Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MEKLYDVIVVGAGTSGMMAAISAAEQGARVLLIEKNKKAGKKLLMTGGGRCNVTNNRPVDDLIAH-IPGNGKFLYSTFAQWNNFDIMNFFESQGVHLKEEDHGRMFPVTNKSKTIIEALLNRLKELDVTLLFST---RVEKLIHKEHKIYGIRTEFEEFHAPAIILTTGGRTYPSTGSTGDGYKIVKRVGHTVTPLYATESPLISDEPYIQEKTLQGLSLQDITLRVLNKKGRVLTEHTMDLLFTHFGISGPAALRCSSFVNKELEKTGEPV-TLSLDCFPTQTKQELIHILTEKSKATKKNLVNAWHGILPERLLVFFLERLEMDHLTGQQASQKQIQDFVQLCKEFKLSINKTFPIEKSFVTGGGVSLKEIYPKTLESKIIDGLYFAGELLDVNGYTGGFNITAAFATGHVAGMNAGQRA 2GQF Chain:A ((8-401)) -------IIIGAGAAGLFCAAQLAKLGKSVTVFDNGKKIGRKILMSGGGFCNFTN---LEVTPAHYLSQNPHFVKSALARYTNWDFISLVAEQGITYHEKELGQLF-CDEGAEQIVEMLKSECDKYGAKILLRSEVSQVERIQNDEKVRFVLQVNSTQWQCKNLIVATGGLSMPGLGATPFGYQIAEQFGIPVIPPRASLVPFTYRETDKFLTALSGISL-PVTITALCGK-----SFYNQLLFTHRGISGPAVLQISNY--------WQPTESVEIDLLPNHNVEEEIN--QAKQSSPKQMLKTILVRLLPKKLVELWIEQGIVQDEVIANISKVRVKNLVDFIHHWEFTPNGTEGYRTAEVTMGGVDTKVISSKTMESNQVSGLYFIGEVLDVTGWLGGYNFQWAWSSAYACALSISRQ-

General information: TITO was launched using: RESULT: Template: 2GQF.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 : 2283 -45665 -20.00 -117.39 target 2D structure prediction score : 0.56 Monomeric hydrophicity matching model chain A : 0.78 3D Compatibility (PKB) : -20.00 2D Compatibility (Sec. Struct. Predict.) : 0.56 1D Compatibility (Hydrophobicity) : 0.78 QMean score : 0.430

(partial model without unconserved sides chains): PDB file : Tito_2GQF.pdb: (Unconserved sides chains are recalculated) : Sequence: align-2GQF-query.scw PDB file : Tito_Scwrl_2GQF.pdb: