Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MPSPKLKLNLYQKLLGLD-HAQFSLIQHEDAIVAIVYEVIEPSGKKLILKICEQE-RHFLREVYFLEALKD-KIPVPQILQAIEPN----SKRHGAILMEYLPGQVLNKETLTCELAEKAGYQLARLHLNSEKGYGDLISKDSLTQDPKADLIQRFEEGLDECEAHLPSSLLNECRHYFHTHLYLLELADGPCIIHRDFRPGNLLANKNKLLGIIDWASARAGFAQEDFSSLEMGEWS-----TQASIQAAFLSGYETIRPIPRYQ-ELMPLLKLSRSAAILGYLYRKGIYHKSSAKLHQSHLNFLKTFIEA 2PPQ Chain:A ((17-280)) ------------TQYDVGSLT--SYKGIAE---NSNFLLHTT-KDPLILTLYEK-KNDLPFFLGLMQHLAAKGLSCPLPLPRKDGELLGELSGRPAALISFLEGMWLRK--PEAKHCREVGKALAAMHLASEGFEIKR-PNALSVDGWKVLWDKSEE-RADE----VEKGLREEIRPEIDYLAAHWPKDLPAGVIHADLFQDNVFFLGDELSGLIDFYFACNDLLAYDVSICLNAWCFEKDGAYNVTKGKALLEGYQSVRPLSEAELEALPLLSRGSALRFFLTR---------------------------

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 : 1057 -11553 -10.93 -47.15 target 2D structure prediction score : 0.49 Monomeric hydrophicity matching model chain A : 0.66 3D Compatibility (PKB) : -10.93 2D Compatibility (Sec. Struct. Predict.) : 0.49 1D Compatibility (Hydrophobicity) : 0.66 QMean score : 0.306

(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: