Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence -------------------------------------------MQTLVTKGDLNELFRSHLEKAIN---TLLRTELTAFLDYEKYDRTGFNSGNSRNGSYFRSIKTEYGELTLE----------------IPRDRNGEFKQQTLPAYKRTNDTLETTII-------HLFEKGVTMSEIADLIEKMY---GHHYTPQTMSNMTKVLTE----EVNAFKSRALNDKYVAIFMDA--------TYIPLKRQ---TVSKEAIYIAIGIRED-------------GTKEVLSYAIAPTESTYVWNELLQDINSRGVQEVLLFITDGLKGMKDTIHQIYPKAKYQHCCIHVSRNIAHKVRVKDRKEICDDFKAVYQANSKEEANTFLSGMIEKWKKNYPKVTQSLIENQDLLTFYDFPPSIRRT---IYSTNLIESFNKQIKR-----YSRRKEQFQNEESLERFLVSIFDTYNQKFLN---------RSHKGFQQVTDTLVSMFTE----- 3KZW Chain:A ((22-515)) SNAMNFKLNNTLSNEINTLIIGIPEHLNQLERISFNHIDITESLERLKHQHIIGSKVGKIYTTAFDVQDQTYRLITVGLGNLKTRSYQDMLKIWGHLFQYIKSEHIEDTYLLMDSFISKYDQLSDVLMACGIQSERATYEFDHYKSSKKAPFKTNLNLISESLIELDFIHEGISIGQSINLARDFSNMPPNVLTPQTFAEDIVNHFKNTKVKVDVKDYDTLVSEGFGLLQAVGKGSKHKPRLVTITYNGKDKDEAPIALVGKGITYDSGGYSIKTKNGMATMKFDMCGAANVVGIIEAASRLQLPVNIVGVLACAENMINEASMKPDDVFTALSGETVE----------VMNTDAEGRLVLADAVFYANQYQP--SVIMDFATLTGAAIVALGDDKAAAFESNSKVILNDILQISSEVDEMVFELPITATERASIKHSDIADLVNHTNGQGKALFAASFVTHFSGQTPHIHFDIAGPATTNKASYNGPKGPTGFMIPTIVQWLKQQ

General information: TITO was launched using: RESULT: Template: 3KZW.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 : 2007 33608 16.75 90.34 target 2D structure prediction score : 0.40 Monomeric hydrophicity matching model chain A : 0.63 3D Compatibility (PKB) : 16.75 2D Compatibility (Sec. Struct. Predict.) : 0.40 1D Compatibility (Hydrophobicity) : 0.63 QMean score : 0.142

(partial model without unconserved sides chains): PDB file : Tito_3KZW.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3KZW-query.scw PDB file : Tito_Scwrl_3KZW.pdb: