Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MKTIQIAIDGPASSGKSTVAKIIAKDFGFTYLDTGAMYRAATYMALKNQLGVEEVEALLALLDQHPISFGRSETGDQLVFVGDVDITHPIRENEVTNHVSAIAAIPEVREKLVSLQQEIAQQGGIVMDGRDIGTVVLPQAELKIFLVASVDERAERRYKENIAKGIETDLETLKKEIAARDYKDSHRETSPLKQAEDAVYLDTTGLNIQEVVEKIKAEAEKRM 2FEM Chain:A ((8-224)) -----ITIDGPSGAGKGTLCKAMAEALQWHLLDSGAIYRVLALAALHHHVDVASEDALVPLASHLDVRFVSTNGNLEVILEGE-DVSGEIRTQEVANAASQVAAFPRVREALLRRQRAFRELPGLIADGRDMGTVVFPDAPVKIFLDASSEERAHRRMLQLQEKGFSVNFERLLAEIK-------------LVPAADALVLDSTTLSIEQVIEKALQYARQKL

General information: TITO was launched using: RESULT: Template: 2FEM.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 : 968 -117390 -121.27 -575.44 target 2D structure prediction score : 0.77 Monomeric hydrophicity matching model chain A : 0.81 3D Compatibility (PKB) : -121.27 2D Compatibility (Sec. Struct. Predict.) : 0.77 1D Compatibility (Hydrophobicity) : 0.81 QMean score : 0.564

(partial model without unconserved sides chains): PDB file : Tito_2FEM.pdb: (Unconserved sides chains are recalculated) : Sequence: align-2FEM-query.scw PDB file : Tito_Scwrl_2FEM.pdb: