Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MQKDHVGAVYELLNEAAIMIKNELQISYIEALAEAGEMYFLEKTDQLKLPADQKTKQLQALLEKAEFGTYEHEWVRKAFQLAVLKGMKDISHPNRQMTPDTIGLFISYLVNKFMADKKELTILDPALGTGNLLFTVLNQLSEKTANSFGIEIDDVLLKIAYAQANLLKKELELFHQDSLEPLFIDPVDTVICDLPVGYYPNDEGAEAFELKADEGHSFAHHLFIE-QSVKHTKPGG-YLFFMIPNHLFESSQSGKLKQFFKDKVHINALLQLPKSIFKDEAHAKSILVLQKQGENTKAPGQILLANLPSFSNQKAMLDMMAQFDEWFKKEK 3B89 Chain:A ((3-251)) NINDALTSI--------------LASKKYRALCPDTVRRILTEEWGRHKSPKQTVEAARTRLHGI-CGAVTPESLKAAAAALSAGDVKKALSLHASTKERL--AELDTLYDFIFSAETPRRVLDIACGLNPLALYE-----RGIASVWGCDIHQGLGDVITPFAREKDWDFTFALQDVLCAPPAEAGDLALIFKLLPLLEREQAG------------------SAMALLQSLNTPRMAVSFPTRS---EANYAAWFEGGLPAEFEIEDKKTIGT---------ELIYLIKKN---------------------------------------

General information: TITO was launched using: RESULT: Template: 3B89.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 : 1214 -79838 -65.76 -335.45 target 2D structure prediction score : 0.54 Monomeric hydrophicity matching model chain A : 0.65 3D Compatibility (PKB) : -65.76 2D Compatibility (Sec. Struct. Predict.) : 0.54 1D Compatibility (Hydrophobicity) : 0.65 QMean score : 0.293

(partial model without unconserved sides chains): PDB file : Tito_3B89.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3B89-query.scw PDB file : Tito_Scwrl_3B89.pdb: