Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MFFLTKFVKPMQPYILVLYYSKYGSTKEMAHLIANGVESA-GMNVKIRTVPNIATVVTEAEPSIPEEGDIYCTLEELANCAGLALGSPTRFGNMASEMKYFWDQTTNLWLNGALHNKPACVFTSSGSMHGGQESTLLTMLPPLFHHGMMILGLPNSIPALSNTKT--GGTPYGASHVSGPRHDQSLSQDEKNLCEAQGKRLGEIVKKLYS 2R96 Chain:A ((4-196)) --------------VLVLYYSMYGHIETMARAVAEGASKVDGAEVVVKRVPETMPPQLFEKAGGKTQTAPVATPQELADYDAIIFGTPTRFGNMSGQMRTFLDQTGGLWASGALYGKLASVFSSTGT-GGGQEQTITSTWTTLAHHGMVIVPIGYAAQELFDVSQVRGGTPYGATTIAGGDGSRQPSQEELSIARYQGEYVAGLAVKL--

General information: TITO was launched using: RESULT: Template: 2R96.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 : 1067 -51082 -47.87 -268.85 target 2D structure prediction score : 0.67 Monomeric hydrophicity matching model chain A : 0.77 3D Compatibility (PKB) : -47.87 2D Compatibility (Sec. Struct. Predict.) : 0.67 1D Compatibility (Hydrophobicity) : 0.77 QMean score : 0.439

(partial model without unconserved sides chains): PDB file : Tito_2R96.pdb: (Unconserved sides chains are recalculated) : Sequence: align-2R96-query.scw PDB file : Tito_Scwrl_2R96.pdb: