Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MFFLTKFVKPMQPYILVLYYSKYGSTKEMAHLIANGVESA-GMNVKIRTVPNIATVVTEAEPSIPEEGDIYCTLEELANCAGLALGSPTRFGNMASEMKYFWDQTTNLWLNGALHNKPACVFTSSGSMHGGQESTLLTMLPPLFHHGMMILGLPNSIPALSNTKT--GGTPYGASHVSGPRHDQSLSQDEKNLCEAQGKRLGEIVKKLYS 3B6K Chain:B ((4-196)) --------------VLVLYYSMYGHIETMARAVAEGASKVDGAEVVVKRVPETMPPQLFEKAGGKTQTAPVATPQELADYDAIIFGTPTRFGNMSGQMRTFLDQTGGLWASGALYGKLASVFSSTGT-GGGQEQTITSTWTTLAHHGMVIVPIGYAAQELFDVSQVRGGTPYGATTIAGGDGSRQPSQEELSIARYQGEYVAGLAVKL--

General information: TITO was launched using: RESULT: Template: 3B6K.pdb Alignment : align.pir Tito was launched with SMD and SCWRL Tito text output Monomeric PKB - chain B - contact count / total energy / energy per contact / energy per residue : 1102 -51117 -46.39 -269.04 target 2D structure prediction score : 0.66 Monomeric hydrophicity matching model chain B : 0.77 3D Compatibility (PKB) : -46.39 2D Compatibility (Sec. Struct. Predict.) : 0.66 1D Compatibility (Hydrophobicity) : 0.77 QMean score : 0.411

(partial model without unconserved sides chains): PDB file : Tito_3B6K.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3B6K-query.scw PDB file : Tito_Scwrl_3B6K.pdb: