Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MEKKLSIAIDGPAAAGKSTVAKIVAEKKSYIYIDTGAMYRAITYAALQENVDLTDEEKLAELLKRTDIELITTKDGQKVFVNGTDVTEAIRTDEISNQVSIAAKHRSVREEMVKRQQQLGEKGGVVMDGRDIGTHVLPNAEVKIFLLASVEERAKRRYEENVKKGFDVNYETLIEEIARRDKLDSEREVSPLRKAEDALEIDTTSLSIQEVADKILEAVEQKSR 2CMK Chain:A ((8-223)) ------ITIDGPSGAGKGTLCKAMAEALQWHLLDSGAIYRVLALAALHHHVDVASEDALVPLASHLDVRFVSTNGNLEVILEGEDVSGEIRTQEVANAASQVAAFPRVREALLRRQRAFRELPGLIADGRDMGTVVFPDAPVKIFLDASSEERAHRRMLQLQEKGFSVNFERLLAEIKERDDRDRNRAVAPLVPAADALVLDSTTLSIEQVIEKALQYARQK--

General information: TITO was launched using: RESULT: Template: 2CMK.pdb Alignment : align.pir Tito was launched with SMD and SCWRL Tito text output Monomeric PKB - chain A - contact count / total energy / energy per contact / energy per residue : 994 -107601 -108.25 -498.15 target 2D structure prediction score : 0.76 Monomeric hydrophicity matching model chain A : 0.83 3D Compatibility (PKB) : -108.25 2D Compatibility (Sec. Struct. Predict.) : 0.76 1D Compatibility (Hydrophobicity) : 0.83 QMean score : 0.604

(partial model without unconserved sides chains): PDB file : Tito_2CMK.pdb: (Unconserved sides chains are recalculated) : Sequence: align-2CMK-query.scw PDB file : Tito_Scwrl_2CMK.pdb: