Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MFDNPDRSQNWSKTGKIADSSDLLPRFPELQRQPCQITSLGSAGGLSGGAIWRIECDRRLYALRRWPAETT---SARLRYVHSLQRLWRESNLKFIPELYTTAEGESFTENALGFWELAEWMPGAALEGDTISPQQRDAVAAAIAAIHQAA-AQHESSLEPSPGLRQRLTMLQRWRTMDRTMLQDAIQRLGWPEFAAIAQQMLQSFAYAANTIGDELQAIVSTPLPLHACLRDIHREHIFLTG--ALVSGVLDFGAVRIESRAGDLARLCGSLFED-----------D-R-NRWDDFLARYER--LRPLSAAERRAIAVFDRSAVLLTGLQWIEWIALERRQFPDPAAVLSRLDISLRRLQFLLK 4WH3 Chain:A ((4-302)) ---------------SNEVLFGIASHFALEG-A--VTGIEPYGDGHIN-TTYLVTTDGPRYILQQMNTSIFPDTVNLMRNVELVTSTLKAQGKE-TLDIVPTTSGATWAEIDGGAWRVYKFIEHTVSYNLVPNPDVFREAGSAFGDFQNFLSEFDASQ-LT--ETIA---HFHDTPHRFEDFKAA-LAADKL-GRAAACQPEIDFYLSHADQYAVVMDGLRDGSIPLRVTHNDTKLNNILMDATTGKARAIIDLDTIMPGSMLFDFGDSIRFGASTALEDEKDLSKVHFSTELFRAYTEGFVGELRGSITAREAELLPFSGNLLTME--------------------------------------

General information: TITO was launched using: RESULT: Template: 4WH3.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 : 1212 -36639 -30.23 -131.79 target 2D structure prediction score : 0.49 Monomeric hydrophicity matching model chain A : 0.63 3D Compatibility (PKB) : -30.23 2D Compatibility (Sec. Struct. Predict.) : 0.49 1D Compatibility (Hydrophobicity) : 0.63 QMean score : 0.289

(partial model without unconserved sides chains): PDB file : Tito_4WH3.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4wh3-query.scw PDB file : Tito_Scwrl_4WH3.pdb: