Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MKTLRTLCVLMILSGVIFFGLKIDAKDIDIPFLNSLKKVVSDSDTDSAANSKKELKGSAKPLDVILYNQMDAPRLYNGCEVTSLAMVLNYAGYDVTKNTLANQVATVPLTYSSGLKGDPNDGFVGDMANGPGLGVYHRPIYQLAKTYAGDKVSDLTGKSISAVYQQLEKGNPVWVITTANFTPVDNMQTWKTPNGTIEITYSEHSVAVTGYDDKYVYLNDPYGYKNRKTDRTSFEKAWKQMGSQAVVIQK 4RY2 Chain:A ((12-146)) -----------------------------------------------------------------CVRQYD----LTDCGAACLSSIAQYYGLKMSLAKIREMTGTDT----------------------Q--GTNAYGLIHAAKQLGF-SAKGVK-ASKEDLLK--DFRLPAIANVIVD-------------------NRLAHFVVIYSIKNRIITVADPGKGI-VRYSMDDFCSIWTG----------

General information: TITO was launched using: RESULT: Template: 4RY2.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 : 562 -61487 -109.41 -499.89 target 2D structure prediction score : 0.66 Monomeric hydrophicity matching model chain A : 0.58 3D Compatibility (PKB) : -109.41 2D Compatibility (Sec. Struct. Predict.) : 0.66 1D Compatibility (Hydrophobicity) : 0.58 QMean score : 0.341

(partial model without unconserved sides chains): PDB file : Tito_4RY2.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4RY2-query.scw PDB file : Tito_Scwrl_4RY2.pdb: