 53% | 0.532 | 60% | 0.595 | S | S | . | * | G | 310 helix | trans | -92.5 | 1.6 | 172.9 | -63.5 | -177.2 | 82 | 0 | 0 | 113.3 | Y257 R265 P266 L267 | Y257-M269 HydrophobicContact CE2-CE 4.47Å; Y257-M269 HydrophobicContact CE2-SD 3.87Å; R265-M269 PolarHBondContact NH2-O 3.07Å; P266-M269 HydrophobicContact CG-CB 4.46Å; P266-M269 HydrophobicContact CG-CG 3.95Å; P266-M269 HydrophobicContact CG-SD 3.82Å; P266-M269 PolarHBondContact O-N 3.38Å; L267-M269 PolarHBondContact O-N 2.69Å; L267-M269 VanDerWaalsContact O-N 3.15Å |
| 270 | K | 90.1 | Very high | 88.7 | Confident | 74 Ų | 74 | 117 Ų | 117 | 32% | 0.322 | 60% | 0.595 | S | S | . | * | | | trans | -64.6 | 143.6 | 173.6 | -177.4 | 177.5 | 167.5 | 175.3 | 0 | 109 | C233 L267 E272 | C233-K270 PolarHBondContact O-NZ 3.21Å; C233-K270 VanDerWaalsContact O-NZ 3.13Å; L267-K270 WeakPolarHBondContact O-CB 3.3Å; L267-K270 PolarHBondContact O-N 3.3Å; K270-E272 VanDerWaalsContact CE-OE2 3.3Å; K270-E272 WeakPolarHBondContact CE-OE2 3.45Å; K270-E272 IonicContact NZ-OE2 3.54Å |
| 271 | K | 90.1 | Very high | 87.3 | Confident | 102 Ų | 102 | 116.2 Ų | 116.2 | 44% | 0.443 | 60% | 0.598 | S | S | . | * | | | trans | -132 | 134.5 | 170.3 | 179 | 168.8 | 176.8 | 148.3 | 0 | 108.5 | S273 Q275 | K271-S273 WeakPolarHBondContact CE-OG 3.18Å; K271-S273 WeakPolarHBondContact CG-O 3.5Å; K271-Q275 HydrophobicContact CD-CG 4.12Å |
| 272 | E | 82.3 | Confident | 85.8 | Confident | 120 Ų | 120 | 121.1 Ų | 121.1 | 56% | 0.561 | 62% | 0.618 | S | S | * | * | S | Bend | trans | -73.5 | -33.5 | -173.9 | -152.8 | 51 | -134.9 | 0 | 0 | 112.9 | K270 | K270-E272 VanDerWaalsContact CE-OE2 3.3Å; K270-E272 WeakPolarHBondContact CE-OE2 3.45Å; K270-E272 IonicContact NZ-OE2 3.54Å |
| 273 | S | 85.9 | Confident | 84.3 | Confident | 76 Ų | 76 | 125 Ų | 125 | 53% | 0.531 | 62% | 0.623 | S | S | . | * | S | Bend | trans | -101.4 | 130.4 | 177.1 | 53.7 | 0 | 0 | 0 | 0 | 113.4 | K271 Q275 | K271-S273 WeakPolarHBondContact CE-OG 3.18Å; K271-S273 WeakPolarHBondContact CG-O 3.5Å; S273-Q275 PolarHBondContact O-N 3.31Å; S273-Q275 VanDerWaalsContact O-N 3.13Å |
| 274 | I | 86.8 | Confident | 82.5 | Confident | 87 Ų | 87 | 125.7 Ų | 125.7 | 45% | 0.446 | 63% | 0.628 | S | S | . | * | | | trans | -65.9 | 110.6 | 174.7 | -60.2 | 178.8 | 0 | 0 | 0 | 109.5 | T239 T276 | T239-I274 HydrophobicContact CG2-CG2 3.77Å; I274-T276 PolarHBondContact O-N 3.13Å |
| 275 | Q | 86.8 | Confident | 80.3 | Confident | 133 Ų | 133 | 131.5 Ų | 131.5 | 62% | 0.621 | 65% | 0.645 | S | S | * | * | | | trans | -67.4 | 120.1 | 173.5 | -76.8 | 175.1 | -39.8 | 0 | 0 | 111.3 | K271 S273 | K271-Q275 HydrophobicContact CD-CG 4.12Å; S273-Q275 PolarHBondContact O-N 3.31Å; S273-Q275 VanDerWaalsContact O-N 3.13Å |
| 276 | T | 83.1 | Confident | 77.7 | Confident | 134 Ų | 134 | 135.6 Ų | 135.6 | 82% | 0.822 | 68% | 0.676 | S | S | * | * | | | trans | -76.8 | 149.4 | 164.8 | 58.7 | 0 | 0 | 0 | 0 | 109.8 | I274 | I274-T276 PolarHBondContact O-N 3.13Š|
| 277 | R | 81.5 | Confident | 75.3 | Confident | 214 Ų | 214 | 142.9 Ų | 142.9 | 81% | 0.808 | 70% | 0.702 | S | S | * | * | | | trans | -125.8 | 133.3 | 169.2 | -64.4 | -173 | -177 | -170.2 | 0.7 | 108 | R279 | R277-R279 PolarHBondContact O-N 3.46Š|
| 278 | K | 78.2 | Confident | 72.9 | Confident | 214 Ų | 214 | 142.1 Ų | 142.1 | 93% | 0.93 | 71% | 0.712 | S | S | * | * | | | trans | -66.9 | 90.8 | 179.1 | -171 | 175 | -177.6 | 177.3 | 0 | 109.7 | K280 | K278-K280 PolarHBondContact O-N 3.15Š|
| 279 | R | 76.1 | Confident | 70.8 | Confident | 232 Ų | 232 | 142.9 Ų | 142.9 | 88% | 0.875 | 71% | 0.71 | S | S | * | * | P | Polyproline II helix | trans | -63.1 | 126.8 | 176.1 | -71.5 | -179.1 | 170.3 | 179.4 | -3.8 | 108.8 | R277 | R277-R279 PolarHBondContact O-N 3.46Š|
| 280 | K | 75 | Confident | 68.5 | Low | 195 Ų | 195 | 144.1 Ų | 144.1 | 85% | 0.848 | 73% | 0.725 | S | S | * | * | P | Polyproline II helix | trans | -56.9 | 132.6 | 167.2 | -70.8 | -175.5 | 176.4 | -177.7 | 0 | 108.1 | K278 K282 | K278-K280 PolarHBondContact O-N 3.15Å; K280-K282 PolarHBondContact O-N 2.87Å |
| 281 | P | 68.7 | Low | 66.3 | Low | 117 Ų | 117 | 144.2 Ų | 144.2 | 76% | 0.76 | 75% | 0.746 | S | S | * | * | P | Polyproline II helix | trans | -55.4 | 136.9 | 174.7 | -25.8 | 34.9 | 0 | 0 | 0 | 110.8 | I283 | P281-I283 PolarHBondContact O-N 2.97Š|
| 282 | K | 65.3 | Low | 63.8 | Low | 204 Ų | 204 | 145.2 Ų | 145.2 | 89% | 0.887 | 77% | 0.766 | S | S | * | * | | | trans | -72.6 | 96 | 166.6 | -81.7 | -169.5 | 172.6 | -172.4 | 0 | 107.8 | K280 | K280-K282 PolarHBondContact O-N 2.87Š|
| 283 | I | 64.1 | Low | 62.2 | Low | 147 Ų | 147 | 146.9 Ų | 146.9 | 75% | 0.754 | 78% | 0.777 | S | S | * | * | | | trans | -57.5 | 125.7 | 165.4 | -57.9 | 172.6 | 0 | 0 | 0 | 106.8 | P281 K285 | P281-I283 PolarHBondContact O-N 2.97Å; I283-K285 PolarHBondContact O-N 3.23Å |
| 284 | P | 58.1 | Low | 60.1 | Low | 87 Ų | 87 | 150.1 Ų | 150.1 | 57% | 0.565 | 79% | 0.794 | S | S | * | * | | | trans | -66.3 | 117.9 | 175.1 | 27.2 | -32.2 | 0 | 0 | 0 | 108.6 | T286 | P284-T286 PolarHBondContact O-N 3.13Š|
| 285 | K | 49.4 | Very low | 58 | Low | 202 Ų | 202 | 150.7 Ų | 150.7 | 88% | 0.878 | 81% | 0.806 | S | S | * | * | | | trans | -67.5 | 104.1 | 164.2 | -78.2 | -167.3 | 173.8 | -169.7 | 0 | 107.4 | I283 K287 | I283-K285 PolarHBondContact O-N 3.23Å; K285-K287 PolarHBondContact O-N 3.37Å |
| 286 | T | 41.6 | Very low | 55.6 | Low | 132 Ų | 132 | 151.3 Ų | 151.3 | 81% | 0.81 | 81% | 0.813 | S | S | * | * | | | trans | -56.5 | 117.6 | 165.4 | 34.7 | 0 | 0 | 0 | 0 | 108.4 | P284 A288 | P284-T286 PolarHBondContact O-N 3.13Å; T286-A288 PolarHBondContact O-N 2.8Å |
| 287 | K | 44.7 | Very low | 53.4 | Low | 207 Ų | 207 | 151.1 Ų | 151.1 | 90% | 0.9 | 81% | 0.812 | S | S | * | * | | | trans | -74.9 | 93.2 | 169.7 | -75.6 | -168.8 | 175.3 | -171.7 | 0 | 107.9 | K285 S289 | K285-K287 PolarHBondContact O-N 3.37Å; K287-S289 PolarHBondContact O-N 3.3Å |
| 288 | A | 40.6 | Very low | 51.4 | Low | 95 Ų | 95 | 146 Ų | 146 | 79% | 0.785 | 81% | 0.81 | S | S | * | * | | | trans | -62 | 128.4 | 162.4 | 0 | 0 | 0 | 0 | 0 | 108.4 | T286 | T286-A288 PolarHBondContact O-N 2.8Š|
| 289 | S | 48.8 | Very low | 49.7 | Very low | 120 Ų | 120 | 141.1 Ų | 141.1 | 84% | 0.839 | 80% | 0.802 | S | S | * | * | | | trans | -93.9 | 101.6 | -177.3 | 53 | 0 | 0 | 0 | 0 | 110.8 | K287 | K287-S289 PolarHBondContact O-N 3.3Š|
| 290 | T | 40.9 | Very low | 49.1 | Very low | 135 Ų | 135 | 135.4 Ų | 135.4 | 83% | 0.828 | 80% | 0.795 | S | S | * | * | | | trans | -127.4 | 121.5 | 159.7 | -53 | 0 | 0 | 0 | 0 | 107.2 | | |
| 291 | G | 44 | Very low | 47.1 | Very low | 76 Ų | 76 | 131.7 Ų | 131.7 | 78% | 0.784 | 79% | 0.794 | S | S | * | * | | | trans | -82.4 | 146.1 | 173.9 | 0 | 0 | 0 | 0 | 0 | 110.9 | | |
| 292 | S | 38.9 | Very low | 45.6 | Very low | 122 Ų | 122 | 131.8 Ų | 131.8 | 85% | 0.853 | 80% | 0.797 | S | S | * | * | | | trans | -142.5 | 141.8 | 154.2 | -167.8 | 0 | 0 | 0 | 0 | 108.7 | | |
| 293 | I | 48.2 | Very low | 44.7 | Very low | 155 Ų | 155 | 130.1 Ų | 130.1 | 80% | 0.795 | 80% | 0.797 | S | S | * | * | | | trans | -93 | 139.4 | 179.2 | 45.9 | 172.1 | 0 | 0 | 0 | 110.1 | | |
| 294 | T | 42.5 | Very low | 43.2 | Very low | 144 Ų | 144 | 129 Ų | 129 | 88% | 0.883 | 80% | 0.802 | S | S | * | * | | | trans | 179 | 156.7 | 147.1 | 15.4 | 0 | 0 | 0 | 0 | 108.5 | | |
| 295 | S | 40.8 | Very low | 42.2 | Very low | 99 Ų | 99 | 131.4 Ų | 131.4 | 69% | 0.692 | 82% | 0.815 | S | S | * | * | | | trans | -119.4 | 159.6 | -159.3 | -40.4 | 0 | 0 | 0 | 0 | 114 | | |
| 296 | D | 36.3 | Very low | 41.7 | Very low | 146 Ų | 146 | 126 Ų | 126 | 78% | 0.781 | 80% | 0.803 | S | S | * | * | | | trans | 51.4 | 124 | 147.6 | -46.5 | -36 | 0 | 0 | 0 | 120.9 | | |
| 297 | T | 37.8 | Very low | 41.5 | Very low | 130 Ų | 130 | 128.1 Ų | 128.1 | 80% | 0.798 | 80% | 0.803 | S | S | * | * | | | | 161.2 | 139.2 | 113 | -68 | 0 | 0 | 0 | 0 | 113.7 | | |
| 298 | S | 39.9 | Very low | 41.2 | Very low | 108 Ų | 108 | 126.8 Ų | 126.8 | 76% | 0.755 | 80% | 0.8 | S | S | * | * | | | trans | 2 | 138.3 | 170.3 | 66.7 | 0 | 0 | 0 | 0 | 124.2 | | |
| 299 | S | 42.2 | Very low | 40.9 | Very low | 110 Ų | 110 | 126.4 Ų | 126.4 | 77% | 0.769 | 80% | 0.797 | S | S | * | * | | | trans | -77.6 | -176.8 | 149.8 | -29.6 | 0 | 0 | 0 | 0 | 111.8 | | |
| 300 | P | 62.7 | Low | 40.4 | Very low | 112 Ų | 112 | 125.6 Ų | 125.6 | 73% | 0.727 | 79% | 0.791 | S | S | * | * | | | cis | -136.2 | -169.6 | -6.7 | 41.1 | -22.4 | 0 | 0 | 0 | 115 | | |
| 301 | S | 34.2 | Very low | 40.1 | Very low | 118 Ų | 118 | 125.7 Ų | 125.7 | 83% | 0.825 | 79% | 0.792 | S | S | * | * | | | trans | 73.2 | 162.7 | 164.3 | -50.9 | 0 | 0 | 0 | 0 | 116.1 | | |
| 302 | S | 36.6 | Very low | 39.9 | Very low | 118 Ų | 118 | 129.9 Ų | 129.9 | 83% | 0.825 | 79% | 0.794 | S | S | * | * | | | cis | -143.6 | -173.4 | 2.9 | 60.3 | 0 | 0 | 0 | 0 | 112.7 | | |
| 303 | L | 46.3 | Very low | 39.8 | Very low | 170 Ų | 170 | 132.9 Ų | 132.9 | 89% | 0.89 | 79% | 0.792 | S | S | * | * | | | trans | -68.5 | 153.3 | 178.6 | -58.8 | 166.1 | 0 | 0 | 0 | 114.5 | | |
| 304 | S | 32.6 | Very low | 39.1 | Very low | 122 Ų | 122 | 130.5 Ų | 130.5 | 85% | 0.853 | 79% | 0.79 | S | S | * | * | | | trans | -154.4 | 152.7 | 149.2 | 60.2 | 0 | 0 | 0 | 0 | 111.7 | | |
| 305 | V | 38.2 | Very low | 38.8 | Very low | 138 Ų | 138 | 132.2 Ų | 132.2 | 84% | 0.836 | 79% | 0.787 | S | S | * | * | | | trans | -138 | 153.7 | -178.4 | 172.3 | 0 | 0 | 0 | 0 | 108.8 | | |
| 306 | S | 37 | Very low | 38.9 | Very low | 90 Ų | 90 | 133.4 Ų | 133.4 | 63% | 0.629 | 79% | 0.793 | S | S | * | * | | | trans | 122 | 118.4 | 172.6 | -174.8 | 0 | 0 | 0 | 0 | 110.5 | | |
| 307 | E | 39 | Very low | 38.5 | Very low | 176 Ų | 176 | 132.3 Ų | 132.3 | 82% | 0.822 | 80% | 0.797 | S | S | * | * | | | cis | 89.6 | 87.6 | 46.4 | -76.6 | -161.3 | 103.4 | 0 | 0 | 115.4 | | |
| 308 | H | 38.4 | Very low | 38.5 | Very low | 178 Ų | 178 | 134.7 Ų | 134.7 | 82% | 0.824 | 80% | 0.801 | S | S | * | * | | | trans | -177.6 | 151 | 150.8 | 39.8 | -84.8 | 0 | 0 | 0 | 108.3 | | |
| 309 | A | 34.3 | Very low | 38.4 | Very low | 88 Ų | 88 | 133.8 Ų | 133.8 | 73% | 0.727 | 80% | 0.8 | S | S | * | * | | | cis | -171.6 | 160.4 | -15.3 | 0 | 0 | 0 | 0 | 0 | 107.1 | | |
| 310 | S | 37.8 | Very low | 38.9 | Very low | 103 Ų | 103 | 134.5 Ų | 134.5 | 72% | 0.72 | 80% | 0.802 | S | S | * | * | | | cis | -171.2 | 179.1 | -18.4 | -88.5 | 0 | 0 | 0 | 0 | 107.7 | | |
| 311 | T | 33.8 | Very low | 37.5 | Very low | 136 Ų | 136 | 134.9 Ų | 134.9 | 83% | 0.834 | 81% | 0.807 | S | S | * | * | | | trans | 76.4 | 150.3 | 178 | -15.1 | 0 | 0 | 0 | 0 | 112 | | |
| 312 | I | 41.2 | Very low | 38.4 | Very low | 164 Ų | 164 | 134.7 Ų | 134.7 | 84% | 0.841 | 80% | 0.803 | S | S | * | * | | | cis | -136.2 | 163.9 | 27.4 | -47.8 | 160.5 | 0 | 0 | 0 | 112.8 | | |
| 313 | K | 35.1 | Very low | 38.3 | Very low | 185 Ų | 185 | 140.2 Ų | 140.2 | 80% | 0.804 | 81% | 0.808 | S | S | * | * | | | trans | -74.8 | 156.6 | -175.8 | -177.7 | -164.9 | 176.9 | -174.4 | 0 | 115.4 | | |
| 314 | S | 34.9 | Very low | 37.9 | Very low | 106 Ų | 106 | 136.2 Ų | 136.2 | 74% | 0.741 | 80% | 0.799 | S | S | * | * | | | trans | 127 | 148.4 | 142.7 | -49.2 | 0 | 0 | 0 | 0 | 117.1 | | |
| 315 | E | 36.4 | Very low | 38 | Very low | 179 Ų | 179 | 133.5 Ų | 133.5 | 84% | 0.836 | 79% | 0.79 | S | S | * | * | | | trans | -59.3 | 166.4 | -173.4 | -71.4 | -177.3 | 108.1 | 0 | 0 | 119 | | |
| 316 | P | 41.4 | Very low | 37.9 | Very low | 124 Ų | 124 | 136.4 Ų | 136.4 | 81% | 0.805 | 80% | 0.795 | S | S | * | * | | | trans | -85.9 | 137.3 | 153.1 | 35.9 | -29.8 | 0 | 0 | 0 | 112.5 | | |
| 317 | S | 29.2 | Very low | 37.7 | Very low | 124 Ų | 124 | 137.9 Ų | 137.9 | 87% | 0.867 | 80% | 0.8 | S | S | * | * | | | trans | -136.4 | 163.8 | 166.1 | -168.2 | 0 | 0 | 0 | 0 | 111 | | |
| 318 | M | 37.5 | Very low | 37.5 | Very low | 179 Ų | 179 | 136.9 Ų | 136.9 | 88% | 0.882 | 80% | 0.799 | S | S | * | * | | | trans | -104.3 | 175.7 | -161.8 | -67.9 | -155.4 | 77.6 | 0 | 0 | 115.3 | | |
| 319 | A | 37.8 | Very low | 37.5 | Very low | 90 Ų | 90 | 133.9 Ų | 133.9 | 74% | 0.744 | 79% | 0.793 | S | S | * | * | | | trans | 82.4 | 166.4 | 159.8 | 0 | 0 | 0 | 0 | 0 | 116.8 | | |
| 320 | P | 53.7 | Low | 37.5 | Very low | 125 Ų | 125 | 135.5 Ų | 135.5 | 81% | 0.812 | 80% | 0.799 | S | S | * | * | | | cis | -134.6 | 178.1 | -49.1 | 35.6 | -21.2 | 0 | 0 | 0 | 113.1 | | |
| 321 | S | 32.5 | Very low | 37.2 | Very low | 119 Ų | 119 | 134 Ų | 134 | 83% | 0.832 | 80% | 0.8 | S | S | * | * | | | trans | -155.6 | 143.9 | 160 | -165.9 | 0 | 0 | 0 | 0 | 112.5 | | |
| 322 | P | 53.3 | Low | 37.3 | Very low | 114 Ų | 114 | 132.2 Ų | 132.2 | 74% | 0.74 | 79% | 0.793 | S | S | * | * | | | trans | -120.7 | 153.5 | -169.4 | 40.8 | -29.9 | 0 | 0 | 0 | 116.5 | | |
| 323 | Y | 34.6 | Very low | 37 | Very low | 234 Ų | 234 | 132.8 Ų | 132.8 | 92% | 0.918 | 79% | 0.793 | S | S | * | * | | | trans | -160.9 | 167.8 | 131 | -143.5 | -107.2 | 0 | 0 | 0 | 112.6 | | |
| 324 | A | 36.5 | Very low | 36.7 | Very low | 86 Ų | 86 | 129.2 Ų | 129.2 | 71% | 0.711 | 79% | 0.786 | S | S | * | * | | | trans | -77.9 | 162.8 | -176.1 | 0 | 0 | 0 | 0 | 0 | 113.9 | | |
| 325 | G | 34.8 | Very low | 36.7 | Very low | 65 Ų | 65 | 128.9 Ų | 128.9 | 67% | 0.67 | 78% | 0.784 | S | S | * | * | | | cis | 140.6 | 155.8 | -3.9 | 0 | 0 | 0 | 0 | 0 | 113.1 | | |
| 326 | Q | 36.9 | Very low | 36.7 | Very low | 199 Ų | 199 | 125.1 Ų | 125.1 | 93% | 0.93 | 78% | 0.777 | S | S | * | * | | | trans | -165.4 | 154.6 | 160 | -118.6 | 165.7 | 90.2 | 0 | 0 | 114.4 | | |
| 327 | T | 33.9 | Very low | 36.3 | Very low | 122 Ų | 122 | 127.1 Ų | 127.1 | 75% | 0.748 | 78% | 0.776 | S | S | * | * | | | trans | -64.8 | 169.5 | -177.4 | 0.4 | 0 | 0 | 0 | 0 | 113.5 | | |
| 328 | I | 34.6 | Very low | 36.5 | Very low | 154 Ų | 154 | 127.7 Ų | 127.7 | 79% | 0.79 | 77% | 0.768 | S | S | * | * | | | cis | -144.8 | 140.1 | 33.8 | -62.8 | 172.9 | 0 | 0 | 0 | 113.8 | | |
| 329 | T | 37 | Very low | 36.2 | Very low | 115 Ų | 115 | 125.5 Ų | 125.5 | 71% | 0.706 | 76% | 0.761 | S | S | * | * | | | trans | -2.2 | 133.2 | 151.8 | -40.8 | 0 | 0 | 0 | 0 | 122.9 | | |
| 330 | S | 34.5 | Very low | 36 | Very low | 122 Ų | 122 | 125.4 Ų | 125.4 | 85% | 0.853 | 75% | 0.754 | S | S | * | * | | | | 157.8 | 135.7 | 124.2 | -68.7 | 0 | 0 | 0 | 0 | 111.9 | | |
| 331 | G | 31 | Very low | 35.1 | Very low | 71 Ų | 71 | 126.1 Ų | 126.1 | 73% | 0.732 | 76% | 0.757 | S | S | * | * | | | cis | 176.9 | 148.5 | -12.1 | 0 | 0 | 0 | 0 | 0 | 112.5 | | |
| 332 | S | 36.5 | Very low | 35.1 | Very low | 100 Ų | 100 | 125.4 Ų | 125.4 | 70% | 0.699 | 76% | 0.758 | S | S | * | * | | | trans | 44.1 | 113.3 | 155.8 | -68.7 | 0 | 0 | 0 | 0 | 121.2 | | |
| 333 | Q | 35.1 | Very low | 34.3 | Very low | 176 Ų | 176 | 126.3 Ų | 126.3 | 82% | 0.822 | 77% | 0.767 | S | S | * | * | | | | 79.8 | 145.6 | 86.1 | -78 | 179.4 | 99 | 0 | 0 | 114.4 | | |
| 334 | T | 29.8 | Very low | 34.2 | Very low | 110 Ų | 110 | 118.6 Ų | 118.6 | 68% | 0.675 | 76% | 0.759 | S | S | * | * | | | cis | -144 | 171.1 | 8.9 | 53.6 | 0 | 0 | 0 | 0 | 113.2 | | |
| 335 | S | 34.1 | Very low | 34.2 | Very low | 99 Ų | 99 | 122.2 Ų | 122.2 | 69% | 0.692 | 76% | 0.76 | S | S | * | * | | | trans | 45.2 | 149.6 | 135.6 | 66.4 | 0 | 0 | 0 | 0 | 124.3 | | |
| 336 | S | 36.1 | Very low | 34.4 | Very low | 99 Ų | 99 | 125.2 Ų | 125.2 | 69% | 0.692 | 77% | 0.766 | S | S | * | * | | | cis | 179.1 | 144.8 | -20.8 | 51.4 | 0 | 0 | 0 | 0 | 112.3 | | |
| 337 | Q | 32.8 | Very low | 34.4 | Very low | 166 Ų | 166 | 122 Ų | 122 | 78% | 0.776 | 76% | 0.755 | S | S | * | * | | | trans | 57.8 | 125.9 | 149.2 | -76.4 | -170 | -63.4 | 0 | 0 | 124 | | |
| 338 | L | 34.4 | Very low | 34.6 | Very low | 136 Ų | 136 | 124 Ų | 124 | 71% | 0.712 | 76% | 0.759 | S | S | * | * | | | trans | 64.4 | 155.7 | 134.9 | -55.6 | 175.8 | 0 | 0 | 0 | 119.4 | | |
| 339 | D | 29.8 | Very low | 34.5 | Very low | 134 Ų | 134 | 123.9 Ų | 123.9 | 72% | 0.717 | 75% | 0.753 | S | S | * | * | | | cis | -140.2 | -154.4 | -0.3 | -145.5 | -50.9 | 0 | 0 | 0 | 111.9 | | |
| 340 | S | 34.7 | Very low | 34.4 | Very low | 88 Ų | 88 | 129.2 Ų | 129.2 | 62% | 0.615 | 76% | 0.762 | S | S | * | * | | | trans | -108.4 | 165.7 | -149.6 | -54.1 | 0 | 0 | 0 | 0 | 117.9 | | |
| 341 | T | 33.7 | Very low | 34.5 | Very low | 140 Ų | 140 | 129 Ų | 129 | 86% | 0.859 | 75% | 0.747 | S | S | * | * | | | trans | 59.9 | 112.6 | 155.1 | 50.4 | 0 | 0 | 0 | 0 | 121 | | |
| 342 | A | 32.9 | Very low | 34.7 | Very low | 104 Ų | 104 | 132.8 Ų | 132.8 | 86% | 0.86 | 75% | 0.751 | S | S | * | * | | | | -165.9 | 155.6 | 126.6 | 0 | 0 | 0 | 0 | 0 | 111.7 | | |
| 343 | S | 36.3 | Very low | 34.7 | Very low | 132 Ų | 132 | 137.3 Ų | 137.3 | 92% | 0.923 | 75% | 0.754 | S | S | * | * | | | trans | -72.2 | 144 | -179.8 | -51.8 | 0 | 0 | 0 | 0 | 113.5 | | |
| 344 | G | 33.3 | Very low | 35.4 | Very low | 73 Ų | 73 | 133.8 Ų | 133.8 | 75% | 0.753 | 75% | 0.747 | S | S | * | * | | | trans | -154.8 | 96.1 | 173.3 | 0 | 0 | 0 | 0 | 0 | 112.9 | | |
| 345 | H | 35.8 | Very low | 35.7 | Very low | 161 Ų | 161 | 138.6 Ų | 138.6 | 75% | 0.745 | 76% | 0.758 | S | S | * | * | | | trans | -83.1 | 126.7 | 172.9 | 177.7 | -79.9 | 0 | 0 | 0 | 109.9 | D347 | H345-D347 IonicContact CE1-OD2 3.94Å; H345-D347 PolarHBondContact CE1-OD2 3.24Å; H345-D347 VanDerWaalsContact CE1-OD2 3.24Å; H345-D347 IonicContact ND1-OD2 3.7Å |
| 346 | V | 38.4 | Very low | 36.3 | Very low | 129 Ų | 129 | 140 Ų | 140 | 78% | 0.782 | 76% | 0.763 | S | S | * | * | | | trans | -135.3 | 113.1 | 174.3 | -80.4 | 0 | 0 | 0 | 0 | 111.2 | | |
| 347 | D | 37.7 | Very low | 37 | Very low | 132 Ų | 132 | 141 Ų | 141 | 71% | 0.706 | 77% | 0.767 | S | S | * | * | | | trans | -61.5 | 132.5 | 166.3 | -74.8 | -89.4 | 0 | 0 | 0 | 111 | H345 | H345-D347 IonicContact CE1-OD2 3.94Å; H345-D347 PolarHBondContact CE1-OD2 3.24Å; H345-D347 VanDerWaalsContact CE1-OD2 3.24Å; H345-D347 IonicContact ND1-OD2 3.7Å |
| 348 | I | 37.9 | Very low | 37.4 | Very low | 163 Ų | 163 | 140.1 Ų | 140.1 | 84% | 0.836 | 77% | 0.773 | S | S | * | * | | | trans | -121.8 | 92.4 | 154.3 | -60.4 | -174.6 | 0 | 0 | 0 | 107.9 | | |
| 349 | K | 32.9 | Very low | 37.7 | Very low | 152 Ų | 152 | 138.8 Ų | 138.8 | 66% | 0.661 | 78% | 0.775 | S | S | * | * | | | trans | -64.3 | 124.7 | 175 | -175.7 | -172.9 | -174.5 | -161.3 | 0 | 110.4 | E351 | K349-E351 HydrophobicContact CD-CG 4.33Å; K349-E351 WeakPolarHBondContact CE-OE1 2.99Å; K349-E351 HydrophobicContact CG-CG 4.32Å; K349-E351 IonicContact NZ-OE1 2.61Å; K349-E351 PolarHBondContact NZ-OE1 2.61Å |
| 350 | Y | 34.5 | Very low | 38 | Very low | 227 Ų | 227 | 140.8 Ų | 140.8 | 89% | 0.89 | 78% | 0.783 | S | S | * | * | | | trans | -115.2 | 124.9 | 160.8 | -152.1 | -88.6 | 0 | 0 | 0 | 107.4 | | |
| 351 | E | 37.6 | Very low | 38.3 | Very low | 117 Ų | 117 | 140.6 Ų | 140.6 | 55% | 0.547 | 79% | 0.786 | S | S | . | * | | | trans | -85.3 | 134.5 | -177.7 | -74 | -155.5 | 149.6 | 0 | 0 | 112.3 | K349 | K349-E351 HydrophobicContact CD-CG 4.33Å; K349-E351 WeakPolarHBondContact CE-OE1 2.99Å; K349-E351 HydrophobicContact CG-CG 4.32Å; K349-E351 IonicContact NZ-OE1 2.61Å; K349-E351 PolarHBondContact NZ-OE1 2.61Å |
| 352 | D | 34 | Very low | 39.1 | Very low | 151 Ų | 151 | 139.1 Ų | 139.1 | 81% | 0.807 | 78% | 0.779 | S | S | * | * | | | trans | -84.5 | 129.7 | 167.1 | -159.7 | -29 | 0 | 0 | 0 | 108.2 | | |
| 353 | Y | 36.2 | Very low | 39.6 | Very low | 194 Ų | 194 | 143.2 Ų | 143.2 | 76% | 0.761 | 78% | 0.78 | S | S | * | * | | | trans | -111.1 | 112.9 | -177.3 | -127.4 | -90.3 | 0 | 0 | 0 | 109.9 | | |
| 354 | P | 49.8 | Very low | 39.8 | Very low | 103 Ų | 103 | 143.5 Ų | 143.5 | 67% | 0.669 | 77% | 0.771 | S | S | * | * | | | trans | -78.9 | 135.4 | -159 | 28.9 | -35.9 | 0 | 0 | 0 | 113.9 | | |
| 355 | F | 36.6 | Very low | 40.1 | Very low | 210 Ų | 210 | 144.9 Ų | 144.9 | 92% | 0.921 | 77% | 0.77 | S | S | * | * | | | trans | -87.9 | 123.1 | 159.9 | -88.7 | -92.5 | 0 | 0 | 0 | 110.4 | | |
| 356 | T | 46.3 | Very low | 40.1 | Very low | 129 Ų | 129 | 149.3 Ų | 149.3 | 79% | 0.791 | 78% | 0.78 | S | S | * | * | | | trans | -132.4 | 154.2 | 165 | 40.5 | 0 | 0 | 0 | 0 | 111 | | |
| 357 | P | 52.5 | Low | 40.6 | Very low | 121 Ų | 121 | 149.5 Ų | 149.5 | 79% | 0.786 | 79% | 0.785 | S | S | * | * | | | trans | -107.5 | 163.2 | -147.9 | 39.5 | -35.5 | 0 | 0 | 0 | 115.2 | | |
| 358 | T | 39.5 | Very low | 41 | Very low | 147 Ų | 147 | 147.2 Ų | 147.2 | 90% | 0.902 | 79% | 0.785 | S | S | * | * | | | trans | -130.9 | 139 | 160 | -61.9 | 0 | 0 | 0 | 0 | 109.6 | | |
| 359 | S | 41.6 | Very low | 41.4 | Very low | 107 Ų | 107 | 147.7 Ų | 147.7 | 75% | 0.748 | 79% | 0.788 | S | S | * | * | | | trans | -127.4 | 135.8 | 177.3 | 169.2 | 0 | 0 | 0 | 0 | 109.5 | | |
| 360 | M | 35.8 | Very low | 41.9 | Very low | 177 Ų | 177 | 146.2 Ų | 146.2 | 87% | 0.872 | 80% | 0.798 | S | S | * | * | | | trans | -160.8 | 114 | 149.5 | -80.4 | -140 | 82.1 | 0 | 0 | 112.1 | | |
| 361 | A | 42 | Very low | 42.7 | Very low | 84 Ų | 84 | 144.9 Ų | 144.9 | 69% | 0.694 | 80% | 0.799 | S | S | * | * | | | trans | 56 | 153.1 | 138.8 | 0 | 0 | 0 | 0 | 0 | 122.4 | | |
| 362 | P | 50.3 | Low | 43.4 | Very low | 108 Ų | 108 | 147.9 Ų | 147.9 | 70% | 0.701 | 84% | 0.844 | S | S | * | * | | | trans | -96.8 | 166.3 | -171.5 | 38.9 | -36.6 | 0 | 0 | 0 | 114.9 | | |
| 363 | Q | 42.1 | Very low | 43.9 | Very low | 190 Ų | 190 | 147.8 Ų | 147.8 | 89% | 0.888 | 85% | 0.846 | S | S | * | * | | | trans | -115.7 | 143.8 | 163.8 | -79.1 | -68.1 | -16.3 | 0 | 0 | 110.6 | | |
| 364 | N | 40.7 | Very low | 44.3 | Very low | 138 Ų | 138 | 145.3 Ų | 145.3 | 74% | 0.738 | 85% | 0.851 | S | S | * | * | | | trans | -104.9 | 179.8 | -173 | -81.9 | -42.6 | 0 | 0 | 0 | 112.4 | | |
| 365 | S | 39.7 | Very low | 44 | Very low | 103 Ų | 103 | 147.7 Ų | 147.7 | 72% | 0.72 | 86% | 0.861 | S | S | * | * | | | trans | 63.6 | 112.8 | 155.1 | 60.8 | 0 | 0 | 0 | 0 | 119 | | |
| 366 | W | 36.3 | Very low | 44.4 | Very low | 253 Ų | 253 | 144 Ų | 144 | 96% | 0.958 | 86% | 0.857 | S | S | * | * | | | | -140 | 110.4 | 126.8 | -90.4 | 91.8 | 0 | 0 | 0 | 109.1 | | |
| 367 | C | 49.1 | Very low | 44.3 | Very low | 133 Ų | 133 | 144.9 Ų | 144.9 | 90% | 0.899 | 86% | 0.861 | S | S | * | * | | | trans | -143.6 | 107.8 | 171.5 | -82.1 | 0 | 0 | 0 | 0 | 110 | | |
| 368 | A | 45.7 | Very low | 43.8 | Very low | 85 Ų | 85 | 146.5 Ų | 146.5 | 70% | 0.702 | 87% | 0.867 | S | S | * | * | | | trans | -150.1 | 113.5 | 163.3 | 0 | 0 | 0 | 0 | 0 | 106.6 | | |
| 369 | L | 46.2 | Very low | 44.1 | Very low | 172 Ų | 172 | 146.5 Ų | 146.5 | 90% | 0.901 | 86% | 0.864 | S | S | * | * | | | | 73.4 | 94.4 | 77.5 | -89.6 | 165.9 | 0 | 0 | 0 | 114.1 | | |
| 370 | S | 43.5 | Very low | 44.3 | Very low | 122 Ų | 122 | 149.5 Ų | 149.5 | 85% | 0.853 | 87% | 0.873 | S | S | * | * | | | | -148.8 | 125.5 | 127.5 | 57.5 | 0 | 0 | 0 | 0 | 110.4 | | |
| 371 | Q | 51.3 | Low | 45 | Very low | 198 Ų | 198 | 147.3 Ų | 147.3 | 93% | 0.925 | 87% | 0.873 | S | S | * | * | | | trans | -155 | 107 | 161.2 | -152.4 | -177 | 120.7 | 0 | 0 | 107.3 | | |
| 372 | A | 52.7 | Low | 45.2 | Very low | 181 Ų | 181 | 153 Ų | 153 | 100% | 1.496 | 89% | 0.889 | S | S | * | * | | | trans | -161.6 | 0 | 173.5 | 0 | 0 | 0 | 0 | 0 | 107.1 | | |