Table 5. Site non-optimality analysis of 20 standard amino acids for protein crystallizability.
| AAs | Number |
Ci threshold of site nonoptimality |
|||||
|---|---|---|---|---|---|---|---|
| 0.005 | 0.01 | 0.02 | 0.05 | 0.1 | 0.2 | ||
| Total | 645599 | 52.2% | 32.2% | 15.3% | 4.08% | 1.22% | 0.33% |
| A | 57068 | 53.8% | 27.4% | 9.68% | 1.54% | 0.24% | 0.21% |
| C | 8137 | 85.7% | 73.8% | 45.9% | 16.1% | 4.48% | 0.96% |
| D | 34265 | 46.9% | 29.7% | 15.7% | 5.05% | 1.48% | 0.34% |
| E | 39524 | 25.5% | 16.6% | 9.55% | 3.94% | 1.73% | 0.75% |
| F | 27004 | 59.1% | 42.3% | 24.3% | 6.65% | 2.00% | 0.42% |
| G | 45831 | 36.9% | 18.0% | 6.12% | 1.23% | 0.32% | 0.08% |
| H | 14891 | 50.2% | 38.5% | 26.2% | 12.9% | 7.20% | 4.02% |
| I | 36964 | 53.7% | 35.5% | 17.0% | 4.05% | 1.02% | 0.16% |
| K | 32967 | 37.0% | 20.2% | 9.45% | 2.77% | 1.00% | 0.27% |
| L | 68034 | 59.1% | 40.2% | 20.3% | 5.88% | 1.81% | 0.51% |
| M | 14613 | 56.3% | 34.7% | 15.6% | 3.60% | 0.82% | 0.07% |
| N | 25557 | 76.7% | 53.1% | 27.6% | 7.09% | 1.86% | 0.33% |
| P | 29532 | 45.5% | 23.6% | 9.33% | 1.81% | 0.38% | 0.04% |
| Q | 24284 | 53.0% | 30.8% | 13.8% | 3.25% | 0.82% | 0.11% |
| R | 35632 | 74.6% | 49.5% | 24.9% | 6.13% | 1.55% | 0.29% |
| S | 44801 | 72.5% | 45.5% | 22.0% | 5.34% | 1.38% | 0.23% |
| T | 35036 | 44.4% | 23.4% | 8.66% | 1.78% | 0.33% | 0.03% |
| V | 43817 | 46.2% | 25.9% | 10.1% | 1.95% | 0.49% | 0.06% |
| W | 9114 | 37.0% | 23.2% | 10.4% | 2.40% | 0.51% | 0.08% |
| Y | 20786 | 46.0% | 25.5% | 9.64% | 1.76% | 0.33% | 0.01% |
Crysalis performed the computational design of the CRYs class using proteins currently classified as non-crystallizable in the independent test datasets with 25% sequence identity.