Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MPDDDLARRIRAAVDAGELHGVTAEPGDPEIAPLGSGESYTAWRIGSGDQARVLRVPRRPPHEMPRSMEAEFEVLRRVPPE-L-GTSAVALETGAD--SPLGAPYMVTTHVPGRALRAADWNPRLATSLAHQIARLHVAFAAGPAPSAASVPSASEQGEELLTWWGRYHPETLTD-PRVSA-LLPAWLRELTRLAPAFEAVPTHPLIHGDVVATNVILGPDGVPRLIDFEWSGPGDTAKDLALIGGRVTGGPWYLPMTPDDVAALVTEYSRYSRHAGAIDPQQLLARRDVYELLDRLGNLLYCLSRPGEARYGRWADDLACNLTDRLAD 2PPQ Chain:A ((23-282)) --------------------------SLTSYKGIAE---NSNFLLHTTKDPLILTLYEK-----KNDLPFFLGLMQHLAAKGLSCPLPLPRKDGELLGELSGRPAALISFLEGMWLRK--PEAKHCREVGKALAAMHLASEGFEIKRPN---------ALSVDGWKVLWDKSEERADEVEKGLREEIRPEIDYLAAHWPKDLPAGVIHADLFQDNVFFLGDELSGLIDFYFACNDLLAYDVSICLNAWCFEK-DGAYNVTKGKALLEGYQSVRPLSE-----AELEALPLLSRGSALRFFLTRLY------------------------

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 : 1113 -38839 -34.90 -156.61 target 2D structure prediction score : 0.62 Monomeric hydrophicity matching model chain A : 0.67 3D Compatibility (PKB) : -34.90 2D Compatibility (Sec. Struct. Predict.) : 0.62 1D Compatibility (Hydrophobicity) : 0.67 QMean score : 0.322

(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: