| 1 | M | 51.7 | Low | 65.4 | Low | 251 Ų | 251 | 166.1 Ų | 166.1 | 100% | 1.236 | 87% | 0.869 | S | S | * | * | | | | 0 | 136.8 | 0 | -82.3 | 171 | 150.7 | 0 | 0 | 108.5 | | |
| 2 | Q | 62.8 | Low | 65.3 | Low | 193 Ų | 193 | 164.8 Ų | 164.8 | 90% | 0.902 | 86% | 0.863 | S | S | * | * | | | trans | -73.7 | 146.4 | -161.7 | -67.4 | 170.5 | -3.7 | 0 | 0 | 113.4 | | |
| 3 | V | 59 | Low | 64.9 | Low | 135 Ų | 135 | 166.2 Ų | 166.2 | 82% | 0.818 | 86% | 0.859 | S | S | * | * | | | trans | -77.9 | 112.5 | 172.2 | -86.6 | 0 | 0 | 0 | 0 | 110.9 | K5 | V3-K5 PolarHBondContact O-N 3.41Š|
| 4 | S | 65.9 | Low | 64.9 | Low | 116 Ų | 116 | 167.2 Ų | 167.2 | 81% | 0.811 | 86% | 0.857 | S | S | * | * | | | trans | -96.8 | 88.3 | 172.5 | 19.1 | 0 | 0 | 0 | 0 | 110.4 | T6 | S4-T6 PolarHBondContact O-N 3.5Š|
| 5 | K | 70.8 | Confident | 64.5 | Low | 194 Ų | 194 | 168.9 Ų | 168.9 | 84% | 0.843 | 86% | 0.856 | S | S | * | * | | | trans | -78 | 108.4 | 164.3 | -67.2 | 177.9 | -179.4 | 175.2 | 0 | 108.2 | V3 K7 | V3-K5 PolarHBondContact O-N 3.41Å; K5-K7 VanDerWaalsContact O-N 3.17Å; K5-K7 PolarHBondContact O-N 3.17Å |
| 6 | T | 71.4 | Confident | 64.2 | Low | 138 Ų | 138 | 164.7 Ų | 164.7 | 85% | 0.847 | 85% | 0.847 | S | S | * | * | | | trans | -72.6 | 106.4 | 172.2 | 47.9 | 0 | 0 | 0 | 0 | 109.7 | S4 S8 | S4-T6 PolarHBondContact O-N 3.5Å; T6-S8 PolarHBondContact O-N 3.26Å |
| 7 | K | 67.6 | Low | 63.8 | Low | 203 Ų | 203 | 164.8 Ų | 164.8 | 88% | 0.883 | 85% | 0.849 | S | S | * | * | | | trans | -76.9 | 96.8 | 174 | -174.3 | 175.7 | -176.8 | 179 | 0 | 108.6 | K5 A9 | K5-K7 VanDerWaalsContact O-N 3.17Å; K5-K7 PolarHBondContact O-N 3.17Å; K7-A9 PolarHBondContact O-N 3.48Å |
| 8 | S | 69.9 | Low | 63.2 | Low | 120 Ų | 120 | 161.9 Ų | 161.9 | 84% | 0.839 | 84% | 0.84 | S | S | * | * | P | Polyproline II helix | trans | -73.4 | 117.5 | 172.3 | -169.4 | 0 | 0 | 0 | 0 | 109.6 | T6 | T6-S8 PolarHBondContact O-N 3.26Š|
| 9 | A | 68.6 | Low | 62.8 | Low | 76 Ų | 76 | 164.3 Ų | 164.3 | 63% | 0.628 | 84% | 0.843 | S | S | * | * | P | Polyproline II helix | trans | -77.9 | 131.2 | -177.3 | 0 | 0 | 0 | 0 | 0 | 110.8 | K7 N11 | K7-A9 PolarHBondContact O-N 3.48Å; A9-N11 PolarHBondContact O-N 3.32Å |
| 10 | R | 64.1 | Low | 62.4 | Low | 250 Ų | 250 | 164.2 Ų | 164.2 | 94% | 0.943 | 84% | 0.839 | S | S | * | * | P | Polyproline II helix | trans | -69.1 | 122.7 | 169.5 | -86.3 | 178.8 | -87.9 | 157.7 | -7 | 109.3 | | |
| 11 | N | 67.4 | Low | 61.9 | Low | 151 Ų | 151 | 161.9 Ų | 161.9 | 81% | 0.807 | 84% | 0.838 | S | S | * | * | | | trans | -116.8 | 157.6 | 167.2 | -66.3 | -5 | 0 | 0 | 0 | 108.7 | A9 | A9-N11 PolarHBondContact O-N 3.32Š|
| 12 | N | 64.9 | Low | 61.9 | Low | 150 Ų | 150 | 153.6 Ų | 153.6 | 80% | 0.802 | 81% | 0.809 | S | S | * | * | | | | -154.7 | 146.5 | -51.9 | 178.3 | 18.7 | 0 | 0 | 0 | 103.1 | | |
| 13 | K | 59.8 | Low | 61 | Low | 184 Ų | 184 | 151 Ų | 151 | 80% | 0.8 | 81% | 0.807 | S | S | * | * | | | trans | -52.7 | 141.7 | 178.3 | -85.1 | 162.8 | 164.5 | 166.1 | 0 | 112.7 | | |
| 14 | Q | 64.1 | Low | 60.5 | Low | 180 Ų | 180 | 150.2 Ų | 150.2 | 84% | 0.841 | 80% | 0.804 | S | S | * | * | | | trans | -159.5 | 100.7 | 140.4 | -105.8 | 160.1 | -9.2 | 0 | 0 | 108.7 | | |
| 15 | K | 59.7 | Low | 59.3 | Low | 193 Ų | 193 | 148.4 Ų | 148.4 | 84% | 0.839 | 80% | 0.804 | S | S | * | * | | | | 101 | 110 | 92.4 | -79.4 | -83.6 | -174.6 | 173.6 | 0 | 108.2 | | |
| 16 | S | 59.6 | Low | 58.2 | Low | 101 Ų | 101 | 147.3 Ų | 147.3 | 71% | 0.706 | 80% | 0.802 | S | S | * | * | | | trans | -74.2 | 121 | 178.3 | 48.7 | 0 | 0 | 0 | 0 | 110.8 | V18 | S16-V18 PolarHBondContact O-N 2.75Š|
| 17 | D | 57.1 | Low | 56.9 | Low | 166 Ų | 166 | 147.5 Ų | 147.5 | 89% | 0.888 | 80% | 0.798 | S | S | * | * | | | trans | -91.2 | 84.7 | 158.6 | -72 | -54.6 | 0 | 0 | 0 | 108.1 | K19 | D17-K19 PolarHBondContact O-N 3.03Š|
| 18 | V | 52.8 | Low | 55.8 | Low | 114 Ų | 114 | 143.5 Ų | 143.5 | 69% | 0.691 | 79% | 0.786 | S | S | * | * | | | trans | -67.2 | 104.3 | 162.1 | 173 | 0 | 0 | 0 | 0 | 106 | S16 E20 | S16-V18 PolarHBondContact O-N 2.75Å; V18-E20 HydrophobicContact CG1-CB 4.1Å; V18-E20 PolarHBondContact O-N 3.38Å; V18-E20 VanDerWaalsContact O-N 3.15Å |
| 19 | K | 56.2 | Low | 55 | Low | 206 Ų | 206 | 145.6 Ų | 145.6 | 90% | 0.896 | 78% | 0.783 | S | S | * | * | | | trans | -83.3 | 84.1 | 162.2 | -143.2 | 172.5 | -170.5 | 178.4 | 0 | 107.2 | D17 S21 | D17-K19 PolarHBondContact O-N 3.03Å; K19-S21 PolarHBondContact O-N 2.98Å; K19-S21 VanDerWaalsContact O-N 3.13Å |
| 20 | E | 54.5 | Low | 54.3 | Low | 162 Ų | 162 | 149.5 Ų | 149.5 | 76% | 0.757 | 79% | 0.785 | S | S | * | * | | | trans | -61.5 | 101.4 | 166.7 | -173.9 | 174 | -169.4 | 0 | 0 | 108.2 | V18 A22 | V18-E20 HydrophobicContact CG1-CB 4.1Å; V18-E20 PolarHBondContact O-N 3.38Å; V18-E20 VanDerWaalsContact O-N 3.15Å; E20-A22 HydrophobicContact CG-CB 4.4Å |
| 21 | S | 51.6 | Low | 53.7 | Low | 117 Ų | 117 | 146.4 Ų | 146.4 | 82% | 0.818 | 78% | 0.781 | S | S | * | * | | | trans | -105.1 | 90 | 152.5 | 60.4 | 0 | 0 | 0 | 0 | 106.7 | K19 | K19-S21 PolarHBondContact O-N 2.98Å; K19-S21 VanDerWaalsContact O-N 3.13Å |
| 22 | A | 52.1 | Low | 52.8 | Low | 77 Ų | 77 | 147.6 Ų | 147.6 | 64% | 0.636 | 78% | 0.78 | S | S | * | * | | | trans | -72.4 | 123.6 | 168.2 | 0 | 0 | 0 | 0 | 0 | 109.5 | E20 | E20-A22 HydrophobicContact CG-CB 4.4Š|
| 23 | T | 43.5 | Very low | 52.3 | Low | 139 Ų | 139 | 147 Ų | 147 | 85% | 0.853 | 78% | 0.782 | S | S | * | * | | | | -159.3 | 147.4 | 127.6 | 23 | 0 | 0 | 0 | 0 | 109.8 | | |
| 24 | P | 49.2 | Very low | 51.6 | Low | 117 Ų | 117 | 146.8 Ų | 146.8 | 76% | 0.76 | 78% | 0.78 | S | S | * | * | | | trans | -90 | 128.4 | -150 | 34.6 | -31.7 | 0 | 0 | 0 | 111.7 | | |
| 25 | G | 39.7 | Very low | 51.3 | Low | 78 Ų | 78 | 145.3 Ų | 145.3 | 80% | 0.804 | 78% | 0.784 | S | S | * | * | | | trans | -99 | 99.8 | 154.6 | 0 | 0 | 0 | 0 | 0 | 106.7 | D27 | G25-D27 PolarHBondContact O-N 3.28Š|
| 26 | E | 48.6 | Very low | 50.6 | Low | 172 Ų | 172 | 144.6 Ų | 144.6 | 80% | 0.804 | 78% | 0.784 | S | S | * | * | | | trans | -45.7 | 123.9 | 161.4 | -66.3 | 167.7 | 121.2 | 0 | 0 | 108.8 | | |
| 27 | D | 44.3 | Very low | 49.7 | Very low | 142 Ų | 142 | 143.4 Ų | 143.4 | 76% | 0.759 | 79% | 0.787 | S | S | * | * | | | | 170.7 | 113.5 | 110.8 | -92.7 | -45.5 | 0 | 0 | 0 | 109.9 | G25 | G25-D27 PolarHBondContact O-N 3.28Š|
| 28 | D | 44.3 | Very low | 49.5 | Very low | 119 Ų | 119 | 139.7 Ų | 139.7 | 64% | 0.636 | 78% | 0.779 | S | S | * | * | | | trans | 40.6 | 104.3 | 145.5 | -86.1 | -103.5 | 0 | 0 | 0 | 119.6 | K30 | D28-K30 PolarHBondContact O-N 3.49Š|
| 29 | E | 53.5 | Low | 49.3 | Very low | 164 Ų | 164 | 142.1 Ų | 142.1 | 77% | 0.766 | 79% | 0.789 | S | S | * | * | | | | 16.9 | 110.4 | 110.6 | -56.8 | -167.3 | 155.4 | 0 | 0 | 116 | | |
| 30 | K | 53 | Low | 48.5 | Very low | 158 Ų | 158 | 136 Ų | 136 | 69% | 0.687 | 78% | 0.784 | S | S | * | * | | | | -175.7 | 98.5 | 114 | -96.4 | 150.2 | -166.8 | 150.6 | 0 | 111.3 | D28 K32 | D28-K30 PolarHBondContact O-N 3.49Å; K30-K32 PolarHBondContact O-N 3.47Å |
| 31 | E | 50.9 | Low | 48.6 | Very low | 184 Ų | 184 | 136.8 Ų | 136.8 | 86% | 0.86 | 79% | 0.785 | S | S | * | * | | | | -35.2 | 119.2 | 128 | -90.3 | -169.7 | 136 | 0 | 0 | 109.8 | | |
| 32 | K | 49.4 | Very low | 48.1 | Very low | 177 Ų | 177 | 137.5 Ų | 137.5 | 77% | 0.77 | 79% | 0.785 | S | S | * | * | | | trans | -153.6 | 82 | 136.5 | -66.8 | -160.2 | -176.7 | 176.3 | 0 | 110 | K30 K34 | K30-K32 PolarHBondContact O-N 3.47Å; K32-K34 VanDerWaalsContact C-N 3.32Å; K32-K34 PolarHBondContact O-N 3.2Å; K32-K34 VanDerWaalsContact O-N 3.16Å |
| 33 | T | 53.6 | Low | 48.3 | Very low | 137 Ų | 137 | 140.4 Ų | 140.4 | 84% | 0.84 | 79% | 0.789 | S | S | * | * | | | trans | -70.2 | 90.8 | 147.5 | 46.7 | 0 | 0 | 0 | 0 | 108.4 | | |
| 34 | K | 45.6 | Very low | 48.5 | Very low | 179 Ų | 179 | 142.3 Ų | 142.3 | 78% | 0.778 | 79% | 0.788 | S | S | * | * | | | trans | -147 | 105.5 | 158.6 | -71.3 | -165.2 | -179.3 | -179.4 | 0 | 110.3 | K32 | K32-K34 VanDerWaalsContact C-N 3.32Å; K32-K34 PolarHBondContact O-N 3.2Å; K32-K34 VanDerWaalsContact O-N 3.16Å |
| 35 | T | 58.2 | Low | 48.6 | Very low | 149 Ų | 149 | 146.5 Ų | 146.5 | 91% | 0.914 | 80% | 0.798 | S | S | * | * | | | trans | -69.6 | 115.8 | 155.2 | 42.4 | 0 | 0 | 0 | 0 | 108.5 | | |
| 36 | E | 45.2 | Very low | 49.3 | Very low | 179 Ų | 179 | 145.7 Ų | 145.7 | 84% | 0.836 | 79% | 0.79 | S | S | * | * | | | trans | -154.5 | 133.8 | 166.5 | -140.9 | 177.4 | -179.7 | 0 | 0 | 109.9 | | |
| 37 | G | 41.3 | Very low | 49.2 | Very low | 76 Ų | 76 | 143.7 Ų | 143.7 | 78% | 0.784 | 79% | 0.789 | S | S | * | * | | | trans | 67.3 | 116.1 | 142.6 | 0 | 0 | 0 | 0 | 0 | 118.3 | | |
| 38 | A | 53.1 | Low | 49.8 | Very low | 87 Ų | 87 | 146.1 Ų | 146.1 | 72% | 0.719 | 80% | 0.796 | S | S | * | * | | | trans | -54.6 | 155.3 | 166.4 | 0 | 0 | 0 | 0 | 0 | 114.2 | | |
| 39 | N | 48.2 | Very low | 50.6 | Low | 165 Ų | 165 | 149.9 Ų | 149.9 | 88% | 0.882 | 81% | 0.807 | S | S | * | * | | | trans | 75.2 | 103.3 | 152.5 | -57.4 | -41 | 0 | 0 | 0 | 119.2 | | |
| 40 | G | 39.4 | Very low | 51 | Low | 77 Ų | 77 | 151.7 Ų | 151.7 | 79% | 0.794 | 81% | 0.812 | S | S | * | * | | | trans | -144 | 100.4 | 149.2 | 0 | 0 | 0 | 0 | 0 | 108.6 | | |
| 41 | K | 55.2 | Low | 51.5 | Low | 179 Ų | 179 | 152.4 Ų | 152.4 | 78% | 0.778 | 82% | 0.818 | S | S | * | * | | | trans | -62.3 | 135.9 | 175.5 | -68.8 | -180 | 165.7 | -143 | 0 | 110.5 | | |
| 42 | T | 42.5 | Very low | 52.2 | Low | 133 Ų | 133 | 148.8 Ų | 148.8 | 82% | 0.816 | 81% | 0.811 | S | S | * | * | | | trans | -135.6 | 105.3 | 141.7 | -28.4 | 0 | 0 | 0 | 0 | 106.8 | E44 | T42-E44 PolarHBondContact O-N 3.23Š|
| 43 | D | 55.8 | Low | 53.4 | Low | 137 Ų | 137 | 146.5 Ų | 146.5 | 73% | 0.733 | 81% | 0.811 | S | S | * | * | | | trans | -68.7 | 105.7 | 166.4 | -68.9 | -78 | 0 | 0 | 0 | 107.3 | | |
| 44 | E | 47.2 | Very low | 54.2 | Low | 179 Ų | 179 | 142.8 Ų | 142.8 | 84% | 0.836 | 79% | 0.785 | S | S | * | * | | | trans | -124.3 | 110.2 | 158.9 | -87 | -170.6 | 162.2 | 0 | 0 | 109.1 | T42 G46 | T42-E44 PolarHBondContact O-N 3.23Å; E44-G46 PolarHBondContact O-N 3.44Å |
| 45 | E | 50.9 | Low | 55.8 | Low | 206 Ų | 206 | 138.6 Ų | 138.6 | 96% | 0.963 | 78% | 0.775 | S | S | * | * | | | trans | -53.5 | 119.9 | 162.4 | -179 | 177.8 | 179.6 | 0 | 0 | 109.5 | | |
| 46 | G | 54.9 | Low | 56.4 | Low | 61 Ų | 61 | 138.9 Ų | 138.9 | 63% | 0.629 | 77% | 0.766 | S | S | * | * | | | trans | 126.4 | 75.8 | 173.9 | 0 | 0 | 0 | 0 | 0 | 114.1 | E44 | E44-G46 PolarHBondContact O-N 3.44Š|
| 47 | T | 47.2 | Very low | 57.4 | Low | 129 Ų | 129 | 134.2 Ų | 134.2 | 79% | 0.791 | 75% | 0.753 | S | S | * | * | | | trans | 169.8 | 123.6 | 139.5 | 32.1 | 0 | 0 | 0 | 0 | 107.1 | K49 | T47-K49 PolarHBondContact O-N 3.45Š|
| 48 | E | 56.5 | Low | 58.6 | Low | 193 Ų | 193 | 137 Ų | 137 | 90% | 0.902 | 74% | 0.74 | S | S | * | * | | | trans | -55.4 | 113.8 | 171.7 | -70.9 | -179.8 | 155 | 0 | 0 | 108.7 | K50 | E48-K50 PolarHBondContact O-N 3.5Š|
| 49 | K | 60.2 | Low | 59.2 | Low | 199 Ų | 199 | 137.6 Ų | 137.6 | 87% | 0.865 | 73% | 0.726 | S | S | * | * | | | trans | -63.7 | 101.7 | -176.3 | -60.8 | 175.5 | -176.8 | 178.1 | 0 | 107.8 | T47 E51 | T47-K49 PolarHBondContact O-N 3.45Å; K49-E51 PolarHBondContact O-N 3.36Å; K49-E51 VanDerWaalsContact O-N 3.09Å |
| 50 | K | 62.7 | Low | 59.9 | Low | 201 Ų | 201 | 134.9 Ų | 134.9 | 87% | 0.874 | 71% | 0.708 | S | S | * | * | | | trans | -63.4 | 114.9 | 167.6 | -73.1 | -157 | 177.2 | -175.4 | 0 | 107.6 | E48 | E48-K50 PolarHBondContact O-N 3.5Š|
| 51 | E | 63.5 | Low | 61.2 | Low | 173 Ų | 173 | 136.8 Ų | 136.8 | 81% | 0.808 | 70% | 0.698 | S | S | * | * | | | trans | -56.5 | 132.4 | 170.8 | -64.2 | -159.8 | 155.3 | 0 | 0 | 108.7 | K49 T53 | K49-E51 PolarHBondContact O-N 3.36Å; K49-E51 VanDerWaalsContact O-N 3.09Å; E51-T53 PolarHBondContact O-N 3.41Å |
| 52 | P | 66.4 | Low | 61.6 | Low | 109 Ų | 109 | 132.4 Ų | 132.4 | 71% | 0.708 | 68% | 0.683 | S | S | * | * | | | trans | -64 | 108.9 | 178.5 | 25.5 | -32.1 | 0 | 0 | 0 | 108.5 | M54 | P52-M54 PolarHBondContact O-N 2.99Å; P52-M54 VanDerWaalsContact O-N 3.11Å |
| 53 | T | 73 | Confident | 62.5 | Low | 128 Ų | 128 | 134.9 Ų | 134.9 | 79% | 0.785 | 68% | 0.677 | S | S | * | * | | | trans | -66.2 | 113.8 | 173.6 | -56.8 | 0 | 0 | 0 | 0 | 107.9 | E51 T55 | E51-T53 PolarHBondContact O-N 3.41Å; T53-T55 PolarHBondContact O-N 3.4Å |
| 54 | M | 71.4 | Confident | 62.8 | Low | 60 Ų | 60 | 135.4 Ų | 135.4 | 30% | 0.296 | 68% | 0.675 | S | S | . | * | | | trans | -64.4 | 124.1 | 179.5 | -65.1 | -73.9 | -88.4 | 0 | 0 | 109.7 | P52 R58 K59 L62 | P52-M54 PolarHBondContact O-N 2.99Å; P52-M54 VanDerWaalsContact O-N 3.11Å; M54-R58 HydrophobicContact CE-CG 3.72Å; M54-R58 HydrophobicContact SD-CG 4.36Å; M54-R58 PolarHBondContact SD-NH1 3.43Å; M54-K59 HydrophobicContact CB-CG 4.19Å; M54-K59 WeakPolarHBondContact O-CE 3.43Å; M54-K59 PolarHBondContact O-NZ 3.21Å; M54-L62 HydrophobicContact CE-CD1 3.52Å |
| 55 | T | 78.3 | Confident | 63.5 | Low | 91 Ų | 91 | 132.7 Ų | 132.7 | 56% | 0.558 | 67% | 0.666 | S | S | * | * | | | trans | -65.2 | 152.1 | 175.4 | 57.5 | 0 | 0 | 0 | 0 | 110.8 | T53 S57 R58 K59 | T53-T55 PolarHBondContact O-N 3.4Å; T55-S57 VanDerWaalsContact C-N 3.29Å; T55-S57 PolarHBondContact O-N 2.79Å; T55-R58 WeakPolarHBondContact O-CB 3.05Å; T55-R58 PolarHBondContact O-N 3.06Å; T55-K59 PolarHBondContact O-N 3.01Å; T55-K59 VanDerWaalsContact O-N 3.09Å |
| 56 | E | 72.3 | Confident | 64 | Low | 154 Ų | 154 | 126.8 Ų | 126.8 | 72% | 0.72 | 64% | 0.641 | S | S | * | * | H | α-helix | trans | -58.1 | -40.9 | -177.6 | -63.4 | -173.8 | 153.9 | 0 | 0 | 112.1 | R58 K59 E60 | E56-R58 VanDerWaalsContact C-N 3.25Å; E56-R58 PolarHBondContact O-N 3.34Å; E56-K59 PolarHBondContact O-N 3.06Å; E56-K59 WeakPolarHBondContact O-CB 3.42Å; E56-K59 WeakPolarHBondContact O-CA 3.4Å; E56-E60 PolarHBondContact O-N 3.01Å |
| 57 | S | 65.3 | Low | 64.5 | Low | 82 Ų | 82 | 129.7 Ų | 129.7 | 57% | 0.573 | 65% | 0.647 | S | S | * | * | H | α-helix | trans | -58.7 | -35.3 | 174.4 | -43.6 | 0 | 0 | 0 | 0 | 113.1 | T55 M61 | T55-S57 VanDerWaalsContact C-N 3.29Å; T55-S57 PolarHBondContact O-N 2.79Å; S57-M61 WeakPolarHBondContact O-CG 3.42Å; S57-M61 PolarHBondContact O-N 3.39Å |
| 58 | R | 66.1 | Low | 65.4 | Low | 133 Ų | 133 | 130.2 Ų | 130.2 | 50% | 0.502 | 64% | 0.644 | S | S | . | * | H | α-helix | trans | -75.7 | -29 | 176.9 | -164 | 173.1 | -177.9 | -164.8 | 4.5 | 112.2 | M54 T55 E56 M61 L62 | M54-R58 HydrophobicContact CE-CG 3.72Å; M54-R58 HydrophobicContact SD-CG 4.36Å; M54-R58 PolarHBondContact SD-NH1 3.43Å; T55-R58 WeakPolarHBondContact O-CB 3.05Å; T55-R58 PolarHBondContact O-N 3.06Å; E56-R58 VanDerWaalsContact C-N 3.25Å; E56-R58 PolarHBondContact O-N 3.34Å; R58-M61 HydrophobicContact CB-CE 4.34Å; R58-M61 HydrophobicContact CG-CE 4.27Å; R58-L62 WeakPolarHBondContact O-CD1 3.39Å; R58-L62 PolarHBondContact O-N 3.19Å |
| 59 | K | 66.6 | Low | 66 | Low | 100 Ų | 100 | 128.4 Ų | 128.4 | 44% | 0.435 | 63% | 0.629 | S | S | . | * | H | α-helix | trans | -71.5 | -35.1 | 174.3 | -68.7 | 171.7 | 179.6 | 163.6 | 0 | 111.9 | M54 T55 E56 R63 | M54-K59 HydrophobicContact CB-CG 4.19Å; M54-K59 WeakPolarHBondContact O-CE 3.43Å; M54-K59 PolarHBondContact O-NZ 3.21Å; T55-K59 PolarHBondContact O-N 3.01Å; T55-K59 VanDerWaalsContact O-N 3.09Å; E56-K59 PolarHBondContact O-N 3.06Å; E56-K59 WeakPolarHBondContact O-CB 3.42Å; E56-K59 WeakPolarHBondContact O-CA 3.4Å; K59-R63 WeakPolarHBondContact O-CG 3.49Å |
| 60 | E | 63.6 | Low | 66.3 | Low | 109 Ų | 109 | 125.6 Ų | 125.6 | 51% | 0.509 | 62% | 0.624 | S | S | . | * | H | α-helix | trans | -68.3 | -47.3 | 177.2 | -71.2 | 178.9 | 168.8 | 0 | 0 | 111.8 | E56 L62 R63 E64 | E56-E60 PolarHBondContact O-N 3.01Å; E60-L62 VanDerWaalsContact C-N 3.25Å; E60-L62 PolarHBondContact O-N 3.09Å; E60-R63 WeakPolarHBondContact O-CB 3.44Å; E60-R63 PolarHBondContact O-N 3Å; E60-E64 PolarHBondContact O-N 3.33Å |
| 61 | M | 65.6 | Low | 66.5 | Low | 117 Ų | 117 | 121 Ų | 121 | 58% | 0.576 | 61% | 0.612 | S | S | * | * | H | α-helix | trans | -57.9 | -35.4 | 176.2 | -67.8 | -173.1 | -63.3 | 0 | 0 | 113.4 | S57 R58 R63 | S57-M61 WeakPolarHBondContact O-CG 3.42Å; S57-M61 PolarHBondContact O-N 3.39Å; R58-M61 HydrophobicContact CB-CE 4.34Å; R58-M61 HydrophobicContact CG-CE 4.27Å; M61-R63 VanDerWaalsContact C-N 3.28Å; M61-R63 PolarHBondContact O-N 3.25Å |
| 62 | L | 62.8 | Low | 66.8 | Low | 87 Ų | 87 | 121.9 Ų | 121.9 | 46% | 0.455 | 61% | 0.613 | S | S | . | * | H | α-helix | trans | -71.9 | -19.3 | 178.4 | -82.3 | 162 | 0 | 0 | 0 | 113.8 | M54 R58 E60 R69 | M54-L62 HydrophobicContact CE-CD1 3.52Å; R58-L62 WeakPolarHBondContact O-CD1 3.39Å; R58-L62 PolarHBondContact O-N 3.19Å; E60-L62 VanDerWaalsContact C-N 3.25Å; E60-L62 PolarHBondContact O-N 3.09Å; L62-R69 PolarHBondContact O-NH2 3.11Å |
| 63 | R | 63.3 | Low | 66.7 | Low | 185 Ų | 185 | 121.4 Ų | 121.4 | 70% | 0.698 | 61% | 0.613 | S | S | * | * | H | α-helix | trans | -84.2 | -31.4 | 177 | -71.2 | 174.3 | 178.4 | 166.7 | -0.3 | 112.4 | K59 E60 M61 D65 | K59-R63 WeakPolarHBondContact O-CG 3.49Å; E60-R63 WeakPolarHBondContact O-CB 3.44Å; E60-R63 PolarHBondContact O-N 3Å; M61-R63 VanDerWaalsContact C-N 3.28Å; M61-R63 PolarHBondContact O-N 3.25Å; R63-D65 VanDerWaalsContact C-N 3.29Å; R63-D65 PolarHBondContact O-N 3.41Å |
| 64 | E | 61.8 | Low | 66.2 | Low | 147 Ų | 147 | 123.1 Ų | 123.1 | 69% | 0.687 | 62% | 0.616 | S | S | * | * | H | α-helix | trans | -71.3 | -27.6 | -178.9 | -67.2 | 169.6 | -172.9 | 0 | 0 | 111.9 | E60 D66 | E60-E64 PolarHBondContact O-N 3.33Å; E64-D66 PolarHBondContact O-N 3.3Å |
| 65 | D | 61 | Low | 65.7 | Low | 122 Ų | 122 | 123.1 Ų | 123.1 | 65% | 0.652 | 63% | 0.631 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -97.3 | 34.3 | -177.8 | -103.3 | -9.3 | 0 | 0 | 0 | 114.1 | R63 | R63-D65 VanDerWaalsContact C-N 3.29Å; R63-D65 PolarHBondContact O-N 3.41Å |
| 66 | D | 61.9 | Low | 65.1 | Low | 82 Ų | 82 | 128.2 Ų | 128.2 | 44% | 0.439 | 65% | 0.645 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -102.1 | 0.2 | 175.2 | -115 | -34.7 | 0 | 0 | 0 | 114 | E64 L68 R69 | E64-D66 PolarHBondContact O-N 3.3Å; D66-L68 PolarHBondContact O-N 3.13Å; D66-R69 IonicContact OD2-NH2 2.9Å; D66-R69 PolarHBondContact OD2-NH1 3.15Å; D66-R69 WeakPolarHBondContact OD1-CD 3.21Å; D66-R69 IonicContact OD2-NH1 3.06Å; D66-R69 IonicContact OD2-CZ 2.75Å; D66-R69 IonicContact OD1-NH2 3.67Å; D66-R69 PolarHBondContact OD1-NH1 3.32Å; D66-R69 PolarHBondContact OD1-NE 3.16Å; D66-R69 IonicContact OD1-NE 3.06Å; D66-R69 IonicContact OD1-CZ 3.53Å; D66-R69 WeakPolarHBondContact OD1-CG 3.49Å; D66-R69 VanDerWaalsContact CG-NH1 3.25Å; D66-R69 VanDerWaalsContact CG-CZ 3.4Å; D66-R69 IonicContact OD1-NH1 3.58Å |
| 67 | T | 64.2 | Low | 65 | Low | 122 Ų | 122 | 132.1 Ų | 132.1 | 75% | 0.748 | 65% | 0.653 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -73.8 | -5.7 | -177.5 | 51.2 | 0 | 0 | 0 | 0 | 114.8 | | |
| 68 | L | 66.6 | Low | 65 | Low | 140 Ų | 140 | 136.4 Ų | 136.4 | 73% | 0.733 | 66% | 0.664 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -124 | 10 | -175.6 | -65 | 176.3 | 0 | 0 | 0 | 114.5 | D66 D70 | D66-L68 PolarHBondContact O-N 3.13Å; L68-D70 VanDerWaalsContact C-N 3.28Å; L68-D70 PolarHBondContact O-N 3.49Å |
| 69 | R | 70.1 | Confident | 64.8 | Low | 156 Ų | 156 | 138.2 Ų | 138.2 | 59% | 0.589 | 68% | 0.676 | S | S | * | * | | | trans | -85 | 22.2 | -175 | -63.4 | -158.6 | -157.3 | 137 | 9.3 | 116 | L62 D66 | L62-R69 PolarHBondContact O-NH2 3.11Å; D66-R69 IonicContact OD2-NH2 2.9Å; D66-R69 PolarHBondContact OD2-NH1 3.15Å; D66-R69 WeakPolarHBondContact OD1-CD 3.21Å; D66-R69 IonicContact OD2-NH1 3.06Å; D66-R69 IonicContact OD2-CZ 2.75Å; D66-R69 IonicContact OD1-NH2 3.67Å; D66-R69 PolarHBondContact OD1-NH1 3.32Å; D66-R69 PolarHBondContact OD1-NE 3.16Å; D66-R69 IonicContact OD1-NE 3.06Å; D66-R69 IonicContact OD1-CZ 3.53Å; D66-R69 WeakPolarHBondContact OD1-CG 3.49Å; D66-R69 VanDerWaalsContact CG-NH1 3.25Å; D66-R69 VanDerWaalsContact CG-CZ 3.4Å; D66-R69 IonicContact OD1-NH1 3.58Å |
| 70 | D | 66.6 | Low | 64.9 | Low | 140 Ų | 140 | 142.4 Ų | 142.4 | 75% | 0.749 | 69% | 0.694 | S | S | * | * | | | trans | -139.8 | 88.7 | 163.4 | -159.2 | 4.5 | 0 | 0 | 0 | 113 | L68 K72 | L68-D70 VanDerWaalsContact C-N 3.28Å; L68-D70 PolarHBondContact O-N 3.49Å; D70-K72 PolarHBondContact OD1-N 2.93Å |
| 71 | T | 66.9 | Low | 64.4 | Low | 103 Ų | 103 | 148 Ų | 148 | 63% | 0.632 | 72% | 0.72 | S | S | * | * | | | trans | -109.6 | 8.4 | 170.3 | 53.9 | 0 | 0 | 0 | 0 | 112.4 | S73 | T71-S73 PolarHBondContact O-N 3.24Š|
| 72 | K | 69.4 | Low | 64.3 | Low | 192 Ų | 192 | 149.5 Ų | 149.5 | 84% | 0.835 | 73% | 0.727 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -105.2 | 63.1 | -173.5 | -73.8 | -175.1 | -179.1 | 175.4 | 0 | 112.7 | D70 | D70-K72 PolarHBondContact OD1-N 2.93Š|
| 73 | S | 63.8 | Low | 64.4 | Low | 100 Ų | 100 | 152.8 Ų | 152.8 | 70% | 0.699 | 74% | 0.741 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -165.1 | 32.6 | 140.9 | -150 | 0 | 0 | 0 | 0 | 114.6 | T71 G75 | T71-S73 PolarHBondContact O-N 3.24Å; S73-G75 PolarHBondContact O-N 3.09Å |
| 74 | I | 61.6 | Low | 64.4 | Low | 164 Ų | 164 | 151 Ų | 151 | 84% | 0.841 | 74% | 0.744 | S | S | * | * | S | Bend | trans | -84.5 | 49.7 | 174.7 | -45.9 | 174.9 | 0 | 0 | 0 | 110.3 | | |
| 75 | G | 61.3 | Low | 64.6 | Low | 60 Ų | 60 | 151.2 Ų | 151.2 | 62% | 0.619 | 75% | 0.747 | S | S | * | * | | | trans | 176.4 | -5 | 178.4 | 0 | 0 | 0 | 0 | 0 | 121.4 | S73 R77 | S73-G75 PolarHBondContact O-N 3.09Å; G75-R77 PolarHBondContact O-N 2.94Å |
| 76 | K | 66.3 | Low | 64.8 | Low | 198 Ų | 198 | 153.1 Ų | 153.1 | 86% | 0.861 | 75% | 0.753 | S | S | * | * | | | trans | -84.6 | 76.7 | 172.2 | -64.7 | -152 | 179.9 | -172.3 | 0 | 110.2 | Q78 | K76-Q78 PolarHBondContact O-N 3.32Š|
| 77 | R | 70.3 | Confident | 65 | Low | 236 Ų | 236 | 157.8 Ų | 157.8 | 89% | 0.891 | 77% | 0.774 | S | S | * | * | | | trans | -58 | 127.5 | 162.5 | -71.6 | -174.4 | -69.9 | 142.4 | -2 | 108 | G75 K79 | G75-R77 PolarHBondContact O-N 2.94Å; R77-K79 PolarHBondContact O-N 3Å |
| 78 | Q | 64.9 | Low | 65.1 | Low | 171 Ų | 171 | 160.4 Ų | 160.4 | 80% | 0.799 | 78% | 0.776 | S | S | * | * | | | trans | -51.4 | 121.4 | 174.8 | -62.3 | 171.5 | -28.1 | 0 | 0 | 109.9 | K76 K80 | K76-Q78 PolarHBondContact O-N 3.32Å; Q78-K80 PolarHBondContact O-N 3.32Å |
| 79 | K | 62.7 | Low | 65 | Low | 172 Ų | 172 | 161.9 Ų | 161.9 | 75% | 0.748 | 78% | 0.779 | S | S | * | * | | | trans | -85.5 | 101.8 | 155.6 | -163.7 | -170.8 | -179.5 | -143.4 | 0 | 105.7 | R77 E81 | R77-K79 PolarHBondContact O-N 3Å; K79-E81 IonicContact NZ-OE2 2.79Å; K79-E81 PolarHBondContact NZ-OE2 3.42Å |
| 80 | K | 67.3 | Low | 64.5 | Low | 187 Ų | 187 | 162.4 Ų | 162.4 | 81% | 0.813 | 80% | 0.795 | S | S | * | * | | | trans | -78.7 | 114.9 | 158.9 | -74.2 | -173.3 | 178.8 | -177.9 | 0 | 106.5 | Q78 | Q78-K80 PolarHBondContact O-N 3.32Š|
| 81 | E | 53.2 | Low | 64.3 | Low | 226 Ų | 226 | 164.5 Ų | 164.5 | 100% | 1.056 | 80% | 0.799 | S | S | * | * | | | trans | -151.1 | 0 | 153 | -167.5 | 174.8 | -172.4 | 0 | 0 | 107.5 | K79 | K79-E81 IonicContact NZ-OE2 2.79Å; K79-E81 PolarHBondContact NZ-OE2 3.42Å |