Table 3.
Results of in silico analysis of wild-type and mutated RUNX2 proteins.
| Protein/Amino Acid ID | PolyPhen2/MutationTaster/PROVEAN/SIFT (Score) | Log of Force Field Energy (KJ/mol) | I-Mutant 2.0 | Secondary Structure Changes | |||
|---|---|---|---|---|---|---|---|
| Structural Molding | # of α-Helix | # of β-Leaf | # of Hydrogen Bonds |
||||
| RUNX2 wild-type | - | 14.48 | - | - | 6 | 7 | NA |
| RUNX2 p.Gln180 | NA | 18.45 | NA | Folded | 5 | 11 | NA |
| RUNX2 p.Glu221 | NA | 15.00 | NA | Folded | 4 | 11 | NA |
| RUNX2 p.Gln225 | NA | 15.40 | NA | Folded | 7 | 9 | NA |
| p.Lys218Serfs*17 | 1.000/disease causing (1.0)/NA/NA | 12.51 | NA | Truncated | 3 | 8 | NA |
| Ala180 | - | 5.53 | - | NA | NA | NA | 0 |
| Gln180 | 1.000/disease causing (0.99)/deleterious (−4.66)/damaging (0.00) | 6.24 | −1.72 | NA | NA | NA | 1 |
| Val221 | - | 2.59 | - | NA | NA | NA | 2 |
| Glu221 | 1.000/disease causing (0.99)/deleterious (−5.85)/damaging (0.00) | 7.99 | −1.69 | NA | NA | NA | 0, Gain of a covalent bond |
| Arg225 | - | 7.99 | - | NA | NA | NA | 2 |
| Gln225 | 0.980/disease causing (0.99)/deleterious (−3.8)/damaging (0.03) | 6.46 | −1.03 | NA | NA | NA | 0 |
NA: Not applicable.