Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MKLHPMWENYPALSKELTETLKRMEETVRLKNKPVEQAIKETIHAGGKLLRPAYQLLFSQF-GPEQDRDKAIALAASIEMLHTATLIHDDIVDEADLRRGQPNIRSQFGNVVSVYAGDYLFVCCFKLLSDYSTSLKSLQLNSRSMEKVLNGELGQMDDRYNYELSVKEYLENISGKTAELFQLSCSVGAFESGTSERFAKKAGDIGLSIGMAFQIIDDILDYTKESQEIGKPVLEDMRQGVYSLPLIYSLQKNKP-K-LLPYLEKKAAMTEEDVDAVRKIVEHTGGVEEARKLAASYTEKALKEIKKLPATSLRTKENLFSLTQLILDRKD 5H9D Chain:B ((5-319)) -----------NMNNEIKKVEQRLEKAIKSKDSVLEQASLHLLSSGGKRVRPAFVILSSQFGKDEQTSEQTYQVAVALELIHMATLVHDDVIDKSDKRRGKLTISKKWDQTTAILTGNFLLALGLEHLMAVK-DNRVHQLISESIVDVCRGELFQFQDQFNSQQTIINYLRRINRKTALLIQISTEVGAITSQSDKETVRKLKMIGHYIGMSFQIIDDVLDFTSTEKKLGKPVGSDLLNGHITLPILLEMRKNPDFKLKIEQLRRD--SERKEFEECIQIIRKSDSIDEAKAVSSKYLSKALNLISELPDG--HPKSLLLSLTKKMGSRNT

General information: TITO was launched using: RESULT: Template: 5H9D.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 : 1472 -30470 -20.70 -97.66 target 2D structure prediction score : 0.61 Monomeric hydrophicity matching model chain B : 0.79 3D Compatibility (PKB) : -20.70 2D Compatibility (Sec. Struct. Predict.) : 0.61 1D Compatibility (Hydrophobicity) : 0.79 QMean score : 0.534

(partial model without unconserved sides chains): PDB file : Tito_5H9D.pdb: (Unconserved sides chains are recalculated) : Sequence: align-5H9D-query.scw PDB file : Tito_Scwrl_5H9D.pdb: