| Site | Residue | pLDDT | pLDDT confidence | pLDDT10 | pLDDT10 confidence | SASA | SASA [Ų] | SASA10 | SASA10 [Ų] | RSA | RSA unformatted | RSA10 | RSA10 unformatted | Surface | Surface10 (not used) | Disorder (not used) | Disorder | Sec. str. | Secondary structure | Isomer | Phi (φ) | Psi (ψ) | Omega (ω) | Chi 1 (χ1) | Chi 2 (χ2) | Chi 3 (χ3) | Chi 4 (χ4) | Chi 5 (χ5) | Tau (τ) | Contacts (colored by PAE) | Contact details |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 1 | M | 53.4 | Low | 59.7 | Low | 237 Ų | 237 | 141.5 Ų | 141.5 | 100% | 1.167 | 81% | 0.806 | S | S | * | * | 0 | 85.9 | 0 | -60.4 | -174.3 | -166.3 | 0 | 0 | 108.3 | |||||
| 2 | Y | 57.8 | Low | 59.2 | Low | 220 Ų | 220 | 142.5 Ų | 142.5 | 86% | 0.863 | 81% | 0.808 | S | S | * | * | trans | -152.1 | 70.5 | 176.7 | -131.1 | -92.6 | 0 | 0 | 0 | 108.3 | L5 | Y2-L5 HydrophobicContact CE1-CD1 4.25Š| ||
| 3 | S | 59.2 | Low | 58.9 | Low | 123 Ų | 123 | 138 Ų | 138 | 86% | 0.86 | 80% | 0.799 | S | S | * | * | trans | -133.1 | 91.3 | 177.8 | 54 | 0 | 0 | 0 | 0 | 107 | ||||
| 4 | G | 60.9 | Low | 58.8 | Low | 73 Ų | 73 | 141 Ų | 141 | 75% | 0.753 | 80% | 0.802 | S | S | * | * | trans | -173.8 | 14.1 | -175.9 | 0 | 0 | 0 | 0 | 0 | 116.7 | ||||
| 5 | L | 62.9 | Low | 58.4 | Low | 148 Ų | 148 | 143.2 Ų | 143.2 | 78% | 0.775 | 81% | 0.808 | S | S | * | * | trans | -113.1 | 18.8 | -179.6 | -85.9 | 158.4 | 0 | 0 | 0 | 113.4 | Y2 | Y2-L5 HydrophobicContact CE1-CD1 4.25Š| ||
| 6 | L | 68.9 | Low | 58.1 | Low | 111 Ų | 111 | 141.7 Ų | 141.7 | 58% | 0.581 | 81% | 0.81 | S | S | * | * | S | Bend | trans | -93.9 | 131.9 | 173.4 | -68.1 | 176.5 | 0 | 0 | 0 | 110.8 | ||
| 7 | P | 66.2 | Low | 57.4 | Low | 101 Ų | 101 | 140.9 Ų | 140.9 | 66% | 0.656 | 82% | 0.815 | S | S | * | * | trans | -53.5 | 143.8 | 170.2 | -24.1 | 33.4 | 0 | 0 | 0 | 111.4 | G9 | P7-G9 PolarHBondContact O-N 3.48Š| ||
| 8 | K | 62.4 | Low | 57.3 | Low | 225 Ų | 225 | 140.5 Ų | 140.5 | 98% | 0.978 | 81% | 0.809 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -62.8 | 106.6 | -176.8 | -137.2 | 119.7 | 179.7 | 176.1 | 0 | 109.6 | ||
| 9 | G | 58.8 | Low | 56.8 | Low | 78 Ų | 78 | 141.6 Ų | 141.6 | 80% | 0.804 | 81% | 0.812 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 146.4 | -2.5 | 174.8 | 0 | 0 | 0 | 0 | 0 | 117.8 | P7 | P7-G9 PolarHBondContact O-N 3.48Š|
| 10 | L | 51.4 | Low | 56.5 | Low | 139 Ų | 139 | 142 Ų | 142 | 73% | 0.728 | 81% | 0.806 | S | S | * | * | trans | -119 | 113.3 | 175.2 | -72.1 | 163.3 | 0 | 0 | 0 | 109.6 | ||||
| 11 | S | 55.3 | Low | 55.9 | Low | 101 Ų | 101 | 142.1 Ų | 142.1 | 71% | 0.706 | 81% | 0.805 | S | S | * | * | trans | -91.9 | 135.7 | 170 | 46.7 | 0 | 0 | 0 | 0 | 109.8 | A13 | S11-A13 PolarHBondContact O-N 3.25Š| ||
| 12 | D | 53.4 | Low | 55.4 | Low | 154 Ų | 154 | 138.3 Ų | 138.3 | 82% | 0.824 | 79% | 0.789 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -68.8 | 25.2 | -178 | -62.6 | -41.5 | 0 | 0 | 0 | 114.8 | ||
| 13 | A | 55.3 | Low | 54.4 | Low | 84 Ų | 84 | 136.5 Ų | 136.5 | 69% | 0.694 | 79% | 0.789 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -110.5 | 9.5 | -167.2 | 0 | 0 | 0 | 0 | 0 | 115.7 | S11 | S11-A13 PolarHBondContact O-N 3.25Š|
| 14 | E | 57.2 | Low | 53.2 | Low | 180 Ų | 180 | 134.1 Ų | 134.1 | 84% | 0.841 | 78% | 0.784 | S | S | * | * | S | Bend | trans | -129.7 | 50.8 | 179 | -68.5 | -168 | 175.7 | 0 | 0 | 114 | ||
| 15 | I | 53.4 | Low | 51.8 | Low | 174 Ų | 174 | 139.7 Ų | 139.7 | 89% | 0.892 | 79% | 0.79 | S | S | * | * | trans | -141.1 | 85.6 | 153.3 | -89.5 | 133.3 | 0 | 0 | 0 | 106.7 | ||||
| 16 | S | 53.4 | Low | 50.4 | Low | 119 Ų | 119 | 137.2 Ų | 137.2 | 83% | 0.832 | 79% | 0.785 | S | S | * | * | trans | -163.1 | 93.3 | 160.9 | -177.9 | 0 | 0 | 0 | 0 | 107.8 | ||||
| 17 | S | 46.7 | Very low | 48.7 | Very low | 129 Ų | 129 | 138.5 Ų | 138.5 | 90% | 0.902 | 80% | 0.797 | S | S | * | * | trans | -143.8 | 109.2 | 152.9 | -154.3 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 18 | D | 54.8 | Low | 47.3 | Very low | 133 Ų | 133 | 139.4 Ų | 139.4 | 71% | 0.711 | 80% | 0.8 | S | S | * | * | trans | -94.7 | 136.5 | 169.5 | 178.5 | 45.7 | 0 | 0 | 0 | 106.9 | ||||
| 19 | D | 48.4 | Very low | 45.8 | Very low | 162 Ų | 162 | 133.6 Ų | 133.6 | 87% | 0.866 | 79% | 0.794 | S | S | * | * | trans | -168 | 145.7 | 141.4 | -142.6 | 27.9 | 0 | 0 | 0 | 112.2 | ||||
| 20 | E | 50.9 | Low | 44.6 | Very low | 148 Ų | 148 | 137.2 Ų | 137.2 | 69% | 0.692 | 80% | 0.795 | S | S | * | * | trans | -95.7 | 178 | -161.5 | -80.7 | -83.9 | 177.7 | 0 | 0 | 115.9 | ||||
| 21 | D | 42.8 | Very low | 44 | Very low | 146 Ų | 146 | 139 Ų | 139 | 78% | 0.781 | 80% | 0.8 | S | S | * | * | trans | 86.9 | 116 | 154.6 | -63.3 | -40 | 0 | 0 | 0 | 121.5 | ||||
| 22 | D | 43.1 | Very low | 43 | Very low | 156 Ų | 156 | 143.1 Ų | 143.1 | 83% | 0.834 | 81% | 0.808 | S | S | * | * | -168.3 | 150.3 | 105.3 | -162.6 | 21.4 | 0 | 0 | 0 | 113 | |||||
| 23 | Q | 37.8 | Very low | 42.2 | Very low | 183 Ų | 183 | 144.3 Ų | 144.3 | 86% | 0.855 | 81% | 0.806 | S | S | * | * | trans | -78.9 | 161.6 | -161.6 | -58.2 | 179.8 | 22.4 | 0 | 0 | 116.5 | ||||
| 24 | G | 32.6 | Very low | 41.2 | Very low | 73 Ų | 73 | 146.4 Ų | 146.4 | 75% | 0.753 | 81% | 0.81 | S | S | * | * | trans | -175.5 | 53.8 | 169.5 | 0 | 0 | 0 | 0 | 0 | 117.7 | ||||
| 25 | Q | 32.4 | Very low | 40.2 | Very low | 190 Ų | 190 | 146.5 Ų | 146.5 | 89% | 0.888 | 82% | 0.816 | S | S | * | * | trans | 60 | 122.1 | 144.9 | -118.1 | 153.7 | 8 | 0 | 0 | 124.1 | ||||
| 26 | S | 33.8 | Very low | 39.4 | Very low | 95 Ų | 95 | 142.5 Ų | 142.5 | 66% | 0.664 | 81% | 0.808 | S | S | * | * | trans | -15.5 | 148.9 | 153.6 | 64.5 | 0 | 0 | 0 | 0 | 118.6 | ||||
| 27 | V | 32 | Very low | 38.6 | Very low | 138 Ų | 138 | 142 Ų | 142 | 84% | 0.836 | 81% | 0.805 | S | S | * | * | -150.5 | 137.5 | 79.5 | -177.7 | 0 | 0 | 0 | 0 | 113.1 | |||||
| 28 | V | 37.8 | Very low | 38.2 | Very low | 120 Ų | 120 | 143.5 Ų | 143.5 | 73% | 0.727 | 80% | 0.803 | S | S | * | * | trans | -73.8 | 142.3 | 175.3 | -124.9 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 29 | A | 31.3 | Very low | 37.3 | Very low | 103 Ų | 103 | 146.3 Ų | 146.3 | 85% | 0.851 | 81% | 0.809 | S | S | * | * | trans | -153.4 | 108.2 | 148 | 0 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 30 | N | 32.6 | Very low | 36.5 | Very low | 154 Ų | 154 | 144.8 Ų | 144.8 | 82% | 0.824 | 81% | 0.81 | S | S | * | * | trans | -70 | 138 | 166.5 | -74.4 | -50.6 | 0 | 0 | 0 | 110.4 | ||||
| 31 | Q | 38.3 | Very low | 35.6 | Very low | 178 Ų | 178 | 148.8 Ų | 148.8 | 83% | 0.832 | 82% | 0.818 | S | S | * | * | trans | -151.7 | 108.8 | 148.3 | -148.1 | 164.6 | 87.7 | 0 | 0 | 111.4 | ||||
| 32 | E | 35.9 | Very low | 35.2 | Very low | 187 Ų | 187 | 146.2 Ų | 146.2 | 87% | 0.874 | 82% | 0.818 | S | S | * | * | trans | -61.7 | 139.3 | 159.1 | -68.1 | 177.5 | 122.1 | 0 | 0 | 110 | ||||
| 33 | K | 36.7 | Very low | 35.1 | Very low | 178 Ų | 178 | 145.6 Ų | 145.6 | 77% | 0.774 | 82% | 0.819 | S | S | * | * | trans | -161.9 | 104.1 | 149.3 | -116.9 | 167.1 | -177 | 175.8 | 0 | 113.3 | ||||
| 34 | T | 32.9 | Very low | 35 | Very low | 128 Ų | 128 | 140.4 Ų | 140.4 | 79% | 0.785 | 82% | 0.815 | S | S | * | * | trans | 50.4 | 118.4 | 133.5 | 60.9 | 0 | 0 | 0 | 0 | 120.8 | ||||
| 35 | L | 37.6 | Very low | 35.4 | Very low | 182 Ų | 182 | 145.5 Ų | 145.5 | 95% | 0.953 | 82% | 0.824 | S | S | * | * | trans | -45.1 | 132.9 | 154.6 | -68.2 | 152.8 | 0 | 0 | 0 | 113 | ||||
| 36 | A | 34.7 | Very low | 35.7 | Very low | 90 Ų | 90 | 141.2 Ų | 141.2 | 74% | 0.744 | 82% | 0.815 | S | S | * | * | trans | -140.8 | 106.5 | 156.7 | 0 | 0 | 0 | 0 | 0 | 109.8 | N38 | A36-N38 PolarHBondContact O-N 2.96Š| ||
| 37 | S | 38.6 | Very low | 35.7 | Very low | 110 Ų | 110 | 148.4 Ų | 148.4 | 77% | 0.769 | 83% | 0.828 | S | S | * | * | trans | -66 | 117.7 | 169.4 | 152.8 | 0 | 0 | 0 | 0 | 110 | ||||
| 38 | N | 37.9 | Very low | 35.7 | Very low | 159 Ų | 159 | 144.9 Ų | 144.9 | 85% | 0.85 | 82% | 0.819 | S | S | * | * | trans | -109.1 | 96.9 | 165 | -79.9 | -20.9 | 0 | 0 | 0 | 110.4 | A36 | A36-N38 PolarHBondContact O-N 2.96Š| ||
| 39 | K | 34.8 | Very low | 35.5 | Very low | 192 Ų | 192 | 146.4 Ų | 146.4 | 84% | 0.835 | 82% | 0.822 | S | S | * | * | trans | -83.8 | 115.9 | 166.7 | -177.5 | 175.2 | -175.3 | 174.6 | 0 | 107.6 | ||||
| 40 | C | 32.8 | Very low | 35.9 | Very low | 131 Ų | 131 | 150 Ų | 150 | 89% | 0.885 | 82% | 0.819 | S | S | * | * | trans | -110.8 | 141.5 | 163.5 | -79.4 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 41 | R | 30.4 | Very low | 36.2 | Very low | 231 Ų | 231 | 151.4 Ų | 151.4 | 87% | 0.872 | 82% | 0.82 | S | S | * | * | trans | -98.7 | 145.4 | -150.1 | 173 | 179.7 | 175.8 | -175.4 | -0.1 | 111.1 | ||||
| 42 | A | 36.3 | Very low | 36.3 | Very low | 93 Ų | 93 | 150.5 Ų | 150.5 | 77% | 0.769 | 82% | 0.821 | S | S | * | * | trans | -65.1 | 137.7 | 170.1 | 0 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 43 | V | 40.3 | Very low | 36.4 | Very low | 142 Ų | 142 | 148.2 Ų | 148.2 | 86% | 0.861 | 82% | 0.819 | S | S | * | * | trans | -147.8 | 118.3 | 157.7 | -100 | 0 | 0 | 0 | 0 | 103.4 | ||||
| 44 | G | 35.6 | Very low | 36.2 | Very low | 74 Ų | 74 | 143.4 Ų | 143.4 | 76% | 0.763 | 82% | 0.82 | S | S | * | * | cis | 97.2 | 64.4 | 32.4 | 0 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 45 | L | 41.8 | Very low | 36.2 | Very low | 180 Ų | 180 | 143.1 Ų | 143.1 | 94% | 0.942 | 82% | 0.819 | S | S | * | * | trans | -138.7 | 143.7 | 160.4 | -83.5 | 170.8 | 0 | 0 | 0 | 109.8 | ||||
| 46 | S | 38.3 | Very low | 36.3 | Very low | 101 Ų | 101 | 141.7 Ų | 141.7 | 71% | 0.706 | 81% | 0.811 | S | S | * | * | trans | -122.4 | 153.3 | -146.4 | 55.7 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 47 | R | 32.9 | Very low | 36.1 | Very low | 246 Ų | 246 | 142.9 Ų | 142.9 | 93% | 0.928 | 81% | 0.809 | S | S | * | * | trans | 73.2 | 121.2 | 130.5 | -166.6 | 179.4 | -169.7 | -152.8 | 2.7 | 119.3 | ||||
| 48 | G | 31.8 | Very low | 36 | Very low | 63 Ų | 63 | 144.1 Ų | 144.1 | 65% | 0.649 | 81% | 0.807 | S | S | * | * | trans | 130.4 | 106.2 | 136.9 | 0 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 49 | L | 34.1 | Very low | 35.7 | Very low | 152 Ų | 152 | 142.9 Ų | 142.9 | 80% | 0.796 | 81% | 0.806 | S | S | * | * | 84.7 | 123.7 | 94.5 | -159.3 | 71.8 | 0 | 0 | 0 | 109.7 | |||||
| 50 | K | 38.7 | Very low | 35.7 | Very low | 179 Ų | 179 | 139 Ų | 139 | 78% | 0.778 | 80% | 0.802 | S | S | * | * | cis | -169.6 | 152.5 | 37.4 | -136.8 | 157.6 | -162.3 | -176.4 | 0 | 109.3 | ||||
| 51 | E | 40.4 | Very low | 36.4 | Very low | 184 Ų | 184 | 138.5 Ų | 138.5 | 86% | 0.86 | 80% | 0.8 | S | S | * | * | trans | -62 | 152.3 | 163.9 | -57.7 | 150.6 | 167.5 | 0 | 0 | 111.4 | ||||
| 52 | N | 38.8 | Very low | 36.6 | Very low | 158 Ų | 158 | 132.7 Ų | 132.7 | 85% | 0.845 | 80% | 0.795 | S | S | * | * | -157.5 | 123.7 | 125.4 | 66.9 | -12.4 | 0 | 0 | 0 | 113.4 | |||||
| 53 | V | 39.7 | Very low | 36.6 | Very low | 139 Ų | 139 | 136.2 Ų | 136.2 | 84% | 0.842 | 80% | 0.795 | S | S | * | * | trans | -77.3 | 144.3 | 153.1 | 162.2 | 0 | 0 | 0 | 0 | 107.8 | ||||
| 54 | G | 30.8 | Very low | 36.6 | Very low | 77 Ų | 77 | 136.3 Ų | 136.3 | 79% | 0.794 | 79% | 0.79 | S | S | * | * | trans | -166.2 | 97.4 | 173.2 | 0 | 0 | 0 | 0 | 0 | 113 | ||||
| 55 | T | 34.9 | Very low | 36.7 | Very low | 123 Ų | 123 | 140.7 Ų | 140.7 | 76% | 0.755 | 79% | 0.79 | S | S | * | * | trans | -77.9 | 154.8 | 174.1 | -32 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 56 | L | 37.8 | Very low | 37.3 | Very low | 151 Ų | 151 | 137 Ų | 137 | 79% | 0.791 | 78% | 0.777 | S | S | * | * | trans | 94.6 | 122 | 138.1 | -150.5 | 89.3 | 0 | 0 | 0 | 120.9 | ||||
| 57 | V | 32.2 | Very low | 37.1 | Very low | 116 Ų | 116 | 138.7 Ų | 138.7 | 70% | 0.703 | 78% | 0.783 | S | S | * | * | trans | 89 | 130.1 | 138.1 | 149.9 | 0 | 0 | 0 | 0 | 122.2 | ||||
| 58 | D | 35.4 | Very low | 37.4 | Very low | 136 Ų | 136 | 133 Ų | 133 | 73% | 0.727 | 78% | 0.775 | S | S | * | * | trans | -27.9 | 145.2 | 162.4 | -71.7 | -47.9 | 0 | 0 | 0 | 117.5 | ||||
| 59 | T | 32.5 | Very low | 38.3 | Very low | 133 Ų | 133 | 138.9 Ų | 138.9 | 82% | 0.816 | 79% | 0.786 | S | S | * | * | -177.2 | 130.4 | 113.2 | 28.2 | 0 | 0 | 0 | 0 | 112.6 | |||||
| 60 | S | 33.8 | Very low | 38.7 | Very low | 109 Ų | 109 | 138.3 Ų | 138.3 | 76% | 0.762 | 78% | 0.779 | S | S | * | * | trans | 71.9 | 104.7 | 136.3 | -52.5 | 0 | 0 | 0 | 0 | 122.2 | ||||
| 61 | S | 47.1 | Very low | 39.4 | Very low | 121 Ų | 121 | 137.7 Ų | 137.7 | 85% | 0.846 | 78% | 0.784 | S | S | * | * | 53.7 | 108.7 | 110.8 | -168.6 | 0 | 0 | 0 | 0 | 120.6 | |||||
| 62 | S | 35.3 | Very low | 39.8 | Very low | 110 Ų | 110 | 135.6 Ų | 135.6 | 77% | 0.769 | 77% | 0.772 | S | S | * | * | trans | -166.1 | 107.4 | 137.2 | 59 | 0 | 0 | 0 | 0 | 108.2 | ||||
| 63 | H | 37.2 | Very low | 40.8 | Very low | 166 Ų | 166 | 131.5 Ų | 131.5 | 77% | 0.769 | 76% | 0.756 | S | S | * | * | 83.1 | 135 | 85.5 | -164.9 | 62.9 | 0 | 0 | 0 | 114.3 | |||||
| 64 | I | 38.5 | Very low | 41.4 | Very low | 144 Ų | 144 | 133.8 Ų | 133.8 | 74% | 0.738 | 76% | 0.762 | S | S | * | * | trans | 82.4 | 131.5 | 176.6 | -43.5 | -176.3 | 0 | 0 | 0 | 116.2 | ||||
| 65 | Q | 38.6 | Very low | 42.9 | Very low | 167 Ų | 167 | 134.7 Ų | 134.7 | 78% | 0.78 | 75% | 0.749 | S | S | * | * | cis | -165.6 | 167.6 | -35 | -104.8 | -132.1 | -26.3 | 0 | 0 | 105.5 | ||||
| 66 | P | 53.4 | Low | 44.3 | Very low | 102 Ų | 102 | 130.7 Ų | 130.7 | 66% | 0.662 | 73% | 0.726 | S | S | * | * | trans | -92.5 | -174.2 | -156.2 | 39.3 | -34.3 | 0 | 0 | 0 | 113.6 | ||||
| 67 | V | 34.3 | Very low | 46.1 | Very low | 136 Ų | 136 | 128.9 Ų | 128.9 | 82% | 0.824 | 72% | 0.716 | S | S | * | * | trans | 110.4 | 112.4 | 178.1 | 178.1 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 68 | V | 40.5 | Very low | 47.8 | Very low | 127 Ų | 127 | 129.7 Ų | 129.7 | 77% | 0.77 | 72% | 0.724 | S | S | * | * | cis | -150.5 | 142.9 | 48.6 | -176.3 | 0 | 0 | 0 | 0 | 109.4 | H70 | V68-H70 PolarHBondContact O-N 3.05Š| ||
| 69 | E | 50 | Low | 49.7 | Very low | 187 Ų | 187 | 127.5 Ų | 127.5 | 87% | 0.874 | 73% | 0.733 | S | S | * | * | trans | -51.3 | 119 | 164.3 | -67.1 | 174.9 | 154.7 | 0 | 0 | 111.3 | ||||
| 70 | H | 42 | Very low | 52.1 | Low | 140 Ų | 140 | 124 Ų | 124 | 65% | 0.648 | 71% | 0.711 | S | S | * | * | trans | -123.4 | 94.2 | 150.9 | -129.9 | -33.8 | 0 | 0 | 0 | 107.7 | V68 K72 | V68-H70 PolarHBondContact O-N 3.05Å; H70-K72 WeakPolarHBondContact CE1-CE 3.36Å; H70-K72 PolarHBondContact CE1-NZ 3.21Å; H70-K72 WeakPolarHBondContact ND1-CD 3.44Å; H70-K72 WeakPolarHBondContact ND1-CE 3.13Å; H70-K72 PolarHBondContact NE2-NZ 3.16Å; H70-K72 PolarHBondContact O-N 2.84Å | ||
| 71 | D | 53.9 | Low | 54.6 | Low | 166 Ų | 166 | 121.8 Ų | 121.8 | 89% | 0.888 | 70% | 0.696 | S | S | * | * | trans | -60.6 | 85.5 | 164.2 | -162.3 | 9.3 | 0 | 0 | 0 | 108.1 | ||||
| 72 | K | 50 | Low | 56.4 | Low | 140 Ų | 140 | 121.5 Ų | 121.5 | 61% | 0.609 | 68% | 0.681 | S | S | * | * | trans | -140.3 | 99 | 179 | -79.8 | 179.9 | 173.1 | 162.9 | 0 | 109.1 | H70 | H70-K72 WeakPolarHBondContact CE1-CE 3.36Å; H70-K72 PolarHBondContact CE1-NZ 3.21Å; H70-K72 WeakPolarHBondContact ND1-CD 3.44Å; H70-K72 WeakPolarHBondContact ND1-CE 3.13Å; H70-K72 PolarHBondContact NE2-NZ 3.16Å; H70-K72 PolarHBondContact O-N 2.84Å | ||
| 73 | S | 58.3 | Low | 58.9 | Low | 72 Ų | 72 | 122.8 Ų | 122.8 | 50% | 0.503 | 68% | 0.675 | S | S | . | * | trans | 50.4 | 76 | 149.8 | 60.4 | 0 | 0 | 0 | 0 | 116.5 | D75 | S73-D75 PolarHBondContact O-N 3.24Š| ||
| 74 | L | 52.3 | Low | 61.4 | Low | 187 Ų | 187 | 122.2 Ų | 122.2 | 98% | 0.979 | 67% | 0.67 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -64.7 | 53.5 | 158.2 | -69.9 | 174.8 | 0 | 0 | 0 | 112.5 | ||
| 75 | D | 63.9 | Low | 63.8 | Low | 95 Ų | 95 | 117.7 Ų | 117.7 | 51% | 0.508 | 64% | 0.644 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -148.7 | -5 | 173.2 | -149.5 | 25.6 | 0 | 0 | 0 | 114.8 | S73 W85 K89 | S73-D75 PolarHBondContact O-N 3.24Å; D75-W85 WeakPolarHBondContact O-CZ2 3.45Å; D75-W85 PolarHBondContact O-NE1 2.78Å; D75-K89 IonicContact OD1-NZ 3.23Å; D75-K89 VanDerWaalsContact OD2-CE 3.28Å; D75-K89 WeakPolarHBondContact OD2-CE 3.4Å; D75-K89 IonicContact OD2-NZ 2.58Å; D75-K89 PolarHBondContact OD2-NZ 3.49Å |
| 76 | C | 62.5 | Low | 66.3 | Low | 40 Ų | 40 | 114.9 Ų | 114.9 | 27% | 0.27 | 63% | 0.631 | S | S | . | * | S | Bend | trans | -101 | 131.6 | 175.4 | -160.4 | 0 | 0 | 0 | 0 | 111.2 | V80 W85 | C76-V80 PolarHBondContact SG-O 2.98Å; C76-W85 HydrophobicContact CB-CG 4.27Å; C76-W85 VanDerWaalsContact SG-CB 3.59Å |
| 77 | L | 75.9 | Confident | 68.1 | Low | 113 Ų | 113 | 118.4 Ų | 118.4 | 59% | 0.592 | 63% | 0.631 | S | S | * | * | P | Polyproline II helix | trans | -64.8 | 140.8 | 174.2 | -67.8 | 171.4 | 0 | 0 | 0 | 110.5 | G79 V80 | L77-G79 PolarHBondContact O-N 3.25Å; L77-V80 HydrophobicContact CB-CG2 4.4Å; L77-V80 PolarHBondContact O-N 3.1Å; L77-V80 VanDerWaalsContact O-N 3.16Å |
| 78 | P | 69.3 | Low | 71 | Confident | 133 Ų | 133 | 117.1 Ų | 117.1 | 86% | 0.864 | 62% | 0.615 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -55.1 | 126.7 | 176.9 | -22 | 31.3 | 0 | 0 | 0 | 111 | ||
| 79 | G | 75.3 | Confident | 73.4 | Confident | 89 Ų | 89 | 114.7 Ų | 114.7 | 92% | 0.918 | 59% | 0.593 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 95.8 | -1.8 | 179.6 | 0 | 0 | 0 | 0 | 0 | 115.7 | L77 | L77-G79 PolarHBondContact O-N 3.25Š|
| 80 | V | 81.3 | Confident | 75.5 | Confident | 60 Ų | 60 | 111.1 Ų | 111.1 | 36% | 0.364 | 58% | 0.577 | S | S | . | * | trans | -101.6 | 127 | 171.3 | -176.7 | 0 | 0 | 0 | 0 | 109.6 | C76 L77 K84 W85 | C76-V80 PolarHBondContact SG-O 2.98Å; L77-V80 HydrophobicContact CB-CG2 4.4Å; L77-V80 PolarHBondContact O-N 3.1Å; L77-V80 VanDerWaalsContact O-N 3.16Å; V80-K84 HydrophobicContact CG1-CB 4.05Å; V80-W85 HydrophobicContact CG1-CB 4.27Å | ||
| 81 | S | 86.6 | Confident | 77.9 | Confident | 63 Ų | 63 | 109.8 Ų | 109.8 | 44% | 0.441 | 57% | 0.574 | S | S | . | * | trans | -62.3 | 138.1 | 172.1 | 167.3 | 0 | 0 | 0 | 0 | 110.3 | E83 K84 W85 | S81-E83 PolarHBondContact O-N 3.48Å; S81-K84 WeakPolarHBondContact O-CB 3.01Å; S81-K84 PolarHBondContact O-N 2.72Å; S81-W85 PolarHBondContact O-N 3.03Å; S81-W85 VanDerWaalsContact O-N 3.1Å | ||
| 82 | E | 85.4 | Confident | 79.6 | Confident | 114 Ų | 114 | 106.4 Ų | 106.4 | 53% | 0.533 | 55% | 0.553 | S | S | . | * | H | α-helix | trans | -53.7 | -37 | -178.8 | -172.8 | 165 | -160.7 | 0 | 0 | 112.8 | K84 W85 Q86 | E82-K84 PolarHBondContact O-N 2.99Å; E82-W85 PolarHBondContact O-N 2.84Å; E82-Q86 WeakPolarHBondContact O-CG 3.47Å; E82-Q86 PolarHBondContact O-N 3.18Å |
| 83 | E | 86.9 | Confident | 81.7 | Confident | 138 Ų | 138 | 106.3 Ų | 106.3 | 65% | 0.645 | 55% | 0.552 | S | S | * | * | H | α-helix | trans | -64 | -41.2 | 176.4 | -64 | -176.7 | 176 | 0 | 0 | 112.6 | S81 W85 Q86 R87 | S81-E83 PolarHBondContact O-N 3.48Å; E83-W85 VanDerWaalsContact C-N 3.29Å; E83-W85 PolarHBondContact O-N 3.49Å; E83-Q86 PolarHBondContact O-N 2.77Å; E83-R87 WeakPolarHBondContact O-CG 3.48Å; E83-R87 PolarHBondContact O-N 2.88Å |
| 84 | K | 90.3 | Very high | 83.3 | Confident | 153 Ų | 153 | 108.5 Ų | 108.5 | 67% | 0.665 | 55% | 0.553 | S | S | * | * | H | α-helix | trans | -67.4 | -36 | 177.3 | -67.9 | -174.6 | 179 | 179.4 | 0 | 110.7 | V80 S81 E82 F88 | V80-K84 HydrophobicContact CG1-CB 4.05Å; S81-K84 WeakPolarHBondContact O-CB 3.01Å; S81-K84 PolarHBondContact O-N 2.72Å; E82-K84 PolarHBondContact O-N 2.99Å; K84-F88 PolarHBondContact O-N 2.93Å |
| 85 | W | 88.2 | Confident | 85.2 | Confident | 50 Ų | 50 | 105.5 Ų | 105.5 | 19% | 0.189 | 53% | 0.532 | C | S | . | . | H | α-helix | trans | -69.5 | -42.9 | 177.1 | -172.1 | -117.4 | 0 | 0 | 0 | 112.7 | D75 C76 V80 S81 E82 E83 R87 F88 K89 | D75-W85 WeakPolarHBondContact O-CZ2 3.45Å; D75-W85 PolarHBondContact O-NE1 2.78Å; C76-W85 HydrophobicContact CB-CG 4.27Å; C76-W85 VanDerWaalsContact SG-CB 3.59Å; V80-W85 HydrophobicContact CG1-CB 4.27Å; S81-W85 PolarHBondContact O-N 3.03Å; S81-W85 VanDerWaalsContact O-N 3.1Å; E82-W85 PolarHBondContact O-N 2.84Å; E83-W85 VanDerWaalsContact C-N 3.29Å; E83-W85 PolarHBondContact O-N 3.49Å; W85-R87 PolarHBondContact O-N 2.78Å; W85-F88 HydrophobicContact CE3-CD1 4.11Å; W85-F88 HydrophobicContact CH2-CD1 4.25Å; W85-F88 HydrophobicContact CH2-CE1 4.36Å; W85-F88 AromaticContact CZ3-CD1 3.8Å; W85-F88 HydrophobicContact CZ3-CD1 3.8Å; W85-F88 HydrophobicContact CZ3-CE1 4.17Å; W85-F88 WeakPolarHBondContact O-CB 3.4Å; W85-F88 PolarHBondContact O-N 3.09Å; W85-F88 VanDerWaalsContact O-N 3.17Å; W85-K89 VanDerWaalsContact NE1-CE 3.34Å; W85-K89 WeakPolarHBondContact O-CG 3.27Å; W85-K89 PolarHBondContact O-N 3.25Å |
| 86 | Q | 91.7 | Very high | 86.2 | Confident | 108 Ų | 108 | 104.3 Ų | 104.3 | 51% | 0.505 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -59.2 | -46.2 | 173.1 | -77.3 | 176.7 | -8.3 | 0 | 0 | 111.4 | E82 E83 F88 K89 E90 | E82-Q86 WeakPolarHBondContact O-CG 3.47Å; E82-Q86 PolarHBondContact O-N 3.18Å; E83-Q86 PolarHBondContact O-N 2.77Å; Q86-F88 VanDerWaalsContact C-N 3.29Å; Q86-F88 PolarHBondContact O-N 3.05Å; Q86-K89 PolarHBondContact O-N 3.04Å; Q86-E90 WeakPolarHBondContact O-CG 3.34Å; Q86-E90 PolarHBondContact O-N 2.58Å |
| 87 | R | 92.5 | Very high | 87.4 | Confident | 176 Ų | 176 | 106.5 Ų | 106.5 | 66% | 0.664 | 53% | 0.532 | S | S | * | . | H | α-helix | trans | -58.9 | -39.1 | 174.6 | -74.7 | -173 | -178.6 | -165.9 | 3.1 | 112.7 | E83 W85 E90 L91 | E83-R87 WeakPolarHBondContact O-CG 3.48Å; E83-R87 PolarHBondContact O-N 2.88Å; W85-R87 PolarHBondContact O-N 2.78Å; R87-E90 PolarHBondContact O-N 3.42Å; R87-L91 VanDerWaalsContact O-CG 3.28Å; R87-L91 WeakPolarHBondContact O-CG 3.42Å; R87-L91 PolarHBondContact O-N 3.17Å |
| 88 | F | 94 | Very high | 87.8 | Confident | 109 Ų | 109 | 105.5 Ų | 105.5 | 48% | 0.478 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -62.9 | -44.8 | 176.5 | 178 | -101.1 | 0 | 0 | 0 | 112.1 | K84 W85 Q86 E90 L91 Q92 | K84-F88 PolarHBondContact O-N 2.93Å; W85-F88 HydrophobicContact CE3-CD1 4.11Å; W85-F88 HydrophobicContact CH2-CD1 4.25Å; W85-F88 HydrophobicContact CH2-CE1 4.36Å; W85-F88 AromaticContact CZ3-CD1 3.8Å; W85-F88 HydrophobicContact CZ3-CD1 3.8Å; W85-F88 HydrophobicContact CZ3-CE1 4.17Å; W85-F88 WeakPolarHBondContact O-CB 3.4Å; W85-F88 PolarHBondContact O-N 3.09Å; W85-F88 VanDerWaalsContact O-N 3.17Å; Q86-F88 VanDerWaalsContact C-N 3.29Å; Q86-F88 PolarHBondContact O-N 3.05Å; F88-E90 PolarHBondContact O-N 3.45Å; F88-L91 PolarHBondContact O-N 3.04Å; F88-Q92 PolarHBondContact O-N 3.38Å |
| 89 | K | 90.9 | Very high | 88.5 | Confident | 75 Ų | 75 | 104.7 Ų | 104.7 | 33% | 0.326 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -64 | -40 | 176.7 | -64.9 | -76.9 | -171.7 | 162.9 | 0 | 111.8 | D75 W85 Q86 Q92 K93 | D75-K89 IonicContact OD1-NZ 3.23Å; D75-K89 VanDerWaalsContact OD2-CE 3.28Å; D75-K89 WeakPolarHBondContact OD2-CE 3.4Å; D75-K89 IonicContact OD2-NZ 2.58Å; D75-K89 PolarHBondContact OD2-NZ 3.49Å; W85-K89 VanDerWaalsContact NE1-CE 3.34Å; W85-K89 WeakPolarHBondContact O-CG 3.27Å; W85-K89 PolarHBondContact O-N 3.25Å; Q86-K89 PolarHBondContact O-N 3.04Å; K89-Q92 PolarHBondContact O-N 3.18Å; K89-K93 PolarHBondContact O-N 3.33Å |
| 90 | E | 93.9 | Very high | 88.7 | Confident | 112 Ų | 112 | 108.6 Ų | 108.6 | 52% | 0.523 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -61.2 | -43.5 | 173.7 | -74.1 | -178.4 | -175.8 | 0 | 0 | 112.5 | Q86 R87 F88 Q92 K93 K94 | Q86-E90 WeakPolarHBondContact O-CG 3.34Å; Q86-E90 PolarHBondContact O-N 2.58Å; R87-E90 PolarHBondContact O-N 3.42Å; F88-E90 PolarHBondContact O-N 3.45Å; E90-Q92 VanDerWaalsContact C-N 3.33Å; E90-Q92 PolarHBondContact O-N 3.03Å; E90-K93 PolarHBondContact O-N 2.96Å; E90-K94 WeakPolarHBondContact O-CG 3.43Å; E90-K94 PolarHBondContact O-N 3.33Å |
| 91 | L | 93.6 | Very high | 88 | Confident | 113 Ų | 113 | 113.6 Ų | 113.6 | 59% | 0.592 | 52% | 0.522 | S | S | * | . | H | α-helix | trans | -63.7 | -39.7 | 176.6 | -73.4 | 171.4 | 0 | 0 | 0 | 111.8 | R87 F88 K94 K95 | R87-L91 VanDerWaalsContact O-CG 3.28Å; R87-L91 WeakPolarHBondContact O-CG 3.42Å; R87-L91 PolarHBondContact O-N 3.17Å; F88-L91 PolarHBondContact O-N 3.04Å; L91-K94 PolarHBondContact O-N 3.49Å; L91-K95 WeakPolarHBondContact O-CB 3.48Å; L91-K95 PolarHBondContact O-N 3.47Å |
| 92 | Q | 89.1 | Confident | 86.8 | Confident | 95 Ų | 95 | 118.4 Ų | 118.4 | 44% | 0.444 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -61.8 | -45.3 | 175.6 | -165.3 | 176.5 | 6.4 | 0 | 0 | 111.2 | F88 K89 E90 K95 D96 | F88-Q92 PolarHBondContact O-N 3.38Å; K89-Q92 PolarHBondContact O-N 3.18Å; E90-Q92 VanDerWaalsContact C-N 3.33Å; E90-Q92 PolarHBondContact O-N 3.03Å; Q92-K95 WeakPolarHBondContact O-CB 3.28Å; Q92-K95 PolarHBondContact O-N 3.41Å; Q92-D96 PolarHBondContact O-N 3.23Å; Q92-D96 VanDerWaalsContact O-N 3.15Å |
| 93 | K | 92.9 | Very high | 85.5 | Confident | 137 Ų | 137 | 119 Ų | 119 | 60% | 0.596 | 54% | 0.541 | S | S | * | . | H | α-helix | trans | -61 | -47 | 176.1 | -170.9 | -177.7 | 176.6 | -174.8 | 0 | 112.2 | K89 E90 K95 D96 E97 | K89-K93 PolarHBondContact O-N 3.33Å; E90-K93 PolarHBondContact O-N 2.96Å; K93-K95 VanDerWaalsContact C-N 3.33Å; K93-K95 PolarHBondContact O-N 2.98Å; K93-D96 PolarHBondContact O-N 2.97Å; K93-D96 VanDerWaalsContact O-N 3.15Å; K93-E97 VanDerWaalsContact CE-OE1 3.26Å; K93-E97 WeakPolarHBondContact CE-OE1 3.28Å; K93-E97 WeakPolarHBondContact O-CG 3.4Å; K93-E97 PolarHBondContact O-N 3.48Å |
| 94 | K | 92.4 | Very high | 83.8 | Confident | 118 Ų | 118 | 117.7 Ų | 117.7 | 51% | 0.513 | 54% | 0.544 | S | S | . | . | H | α-helix | trans | -59.7 | -40.9 | 176.7 | -76.3 | 178.2 | 176.5 | 171.5 | 0 | 112.4 | E90 L91 D96 E97 I98 | E90-K94 WeakPolarHBondContact O-CG 3.43Å; E90-K94 PolarHBondContact O-N 3.33Å; L91-K94 PolarHBondContact O-N 3.49Å; K94-D96 VanDerWaalsContact C-N 3.31Å; K94-D96 PolarHBondContact O-N 3.27Å; K94-E97 PolarHBondContact O-N 3.13Å; K94-I98 WeakPolarHBondContact O-CD1 3.46Å; K94-I98 VanDerWaalsContact O-CG1 3.25Å; K94-I98 WeakPolarHBondContact O-CG1 3.46Å; K94-I98 PolarHBondContact O-N 2.94Å |
| 95 | K | 92.1 | Very high | 82.1 | Confident | 125 Ų | 125 | 119.2 Ų | 119.2 | 54% | 0.543 | 55% | 0.551 | S | S | . | * | H | α-helix | trans | -60.2 | -41.7 | 175.7 | 176.6 | -178 | 168.7 | 179.8 | 0 | 111.7 | L91 Q92 K93 K99 | L91-K95 WeakPolarHBondContact O-CB 3.48Å; L91-K95 PolarHBondContact O-N 3.47Å; Q92-K95 WeakPolarHBondContact O-CB 3.28Å; Q92-K95 PolarHBondContact O-N 3.41Å; K93-K95 VanDerWaalsContact C-N 3.33Å; K93-K95 PolarHBondContact O-N 2.98Å; K95-K99 WeakPolarHBondContact O-CG 3.36Å; K95-K99 PolarHBondContact O-N 3.43Å |
| 96 | D | 85.3 | Confident | 80.4 | Confident | 69 Ų | 69 | 126.1 Ų | 126.1 | 37% | 0.369 | 58% | 0.583 | S | S | . | * | H | α-helix | trans | -73.2 | -34.8 | 179.8 | -68 | -25.4 | 0 | 0 | 0 | 112.5 | Q92 K93 K94 K99 K100 | Q92-D96 PolarHBondContact O-N 3.23Å; Q92-D96 VanDerWaalsContact O-N 3.15Å; K93-D96 PolarHBondContact O-N 2.97Å; K93-D96 VanDerWaalsContact O-N 3.15Å; K94-D96 VanDerWaalsContact C-N 3.31Å; K94-D96 PolarHBondContact O-N 3.27Å; D96-K99 PolarHBondContact O-N 3.29Å; D96-K100 WeakPolarHBondContact O-CB 3.3Å; D96-K100 VanDerWaalsContact O-CG 3.3Å; D96-K100 WeakPolarHBondContact O-CG 3.12Å; D96-K100 PolarHBondContact O-N 2.94Å |
| 97 | E | 88.4 | Confident | 78.3 | Confident | 87 Ų | 87 | 130.7 Ų | 130.7 | 41% | 0.407 | 60% | 0.595 | S | S | . | * | H | α-helix | trans | -62 | -46.7 | 171.2 | -72.9 | 170.3 | -172.9 | 0 | 0 | 111.6 | K93 K94 K99 K100 M101 | K93-E97 VanDerWaalsContact CE-OE1 3.26Å; K93-E97 WeakPolarHBondContact CE-OE1 3.28Å; K93-E97 WeakPolarHBondContact O-CG 3.4Å; K93-E97 PolarHBondContact O-N 3.48Å; K94-E97 PolarHBondContact O-N 3.13Å; E97-K99 VanDerWaalsContact C-N 3.32Å; E97-K99 PolarHBondContact O-N 2.97Å; E97-K100 PolarHBondContact O-N 3.42Å; E97-M101 WeakPolarHBondContact O-CG 3.37Å; E97-M101 PolarHBondContact O-N 3.36Å |
| 98 | I | 84.3 | Confident | 76.3 | Confident | 92 Ų | 92 | 131.9 Ų | 131.9 | 47% | 0.472 | 61% | 0.608 | S | S | . | * | H | α-helix | trans | -61.5 | -41.9 | 176 | -67.1 | 164.2 | 0 | 0 | 0 | 110.8 | K94 M101 K102 | K94-I98 WeakPolarHBondContact O-CD1 3.46Å; K94-I98 VanDerWaalsContact O-CG1 3.25Å; K94-I98 WeakPolarHBondContact O-CG1 3.46Å; K94-I98 PolarHBondContact O-N 2.94Å; I98-M101 PolarHBondContact O-N 3.19Å; I98-K102 HydrophobicContact CG2-CD 4.11Å; I98-K102 WeakPolarHBondContact O-CG 3.47Å; I98-K102 PolarHBondContact O-N 2.98Å; I98-K102 VanDerWaalsContact O-N 3.1Å |
| 99 | K | 83.6 | Confident | 74.2 | Confident | 116 Ų | 116 | 136.8 Ų | 136.8 | 50% | 0.504 | 62% | 0.623 | S | S | . | * | H | α-helix | trans | -62.4 | -40.7 | 175.2 | -79.2 | 178.4 | 175.8 | -175.1 | 0 | 112.4 | K95 D96 E97 K102 | K95-K99 WeakPolarHBondContact O-CG 3.36Å; K95-K99 PolarHBondContact O-N 3.43Å; D96-K99 PolarHBondContact O-N 3.29Å; E97-K99 VanDerWaalsContact C-N 3.32Å; E97-K99 PolarHBondContact O-N 2.97Å; K99-K102 PolarHBondContact O-N 2.95Å |
| 100 | K | 79.4 | Confident | 72.3 | Confident | 171 Ų | 171 | 136.8 Ų | 136.8 | 74% | 0.743 | 65% | 0.645 | S | S | * | * | H | α-helix | trans | -65.8 | -39.2 | 176.9 | -76 | 174 | -178.1 | 178.9 | 0 | 111.9 | D96 E97 | D96-K100 WeakPolarHBondContact O-CB 3.3Å; D96-K100 VanDerWaalsContact O-CG 3.3Å; D96-K100 WeakPolarHBondContact O-CG 3.12Å; D96-K100 PolarHBondContact O-N 2.94Å; E97-K100 PolarHBondContact O-N 3.42Å |
| 101 | M | 67.1 | Low | 69.9 | Low | 164 Ų | 164 | 141.4 Ų | 141.4 | 81% | 0.808 | 66% | 0.664 | S | S | * | * | H | α-helix | trans | -70.5 | -27.6 | 177.6 | -70.9 | -175.1 | 171.8 | 0 | 0 | 113.4 | E97 I98 L103 | E97-M101 WeakPolarHBondContact O-CG 3.37Å; E97-M101 PolarHBondContact O-N 3.36Å; I98-M101 PolarHBondContact O-N 3.19Å; M101-L103 PolarHBondContact O-N 2.96Å |
| 102 | K | 61.1 | Low | 67.8 | Low | 165 Ų | 165 | 147.5 Ų | 147.5 | 72% | 0.717 | 68% | 0.679 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -77.7 | 7.7 | -177.7 | -76.4 | -175.6 | 178.7 | -171.7 | 0 | 115.7 | I98 K99 | I98-K102 HydrophobicContact CG2-CD 4.11Å; I98-K102 WeakPolarHBondContact O-CG 3.47Å; I98-K102 PolarHBondContact O-N 2.98Å; I98-K102 VanDerWaalsContact O-N 3.1Å; K99-K102 PolarHBondContact O-N 2.95Å |
| 103 | L | 58.3 | Low | 65.7 | Low | 126 Ų | 126 | 154.7 Ų | 154.7 | 66% | 0.66 | 70% | 0.702 | S | S | * | * | trans | -119.5 | 86.7 | 179.8 | -81.1 | 159.1 | 0 | 0 | 0 | 113.7 | M101 K105 | M101-L103 PolarHBondContact O-N 2.96Å; L103-K105 HydrophobicContact CD2-CG 4.42Å | ||
| 104 | P | 51 | Low | 63.5 | Low | 110 Ų | 110 | 157.5 Ų | 157.5 | 71% | 0.714 | 72% | 0.717 | S | S | * | * | trans | -93.6 | 100.7 | 139.6 | 29.7 | -25.1 | 0 | 0 | 0 | 108.6 | K106 | P104-K106 PolarHBondContact O-N 3.34Š| ||
| 105 | K | 55.1 | Low | 61 | Low | 186 Ų | 186 | 161.6 Ų | 161.6 | 81% | 0.809 | 73% | 0.734 | S | S | * | * | trans | -56.6 | 106.1 | 166.1 | -78.1 | 179.6 | 175.8 | 176.7 | 0 | 108.6 | L103 R107 | L103-K105 HydrophobicContact CD2-CG 4.42Å; K105-R107 PolarHBondContact O-N 3.37Å | ||
| 106 | K | 51.7 | Low | 58.6 | Low | 195 Ų | 195 | 164 Ų | 164 | 85% | 0.848 | 75% | 0.745 | S | S | * | * | trans | -65.3 | 107 | 170 | -79.8 | -172.7 | 176.9 | -178.3 | 0 | 108.9 | P104 Q108 | P104-K106 PolarHBondContact O-N 3.34Å; K106-Q108 PolarHBondContact O-N 3.45Å | ||
| 107 | R | 48.3 | Very low | 56.5 | Low | 204 Ų | 204 | 167 Ų | 167 | 77% | 0.77 | 76% | 0.761 | S | S | * | * | trans | -65.5 | 112.2 | 166.8 | -70.8 | 169.5 | 66.5 | -176 | 4.6 | 108.1 | K105 R109 | K105-R107 PolarHBondContact O-N 3.37Å; R107-R109 PolarHBondContact O-N 3.11Å; R107-R109 VanDerWaalsContact O-N 3.1Å | ||
| 108 | Q | 50.9 | Low | 54.1 | Low | 200 Ų | 200 | 169.7 Ų | 169.7 | 94% | 0.935 | 78% | 0.778 | S | S | * | * | trans | -67.7 | 105.4 | 166.8 | -73.6 | -173.6 | -5.8 | 0 | 0 | 108.7 | K106 | K106-Q108 PolarHBondContact O-N 3.45Š| ||
| 109 | R | 48.2 | Very low | 52.1 | Low | 212 Ų | 212 | 173.7 Ų | 173.7 | 80% | 0.8 | 80% | 0.795 | S | S | * | * | trans | -97.5 | 111.6 | 161.8 | -88.4 | -177.8 | 158.1 | -176.9 | -5.8 | 107.2 | R107 | R107-R109 PolarHBondContact O-N 3.11Å; R107-R109 VanDerWaalsContact O-N 3.1Å | ||
| 110 | G | 52.2 | Low | 50.3 | Low | 76 Ų | 76 | 173.8 Ų | 173.8 | 78% | 0.784 | 81% | 0.81 | S | S | * | * | trans | -59 | 143.2 | 175.3 | 0 | 0 | 0 | 0 | 0 | 112 | ||||
| 111 | K | 42.2 | Very low | 48.2 | Very low | 209 Ų | 209 | 168.5 Ų | 168.5 | 91% | 0.909 | 80% | 0.804 | S | S | * | * | trans | -138.2 | 102.3 | 163 | -92 | -175.2 | 173.4 | -178.4 | 0 | 109.2 | ||||
| 112 | R | 49.9 | Very low | 47.3 | Very low | 241 Ų | 241 | 168.1 Ų | 168.1 | 91% | 0.909 | 81% | 0.812 | S | S | * | * | trans | -66.1 | 133.1 | 145.6 | -82.5 | 178.3 | 162.9 | 177 | -5.4 | 107.7 | ||||
| 113 | R | 45.9 | Very low | 46.4 | Very low | 245 Ų | 245 | 169.1 Ų | 169.1 | 93% | 0.925 | 82% | 0.816 | S | S | * | * | 173.7 | 125 | 130 | -93.3 | 166.6 | -171.1 | -159.2 | 2.2 | 110.2 | |||||
| 114 | H | 45.3 | Very low | 45.7 | Very low | 197 Ų | 197 | 170 Ų | 170 | 91% | 0.912 | 82% | 0.821 | S | S | * | * | trans | -55.5 | 141.4 | 161.4 | -81.2 | -94.2 | 0 | 0 | 0 | 111 | ||||
| 115 | K | 41.3 | Very low | 45.4 | Very low | 204 Ų | 204 | 172.5 Ų | 172.5 | 89% | 0.887 | 83% | 0.825 | S | S | * | * | trans | -156.4 | 132.2 | 137.2 | -165.6 | 121.9 | 176.9 | -179.5 | 0 | 109.6 | ||||
| 116 | K | 42.3 | Very low | 45.2 | Very low | 175 Ų | 175 | 171.7 Ų | 171.7 | 76% | 0.761 | 83% | 0.825 | S | S | * | * | trans | -79.1 | 160.1 | 172.5 | -100.1 | -169.7 | 177.2 | -170.4 | 0 | 111.1 | ||||
| 117 | D | 39.4 | Very low | 45 | Very low | 131 Ų | 131 | 165.9 Ų | 165.9 | 70% | 0.701 | 81% | 0.808 | S | S | * | * | trans | 93.9 | 129.3 | 151.5 | -50.4 | -30.8 | 0 | 0 | 0 | 121 | ||||
| 118 | D | 38.7 | Very low | 44.8 | Very low | 145 Ų | 145 | 163.5 Ų | 163.5 | 78% | 0.775 | 81% | 0.811 | S | S | * | * | trans | 81.6 | 106.7 | 147.8 | -61.1 | -27.5 | 0 | 0 | 0 | 124.1 | ||||
| 119 | E | 42.2 | Very low | 44.7 | Very low | 175 Ų | 175 | 160.1 Ų | 160.1 | 82% | 0.818 | 80% | 0.799 | S | S | * | * | 68.6 | 123 | 118.8 | -140.1 | 174.5 | -164.6 | 0 | 0 | 121.7 | |||||
| 120 | S | 45.7 | Very low | 45 | Very low | 118 Ų | 118 | 158.2 Ų | 158.2 | 83% | 0.825 | 80% | 0.799 | S | S | * | * | trans | 69.9 | 118.3 | 155.3 | 74.8 | 0 | 0 | 0 | 0 | 118.8 | ||||
| 121 | G | 34.9 | Very low | 45.2 | Very low | 61 Ų | 61 | 165.4 Ų | 165.4 | 63% | 0.629 | 80% | 0.803 | S | S | * | * | trans | 161.8 | 84 | 168.1 | 0 | 0 | 0 | 0 | 0 | 111.4 | K123 | G121-K123 PolarHBondContact O-N 3.19Š| ||
| 122 | T | 49.2 | Very low | 46 | Very low | 156 Ų | 156 | 162.2 Ų | 162.2 | 96% | 0.957 | 79% | 0.791 | S | S | * | * | trans | -45.5 | 106 | 161.7 | 29.5 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 123 | K | 41.4 | Very low | 46.6 | Very low | 185 Ų | 185 | 153.9 Ų | 153.9 | 80% | 0.804 | 77% | 0.768 | S | S | * | * | trans | -134.1 | 115.3 | 163.4 | -65.4 | -176.2 | -173.7 | 173.3 | 0 | 106.3 | G121 M125 | G121-K123 PolarHBondContact O-N 3.19Å; K123-M125 PolarHBondContact O-N 3.28Å | ||
| 124 | N | 44.9 | Very low | 47.7 | Very low | 146 Ų | 146 | 148 Ų | 148 | 78% | 0.781 | 75% | 0.751 | S | S | * | * | trans | -39.1 | 109 | 170.2 | -150.4 | 4.9 | 0 | 0 | 0 | 109.5 | E126 | N124-E126 PolarHBondContact O-N 3.49Š| ||
| 125 | M | 43.8 | Very low | 49.2 | Very low | 161 Ų | 161 | 140.7 Ų | 140.7 | 79% | 0.793 | 73% | 0.725 | S | S | * | * | trans | -89.1 | 60 | -178.9 | -110.6 | -65.4 | -176.4 | 0 | 0 | 109.3 | K123 S127 | K123-M125 PolarHBondContact O-N 3.28Å; M125-S127 VanDerWaalsContact C-N 3.28Å; M125-S127 PolarHBondContact O-N 2.97Å; M125-S127 PolarHBondContact SD-OG 2.99Å | ||
| 126 | E | 50.9 | Low | 51.2 | Low | 170 Ų | 170 | 137 Ų | 137 | 79% | 0.794 | 71% | 0.711 | S | S | * | * | trans | -86.7 | 77.4 | 158.9 | -84 | 172 | 157.2 | 0 | 0 | 107.5 | N124 | N124-E126 PolarHBondContact O-N 3.49Š| ||
| 127 | S | 47.2 | Very low | 53 | Low | 72 Ų | 72 | 133.4 Ų | 133.4 | 50% | 0.503 | 70% | 0.697 | S | S | . | * | S | Bend | trans | -152.4 | 116.8 | 163.4 | 66.5 | 0 | 0 | 0 | 0 | 112.8 | M125 | M125-S127 VanDerWaalsContact C-N 3.28Å; M125-S127 PolarHBondContact O-N 2.97Å; M125-S127 PolarHBondContact SD-OG 2.99Å |
| 128 | N | 44.4 | Very low | 55.1 | Low | 155 Ų | 155 | 130.8 Ų | 130.8 | 83% | 0.829 | 68% | 0.683 | S | S | * | * | S | Bend | trans | 71.8 | 37.6 | 154.5 | -79.2 | -34.4 | 0 | 0 | 0 | 120.1 | ||
| 129 | N | 48.8 | Very low | 57.4 | Low | 128 Ų | 128 | 130.8 Ų | 130.8 | 68% | 0.684 | 68% | 0.676 | S | S | * | * | trans | -98.7 | 11.7 | 166.3 | -86.3 | -21 | 0 | 0 | 0 | 115 | R131 P133 | N129-R131 PolarHBondContact O-N 3.42Å; N129-P133 WeakPolarHBondContact O-CD 3.48Å; N129-P133 WeakPolarHBondContact O-CG 3.28Å | ||
| 130 | E | 54.5 | Low | 59.6 | Low | 173 Ų | 173 | 127.2 Ų | 127.2 | 81% | 0.808 | 66% | 0.659 | S | S | * | * | S | Bend | trans | -79.1 | -13.6 | -177.7 | -65.4 | -178.3 | 176.8 | 0 | 0 | 114.5 | ||
| 131 | R | 56.7 | Low | 61.7 | Low | 227 Ų | 227 | 125.9 Ų | 125.9 | 86% | 0.857 | 64% | 0.636 | S | S | * | * | H | α-helix | trans | -89.4 | -31.1 | -176.6 | -97.1 | -175.4 | -170.9 | -171.3 | 0 | 115.7 | N129 | N129-R131 PolarHBondContact O-N 3.42Å |
| 132 | E | 58.8 | Low | 64.3 | Low | 141 Ų | 141 | 128.3 Ų | 128.3 | 66% | 0.659 | 64% | 0.635 | S | S | * | * | H | α-helix | trans | -76.4 | -38.6 | 177.5 | -67.3 | -155 | 150 | 0 | 0 | 115 | Q134 A135 E136 | E132-Q134 VanDerWaalsContact C-N 3.29Å; E132-Q134 PolarHBondContact O-N 3.5Å; E132-A135 PolarHBondContact O-N 3.11Å; E132-E136 PolarHBondContact O-N 2.87Å |
| 133 | P | 62.7 | Low | 66.3 | Low | 67 Ų | 67 | 122.5 Ų | 122.5 | 44% | 0.435 | 61% | 0.605 | S | S | . | * | H | α-helix | trans | -68.5 | -29.4 | -177.7 | 25.5 | -33.4 | 0 | 0 | 0 | 112.4 | N129 E136 H137 | N129-P133 WeakPolarHBondContact O-CD 3.48Å; N129-P133 WeakPolarHBondContact O-CG 3.28Å; P133-E136 PolarHBondContact O-N 3.32Å; P133-H137 WeakPolarHBondContact O-CB 3.38Å; P133-H137 PolarHBondContact O-N 3.23Å |
| 134 | Q | 68.1 | Low | 68.7 | Low | 120 Ų | 120 | 113.9 Ų | 113.9 | 56% | 0.561 | 57% | 0.568 | S | S | * | * | H | α-helix | trans | -63.3 | -46.7 | 177.9 | -157.6 | 86.4 | 7.4 | 0 | 0 | 111 | E132 E136 H137 D138 | E132-Q134 VanDerWaalsContact C-N 3.29Å; E132-Q134 PolarHBondContact O-N 3.5Å; Q134-E136 VanDerWaalsContact C-N 3.32Å; Q134-E136 PolarHBondContact O-N 3Å; Q134-H137 PolarHBondContact O-N 3.27Å; Q134-D138 WeakPolarHBondContact O-CB 3.46Å; Q134-D138 PolarHBondContact O-N 3.06Å |
| 135 | A | 76.8 | Confident | 71 | Confident | 44 Ų | 44 | 110.2 Ų | 110.2 | 36% | 0.364 | 55% | 0.551 | S | S | . | * | H | α-helix | trans | -68.9 | -30.1 | -177.9 | 0 | 0 | 0 | 0 | 0 | 112.9 | E132 K139 | E132-A135 PolarHBondContact O-N 3.11Å; A135-K139 WeakPolarHBondContact O-CD 3.45Å; A135-K139 WeakPolarHBondContact O-CG 3.33Å; A135-K139 PolarHBondContact O-N 3.3Å |
| 136 | E | 83 | Confident | 73.4 | Confident | 127 Ų | 127 | 109.3 Ų | 109.3 | 59% | 0.593 | 55% | 0.545 | S | S | * | . | H | α-helix | trans | -74.8 | -41.8 | 174.2 | -67.7 | -178.8 | 172.7 | 0 | 0 | 111.9 | E132 P133 Q134 K139 H140 | E132-E136 PolarHBondContact O-N 2.87Å; P133-E136 PolarHBondContact O-N 3.32Å; Q134-E136 VanDerWaalsContact C-N 3.32Å; Q134-E136 PolarHBondContact O-N 3Å; E136-K139 PolarHBondContact O-N 2.96Å; E136-H140 PolarHBondContact O-N 3.19Å |
| 137 | H | 81.5 | Confident | 75.4 | Confident | 100 Ų | 100 | 103.4 Ų | 103.4 | 46% | 0.463 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -61.2 | -44.9 | 174.5 | -175.8 | -104.3 | 0 | 0 | 0 | 111.1 | P133 Q134 K139 H140 W141 | P133-H137 WeakPolarHBondContact O-CB 3.38Å; P133-H137 PolarHBondContact O-N 3.23Å; Q134-H137 PolarHBondContact O-N 3.27Å; H137-K139 PolarHBondContact O-N 3.13Å; H137-H140 WeakPolarHBondContact O-CB 3.49Å; H137-H140 PolarHBondContact O-N 3.19Å; H137-H140 VanDerWaalsContact O-N 3.12Å; H137-W141 AromaticContact CD2-CD1 3.97Å; H137-W141 AromaticContact CD2-NE1 3.44Å; H137-W141 PolarHBondContact CD2-NE1 2.93Å; H137-W141 AromaticContact CE1-CD1 3.37Å; H137-W141 AromaticContact CE1-CE2 3.99Å; H137-W141 AromaticContact CE1-NE1 2.84Å; H137-W141 PolarHBondContact CE1-NE1 3.34Å; H137-W141 AromaticContact CG-CD1 3.77Å; H137-W141 AromaticContact CG-NE1 3.69Å; H137-W141 AromaticContact ND1-CD1 3.34Å; H137-W141 VanDerWaalsContact ND1-CD1 3.34Å; H137-W141 AromaticContact ND1-NE1 3.32Å; H137-W141 PolarHBondContact ND1-NE1 2.89Å; H137-W141 AromaticContact NE2-CD1 3.73Å; H137-W141 AromaticContact NE2-CE2 3.89Å; H137-W141 AromaticContact NE2-NE1 2.88Å; H137-W141 PolarHBondContact NE2-NE1 3.42Å; H137-W141 PolarHBondContact O-N 3.09Å |
| 138 | D | 83.9 | Confident | 77.6 | Confident | 76 Ų | 76 | 103.3 Ų | 103.3 | 41% | 0.406 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -60.7 | -44.1 | 177.4 | -64.4 | -19.3 | 0 | 0 | 0 | 111.3 | Q134 H140 W141 D142 | Q134-D138 WeakPolarHBondContact O-CB 3.46Å; Q134-D138 PolarHBondContact O-N 3.06Å; D138-H140 VanDerWaalsContact C-N 3.31Å; D138-H140 PolarHBondContact O-N 3.26Å; D138-W141 PolarHBondContact O-N 3.43Å; D138-D142 WeakPolarHBondContact O-CB 3.41Å; D138-D142 VanDerWaalsContact O-CG 3.3Å; D138-D142 PolarHBondContact O-N 2.94Å |
| 139 | K | 86.8 | Confident | 79.8 | Confident | 145 Ų | 145 | 97.7 Ų | 97.7 | 63% | 0.63 | 49% | 0.485 | S | S | * | . | H | α-helix | trans | -62.4 | -37.7 | 174.2 | -69.6 | 165.6 | -168.6 | 173.6 | 0 | 112.6 | A135 E136 H137 G143 | A135-K139 WeakPolarHBondContact O-CD 3.45Å; A135-K139 WeakPolarHBondContact O-CG 3.33Å; A135-K139 PolarHBondContact O-N 3.3Å; E136-K139 PolarHBondContact O-N 2.96Å; H137-K139 PolarHBondContact O-N 3.13Å; K139-G143 PolarHBondContact O-N 2.9Å |
| 140 | H | 87.4 | Confident | 81.7 | Confident | 100 Ų | 100 | 95.2 Ų | 95.2 | 46% | 0.463 | 47% | 0.471 | S | S | . | . | H | α-helix | trans | -63.1 | -44.6 | 176.7 | -177 | 86 | 0 | 0 | 0 | 111.1 | E136 H137 D138 L144 R207 | E136-H140 PolarHBondContact O-N 3.19Å; H137-H140 WeakPolarHBondContact O-CB 3.49Å; H137-H140 PolarHBondContact O-N 3.19Å; H137-H140 VanDerWaalsContact O-N 3.12Å; D138-H140 VanDerWaalsContact C-N 3.31Å; D138-H140 PolarHBondContact O-N 3.26Å; H140-L144 PolarHBondContact O-N 3.41Å; H140-L144 VanDerWaalsContact O-N 3.16Å; H140-R207 PolarHBondContact CE1-NH1 3.37Å |
| 141 | W | 90.4 | Very high | 83.4 | Confident | 89 Ų | 89 | 90.2 Ų | 90.2 | 34% | 0.337 | 45% | 0.45 | S | S | . | . | H | α-helix | trans | -67.8 | -43.5 | 175.9 | -73.8 | 110.1 | 0 | 0 | 0 | 112.6 | H137 D138 G143 L144 T145 I200 | H137-W141 AromaticContact CD2-CD1 3.97Å; H137-W141 AromaticContact CD2-NE1 3.44Å; H137-W141 PolarHBondContact CD2-NE1 2.93Å; H137-W141 AromaticContact CE1-CD1 3.37Å; H137-W141 AromaticContact CE1-CE2 3.99Å; H137-W141 AromaticContact CE1-NE1 2.84Å; H137-W141 PolarHBondContact CE1-NE1 3.34Å; H137-W141 AromaticContact CG-CD1 3.77Å; H137-W141 AromaticContact CG-NE1 3.69Å; H137-W141 AromaticContact ND1-CD1 3.34Å; H137-W141 VanDerWaalsContact ND1-CD1 3.34Å; H137-W141 AromaticContact ND1-NE1 3.32Å; H137-W141 PolarHBondContact ND1-NE1 2.89Å; H137-W141 AromaticContact NE2-CD1 3.73Å; H137-W141 AromaticContact NE2-CE2 3.89Å; H137-W141 AromaticContact NE2-NE1 2.88Å; H137-W141 PolarHBondContact NE2-NE1 3.42Å; H137-W141 PolarHBondContact O-N 3.09Å; D138-W141 PolarHBondContact O-N 3.43Å; W141-G143 VanDerWaalsContact C-N 3.28Å; W141-G143 PolarHBondContact O-N 3.3Å; W141-L144 HydrophobicContact CE3-CD2 4.15Å; W141-L144 HydrophobicContact CZ3-CD2 3.95Å; W141-L144 PolarHBondContact O-N 3.07Å; W141-T145 WeakPolarHBondContact O-CG2 3.35Å; W141-T145 PolarHBondContact O-N 3.15Å; W141-I200 HydrophobicContact CH2-CD1 3.93Å; W141-I200 HydrophobicContact CH2-CG2 4.41Å; W141-I200 HydrophobicContact CZ3-CD1 3.88Å; W141-I200 HydrophobicContact CZ3-CG1 4.06Å; W141-I200 HydrophobicContact CZ3-CG2 4.27Å |
| 142 | D | 89.6 | Confident | 84.9 | Confident | 113 Ų | 113 | 83.5 Ų | 83.5 | 60% | 0.604 | 43% | 0.431 | S | S | * | . | H | α-helix | trans | -55.8 | -45.8 | 176.8 | -76.8 | -12.2 | 0 | 0 | 0 | 110.6 | D138 L144 T145 | D138-D142 WeakPolarHBondContact O-CB 3.41Å; D138-D142 VanDerWaalsContact O-CG 3.3Å; D138-D142 PolarHBondContact O-N 2.94Å; D142-L144 VanDerWaalsContact C-N 3.33Å; D142-L144 PolarHBondContact O-N 3.48Å; D142-T145 PolarHBondContact O-N 3.44Å; D142-T145 PolarHBondContact O-OG1 3.03Å |
| 143 | G | 90.6 | Very high | 86.3 | Confident | 33 Ų | 33 | 87.5 Ų | 87.5 | 34% | 0.34 | 44% | 0.44 | S | S | . | . | H | α-helix | trans | -63.8 | -35 | 176.2 | 0 | 0 | 0 | 0 | 0 | 113.7 | K139 W141 Y147 | K139-G143 PolarHBondContact O-N 2.9Å; W141-G143 VanDerWaalsContact C-N 3.28Å; W141-G143 PolarHBondContact O-N 3.3Å; G143-Y147 VanDerWaalsContact O-CD2 3.24Å; G143-Y147 WeakPolarHBondContact O-CD2 3.46Å; G143-Y147 WeakPolarHBondContact O-CE2 3.36Å |
| 144 | L | 92.8 | Very high | 87.4 | Confident | 4 Ų | 4 | 92.3 Ų | 92.3 | 2% | 0.021 | 45% | 0.454 | C | S | . | . | H | α-helix | trans | -75.5 | -36.9 | 178.7 | -167.4 | 63.7 | 0 | 0 | 0 | 112.3 | H140 W141 D142 Q146 Y147 I200 A203 A204 | H140-L144 PolarHBondContact O-N 3.41Å; H140-L144 VanDerWaalsContact O-N 3.16Å; W141-L144 HydrophobicContact CE3-CD2 4.15Å; W141-L144 HydrophobicContact CZ3-CD2 3.95Å; W141-L144 PolarHBondContact O-N 3.07Å; D142-L144 VanDerWaalsContact C-N 3.33Å; D142-L144 PolarHBondContact O-N 3.48Å; L144-Q146 PolarHBondContact O-N 3.4Å; L144-Y147 PolarHBondContact O-N 3.32Å; L144-I200 HydrophobicContact CD2-CG2 3.96Å; L144-A203 VanDerWaalsContact CD1-C 3.49Å; L144-A203 HydrophobicContact CD1-CB 3.69Å; L144-A203 HydrophobicContact CG-CB 3.88Å; L144-A204 HydrophobicContact CD1-CB 4.23Å |
| 145 | T | 92.8 | Very high | 88.2 | Confident | 69 Ų | 69 | 92.3 Ų | 92.3 | 42% | 0.423 | 46% | 0.455 | S | S | . | . | H | α-helix | trans | -62 | -27.6 | -177.1 | 62.5 | 0 | 0 | 0 | 0 | 113.2 | W141 D142 Y147 F148 | W141-T145 WeakPolarHBondContact O-CG2 3.35Å; W141-T145 PolarHBondContact O-N 3.15Å; D142-T145 PolarHBondContact O-N 3.44Å; D142-T145 PolarHBondContact O-OG1 3.03Å; T145-Y147 PolarHBondContact O-N 3.43Å; T145-F148 VanDerWaalsContact CA-CD2 3.43Å; T145-F148 HydrophobicContact CG2-CD2 4.09Å; T145-F148 HydrophobicContact CG2-CE2 3.73Å; T145-F148 PolarHBondContact O-N 2.99Å; T145-F148 VanDerWaalsContact O-N 3.15Å |
| 146 | Q | 92.8 | Very high | 88.5 | Confident | 143 Ų | 143 | 95.4 Ų | 95.4 | 67% | 0.668 | 47% | 0.471 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.3 | -27.6 | 173 | -175.1 | 176.1 | 0.3 | 0 | 0 | 112.9 | L144 | L144-Q146 PolarHBondContact O-N 3.4Š|
| 147 | Y | 93.9 | Very high | 88.6 | Confident | 45 Ų | 45 | 94.9 Ų | 94.9 | 18% | 0.176 | 48% | 0.479 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -91.5 | -5.4 | -177.8 | -59.4 | -82.5 | 0 | 0 | 0 | 114 | G143 L144 T145 G149 I150 C206 R207 V210 | G143-Y147 VanDerWaalsContact O-CD2 3.24Å; G143-Y147 WeakPolarHBondContact O-CD2 3.46Å; G143-Y147 WeakPolarHBondContact O-CE2 3.36Å; L144-Y147 PolarHBondContact O-N 3.32Å; T145-Y147 PolarHBondContact O-N 3.43Å; Y147-G149 PolarHBondContact O-N 3.43Å; Y147-I150 HydrophobicContact CD1-CD1 3.78Å; Y147-I150 HydrophobicContact CG-CD1 4.37Å; Y147-C206 HydrophobicContact CD1-CB 3.81Å; Y147-C206 HydrophobicContact CG-CB 4.21Å; Y147-R207 HydrophobicContact CD2-CB 4.08Å; Y147-R207 HydrophobicContact CE2-CB 3.85Å; Y147-R207 HydrophobicContact CE2-CG 4Å; Y147-V210 HydrophobicContact CE1-CG2 4.15Å |
| 148 | F | 94.1 | Very high | 88.5 | Confident | 70 Ų | 70 | 95.4 Ų | 95.4 | 31% | 0.307 | 50% | 0.5 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -65.2 | 135 | 174.5 | -72.1 | -50.1 | 0 | 0 | 0 | 111.4 | T145 I150 K199 I200 A203 | T145-F148 VanDerWaalsContact CA-CD2 3.43Å; T145-F148 HydrophobicContact CG2-CD2 4.09Å; T145-F148 HydrophobicContact CG2-CE2 3.73Å; T145-F148 PolarHBondContact O-N 2.99Å; T145-F148 VanDerWaalsContact O-N 3.15Å; F148-I150 PolarHBondContact O-N 3.15Å; F148-I150 VanDerWaalsContact O-N 3.14Å; F148-K199 HydrophobicContact CD1-CB 3.89Å; F148-K199 HydrophobicContact CE1-CB 3.72Å; F148-K199 WeakPolarHBondContact CE1-O 3.26Å; F148-I200 HydrophobicContact CE1-CG1 4.15Å; F148-I200 HydrophobicContact CZ-CG1 3.95Å; F148-A203 HydrophobicContact CD1-CB 3.99Å; F148-A203 HydrophobicContact CE1-CB 4Å |
| 149 | G | 90.1 | Very high | 88.2 | Confident | 38 Ų | 38 | 96.1 Ų | 96.1 | 39% | 0.392 | 51% | 0.51 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 71.1 | 1.8 | 173.8 | 0 | 0 | 0 | 0 | 0 | 115.8 | Y147 N151 D152 | Y147-G149 PolarHBondContact O-N 3.43Å; G149-N151 PolarHBondContact O-N 3.15Å; G149-D152 WeakPolarHBondContact CA-OD2 3.49Å; G149-D152 WeakPolarHBondContact O-CB 3.06Å; G149-D152 PolarHBondContact O-N 3.44Å |
| 150 | I | 89.3 | Confident | 87.9 | Confident | 76 Ų | 76 | 101 Ų | 101 | 39% | 0.39 | 53% | 0.526 | S | S | . | . | G | 310 helix | trans | -57.7 | -39.8 | 174.8 | -66 | -175.8 | 0 | 0 | 0 | 110.6 | Y147 F148 | Y147-I150 HydrophobicContact CD1-CD1 3.78Å; Y147-I150 HydrophobicContact CG-CD1 4.37Å; F148-I150 PolarHBondContact O-N 3.15Å; F148-I150 VanDerWaalsContact O-N 3.14Å |
| 151 | N | 88.9 | Confident | 87.8 | Confident | 68 Ų | 68 | 104.3 Ų | 104.3 | 36% | 0.364 | 54% | 0.539 | S | S | . | . | G | 310 helix | trans | -82.6 | -10.4 | -178 | -73.6 | -14.4 | 0 | 0 | 0 | 114.4 | G149 R153 F154 | G149-N151 PolarHBondContact O-N 3.15Å; N151-R153 PolarHBondContact O-N 2.96Å; N151-R153 VanDerWaalsContact O-N 3.13Å; N151-F154 HydrophobicContact CB-CD2 4.49Å; N151-F154 PolarHBondContact O-N 2.96Å |
| 152 | D | 88.6 | Confident | 87.5 | Confident | 85 Ų | 85 | 105.9 Ų | 105.9 | 46% | 0.455 | 56% | 0.561 | S | S | . | * | G | 310 helix | trans | -63.8 | -23.8 | -178.4 | -69.4 | -10.2 | 0 | 0 | 0 | 112 | G149 F154 Q155 | G149-D152 WeakPolarHBondContact CA-OD2 3.49Å; G149-D152 WeakPolarHBondContact O-CB 3.06Å; G149-D152 PolarHBondContact O-N 3.44Å; D152-F154 PolarHBondContact O-N 3.33Å; D152-Q155 WeakPolarHBondContact O-CB 3.21Å; D152-Q155 PolarHBondContact O-N 3.3Å; D152-Q155 VanDerWaalsContact O-N 3.11Å; D152-Q155 PolarHBondContact OD1-NE2 3.14Å |
| 153 | R | 88 | Confident | 87.3 | Confident | 225 Ų | 225 | 104.4 Ų | 104.4 | 85% | 0.849 | 56% | 0.564 | S | S | * | * | G | 310 helix | trans | -64.9 | -23.9 | 174.2 | -62.1 | 179.3 | -178.1 | -128.1 | 0.5 | 113.6 | N151 | N151-R153 PolarHBondContact O-N 2.96Å; N151-R153 VanDerWaalsContact O-N 3.13Å |
| 154 | F | 85.5 | Confident | 87.3 | Confident | 168 Ų | 168 | 108.9 Ų | 108.9 | 74% | 0.737 | 59% | 0.587 | S | S | * | * | G | 310 helix | trans | -91.1 | -5.2 | 177.4 | -57.5 | -68.3 | 0 | 0 | 0 | 112.3 | N151 D152 | N151-F154 HydrophobicContact CB-CD2 4.49Å; N151-F154 PolarHBondContact O-N 2.96Å; D152-F154 PolarHBondContact O-N 3.33Å |
| 155 | Q | 85 | Confident | 87.3 | Confident | 121 Ų | 121 | 113.4 Ų | 113.4 | 57% | 0.565 | 61% | 0.607 | S | S | * | * | S | Bend | trans | -69.7 | 137 | 170.8 | -63.5 | -173.2 | 15.8 | 0 | 0 | 108.9 | D152 | D152-Q155 WeakPolarHBondContact O-CB 3.21Å; D152-Q155 PolarHBondContact O-N 3.3Å; D152-Q155 VanDerWaalsContact O-N 3.11Å; D152-Q155 PolarHBondContact OD1-NE2 3.14Å |
| 156 | P | 84.5 | Confident | 87.3 | Confident | 108 Ų | 108 | 112 Ų | 112 | 70% | 0.701 | 60% | 0.599 | S | S | * | * | P | Polyproline II helix | trans | -57.4 | 145.6 | 175.7 | 25.1 | -33.1 | 0 | 0 | 0 | 109.3 | A158 | P156-A158 PolarHBondContact O-N 3.47Š|
| 157 | P | 83.4 | Confident | 87.4 | Confident | 117 Ų | 117 | 109.6 Ų | 109.6 | 76% | 0.76 | 60% | 0.599 | S | S | * | * | P | Polyproline II helix | trans | -49.8 | 145.5 | 173.2 | -24.5 | 32.4 | 0 | 0 | 0 | 110.4 | C159 | P157-C159 PolarHBondContact O-N 3.16Š|
| 158 | A | 80.9 | Confident | 87.5 | Confident | 110 Ų | 110 | 109 Ų | 109 | 91% | 0.909 | 60% | 0.599 | S | S | * | * | trans | -48.2 | 108.2 | 178.1 | 0 | 0 | 0 | 0 | 0 | 109.5 | P156 | P156-A158 PolarHBondContact O-N 3.47Š| ||
| 159 | C | 77.6 | Confident | 87.5 | Confident | 91 Ų | 91 | 108.7 Ų | 108.7 | 62% | 0.615 | 60% | 0.598 | S | S | * | * | trans | -76.8 | 156.7 | -177.3 | 53.5 | 0 | 0 | 0 | 0 | 109.7 | P157 K161 | P157-C159 PolarHBondContact O-N 3.16Å; C159-K161 PolarHBondContact O-N 3.48Å; C159-K161 PolarHBondContact SG-O 3.04Å | ||
| 160 | Y | 79.5 | Confident | 87.9 | Confident | 248 Ų | 248 | 112.5 Ų | 112.5 | 97% | 0.973 | 60% | 0.604 | S | S | * | * | S | Bend | trans | -57.3 | -19.1 | -179.2 | -64.4 | -80.4 | 0 | 0 | 0 | 114 | ||
| 161 | K | 85.4 | Confident | 88.2 | Confident | 170 Ų | 170 | 110.9 Ų | 110.9 | 74% | 0.739 | 60% | 0.599 | S | S | * | * | S | Bend | trans | -108 | 125.6 | 175.3 | -64.6 | -179.1 | -178.3 | 179.8 | 0 | 108.3 | C159 | C159-K161 PolarHBondContact O-N 3.48Å; C159-K161 PolarHBondContact SG-O 3.04Å |
| 162 | P | 84.1 | Confident | 88.7 | Confident | 121 Ų | 121 | 109 Ų | 109 | 79% | 0.786 | 59% | 0.589 | S | S | * | * | P | Polyproline II helix | trans | -61.7 | 152 | 175 | 27.3 | -33.8 | 0 | 0 | 0 | 110.2 | ||
| 163 | A | 86.1 | Confident | 89.1 | Confident | 82 Ų | 82 | 109.1 Ų | 109.1 | 68% | 0.678 | 59% | 0.586 | S | S | * | * | P | Polyproline II helix | trans | -54.7 | 147.4 | 170.6 | 0 | 0 | 0 | 0 | 0 | 110.1 | K165 | A163-K165 PolarHBondContact O-N 3.44Š|
| 164 | P | 89.6 | Confident | 89.5 | Confident | 127 Ų | 127 | 101.4 Ų | 101.4 | 83% | 0.825 | 57% | 0.567 | S | S | * | * | P | Polyproline II helix | trans | -59.8 | 132.3 | 176.6 | 25.3 | -33.4 | 0 | 0 | 0 | 109.9 | ||
| 165 | K | 92.7 | Very high | 90.1 | Very high | 100 Ų | 100 | 93.5 Ų | 93.5 | 44% | 0.435 | 53% | 0.533 | S | S | . | . | P | Polyproline II helix | trans | -60.7 | 139.4 | -178.5 | -59.2 | -173.1 | -169.9 | -179.7 | 0 | 111.9 | A163 E169 K170 E173 | A163-K165 PolarHBondContact O-N 3.44Å; K165-E169 WeakPolarHBondContact CA-OE2 3.34Å; K165-E169 HydrophobicContact CB-CB 4.28Å; K165-E169 VanDerWaalsContact CB-OE2 3.3Å; K165-E169 WeakPolarHBondContact CB-OE2 3.32Å; K165-K170 HydrophobicContact CB-CG 4.23Å; K165-K170 WeakPolarHBondContact O-CE 3.48Å; K165-E173 VanDerWaalsContact CD-OE1 3.28Å; K165-E173 WeakPolarHBondContact CD-OE1 3.43Å; K165-E173 WeakPolarHBondContact CE-OE1 3.46Å; K165-E173 IonicContact NZ-OE1 3.36Å; K165-E173 PolarHBondContact NZ-OE1 3.18Å; K165-E173 IonicContact NZ-OE2 2.62Å; K165-E173 PolarHBondContact NZ-OE2 3.15Å |
| 166 | S | 94.1 | Very high | 90.7 | Very high | 38 Ų | 38 | 91.9 Ų | 91.9 | 27% | 0.266 | 53% | 0.527 | S | S | . | . | P | Polyproline II helix | trans | -62.4 | 155.2 | 173.1 | 178.5 | 0 | 0 | 0 | 0 | 111.3 | L168 E169 K170 | S166-L168 PolarHBondContact O-N 3.36Å; S166-E169 WeakPolarHBondContact CB-OE1 3.26Å; S166-E169 PolarHBondContact N-OE2 2.92Å; S166-E169 WeakPolarHBondContact O-CB 3.46Å; S166-E169 PolarHBondContact O-N 3.43Å; S166-K170 WeakPolarHBondContact O-CG 3.41Å; S166-K170 PolarHBondContact O-N 2.91Å |
| 167 | S | 95.4 | Very high | 91.4 | Very high | 93 Ų | 93 | 91 Ų | 91 | 65% | 0.65 | 53% | 0.529 | S | S | * | . | H | α-helix | trans | -59.1 | -34 | 175.7 | 57 | 0 | 0 | 0 | 0 | 112.3 | K170 S171 | S167-K170 PolarHBondContact O-N 3.47Å; S167-S171 PolarHBondContact O-N 3Å; S167-S171 VanDerWaalsContact O-N 3.09Å |
| 168 | L | 94.6 | Very high | 92 | Very high | 34 Ų | 34 | 92.4 Ų | 92.4 | 18% | 0.178 | 53% | 0.525 | C | S | . | . | H | α-helix | trans | -73.2 | -37.1 | -179.5 | -145.9 | 140.1 | 0 | 0 | 0 | 111.3 | S166 S171 I172 M187 L191 | S166-L168 PolarHBondContact O-N 3.36Å; L168-S171 WeakPolarHBondContact O-CB 3.48Å; L168-S171 PolarHBondContact O-N 3.25Å; L168-I172 HydrophobicContact CD2-CD1 4.12Å; L168-I172 WeakPolarHBondContact O-CG1 3.42Å; L168-I172 PolarHBondContact O-N 3.11Å; L168-M187 HydrophobicContact CD1-CE 4.33Å; L168-M187 HydrophobicContact CD2-CB 4.17Å; L168-M187 HydrophobicContact CD2-CE 4.08Å; L168-M187 WeakPolarHBondContact CD2-O 3.25Å; L168-M187 HydrophobicContact CG-CE 3.77Å; L168-L191 HydrophobicContact CD2-CB 3.8Å; L168-L191 HydrophobicContact CD2-CD1 4.24Å; L168-L191 HydrophobicContact CD2-CG 4.46Å |
| 169 | E | 95.4 | Very high | 92.8 | Very high | 62 Ų | 62 | 89.1 Ų | 89.1 | 29% | 0.29 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -62.9 | -43 | 171.9 | -66.6 | 163.2 | -158.8 | 0 | 0 | 111.8 | K165 S166 S171 I172 E173 L191 | K165-E169 WeakPolarHBondContact CA-OE2 3.34Å; K165-E169 HydrophobicContact CB-CB 4.28Å; K165-E169 VanDerWaalsContact CB-OE2 3.3Å; K165-E169 WeakPolarHBondContact CB-OE2 3.32Å; S166-E169 WeakPolarHBondContact CB-OE1 3.26Å; S166-E169 PolarHBondContact N-OE2 2.92Å; S166-E169 WeakPolarHBondContact O-CB 3.46Å; S166-E169 PolarHBondContact O-N 3.43Å; E169-S171 VanDerWaalsContact C-N 3.29Å; E169-S171 PolarHBondContact O-N 3.19Å; E169-I172 WeakPolarHBondContact O-CB 3.45Å; E169-I172 PolarHBondContact O-N 3.16Å; E169-E173 WeakPolarHBondContact O-CG 3.43Å; E169-E173 PolarHBondContact O-N 3.42Å; E169-L191 HydrophobicContact CG-CD1 3.49Å; E169-L191 VanDerWaalsContact CG-CD1 3.49Å |
| 170 | K | 96.9 | Very high | 93.8 | Very high | 119 Ų | 119 | 88.3 Ų | 88.3 | 52% | 0.517 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -61 | -40.5 | 175 | -66.6 | 173.5 | -173.4 | 175.2 | 0 | 111.5 | K165 S166 S167 E173 S174 | K165-K170 HydrophobicContact CB-CG 4.23Å; K165-K170 WeakPolarHBondContact O-CE 3.48Å; S166-K170 WeakPolarHBondContact O-CG 3.41Å; S166-K170 PolarHBondContact O-N 2.91Å; S167-K170 PolarHBondContact O-N 3.47Å; K170-E173 PolarHBondContact O-N 2.97Å; K170-S174 PolarHBondContact O-N 2.96Å; K170-S174 PolarHBondContact O-OG 3.42Å; K170-S174 VanDerWaalsContact O-OG 3.13Å |
| 171 | S | 96.9 | Very high | 94.6 | Very high | 42 Ų | 42 | 83.3 Ų | 83.3 | 29% | 0.294 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -65.3 | -39.2 | 176.9 | -170.3 | 0 | 0 | 0 | 0 | 112.2 | S167 L168 E169 S174 A175 | S167-S171 PolarHBondContact O-N 3Å; S167-S171 VanDerWaalsContact O-N 3.09Å; L168-S171 WeakPolarHBondContact O-CB 3.48Å; L168-S171 PolarHBondContact O-N 3.25Å; E169-S171 VanDerWaalsContact C-N 3.29Å; E169-S171 PolarHBondContact O-N 3.19Å; S171-S174 PolarHBondContact O-N 2.94Å; S171-A175 PolarHBondContact O-N 3.02Å |
| 172 | I | 97.6 | Very high | 95.2 | Very high | 27 Ų | 27 | 77.4 Ų | 77.4 | 14% | 0.138 | 46% | 0.463 | C | S | . | . | H | α-helix | trans | -59.4 | -47.5 | 172.2 | -68.2 | 163.3 | 0 | 0 | 0 | 110.1 | L168 E169 S174 A175 I176 A184 M187 L191 | L168-I172 HydrophobicContact CD2-CD1 4.12Å; L168-I172 WeakPolarHBondContact O-CG1 3.42Å; L168-I172 PolarHBondContact O-N 3.11Å; E169-I172 WeakPolarHBondContact O-CB 3.45Å; E169-I172 PolarHBondContact O-N 3.16Å; I172-S174 VanDerWaalsContact C-N 3.34Å; I172-S174 PolarHBondContact O-N 3.06Å; I172-A175 PolarHBondContact O-N 2.98Å; I172-I176 HydrophobicContact CG2-CD1 3.75Å; I172-I176 HydrophobicContact CG2-CG1 4.47Å; I172-I176 VanDerWaalsContact O-CG1 3.27Å; I172-I176 WeakPolarHBondContact O-CG1 3.34Å; I172-I176 PolarHBondContact O-N 2.93Å; I172-A184 HydrophobicContact CG2-CB 4.45Å; I172-M187 HydrophobicContact CD1-CB 4.26Å; I172-M187 HydrophobicContact CG1-CB 3.55Å; I172-L191 HydrophobicContact CD1-CB 4.47Å; I172-L191 HydrophobicContact CD1-CD1 4.01Å |
| 173 | E | 97.2 | Very high | 95.9 | Very high | 88 Ų | 88 | 76.1 Ų | 76.1 | 41% | 0.411 | 45% | 0.445 | S | S | . | . | H | α-helix | trans | -62 | -39.9 | 178.3 | -72.2 | 173.5 | -172.2 | 0 | 0 | 112.8 | K165 E169 K170 I176 A177 | K165-E173 VanDerWaalsContact CD-OE1 3.28Å; K165-E173 WeakPolarHBondContact CD-OE1 3.43Å; K165-E173 WeakPolarHBondContact CE-OE1 3.46Å; K165-E173 IonicContact NZ-OE1 3.36Å; K165-E173 PolarHBondContact NZ-OE1 3.18Å; K165-E173 IonicContact NZ-OE2 2.62Å; K165-E173 PolarHBondContact NZ-OE2 3.15Å; E169-E173 WeakPolarHBondContact O-CG 3.43Å; E169-E173 PolarHBondContact O-N 3.42Å; K170-E173 PolarHBondContact O-N 2.97Å; E173-I176 PolarHBondContact O-N 2.62Å; E173-A177 WeakPolarHBondContact O-CB 3.49Å; E173-A177 PolarHBondContact O-N 3.36Å |
| 174 | S | 97.6 | Very high | 96.5 | Very high | 64 Ų | 64 | 72.7 Ų | 72.7 | 45% | 0.448 | 42% | 0.416 | S | S | . | . | H | α-helix | trans | -63 | -45.7 | 174.5 | -63.5 | 0 | 0 | 0 | 0 | 112 | K170 S171 I172 I176 A177 E178 | K170-S174 PolarHBondContact O-N 2.96Å; K170-S174 PolarHBondContact O-OG 3.42Å; K170-S174 VanDerWaalsContact O-OG 3.13Å; S171-S174 PolarHBondContact O-N 2.94Å; I172-S174 VanDerWaalsContact C-N 3.34Å; I172-S174 PolarHBondContact O-N 3.06Å; S174-I176 VanDerWaalsContact C-N 3.32Å; S174-I176 PolarHBondContact O-N 2.92Å; S174-A177 PolarHBondContact O-N 3.17Å; S174-E178 WeakPolarHBondContact O-CG 3.44Å; S174-E178 PolarHBondContact O-N 3.38Å |
| 175 | A | 97.9 | Very high | 96.8 | Very high | 2 Ų | 2 | 72.9 Ų | 72.9 | 2% | 0.017 | 41% | 0.406 | C | S | . | . | H | α-helix | trans | -62.7 | -38.5 | 177.1 | 0 | 0 | 0 | 0 | 0 | 112.2 | S171 I172 E178 G179 D180 K183 A184 | S171-A175 PolarHBondContact O-N 3.02Å; I172-A175 PolarHBondContact O-N 2.98Å; A175-E178 PolarHBondContact O-N 3.37Å; A175-G179 PolarHBondContact O-N 3.02Å; A175-D180 PolarHBondContact O-N 3.32Å; A175-K183 HydrophobicContact CB-CB 4.47Å; A175-K183 HydrophobicContact CB-CG 4.49Å; A175-A184 HydrophobicContact CB-CB 4.02Å |
| 176 | I | 98.1 | Very high | 97 | Very high | 86 Ų | 86 | 72.7 Ų | 72.7 | 44% | 0.441 | 41% | 0.407 | S | S | . | . | H | α-helix | trans | -65.3 | -42.2 | 174.5 | -66.8 | 166.2 | 0 | 0 | 0 | 111 | I172 E173 S174 E178 G179 A184 | I172-I176 HydrophobicContact CG2-CD1 3.75Å; I172-I176 HydrophobicContact CG2-CG1 4.47Å; I172-I176 VanDerWaalsContact O-CG1 3.27Å; I172-I176 WeakPolarHBondContact O-CG1 3.34Å; I172-I176 PolarHBondContact O-N 2.93Å; E173-I176 PolarHBondContact O-N 2.62Å; S174-I176 VanDerWaalsContact C-N 3.32Å; S174-I176 PolarHBondContact O-N 2.92Å; I176-E178 VanDerWaalsContact C-N 3.29Å; I176-E178 PolarHBondContact O-N 3.13Å; I176-G179 PolarHBondContact O-N 3.39Å; I176-G179 VanDerWaalsContact O-N 3.09Å; I176-A184 HydrophobicContact CG1-CB 3.82Å |
| 177 | A | 98 | Very high | 97.2 | Very high | 90 Ų | 90 | 72.1 Ų | 72.1 | 74% | 0.744 | 40% | 0.401 | S | S | * | . | H | α-helix | trans | -65.3 | -33.7 | 177.8 | 0 | 0 | 0 | 0 | 0 | 112.5 | E173 S174 G179 | E173-A177 WeakPolarHBondContact O-CB 3.49Å; E173-A177 PolarHBondContact O-N 3.36Å; S174-A177 PolarHBondContact O-N 3.17Å; A177-G179 VanDerWaalsContact C-N 3.28Å |
| 178 | E | 97 | Very high | 97.3 | Very high | 146 Ų | 146 | 70.5 Ų | 70.5 | 68% | 0.682 | 39% | 0.389 | S | S | * | . | H | α-helix | trans | -74.6 | -17.2 | 173.1 | -70.7 | 170.8 | -166.7 | 0 | 0 | 112.8 | S174 A175 I176 | S174-E178 WeakPolarHBondContact O-CG 3.44Å; S174-E178 PolarHBondContact O-N 3.38Å; A175-E178 PolarHBondContact O-N 3.37Å; I176-E178 VanDerWaalsContact C-N 3.29Å; I176-E178 PolarHBondContact O-N 3.13Å |
| 179 | G | 97.5 | Very high | 97.4 | Very high | 41 Ų | 41 | 73.5 Ų | 73.5 | 42% | 0.423 | 41% | 0.405 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 84 | 10.7 | -177.4 | 0 | 0 | 0 | 0 | 0 | 114.6 | A175 I176 A177 F181 | A175-G179 PolarHBondContact O-N 3.02Å; I176-G179 PolarHBondContact O-N 3.39Å; I176-G179 VanDerWaalsContact O-N 3.09Å; A177-G179 VanDerWaalsContact C-N 3.28Å; G179-F181 WeakPolarHBondContact O-CD2 3.22Å; G179-F181 PolarHBondContact O-N 3.36Å |
| 180 | D | 97.5 | Very high | 97.5 | Very high | 75 Ų | 75 | 76.6 Ų | 76.6 | 40% | 0.401 | 41% | 0.414 | S | S | . | . | trans | -88.3 | 82.2 | 175.2 | -172.2 | -7.3 | 0 | 0 | 0 | 110.6 | A175 G182 K183 A184 | A175-D180 PolarHBondContact O-N 3.32Å; D180-G182 VanDerWaalsContact C-N 3.31Å; D180-G182 PolarHBondContact O-N 3.33Å; D180-G182 PolarHBondContact OD1-N 2.94Å; D180-K183 HydrophobicContact CB-CB 4.34Å; D180-K183 VanDerWaalsContact CG-CB 3.48Å; D180-K183 PolarHBondContact OD1-N 3.06Å; D180-K183 VanDerWaalsContact OD1-N 3.11Å; D180-K183 WeakPolarHBondContact OD2-CB 3.37Å; D180-A184 PolarHBondContact O-N 2.93Å | ||
| 181 | F | 97.8 | Very high | 97.5 | Very high | 143 Ų | 143 | 72.3 Ų | 72.3 | 63% | 0.627 | 40% | 0.397 | S | S | * | . | H | α-helix | trans | -67.7 | -29.8 | -179.4 | -58.8 | -69.5 | 0 | 0 | 0 | 113.2 | G179 A184 E185 | G179-F181 WeakPolarHBondContact O-CD2 3.22Å; G179-F181 PolarHBondContact O-N 3.36Å; F181-A184 PolarHBondContact O-N 3.45Å; F181-E185 WeakPolarHBondContact O-CB 3.4Å; F181-E185 PolarHBondContact O-N 2.97Å |
| 182 | G | 97.9 | Very high | 97.5 | Very high | 46 Ų | 46 | 72.7 Ų | 72.7 | 47% | 0.474 | 40% | 0.403 | S | S | . | . | H | α-helix | trans | -66.2 | -43.9 | 179.9 | 0 | 0 | 0 | 0 | 0 | 111.4 | D180 E185 E186 | D180-G182 VanDerWaalsContact C-N 3.31Å; D180-G182 PolarHBondContact O-N 3.33Å; D180-G182 PolarHBondContact OD1-N 2.94Å; G182-E185 PolarHBondContact O-N 3.42Å; G182-E186 PolarHBondContact O-N 2.91Å; G182-E186 VanDerWaalsContact O-N 3.15Å |
| 183 | K | 97.8 | Very high | 97.5 | Very high | 94 Ų | 94 | 75.7 Ų | 75.7 | 41% | 0.409 | 42% | 0.422 | S | S | . | . | H | α-helix | trans | -67.1 | -38.1 | 174.3 | -172.9 | 178.7 | 178.7 | -173.5 | 0 | 112.3 | A175 D180 E185 E186 M187 | A175-K183 HydrophobicContact CB-CB 4.47Å; A175-K183 HydrophobicContact CB-CG 4.49Å; D180-K183 HydrophobicContact CB-CB 4.34Å; D180-K183 VanDerWaalsContact CG-CB 3.48Å; D180-K183 PolarHBondContact OD1-N 3.06Å; D180-K183 VanDerWaalsContact OD1-N 3.11Å; D180-K183 WeakPolarHBondContact OD2-CB 3.37Å; K183-E185 VanDerWaalsContact C-N 3.34Å; K183-E186 PolarHBondContact O-N 3.4Å; K183-M187 WeakPolarHBondContact O-CB 3.47Å; K183-M187 WeakPolarHBondContact O-CG 3.3Å; K183-M187 PolarHBondContact O-N 2.92Å; K183-M187 VanDerWaalsContact O-N 3.07Å |
| 184 | A | 98.3 | Very high | 97.5 | Very high | 9 Ų | 9 | 78.6 Ų | 78.6 | 7% | 0.074 | 43% | 0.43 | C | S | . | . | H | α-helix | trans | -61.9 | -41.4 | 176.1 | 0 | 0 | 0 | 0 | 0 | 112.1 | I172 A175 I176 D180 F181 M187 S188 | I172-A184 HydrophobicContact CG2-CB 4.45Å; A175-A184 HydrophobicContact CB-CB 4.02Å; I176-A184 HydrophobicContact CG1-CB 3.82Å; D180-A184 PolarHBondContact O-N 2.93Å; F181-A184 PolarHBondContact O-N 3.45Å; A184-M187 PolarHBondContact O-N 2.93Å; A184-S188 WeakPolarHBondContact O-CB 3.43Å; A184-S188 PolarHBondContact O-N 3.42Å |
| 185 | E | 97.2 | Very high | 97.3 | Very high | 131 Ų | 131 | 80 Ų | 80 | 61% | 0.612 | 43% | 0.429 | S | S | * | . | H | α-helix | trans | -63.1 | -48.4 | 176.6 | -176.6 | 175.7 | -153.8 | 0 | 0 | 111.7 | F181 G182 K183 M187 S188 D189 | F181-E185 WeakPolarHBondContact O-CB 3.4Å; F181-E185 PolarHBondContact O-N 2.97Å; G182-E185 PolarHBondContact O-N 3.42Å; K183-E185 VanDerWaalsContact C-N 3.34Å; E185-M187 VanDerWaalsContact C-N 3.27Å; E185-M187 PolarHBondContact O-N 3.29Å; E185-S188 WeakPolarHBondContact O-CA 3.47Å; E185-S188 WeakPolarHBondContact O-CB 3.31Å; E185-S188 PolarHBondContact O-N 3.16Å; E185-D189 PolarHBondContact O-N 3.07Å |
| 186 | E | 97.1 | Very high | 97.2 | Very high | 96 Ų | 96 | 84.3 Ų | 84.3 | 45% | 0.449 | 45% | 0.451 | S | S | . | . | H | α-helix | trans | -57.9 | -42.9 | 177.1 | -174.3 | -174.8 | -176 | 0 | 0 | 111.5 | G182 K183 S188 D189 R190 | G182-E186 PolarHBondContact O-N 2.91Å; G182-E186 VanDerWaalsContact O-N 3.15Å; K183-E186 PolarHBondContact O-N 3.4Å; E186-S188 VanDerWaalsContact C-N 3.33Å; E186-D189 PolarHBondContact O-N 3.34Å; E186-R190 VanDerWaalsContact O-CG 3.22Å; E186-R190 WeakPolarHBondContact O-CG 3.41Å; E186-R190 PolarHBondContact O-N 2.81Å; E186-R190 IonicContact OE1-CZ 2.72Å; E186-R190 VanDerWaalsContact OE1-CZ 3.23Å; E186-R190 IonicContact OE1-NE 2.78Å; E186-R190 PolarHBondContact OE1-NE 2.83Å; E186-R190 IonicContact OE1-NH2 3.57Å; E186-R190 PolarHBondContact OE1-NH2 2.83Å |
| 187 | M | 97.6 | Very high | 97.1 | Very high | 27 Ų | 27 | 82.9 Ų | 82.9 | 13% | 0.133 | 45% | 0.452 | C | S | . | . | H | α-helix | trans | -67.6 | -34.9 | 177.4 | -65.6 | -63.7 | -79.1 | 0 | 0 | 111.6 | L168 I172 K183 A184 E185 R190 L191 | L168-M187 HydrophobicContact CD1-CE 4.33Å; L168-M187 HydrophobicContact CD2-CB 4.17Å; L168-M187 HydrophobicContact CD2-CE 4.08Å; L168-M187 WeakPolarHBondContact CD2-O 3.25Å; L168-M187 HydrophobicContact CG-CE 3.77Å; I172-M187 HydrophobicContact CD1-CB 4.26Å; I172-M187 HydrophobicContact CG1-CB 3.55Å; K183-M187 WeakPolarHBondContact O-CB 3.47Å; K183-M187 WeakPolarHBondContact O-CG 3.3Å; K183-M187 PolarHBondContact O-N 2.92Å; K183-M187 VanDerWaalsContact O-N 3.07Å; A184-M187 PolarHBondContact O-N 2.93Å; E185-M187 VanDerWaalsContact C-N 3.27Å; E185-M187 PolarHBondContact O-N 3.29Å; M187-R190 PolarHBondContact O-N 2.95Å; M187-L191 PolarHBondContact O-N 3.18Å |
| 188 | S | 97.6 | Very high | 97 | Very high | 59 Ų | 59 | 82 Ų | 82 | 41% | 0.413 | 44% | 0.438 | S | S | . | . | H | α-helix | trans | -63.3 | -45.8 | 173.8 | -177.5 | 0 | 0 | 0 | 0 | 112.2 | A184 E185 E186 R190 L191 A192 | A184-S188 WeakPolarHBondContact O-CB 3.43Å; A184-S188 PolarHBondContact O-N 3.42Å; E185-S188 WeakPolarHBondContact O-CA 3.47Å; E185-S188 WeakPolarHBondContact O-CB 3.31Å; E185-S188 PolarHBondContact O-N 3.16Å; E186-S188 VanDerWaalsContact C-N 3.33Å; S188-R190 VanDerWaalsContact C-N 3.31Å; S188-R190 PolarHBondContact O-N 3.04Å; S188-L191 WeakPolarHBondContact O-CB 3.33Å; S188-L191 PolarHBondContact O-N 3.21Å; S188-L191 VanDerWaalsContact O-N 3.11Å; S188-A192 PolarHBondContact O-N 3.37Å |
| 189 | D | 97.4 | Very high | 96.9 | Very high | 97 Ų | 97 | 80.3 Ų | 80.3 | 52% | 0.519 | 43% | 0.428 | S | S | . | . | H | α-helix | trans | -63.4 | -39.6 | 177.2 | -75 | -13.9 | 0 | 0 | 0 | 111.7 | E185 E186 L191 A192 T193 | E185-D189 PolarHBondContact O-N 3.07Å; E186-D189 PolarHBondContact O-N 3.34Å; D189-L191 VanDerWaalsContact C-N 3.32Å; D189-L191 PolarHBondContact O-N 3.43Å; D189-A192 PolarHBondContact O-N 2.95Å; D189-T193 WeakPolarHBondContact O-CG2 3.46Å; D189-T193 PolarHBondContact O-N 2.93Å; D189-T193 PolarHBondContact O-OG1 2.93Å |
| 190 | R | 96.8 | Very high | 96.8 | Very high | 126 Ų | 126 | 80.5 Ų | 80.5 | 48% | 0.475 | 42% | 0.419 | S | S | . | . | H | α-helix | trans | -61.9 | -39.1 | 172.7 | -71.7 | 169.7 | 177.8 | -160 | -0.2 | 112 | E186 M187 S188 T193 R194 | E186-R190 VanDerWaalsContact O-CG 3.22Å; E186-R190 WeakPolarHBondContact O-CG 3.41Å; E186-R190 PolarHBondContact O-N 2.81Å; E186-R190 IonicContact OE1-CZ 2.72Å; E186-R190 VanDerWaalsContact OE1-CZ 3.23Å; E186-R190 IonicContact OE1-NE 2.78Å; E186-R190 PolarHBondContact OE1-NE 2.83Å; E186-R190 IonicContact OE1-NH2 3.57Å; E186-R190 PolarHBondContact OE1-NH2 2.83Å; M187-R190 PolarHBondContact O-N 2.95Å; S188-R190 VanDerWaalsContact C-N 3.31Å; S188-R190 PolarHBondContact O-N 3.04Å; R190-T193 WeakPolarHBondContact CA-OG1 3.43Å; R190-T193 PolarHBondContact O-OG1 3.4Å; R190-R194 WeakPolarHBondContact O-CB 3.43Å; R190-R194 PolarHBondContact O-N 3.46Å; R190-R194 VanDerWaalsContact O-N 3.16Å |
| 191 | L | 96.6 | Very high | 96.7 | Very high | 29 Ų | 29 | 79.3 Ų | 79.3 | 15% | 0.152 | 42% | 0.419 | C | S | . | . | H | α-helix | trans | -64.1 | -49.6 | 174.8 | -167.6 | 148 | 0 | 0 | 0 | 110.7 | L168 E169 I172 M187 S188 D189 T193 R194 E195 | L168-L191 HydrophobicContact CD2-CB 3.8Å; L168-L191 HydrophobicContact CD2-CD1 4.24Å; L168-L191 HydrophobicContact CD2-CG 4.46Å; E169-L191 HydrophobicContact CG-CD1 3.49Å; E169-L191 VanDerWaalsContact CG-CD1 3.49Å; I172-L191 HydrophobicContact CD1-CB 4.47Å; I172-L191 HydrophobicContact CD1-CD1 4.01Å; M187-L191 PolarHBondContact O-N 3.18Å; S188-L191 WeakPolarHBondContact O-CB 3.33Å; S188-L191 PolarHBondContact O-N 3.21Å; S188-L191 VanDerWaalsContact O-N 3.11Å; D189-L191 VanDerWaalsContact C-N 3.32Å; D189-L191 PolarHBondContact O-N 3.43Å; L191-T193 PolarHBondContact O-N 3.1Å; L191-R194 PolarHBondContact O-N 3.43Å; L191-E195 HydrophobicContact CD2-CG 3.88Å; L191-E195 WeakPolarHBondContact CD2-OE1 3.29Å; L191-E195 WeakPolarHBondContact O-CG 3.24Å; L191-E195 PolarHBondContact O-N 3.17Å |
| 192 | A | 97.6 | Very high | 96.6 | Very high | 51 Ų | 51 | 76.5 Ų | 76.5 | 42% | 0.421 | 41% | 0.408 | S | S | . | . | H | α-helix | trans | -60.6 | -43.5 | -178.1 | 0 | 0 | 0 | 0 | 0 | 112.3 | S188 D189 E195 L196 | S188-A192 PolarHBondContact O-N 3.37Å; D189-A192 PolarHBondContact O-N 2.95Å; A192-E195 PolarHBondContact O-N 3.01Å; A192-L196 WeakPolarHBondContact O-CB 3.13Å; A192-L196 PolarHBondContact O-N 2.96Å |
| 193 | T | 96.9 | Very high | 96.4 | Very high | 89 Ų | 89 | 74.4 Ų | 74.4 | 55% | 0.546 | 39% | 0.386 | S | S | . | . | H | α-helix | trans | -64.1 | -41.1 | 176 | 49.3 | 0 | 0 | 0 | 0 | 112.2 | D189 R190 L191 L196 A197 | D189-T193 WeakPolarHBondContact O-CG2 3.46Å; D189-T193 PolarHBondContact O-N 2.93Å; D189-T193 PolarHBondContact O-OG1 2.93Å; R190-T193 WeakPolarHBondContact CA-OG1 3.43Å; R190-T193 PolarHBondContact O-OG1 3.4Å; L191-T193 PolarHBondContact O-N 3.1Å; T193-L196 PolarHBondContact O-N 3.1Å; T193-A197 WeakPolarHBondContact O-CB 3.44Å; T193-A197 PolarHBondContact O-N 2.91Å |
| 194 | R | 96.4 | Very high | 96.3 | Very high | 150 Ų | 150 | 70.9 Ų | 70.9 | 57% | 0.566 | 38% | 0.375 | S | S | * | . | H | α-helix | trans | -62.9 | -47.1 | 175.2 | -178.8 | -177 | 173.9 | -168 | -2.5 | 111.7 | R190 L191 L196 A197 V198 | R190-R194 WeakPolarHBondContact O-CB 3.43Å; R190-R194 PolarHBondContact O-N 3.46Å; R190-R194 VanDerWaalsContact O-N 3.16Å; L191-R194 PolarHBondContact O-N 3.43Å; R194-L196 VanDerWaalsContact C-N 3.32Å; R194-L196 PolarHBondContact O-N 3.3Å; R194-A197 WeakPolarHBondContact O-CB 3.22Å; R194-A197 PolarHBondContact O-N 3.5Å; R194-V198 WeakPolarHBondContact O-CG2 3.32Å; R194-V198 PolarHBondContact O-N 3.04Å |
| 195 | E | 94.9 | Very high | 96.1 | Very high | 92 Ų | 92 | 75.7 Ų | 75.7 | 43% | 0.43 | 40% | 0.399 | S | S | . | . | H | α-helix | trans | -64.1 | -38.6 | 178.5 | -71.5 | -170.6 | 161.9 | 0 | 0 | 112.2 | L191 A192 V198 K199 | L191-E195 HydrophobicContact CD2-CG 3.88Å; L191-E195 WeakPolarHBondContact CD2-OE1 3.29Å; L191-E195 WeakPolarHBondContact O-CG 3.24Å; L191-E195 PolarHBondContact O-N 3.17Å; A192-E195 PolarHBondContact O-N 3.01Å; E195-V198 PolarHBondContact O-N 2.91Å; E195-K199 WeakPolarHBondContact O-CG 3.3Å; E195-K199 PolarHBondContact O-N 3.16Å |
| 196 | L | 95.3 | Very high | 95.9 | Very high | 93 Ų | 93 | 70.5 Ų | 70.5 | 49% | 0.487 | 38% | 0.377 | S | S | . | . | H | α-helix | trans | -62.5 | -44.5 | 173.1 | -179 | 63 | 0 | 0 | 0 | 111.3 | A192 T193 R194 V198 K199 I200 | A192-L196 WeakPolarHBondContact O-CB 3.13Å; A192-L196 PolarHBondContact O-N 2.96Å; T193-L196 PolarHBondContact O-N 3.1Å; R194-L196 VanDerWaalsContact C-N 3.32Å; R194-L196 PolarHBondContact O-N 3.3Å; L196-V198 VanDerWaalsContact C-N 3.31Å; L196-V198 PolarHBondContact O-N 3.11Å; L196-K199 WeakPolarHBondContact O-CB 3.38Å; L196-K199 PolarHBondContact O-N 3.26Å; L196-K199 VanDerWaalsContact O-N 3.16Å; L196-I200 HydrophobicContact CD1-CD1 4.32Å; L196-I200 HydrophobicContact CD1-CG1 4.47Å; L196-I200 HydrophobicContact CG-CD1 3.91Å; L196-I200 HydrophobicContact CG-CG1 4.49Å; L196-I200 VanDerWaalsContact O-CG1 3.29Å; L196-I200 WeakPolarHBondContact O-CG1 3.37Å; L196-I200 PolarHBondContact O-N 2.95Å |
| 197 | A | 96.6 | Very high | 95.7 | Very high | 56 Ų | 56 | 68.6 Ų | 68.6 | 46% | 0.463 | 37% | 0.366 | S | S | . | . | H | α-helix | trans | -59.9 | -40.5 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112.1 | T193 R194 I200 A201 | T193-A197 WeakPolarHBondContact O-CB 3.44Å; T193-A197 PolarHBondContact O-N 2.91Å; R194-A197 WeakPolarHBondContact O-CB 3.22Å; R194-A197 PolarHBondContact O-N 3.5Å; A197-I200 PolarHBondContact O-N 2.88Å; A197-A201 PolarHBondContact O-N 3.44Å |
| 198 | V | 95.1 | Very high | 95.6 | Very high | 72 Ų | 72 | 70.7 Ų | 70.7 | 44% | 0.436 | 38% | 0.378 | S | S | . | . | H | α-helix | trans | -61.2 | -45.7 | 174.1 | 171.7 | 0 | 0 | 0 | 0 | 111.1 | R194 E195 L196 I200 A201 Q202 | R194-V198 WeakPolarHBondContact O-CG2 3.32Å; R194-V198 PolarHBondContact O-N 3.04Å; E195-V198 PolarHBondContact O-N 2.91Å; L196-V198 VanDerWaalsContact C-N 3.31Å; L196-V198 PolarHBondContact O-N 3.11Å; V198-I200 VanDerWaalsContact C-N 3.31Å; V198-I200 PolarHBondContact O-N 2.84Å; V198-A201 PolarHBondContact O-N 3.4Å; V198-Q202 HydrophobicContact CG1-CG 4.47Å; V198-Q202 VanDerWaalsContact O-CG 3.31Å; V198-Q202 WeakPolarHBondContact O-CG 3.35Å; V198-Q202 PolarHBondContact O-N 3.12Å |
| 199 | K | 94.9 | Very high | 95.5 | Very high | 110 Ų | 110 | 73.8 Ų | 73.8 | 48% | 0.478 | 38% | 0.384 | S | S | . | . | H | α-helix | trans | -60.5 | -41.6 | 176.4 | -70.6 | 171.8 | -178 | 170.8 | 0 | 111.6 | F148 E195 L196 Q202 A203 | F148-K199 HydrophobicContact CD1-CB 3.89Å; F148-K199 HydrophobicContact CE1-CB 3.72Å; F148-K199 WeakPolarHBondContact CE1-O 3.26Å; E195-K199 WeakPolarHBondContact O-CG 3.3Å; E195-K199 PolarHBondContact O-N 3.16Å; L196-K199 WeakPolarHBondContact O-CB 3.38Å; L196-K199 PolarHBondContact O-N 3.26Å; L196-K199 VanDerWaalsContact O-N 3.16Å; K199-Q202 PolarHBondContact O-N 2.94Å; K199-A203 WeakPolarHBondContact O-CB 3.44Å; K199-A203 PolarHBondContact O-N 3.35Å |
| 200 | I | 95.6 | Very high | 95.3 | Very high | 46 Ų | 46 | 71.6 Ų | 71.6 | 24% | 0.236 | 37% | 0.374 | C | S | . | . | H | α-helix | trans | -63.7 | -45.6 | 178.9 | -69.9 | 167.3 | 0 | 0 | 0 | 110.4 | W141 L144 F148 L196 A197 V198 A203 A204 | W141-I200 HydrophobicContact CH2-CD1 3.93Å; W141-I200 HydrophobicContact CH2-CG2 4.41Å; W141-I200 HydrophobicContact CZ3-CD1 3.88Å; W141-I200 HydrophobicContact CZ3-CG1 4.06Å; W141-I200 HydrophobicContact CZ3-CG2 4.27Å; L144-I200 HydrophobicContact CD2-CG2 3.96Å; F148-I200 HydrophobicContact CE1-CG1 4.15Å; F148-I200 HydrophobicContact CZ-CG1 3.95Å; L196-I200 HydrophobicContact CD1-CD1 4.32Å; L196-I200 HydrophobicContact CD1-CG1 4.47Å; L196-I200 HydrophobicContact CG-CD1 3.91Å; L196-I200 HydrophobicContact CG-CG1 4.49Å; L196-I200 VanDerWaalsContact O-CG1 3.29Å; L196-I200 WeakPolarHBondContact O-CG1 3.37Å; L196-I200 PolarHBondContact O-N 2.95Å; A197-I200 PolarHBondContact O-N 2.88Å; V198-I200 VanDerWaalsContact C-N 3.31Å; V198-I200 PolarHBondContact O-N 2.84Å; I200-A203 PolarHBondContact O-N 3.29Å; I200-A204 WeakPolarHBondContact O-CB 3.38Å; I200-A204 PolarHBondContact O-N 3.32Å |
| 201 | A | 95.8 | Very high | 95.2 | Very high | 49 Ų | 49 | 70.1 Ų | 70.1 | 41% | 0.405 | 37% | 0.372 | S | S | . | . | H | α-helix | trans | -60.4 | -48.4 | 176.7 | 0 | 0 | 0 | 0 | 0 | 111.4 | A197 V198 A203 A204 D205 | A197-A201 PolarHBondContact O-N 3.44Å; V198-A201 PolarHBondContact O-N 3.4Å; A201-A203 VanDerWaalsContact C-N 3.32Å; A201-A203 PolarHBondContact O-N 2.88Å; A201-A204 WeakPolarHBondContact O-CB 3.43Å; A201-A204 PolarHBondContact O-N 2.84Å; A201-A204 VanDerWaalsContact O-N 3.11Å; A201-D205 VanDerWaalsContact O-CG 3.3Å; A201-D205 PolarHBondContact O-N 3Å |
| 202 | Q | 94.6 | Very high | 95.2 | Very high | 85 Ų | 85 | 71.5 Ų | 71.5 | 40% | 0.397 | 38% | 0.384 | S | S | . | . | H | α-helix | trans | -59.7 | -40.9 | 176.8 | -71.5 | 174.7 | -3.4 | 0 | 0 | 112.6 | V198 K199 A204 C206 | V198-Q202 HydrophobicContact CG1-CG 4.47Å; V198-Q202 VanDerWaalsContact O-CG 3.31Å; V198-Q202 WeakPolarHBondContact O-CG 3.35Å; V198-Q202 PolarHBondContact O-N 3.12Å; K199-Q202 PolarHBondContact O-N 2.94Å; Q202-A204 VanDerWaalsContact C-N 3.34Å; Q202-C206 PolarHBondContact O-N 3.43Å; Q202-C206 PolarHBondContact O-SG 3.45Å |
| 203 | A | 95.4 | Very high | 95.1 | Very high | 1 Ų | 1 | 74.3 Ų | 74.3 | 1% | 0.008 | 39% | 0.387 | C | S | . | . | H | α-helix | trans | -65.1 | -38.9 | 176.4 | 0 | 0 | 0 | 0 | 0 | 111.7 | L144 F148 K199 I200 A201 C206 R207 | L144-A203 VanDerWaalsContact CD1-C 3.49Å; L144-A203 HydrophobicContact CD1-CB 3.69Å; L144-A203 HydrophobicContact CG-CB 3.88Å; F148-A203 HydrophobicContact CD1-CB 3.99Å; F148-A203 HydrophobicContact CE1-CB 4Å; K199-A203 WeakPolarHBondContact O-CB 3.44Å; K199-A203 PolarHBondContact O-N 3.35Å; I200-A203 PolarHBondContact O-N 3.29Å; A201-A203 VanDerWaalsContact C-N 3.32Å; A201-A203 PolarHBondContact O-N 2.88Å; A203-C206 PolarHBondContact O-N 3.4Å; A203-R207 PolarHBondContact O-N 2.99Å |
| 204 | A | 94.7 | Very high | 95.1 | Very high | 21 Ų | 21 | 75.9 Ų | 75.9 | 17% | 0.174 | 39% | 0.388 | C | S | . | . | H | α-helix | trans | -66.7 | -45.8 | 177.3 | 0 | 0 | 0 | 0 | 0 | 111 | L144 I200 A201 Q202 C206 R207 D208 | L144-A204 HydrophobicContact CD1-CB 4.23Å; I200-A204 WeakPolarHBondContact O-CB 3.38Å; I200-A204 PolarHBondContact O-N 3.32Å; A201-A204 WeakPolarHBondContact O-CB 3.43Å; A201-A204 PolarHBondContact O-N 2.84Å; A201-A204 VanDerWaalsContact O-N 3.11Å; Q202-A204 VanDerWaalsContact C-N 3.34Å; A204-C206 VanDerWaalsContact C-N 3.26Å; A204-C206 PolarHBondContact O-N 3.27Å; A204-R207 WeakPolarHBondContact O-CB 3.48Å; A204-R207 PolarHBondContact O-N 2.97Å; A204-R207 VanDerWaalsContact O-N 3.1Å; A204-D208 VanDerWaalsContact O-CG 3.23Å; A204-D208 PolarHBondContact O-N 3.28Å |
| 205 | D | 94.1 | Very high | 95.1 | Very high | 109 Ų | 109 | 74.8 Ų | 74.8 | 58% | 0.583 | 39% | 0.39 | S | S | * | . | H | α-helix | trans | -56.8 | -41.4 | 174.9 | -66.6 | -20.6 | 0 | 0 | 0 | 111.4 | A201 D208 F209 | A201-D205 VanDerWaalsContact O-CG 3.3Å; A201-D205 PolarHBondContact O-N 3Å; D205-D208 PolarHBondContact O-N 2.81Å; D205-F209 VanDerWaalsContact O-CB 3.3Å; D205-F209 WeakPolarHBondContact O-CB 3.42Å; D205-F209 PolarHBondContact O-N 3.41Å |
| 206 | C | 92.8 | Very high | 95.2 | Very high | 22 Ų | 22 | 72.7 Ų | 72.7 | 15% | 0.149 | 39% | 0.388 | C | S | . | . | H | α-helix | trans | -63.6 | -44.8 | 175.9 | -68.7 | 0 | 0 | 0 | 0 | 112.2 | Y147 Q202 A203 A204 F209 V210 | Y147-C206 HydrophobicContact CD1-CB 3.81Å; Y147-C206 HydrophobicContact CG-CB 4.21Å; Q202-C206 PolarHBondContact O-N 3.43Å; Q202-C206 PolarHBondContact O-SG 3.45Å; A203-C206 PolarHBondContact O-N 3.4Å; A204-C206 VanDerWaalsContact C-N 3.26Å; A204-C206 PolarHBondContact O-N 3.27Å; C206-F209 PolarHBondContact O-N 2.89Å; C206-V210 WeakPolarHBondContact O-CG2 3.42Å; C206-V210 PolarHBondContact O-N 3.11Å |
| 207 | R | 94.1 | Very high | 95.2 | Very high | 56 Ų | 56 | 74.5 Ų | 74.5 | 21% | 0.211 | 39% | 0.394 | C | S | . | . | H | α-helix | trans | -60.3 | -48.1 | 177.5 | -178.1 | -169.2 | 68.9 | -163.1 | -4.2 | 111 | H140 Y147 A203 A204 F209 V210 Q211 | H140-R207 PolarHBondContact CE1-NH1 3.37Å; Y147-R207 HydrophobicContact CD2-CB 4.08Å; Y147-R207 HydrophobicContact CE2-CB 3.85Å; Y147-R207 HydrophobicContact CE2-CG 4Å; A203-R207 PolarHBondContact O-N 2.99Å; A204-R207 WeakPolarHBondContact O-CB 3.48Å; A204-R207 PolarHBondContact O-N 2.97Å; A204-R207 VanDerWaalsContact O-N 3.1Å; R207-F209 VanDerWaalsContact C-N 3.31Å; R207-F209 PolarHBondContact O-N 2.99Å; R207-V210 PolarHBondContact O-N 2.91Å; R207-Q211 WeakPolarHBondContact O-CG 3.34Å; R207-Q211 PolarHBondContact O-N 3.32Å |
| 208 | D | 94.6 | Very high | 95.1 | Very high | 71 Ų | 71 | 74.7 Ų | 74.7 | 38% | 0.38 | 40% | 0.395 | S | S | . | . | H | α-helix | trans | -69.1 | -33.7 | -176.3 | -62.4 | -2.8 | 0 | 0 | 0 | 110.6 | A204 D205 S212 | A204-D208 VanDerWaalsContact O-CG 3.23Å; A204-D208 PolarHBondContact O-N 3.28Å; D205-D208 PolarHBondContact O-N 2.81Å; D208-S212 VanDerWaalsContact O-CB 3.32Å; D208-S212 WeakPolarHBondContact O-CB 3.26Å; D208-S212 PolarHBondContact O-N 2.95Å; D208-S212 PolarHBondContact O-OG 3.35Å |
| 209 | F | 94.9 | Very high | 94.9 | Very high | 125 Ų | 125 | 74.4 Ų | 74.4 | 55% | 0.548 | 40% | 0.396 | S | S | . | . | H | α-helix | trans | -62.8 | -44.3 | 169.6 | -179.6 | -98.3 | 0 | 0 | 0 | 112.6 | D205 C206 R207 S212 K213 | D205-F209 VanDerWaalsContact O-CB 3.3Å; D205-F209 WeakPolarHBondContact O-CB 3.42Å; D205-F209 PolarHBondContact O-N 3.41Å; C206-F209 PolarHBondContact O-N 2.89Å; R207-F209 VanDerWaalsContact C-N 3.31Å; R207-F209 PolarHBondContact O-N 2.99Å; F209-S212 WeakPolarHBondContact CA-OG 3.18Å; F209-S212 PolarHBondContact O-OG 2.91Å; F209-K213 HydrophobicContact CD1-CG 4.2Å; F209-K213 HydrophobicContact CE1-CG 3.85Å; F209-K213 HydrophobicContact CE2-CG 4.24Å; F209-K213 HydrophobicContact CZ-CD 4.2Å; F209-K213 HydrophobicContact CZ-CG 3.89Å; F209-K213 WeakPolarHBondContact O-CB 3.32Å; F209-K213 VanDerWaalsContact O-CG 3.26Å; F209-K213 WeakPolarHBondContact O-CG 3.34Å; F209-K213 PolarHBondContact O-N 2.84Å |
| 210 | V | 94.1 | Very high | 94.8 | Very high | 50 Ų | 50 | 77.4 Ų | 77.4 | 30% | 0.303 | 41% | 0.405 | S | S | . | . | H | α-helix | trans | -64.2 | -43.7 | 177.9 | 169.6 | 0 | 0 | 0 | 0 | 111.2 | Y147 C206 R207 K213 Q214 | Y147-V210 HydrophobicContact CE1-CG2 4.15Å; C206-V210 WeakPolarHBondContact O-CG2 3.42Å; C206-V210 PolarHBondContact O-N 3.11Å; R207-V210 PolarHBondContact O-N 2.91Å; V210-K213 PolarHBondContact O-N 3.33Å; V210-Q214 WeakPolarHBondContact O-CG 3.21Å; V210-Q214 PolarHBondContact O-N 3.33Å |
| 211 | Q | 94.2 | Very high | 94.6 | Very high | 95 Ų | 95 | 77.5 Ų | 77.5 | 44% | 0.444 | 41% | 0.413 | S | S | . | . | H | α-helix | trans | -62.4 | -50.8 | 176.8 | -71.4 | 178.1 | -1.1 | 0 | 0 | 111.4 | R207 K213 Q214 E215 | R207-Q211 WeakPolarHBondContact O-CG 3.34Å; R207-Q211 PolarHBondContact O-N 3.32Å; Q211-K213 VanDerWaalsContact C-N 3.27Å; Q211-K213 PolarHBondContact O-N 3.32Å; Q211-Q214 PolarHBondContact O-N 3.05Å; Q211-Q214 VanDerWaalsContact O-N 3.11Å; Q211-E215 WeakPolarHBondContact O-CG 3.38Å; Q211-E215 PolarHBondContact O-N 2.91Å |
| 212 | S | 95.9 | Very high | 94.3 | Very high | 58 Ų | 58 | 77.4 Ų | 77.4 | 41% | 0.406 | 41% | 0.411 | S | S | . | . | H | α-helix | trans | -60.6 | -35.1 | 178.4 | 59.9 | 0 | 0 | 0 | 0 | 112.8 | D208 F209 A216 | D208-S212 VanDerWaalsContact O-CB 3.32Å; D208-S212 WeakPolarHBondContact O-CB 3.26Å; D208-S212 PolarHBondContact O-N 2.95Å; D208-S212 PolarHBondContact O-OG 3.35Å; F209-S212 WeakPolarHBondContact CA-OG 3.18Å; F209-S212 PolarHBondContact O-OG 2.91Å; S212-A216 VanDerWaalsContact O-CB 3.26Å; S212-A216 WeakPolarHBondContact O-CB 3.33Å; S212-A216 PolarHBondContact O-N 3.45Å |
| 213 | K | 96.8 | Very high | 93.9 | Very high | 110 Ų | 110 | 79.3 Ų | 79.3 | 48% | 0.478 | 42% | 0.42 | S | S | . | . | H | α-helix | trans | -64.4 | -47 | 172.3 | -77.2 | -67.6 | -176.4 | -174.9 | 0 | 112.6 | F209 V210 Q211 A216 E217 | F209-K213 HydrophobicContact CD1-CG 4.2Å; F209-K213 HydrophobicContact CE1-CG 3.85Å; F209-K213 HydrophobicContact CE2-CG 4.24Å; F209-K213 HydrophobicContact CZ-CD 4.2Å; F209-K213 HydrophobicContact CZ-CG 3.89Å; F209-K213 WeakPolarHBondContact O-CB 3.32Å; F209-K213 VanDerWaalsContact O-CG 3.26Å; F209-K213 WeakPolarHBondContact O-CG 3.34Å; F209-K213 PolarHBondContact O-N 2.84Å; V210-K213 PolarHBondContact O-N 3.33Å; Q211-K213 VanDerWaalsContact C-N 3.27Å; Q211-K213 PolarHBondContact O-N 3.32Å; K213-A216 PolarHBondContact O-N 3.28Å; K213-E217 WeakPolarHBondContact O-CG 3.3Å; K213-E217 PolarHBondContact O-N 3.41Å |
| 214 | Q | 96.3 | Very high | 93.5 | Very high | 122 Ų | 122 | 86.2 Ų | 86.2 | 57% | 0.57 | 45% | 0.45 | S | S | * | . | H | α-helix | trans | -63 | -42.8 | 178.2 | -71 | 175.8 | 19.2 | 0 | 0 | 111.8 | V210 Q211 E217 A218 | V210-Q214 WeakPolarHBondContact O-CG 3.21Å; V210-Q214 PolarHBondContact O-N 3.33Å; Q211-Q214 PolarHBondContact O-N 3.05Å; Q211-Q214 VanDerWaalsContact O-N 3.11Å; Q214-E217 PolarHBondContact O-N 3.37Å; Q214-A218 WeakPolarHBondContact O-CB 3.4Å; Q214-A218 PolarHBondContact O-N 3.29Å |
| 215 | E | 96.7 | Very high | 92.8 | Very high | 128 Ų | 128 | 94.8 Ų | 94.8 | 60% | 0.598 | 48% | 0.478 | S | S | * | . | H | α-helix | trans | -64.1 | -41.6 | 176.9 | -71.6 | 177.1 | -176.6 | 0 | 0 | 112.3 | Q211 A218 S219 | Q211-E215 WeakPolarHBondContact O-CG 3.38Å; Q211-E215 PolarHBondContact O-N 2.91Å; E215-A218 PolarHBondContact O-N 2.93Å; E215-S219 VanDerWaalsContact O-CB 3.31Å; E215-S219 WeakPolarHBondContact O-CB 3.41Å; E215-S219 PolarHBondContact O-N 2.94Å; E215-S219 PolarHBondContact O-OG 2.81Å |
| 216 | A | 95.9 | Very high | 92.1 | Very high | 47 Ų | 47 | 97.6 Ų | 97.6 | 39% | 0.388 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -64.2 | -40.7 | 175.4 | 0 | 0 | 0 | 0 | 0 | 111.8 | S212 K213 S219 R220 | S212-A216 VanDerWaalsContact O-CB 3.26Å; S212-A216 WeakPolarHBondContact O-CB 3.33Å; S212-A216 PolarHBondContact O-N 3.45Å; K213-A216 PolarHBondContact O-N 3.28Å; A216-S219 PolarHBondContact O-N 3.49Å; A216-R220 WeakPolarHBondContact O-CB 3.47Å; A216-R220 VanDerWaalsContact O-CG 3.27Å; A216-R220 WeakPolarHBondContact O-CG 3.33Å; A216-R220 PolarHBondContact O-N 3.42Å |
| 217 | E | 95.6 | Very high | 91.1 | Very high | 132 Ų | 132 | 101.7 Ų | 101.7 | 62% | 0.617 | 51% | 0.51 | S | S | * | . | H | α-helix | trans | -66.9 | -43.1 | 174.8 | -75 | -176.5 | 178.3 | 0 | 0 | 112.4 | K213 Q214 S219 R220 A221 | K213-E217 WeakPolarHBondContact O-CG 3.3Å; K213-E217 PolarHBondContact O-N 3.41Å; Q214-E217 PolarHBondContact O-N 3.37Å; E217-S219 VanDerWaalsContact C-N 3.32Å; E217-S219 PolarHBondContact O-N 2.85Å; E217-R220 PolarHBondContact O-N 3.32Å; E217-A221 WeakPolarHBondContact O-CB 3.22Å; E217-A221 PolarHBondContact O-N 2.97Å |
| 218 | A | 94.9 | Very high | 90 | Very high | 60 Ų | 60 | 106.4 Ų | 106.4 | 50% | 0.496 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -61.4 | -41.4 | 174.9 | 0 | 0 | 0 | 0 | 0 | 111.6 | Q214 E215 A221 A222 | Q214-A218 WeakPolarHBondContact O-CB 3.4Å; Q214-A218 PolarHBondContact O-N 3.29Å; E215-A218 PolarHBondContact O-N 2.93Å; A218-A221 PolarHBondContact O-N 3.1Å; A218-A222 WeakPolarHBondContact O-CB 3.27Å; A218-A222 PolarHBondContact O-N 2.88Å |
| 219 | S | 92 | Very high | 88.8 | Confident | 65 Ų | 65 | 108.1 Ų | 108.1 | 46% | 0.455 | 54% | 0.542 | S | S | . | . | H | α-helix | trans | -63.3 | -44.5 | 175.4 | -62.7 | 0 | 0 | 0 | 0 | 111.7 | E215 A216 E217 A222 Q223 | E215-S219 VanDerWaalsContact O-CB 3.31Å; E215-S219 WeakPolarHBondContact O-CB 3.41Å; E215-S219 PolarHBondContact O-N 2.94Å; E215-S219 PolarHBondContact O-OG 2.81Å; A216-S219 PolarHBondContact O-N 3.49Å; E217-S219 VanDerWaalsContact C-N 3.32Å; E217-S219 PolarHBondContact O-N 2.85Å; S219-A222 PolarHBondContact O-N 3Å; S219-Q223 WeakPolarHBondContact O-CG 3.38Å; S219-Q223 PolarHBondContact O-N 2.87Å |
| 220 | R | 91.9 | Very high | 87.5 | Confident | 174 Ų | 174 | 106.7 Ų | 106.7 | 66% | 0.657 | 55% | 0.554 | S | S | * | * | H | α-helix | trans | -63.4 | -41.6 | 174.5 | -74.5 | 173.3 | 176.5 | -170.2 | -1 | 111.7 | A216 E217 Q223 K224 | A216-R220 WeakPolarHBondContact O-CB 3.47Å; A216-R220 VanDerWaalsContact O-CG 3.27Å; A216-R220 WeakPolarHBondContact O-CG 3.33Å; A216-R220 PolarHBondContact O-N 3.42Å; E217-R220 PolarHBondContact O-N 3.32Å; R220-Q223 PolarHBondContact O-N 3.45Å; R220-K224 WeakPolarHBondContact O-CB 2.83Å; R220-K224 VanDerWaalsContact O-CG 3.3Å; R220-K224 WeakPolarHBondContact O-CG 3.33Å; R220-K224 PolarHBondContact O-N 2.78Å |
| 221 | A | 91.1 | Very high | 85.9 | Confident | 48 Ų | 48 | 115 Ų | 115 | 40% | 0.397 | 58% | 0.58 | S | S | . | * | H | α-helix | trans | -63.8 | -43.4 | 176.4 | 0 | 0 | 0 | 0 | 0 | 111.4 | E217 A218 K224 R225 | E217-A221 WeakPolarHBondContact O-CB 3.22Å; E217-A221 PolarHBondContact O-N 2.97Å; A218-A221 PolarHBondContact O-N 3.1Å; A221-K224 PolarHBondContact O-N 2.97Å; A221-R225 WeakPolarHBondContact O-CG 3.47Å; A221-R225 PolarHBondContact O-N 2.82Å |
| 222 | A | 89.7 | Confident | 84.7 | Confident | 46 Ų | 46 | 113.3 Ų | 113.3 | 38% | 0.38 | 59% | 0.588 | S | S | . | * | H | α-helix | trans | -62.7 | -42.4 | 175.7 | 0 | 0 | 0 | 0 | 0 | 112.1 | A218 S219 R225 K226 | A218-A222 WeakPolarHBondContact O-CB 3.27Å; A218-A222 PolarHBondContact O-N 2.88Å; S219-A222 PolarHBondContact O-N 3Å; A222-R225 PolarHBondContact O-N 3.38Å; A222-K226 WeakPolarHBondContact O-CG 3.31Å; A222-K226 PolarHBondContact O-N 3.24Å |
| 223 | Q | 87.1 | Confident | 83 | Confident | 126 Ų | 126 | 119.2 Ų | 119.2 | 59% | 0.589 | 61% | 0.607 | S | S | * | * | H | α-helix | trans | -63.4 | -42.4 | 174.2 | -72.9 | 176.1 | 3.1 | 0 | 0 | 112.2 | S219 R220 R225 K226 T227 | S219-Q223 WeakPolarHBondContact O-CG 3.38Å; S219-Q223 PolarHBondContact O-N 2.87Å; R220-Q223 PolarHBondContact O-N 3.45Å; Q223-R225 VanDerWaalsContact C-N 3.34Å; Q223-R225 PolarHBondContact O-N 2.93Å; Q223-K226 PolarHBondContact O-N 2.98Å; Q223-T227 WeakPolarHBondContact O-CG2 3.43Å; Q223-T227 PolarHBondContact O-N 3.46Å; Q223-T227 PolarHBondContact O-OG1 3.17Å |
| 224 | K | 85.6 | Confident | 81.6 | Confident | 145 Ų | 145 | 122.6 Ų | 122.6 | 63% | 0.63 | 62% | 0.624 | S | S | * | * | H | α-helix | trans | -60 | -42 | 173.8 | -74.8 | 177.7 | 179.8 | -175 | 0 | 112 | R220 A221 T227 Q228 | R220-K224 WeakPolarHBondContact O-CB 2.83Å; R220-K224 VanDerWaalsContact O-CG 3.3Å; R220-K224 WeakPolarHBondContact O-CG 3.33Å; R220-K224 PolarHBondContact O-N 2.78Å; A221-K224 PolarHBondContact O-N 2.97Å; K224-T227 WeakPolarHBondContact CA-OG1 3.33Å; K224-T227 PolarHBondContact O-N 3.33Å; K224-T227 PolarHBondContact O-OG1 2.99Å; K224-Q228 WeakPolarHBondContact O-CG 3.35Å; K224-Q228 PolarHBondContact O-N 2.97Å |
| 225 | R | 81.3 | Confident | 80 | Confident | 201 Ų | 201 | 120 Ų | 120 | 76% | 0.758 | 62% | 0.623 | S | S | * | * | H | α-helix | trans | -66.1 | -36.4 | 175.8 | -67.9 | -176.7 | 84.8 | 173.2 | 7.1 | 112.8 | A221 A222 Q223 | A221-R225 WeakPolarHBondContact O-CG 3.47Å; A221-R225 PolarHBondContact O-N 2.82Å; A222-R225 PolarHBondContact O-N 3.38Å; Q223-R225 VanDerWaalsContact C-N 3.34Å; Q223-R225 PolarHBondContact O-N 2.93Å |
| 226 | K | 78.2 | Confident | 78.7 | Confident | 169 Ų | 169 | 119.8 Ų | 119.8 | 74% | 0.735 | 62% | 0.62 | S | S | * | * | H | α-helix | trans | -69.3 | -35.9 | 175 | -71.7 | 175.1 | 179.2 | -175.7 | 0 | 112.8 | A222 Q223 | A222-K226 WeakPolarHBondContact O-CG 3.31Å; A222-K226 PolarHBondContact O-N 3.24Å; Q223-K226 PolarHBondContact O-N 2.98Å |
| 227 | T | 72.9 | Confident | 77.4 | Confident | 108 Ų | 108 | 123.3 Ų | 123.3 | 66% | 0.663 | 63% | 0.629 | S | S | * | * | H | α-helix | trans | -80.7 | -22.2 | 179.4 | 48.2 | 0 | 0 | 0 | 0 | 113.2 | Q223 K224 I229 | Q223-T227 WeakPolarHBondContact O-CG2 3.43Å; Q223-T227 PolarHBondContact O-N 3.46Å; Q223-T227 PolarHBondContact O-OG1 3.17Å; K224-T227 WeakPolarHBondContact CA-OG1 3.33Å; K224-T227 PolarHBondContact O-N 3.33Å; K224-T227 PolarHBondContact O-OG1 2.99Å; T227-I229 PolarHBondContact O-N 3.29Å |
| 228 | Q | 70.3 | Confident | 75.6 | Confident | 154 Ų | 154 | 128 Ų | 128 | 72% | 0.72 | 64% | 0.641 | S | S | * | * | trans | -70 | 69.5 | 162.8 | -75.6 | -177 | -24.5 | 0 | 0 | 110.1 | K224 | K224-Q228 WeakPolarHBondContact O-CG 3.35Å; K224-Q228 PolarHBondContact O-N 2.97Å | ||
| 229 | I | 69 | Low | 74.3 | Confident | 107 Ų | 107 | 133.8 Ų | 133.8 | 55% | 0.549 | 65% | 0.65 | S | S | . | * | trans | -66.9 | 130.1 | 164 | -61.8 | 165.7 | 0 | 0 | 0 | 106.3 | T227 W231 | T227-I229 PolarHBondContact O-N 3.29Å; I229-W231 HydrophobicContact CG2-CD2 4.44Å; I229-W231 HydrophobicContact CG2-CG 4.29Å; I229-W231 VanDerWaalsContact O-CD1 3.24Å; I229-W231 PolarHBondContact O-N 3.06Å | ||
| 230 | A | 67.5 | Low | 73.1 | Confident | 96 Ų | 96 | 135 Ų | 135 | 79% | 0.793 | 65% | 0.648 | S | S | * | * | trans | -69.6 | 75.7 | 175.3 | 0 | 0 | 0 | 0 | 0 | 109.7 | G232 | A230-G232 PolarHBondContact O-N 3.25Š| ||
| 231 | W | 61.3 | Low | 71.6 | Confident | 224 Ų | 224 | 131.6 Ų | 131.6 | 85% | 0.848 | 65% | 0.647 | S | S | * | * | trans | -71.1 | 13.8 | 168.1 | -67.9 | 95.2 | 0 | 0 | 0 | 112.4 | I229 | I229-W231 HydrophobicContact CG2-CD2 4.44Å; I229-W231 HydrophobicContact CG2-CG 4.29Å; I229-W231 VanDerWaalsContact O-CD1 3.24Å; I229-W231 PolarHBondContact O-N 3.06Å | ||
| 232 | G | 68.6 | Low | 70.3 | Confident | 60 Ų | 60 | 138.3 Ų | 138.3 | 62% | 0.619 | 67% | 0.667 | S | S | * | * | S | Bend | trans | -74.3 | 128.2 | 170.7 | 0 | 0 | 0 | 0 | 0 | 109.2 | A230 E234 | A230-G232 PolarHBondContact O-N 3.25Å; G232-E234 PolarHBondContact O-N 3.46Å |
| 233 | F | 59.9 | Low | 69 | Low | 182 Ų | 182 | 141 Ų | 141 | 80% | 0.798 | 68% | 0.683 | S | S | * | * | trans | -47 | 110.3 | 165.6 | 179.6 | -102.2 | 0 | 0 | 0 | 109.2 | A235 | F233-A235 HydrophobicContact CD1-CB 4.17Å; F233-A235 HydrophobicContact CE1-CB 4.17Å; F233-A235 PolarHBondContact O-N 2.77Å | ||
| 234 | E | 66.9 | Low | 67.8 | Low | 180 Ų | 180 | 142.2 Ų | 142.2 | 84% | 0.841 | 69% | 0.694 | S | S | * | * | trans | -64.9 | 103.6 | 166.8 | -173.3 | 168.7 | -160.4 | 0 | 0 | 106 | G232 K236 | G232-E234 PolarHBondContact O-N 3.46Å; E234-K236 VanDerWaalsContact C-N 3.28Å; E234-K236 PolarHBondContact O-N 3.03Å | ||
| 235 | A | 63 | Low | 66.7 | Low | 67 Ų | 67 | 144 Ų | 144 | 55% | 0.554 | 71% | 0.707 | S | S | * | * | trans | -64.9 | 94.5 | -178.3 | 0 | 0 | 0 | 0 | 0 | 108.6 | F233 Q237 | F233-A235 HydrophobicContact CD1-CB 4.17Å; F233-A235 HydrophobicContact CE1-CB 4.17Å; F233-A235 PolarHBondContact O-N 2.77Å; A235-Q237 PolarHBondContact O-N 3.37Å | ||
| 236 | K | 69.3 | Low | 65.8 | Low | 125 Ų | 125 | 137.4 Ų | 137.4 | 54% | 0.543 | 70% | 0.701 | S | S | . | * | trans | -54.7 | 127.3 | 176 | -144.3 | 170.8 | -169.9 | 174 | 0 | 108.2 | E234 R238 E240 T241 | E234-K236 VanDerWaalsContact C-N 3.28Å; E234-K236 PolarHBondContact O-N 3.03Å; K236-R238 PolarHBondContact O-N 3.44Å; K236-E240 HydrophobicContact CD-CB 4.23Å; K236-E240 WeakPolarHBondContact CE-OE2 3.13Å; K236-E240 HydrophobicContact CG-CB 3.98Å; K236-E240 WeakPolarHBondContact CG-OE2 3.1Å; K236-T241 HydrophobicContact CD-CG2 4.31Å | ||
| 237 | Q | 69.8 | Low | 64.8 | Low | 121 Ų | 121 | 141.2 Ų | 141.2 | 57% | 0.565 | 71% | 0.713 | S | S | * | * | trans | -61.4 | 138.8 | -179.2 | -67.1 | -67.3 | -26.4 | 0 | 0 | 109 | A235 W239 E240 | A235-Q237 PolarHBondContact O-N 3.37Å; Q237-W239 HydrophobicContact CB-CG 4.43Å; Q237-W239 HydrophobicContact CB-CZ2 4.4Å; Q237-W239 PolarHBondContact O-N 2.9Å; Q237-E240 PolarHBondContact O-N 2.9Å | ||
| 238 | R | 58.1 | Low | 63.6 | Low | 230 Ų | 230 | 148.7 Ų | 148.7 | 87% | 0.868 | 74% | 0.743 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -52 | -25.9 | -170.1 | -80.7 | -177.7 | 164.5 | 112.1 | -3.4 | 114.8 | K236 T241 | K236-R238 PolarHBondContact O-N 3.44Å; R238-T241 PolarHBondContact O-OG1 2.95Å |
| 239 | W | 67.8 | Low | 63.2 | Low | 182 Ų | 182 | 148.5 Ų | 148.5 | 69% | 0.689 | 75% | 0.745 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -75.9 | -19.3 | 179.4 | 56.8 | -92.8 | 0 | 0 | 0 | 114 | Q237 | Q237-W239 HydrophobicContact CB-CG 4.43Å; Q237-W239 HydrophobicContact CB-CZ2 4.4Å; Q237-W239 PolarHBondContact O-N 2.9Å |
| 240 | E | 66.6 | Low | 62.9 | Low | 89 Ų | 89 | 150.6 Ų | 150.6 | 42% | 0.416 | 76% | 0.755 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -86.7 | -26.2 | 179 | -67 | -176 | 176.5 | 0 | 0 | 113.5 | K236 Q237 | K236-E240 HydrophobicContact CD-CB 4.23Å; K236-E240 WeakPolarHBondContact CE-OE2 3.13Å; K236-E240 HydrophobicContact CG-CB 3.98Å; K236-E240 WeakPolarHBondContact CG-OE2 3.1Å; Q237-E240 PolarHBondContact O-N 2.9Å |
| 241 | T | 59.1 | Low | 62.7 | Low | 103 Ų | 103 | 153.7 Ų | 153.7 | 63% | 0.632 | 75% | 0.753 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -82.5 | -8 | -179.4 | 23.3 | 0 | 0 | 0 | 0 | 114.6 | K236 R238 | K236-T241 HydrophobicContact CD-CG2 4.31Å; R238-T241 PolarHBondContact O-OG1 2.95Å |
| 242 | K | 63.9 | Low | 62.8 | Low | 189 Ų | 189 | 149.5 Ų | 149.5 | 82% | 0.822 | 75% | 0.747 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -122.8 | 31.8 | -170.1 | -156.2 | -168.8 | 170.5 | 72 | 0 | 113.9 | ||
| 243 | S | 64 | Low | 62.4 | Low | 102 Ų | 102 | 155.1 Ų | 155.1 | 71% | 0.713 | 76% | 0.755 | S | S | * | * | S | Bend | trans | -143.7 | 66.4 | 176.1 | -175 | 0 | 0 | 0 | 0 | 112.3 | ||
| 244 | N | 60.6 | Low | 62.6 | Low | 152 Ų | 152 | 153.3 Ų | 153.3 | 81% | 0.813 | 75% | 0.752 | S | S | * | * | S | Bend | trans | -162.5 | 43.7 | 156.9 | -155.4 | 28.6 | 0 | 0 | 0 | 113.8 | ||
| 245 | M | 63.7 | Low | 62.2 | Low | 184 Ų | 184 | 151.4 Ų | 151.4 | 91% | 0.906 | 75% | 0.746 | S | S | * | * | S | Bend | trans | -126 | 23.1 | -177.3 | -76.7 | -53.3 | -36.1 | 0 | 0 | 115.9 | ||
| 246 | G | 62.2 | Low | 62.2 | Low | 62 Ų | 62 | 157.9 Ų | 157.9 | 64% | 0.639 | 76% | 0.761 | S | S | * | * | trans | -175.5 | 76.2 | 176.5 | 0 | 0 | 0 | 0 | 0 | 115.3 | ||||
| 247 | Y | 56.5 | Low | 61.6 | Low | 248 Ų | 248 | 160.7 Ų | 160.7 | 97% | 0.973 | 78% | 0.779 | S | S | * | * | trans | -138.8 | 82 | 147.9 | -82.4 | -79.3 | 0 | 0 | 0 | 107 | ||||
| 248 | M | 47.1 | Very low | 60.9 | Low | 266 Ų | 266 | 164.3 Ų | 164.3 | 100% | 1.31 | 80% | 0.798 | S | S | * | * | trans | -133.6 | 0 | 157.6 | -78.9 | -169.7 | 111.2 | 0 | 0 | 107.4 |
Retrieved 248 of 248 residues in 476.5 ms
(Link to these results)