Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MIESQAPMLEMLWEPHDPRHALAERFGFSDSESASRWVAAMLDEHWGIR-IDSCERILMSGG-NALAWVGTPSGRLLAKWSVVLDC---FPRLMETARLTNWLHGRGLPVSVPVPTRDGCLQVEVDRVSMGLQREIVGDLLDT--GDLNQVRAAGVILAQLQDALAAYPDADQF--L--APVVS---SKPLTVRVT----DWLDSRA---DHLPMAARDTLRGLVASAPPDRLPRQLVHFDIRSANILWAC--GGVAAILDFEEAQHDHRIVELARAAVLLGTRYHNW------GPVSADVRTEFLTGYQS--ERLLTPAEAGWLHIVLLWQALAMVPPGDDPTGWGPSALSQLSQETAR 4WH3 Chain:A ((9-299)) ---------------------------------------FGIASHFALEGAVTGIEPYGDGHINTTYLVTTDGPRYILQQMNTSIFPDTVNLMRNVELVTSTLKAQGKETLDIVPTTSGATWAEIDGGAWRVYKFIEHTVSYNLVPNPDVFREAGSAFGDFQNFLSEFDASQLTETIAHFHDTPHRFEDFK-AALAADKLGRAAACQPEIDFYLS-HADQYAVVMDGLRDGSIPLRVTHNDTKLNNILMDATTGKARAIIDLDTIMPGSMLFDFGDSIRFGASTALEDEKDLSKVHFSTELFRAYTEGFVGELRGSITAREAELLPFSGNLL----------------------------

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 : 1074 -28724 -26.74 -110.48 target 2D structure prediction score : 0.50 Monomeric hydrophicity matching model chain A : 0.64 3D Compatibility (PKB) : -26.74 2D Compatibility (Sec. Struct. Predict.) : 0.50 1D Compatibility (Hydrophobicity) : 0.64 QMean score : 0.281

(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: