Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MNQSQSGLKKELKTRHMTMISIAGVIGAGLFVGSGSVIHSTGPGAVVSYALAGLL-VIFIMRMLGEMSAVNP-TSGSFSQYAHDAIGPWAGFTIGWLYWFFWVIVIA---IEAIAGAGIIQYWFHDI-----PLWLTSLILTIVLTLTNVYSVKSFGEFEYWFSLIKVVTIIAFLIVGFAFIFGFAPGSEPVGFSNLTGKGGFF-PEGISSVLLGIVVVIFSFMGTEIVAIAAGETSNPIESVTKATRSVVWRIIVFYVGSIAIVVALLPWNSANIL---ESPFVAVLEHIGV--PAAAQIMNFIVLTAVLSCLNSGLYTTSRMLYSLAERNEAPRRFMKLSKKGVPVQAIVAGTFFSYIAVVMNY-FSPDTVFLFLV--NSSGAIALLVYLVIAVSQLKMRKKLEKTNPEALKIKMWLF----PFLTYLTIIAICGILVSMAFIDSMRDELLLTGVITGIVLISYLVFRKRKVSEKAAANPVTQQQPDILP 4DJK Chain:A ((12-457)) ----------QLTLLGFFAITASMVMA--VYEYP--TFATSGFSLVFFLLLGGILWFIPVGLCAAEMATVDGW---GVFAWVSNTLGPRWGFAAISFGYLQIAIGFIPMLYFVLGALSYILKW-PALNEDPITKTIAALIILWALALTQFGGTKYTARIAKVGFFAGILLPAFILIALAAIYLH-----------------TFFPDFSKVGTLVVFVAFILSYMGVEASATHVNEMSNPGRDYPLAMLLLMVAAICLSSVGGLSIAMVIPGNEINLSAGVMQTFTVLMSHVAPEIEWTVRVISALLLLGVLAEIASWIVGPSRGMYVTAQKNLLPAAFAKMNKNGVPVTLVISQLVITSIALIILTNTGGGNNMSFLIALALTVVIYLCAYFMLFIGYIVLVLKHPD-L--KRTFNIPGGKGVKLVVAIVGLLTSIMAFIVSFLP-----------------------------------------------

General information: TITO was launched using: RESULT: Template: 4DJK.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 : 1852 -373415 -201.63 -972.43 target 2D structure prediction score : 0.61 Monomeric hydrophicity matching model chain A : 0.69 3D Compatibility (PKB) : -201.63 2D Compatibility (Sec. Struct. Predict.) : 0.61 1D Compatibility (Hydrophobicity) : 0.69 QMean score : 0.281

(partial model without unconserved sides chains): PDB file : Tito_4DJK.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4DJK-query.scw PDB file : Tito_Scwrl_4DJK.pdb: