Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence ---MISNTPSFPASWNIEAAKRIADTPAGIVYELTRKDGSLAIAKVLKKKVLKDSLRG-ADFIAWRAGIGCVELLDQSDNILLMEHAGTETLRDVLFRDG-N----DDATTEIAAEVLLR-YHQPSEQSPPSSLLTLPLYFESLFRKAEQDRS---DGVDSPFVEAARLAQTLIDQQRDIKPLHGDLHHENIMHSDRGWIIID--PAGLIGDAALDVANMFSNPLDRFDLTRSEARIASMAAIFS--RALQRDERLLLQYAFAYGCLSATWHEEDGNAEERDNELAVAATIKAVLKHF--------------- 2PPQ Chain:A ((5-320)) TDITEDELRNFLTQYDVGSLTSYKGIAENSNFLLHTTKDPLILTLYEKKNDLPFFLGLMQHLAA--KGLSCPLPLPRKDGELLGELSG-RPAALISFLEGMWLRKPEAKHCREVGKALAAMHLASEGFEIKRPNALSVDGWKVLWDKSEERADEVEKGLREEIRPEIDYLAAHWPKDLPAGVIHADLFQDNVFFLGDELSGLIDFYFACNDLLAYDVSICLNAWCFEKDGAYNVTKGKALLEGYQSVRPLSEAELEALPLLSRGSALRFFLTRLYDWLTTPAGALVVKKDPLEYLRKLRFHRTIANVAEYGLA

General information: TITO was launched using: RESULT: Template: 2PPQ.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 : 1304 25002 19.17 89.93 target 2D structure prediction score : 0.55 Monomeric hydrophicity matching model chain A : 0.63 3D Compatibility (PKB) : 19.17 2D Compatibility (Sec. Struct. Predict.) : 0.55 1D Compatibility (Hydrophobicity) : 0.63 QMean score : 0.262

(partial model without unconserved sides chains): PDB file : Tito_2PPQ.pdb: (Unconserved sides chains are recalculated) : Sequence: align-2ppq-query.scw PDB file : Tito_Scwrl_2PPQ.pdb: