Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MTQLDARYAIILAAGKGTRMKSKLYKVLHPVSGKPMVEHIINRVSETKPDEVITIVGHGAEQVKAQLGERSK-------YALQAEQLGTGHAVLQAASFL-EGKKGTTLVISGDTPLLTTETLNNLFEYHQGKNASATILTAQAENPTGYGRIIRDHIGIVEKIVEQKDATPEEALVQEINTGTYCFDNEALFDALSKVGTNNAQGEYYLTDIIEILKEEGHTVAAYQTDDFEESMGVNDRIALAKANEIMRKRINQMHMVNGVSFVDSATTYIDAGVEIGPDTLIEAGVQIQGNTVIGSDCVIGSHSKIVDSRIEDHVVIENSVIESSHVKKHADVGPYAHLRPKAEIGENVHIGNFVEVKNAQIGKGTKVGHLTYVGDATLGEEINVGCGVVFVNYDGKNKHHTTVGDHSFIGSSTNIIGPVEVAKNSSIAAGSTITDNIPEYALAIARARQVNKEGYAKKLPYLN 2QKX Chain:A ((12-391)) ---------LVLAAGPGTRMRSDTPKVLHTLAGRSMLSHVLHAIAKLAPQRLIVVLGHDHQRIAPLVGELADTLGRTIDVALQDRPLGTGHAVLCGLSALPDDYAGNVVVTSGDTPLLDADTLADLIATHRAVSAAVTVLTTTLDDPFGYGRILRTQDHEVMAIVEQTDATPSQREIREVNAGVYAFDIAALRSALSRLSSNNAQQELYLTDVIAILRSDGQTVHASHVDDSALVAGVNNRVQLAELASELNRRVVAAHQLAGVTVVDPATTWIDVDVTIGRDTVIHPGTQLLGRTQIGGRCVVGPDTTLTDVAVGDGASVVRTHGSSSSIGDGAAVGPFTYLRPGTALGADGKLGAFVEVKNSTIGTGTKVPHLTYVGDADIGEYSNI-------------------------------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 2QKX.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 : 2143 -9119 -4.26 -24.51 target 2D structure prediction score : 0.58 Monomeric hydrophicity matching model chain A : 0.77 3D Compatibility (PKB) : -4.26 2D Compatibility (Sec. Struct. Predict.) : 0.58 1D Compatibility (Hydrophobicity) : 0.77 QMean score : 0.501

(partial model without unconserved sides chains): PDB file : Tito_2QKX.pdb: (Unconserved sides chains are recalculated) : Sequence: align-2QKX-query.scw PDB file : Tito_Scwrl_2QKX.pdb: