Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MTPGDRMMASALGSWTRLAPFAGLDPAAFEAEELWRREDPGQVRIVLRMRGGAGQDLVFKRVFQPQDRGRWAEALDGQRRAVRALMRDPVHVPPAILAEDA--------ETLSTVQDFVPGRTLQDHMLLRFDKPGARAQVLQRAGRFLAAFHGATAEGDKPFNPATMLDYIRALGRRALSGDLTLADPDLFAVLAEGLEAAAQTAAGQPVRVAAQHGDLHARNLIVSG-KRATLIDFAQDRSAPVQYDMARLIVDLGARFSGDAAPEATCGLPAADLAALSDGYGRDLSQDACLAFLCRCRVLQDWAALPAVASQRSAFQQERLLQLQKTATRLAAA 2PPQ Chain:A ((6-259)) --------DITEDELRNFLTQYDVG-SLTSYKGI----AE---NSNFLLHTTK-DPLILT-LYEK--KNDLPFFLGLMQHLA-----AKGLSCPLPLPRKDGELLGELSGRPAALISFLEGMWLRKP----------EAKHCREVGKALAAMHLASEGFEIKRPNALSVDGWKVLWDKSEERADEV--EKGLREEIRPEIDYLAAHWPKDLPAGVIHADLFQDNVFFLGDELSGLIDFYFACNDLLAYDVSICLNAWCFEKDGA--------YNVTKGKALLEGYQSVRPLSE---------------------------------------------

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 : 1008 -39516 -39.20 -165.34 target 2D structure prediction score : 0.52 Monomeric hydrophicity matching model chain A : 0.64 3D Compatibility (PKB) : -39.20 2D Compatibility (Sec. Struct. Predict.) : 0.52 1D Compatibility (Hydrophobicity) : 0.64 QMean score : 0.241

(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: