Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MSKTVVLAEKPSVGRDLARVLKCH--KKGNG------YLE------G--DQYIVTWALGHLVTLADPEGYGKEFQSWRLEDLPIIPEPLKLVVIKKTGKQFNAVKSQL----TRKDVNQIVIATDAGREGELVARWIIEKANV---RKPIKRLWISSVTDKAIKEGFQKLRSGKEYENLYHSAVARAEADWIVGINATRALTTKFN---------AQLSCGRVQTPTLAMIAKREADIQAFTPVPYYGIRAAVDG----MTLTWQDKKSKQTRTFNQDVTSRLLKNLQG-KQAVVAELKKTAKKSFAPALYDLTELQRDAHKRFGFSAKETLSVLQKLYEQHKLVTYPRTDSRFLSSDIVPTLKDRLEGMEVKP-YAQYVSQIKKRGIKSHKGYVNDAKVSDHHAIIPTEEPLVLSSLSDKERKLYDLIAKRFLAVLMPAFEYEETKVIAEIGGETFTAKGKTVQSQGWKAVYDMAEEDDEQEDDRDQTLPALQKGDTLAVRTLTETSGQTKPPARFNEGTLLSAMENPSAFMQGEEKGLVKTLGETGGLGTVATRADIIEKLFNSFLIEKK-GQDIFITSKGKQLLQLVPE---DLKSPALTAEWEQKLSAIAAGKLKSAVFIKDMKAYA----HQTVKEIKN-S-SQT--F----RHDNITGTACPECGKMMLKVNGKRGTMLVCQDRECGSRKTIARKTNARCPNCHKRMELRGQGEGQTFACVCGHREKLSVFEKRKNKDKARATKRDVSSYMKKQNKDEPINNALAEQLKKLGLDK 4CGY Chain:A ((34-640)) VRKVLCVAEKNDAAKGIADLLSNGRMRRREGLSKFNKIYEFDYHLYGQNVTMVMTSVSGHLLAHDFQMQF----RKWQ-SCNPLVLFEAEIEK--YCPENFVDIKKTLERETRQC--QALVIWTDCDREGENIGFEIIHVCKAVKPNLQVLRARFSEITPHAVRTACENLTEPDQ--RVSDAVDVRQELDLRIGAAFTRFQTLRLQRIFPEVLAEQLISYGSCQFPTLGFVVERFKAIQAFVPEIFHRIKVTHDHKDGIVEFNWK-----RHRLFNHTACLVLYQLCVEDPMATVVEVRSKPKSKWRPQALDTVELEKLASRKLRINAKETMRIAEKLYTQ-GYISYPRTETNIFPRDLN--LTVLVEQQTPDPRWGAFAQS--ILERGGPTPRNGNKSDQAHPPIHPTKYTN---NLQGDEQRLYEFIVRHFLACCSQDAQGQETTVEIDIAQERFVAHGLMILARNYLDVYPYDHW-------SDKILPVYEQGSHFQPSTVEMVDGETSPPKLLTEADLIALME-------------------KHGIGTDATHAEHIETIKARMYVGLTPDKRFLPGHLGMGLVEGYDSMGYEMSKPDLRAELEADLKLICDGKKDKFVVLRQQVQKYKQVFIEAVAKAKKLDEALAQYFGNGT----------------------------------------------------------------------------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 4CGY.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 : 2854 -213755 -74.90 -386.54 target 2D structure prediction score : 0.59 Monomeric hydrophicity matching model chain A : 0.70 3D Compatibility (PKB) : -74.90 2D Compatibility (Sec. Struct. Predict.) : 0.59 1D Compatibility (Hydrophobicity) : 0.70 QMean score : 0.447

(partial model without unconserved sides chains): PDB file : Tito_4CGY.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4CGY-query.scw PDB file : Tito_Scwrl_4CGY.pdb: