Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MTAKDEYFLETSSSKRIIVCLLDVFVSISTIRYLFFIARCENMFHNREVRKKLSNGGQKMKTVILAEKPSQAKAYAETFQQQ--KRHEG------YYEISDP-LFAG-EVTITYGFGHLVDMVAPGAYEERWAKWSLENLPIFPETFRYEVPMDKRAQF----SIVKRELQSADTIIIATDGDREGEAIAWSIIRQANAFSKEKNYLRLWINSLEKEAIYEGFKNLQPGKNYFPKYKEAQARQNADWLIGMNGSPLYSLLLQRKG----IDGSFSLGRVQTPTLYMIYQLQEEIKHFKKETYFEGEGLITTNKGQFSGKIVPKKAFKTQEELTKEIEKLGAHLGKQNGRILEVTKKEKRLHSPRLFSLSSLQTKMNQLMKASAKATLDAAQGLYESKFLSYPRTDSFYITENEHQYLVKHLQNYKK--FLGIEEVQT-TE-IKAKKRYVDAKKVQEHHAIIPTKTIPTPARFAKLSKLQQAIYLQVLRTTVAMFAADYIYEETTVMTGVQQLKLKSIGKIPLQQGWQEILRIKSKKKEAQTLPPIVENEEAEV-ELKSMEKETQPPKPYTEGTLITAMKTAGKTLDNDEAQEILKEVEGIGTEATRANIIENLKQKHYIEVN-KNEITVTPKGITLCKAVANE-PLLTSAEMTARWEGYLRKIGKQEGTPSVFLENIKKFILHLLAEVPNQIDKVD--FSDEISGT-RQIKAMEKKNDQLGRCPKCKKGIVMLYPKIATCLNPECDFKLWPTVAKKKLTKTNLRDLLSKGKTSKVVKGFTGKKGKFDAVLVLKEDMTIGFSFPWIENSGTKAVDGNKETSRKNNENEVE 4CGY Chain:A ((22-640)) -------------------------------------------FS-RAAME--MALRGVRKVLCVAEKNDAAKGIADLLSNGRMRRREGLSKFNKIYEFDYHLYGQNVTMVMTSVSGHLLAHDFQMQF----RKWQ-SCNPLV--LFEAEIEKYCPENFVDIKKTLERETRQCQALVIWTDCDREGENIGFEIIHVCKAVKPNLQVLRARFSEITPHAVRTACENLTEPDQ--RVSDAVDVRQELDLRIGAAFTRFQTLRLQRIFPEVLAEQLISYGSCQFPTLGFVVERFKAIQAFVPEIFHRIKVTHDHKDGIVEFNWKR-HRLFNHTACLVLYQLC--VED-PMATVVEVRSKPKSKWRPQALDTVELEKLASRKLRINAKETMRIAEKLYTQGYISYPRTETNIFPRDLNLTVL--VEQQTPDPRWGA-FAQSILERGGPTPRN-GNKSDQAHPPIHPTKYTN------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 : 3043 52438 17.23 88.73 target 2D structure prediction score : 0.58 Monomeric hydrophicity matching model chain A : 0.67 3D Compatibility (PKB) : 17.23 2D Compatibility (Sec. Struct. Predict.) : 0.58 1D Compatibility (Hydrophobicity) : 0.67 QMean score : 0.366

(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: