Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MRFKDMKRGNLMKKISNEIQILAETLTLPKVVIEQMIVQAKNILDEVFEQYSHELMDPNKAKATAKKIDKVYEEEPFAALAIYLYAASQSWKKIYQPLKIPRTIYLATMNAFTRFIHEHFQVTGSYRFDRGFWIWHYTSGLIFRIGELEYEMTYFPKGYTDLRLEGKQCLSLHIPSDADLSQNKIRDSYESAIRFFELYFPDYHYQVMYTDTWLLSPNLTKWLKKESKICLFAADYRLLSVDEQDDSGVPWIFGRVDAQIHDYPESTSLQRQAKEQLLAGEHIGSGLGILTS 3EJ9 Chain:B ((1-31)) -----------------------------------------------------------------------------------------------------------------------------------------------------------------------PFIECHIATG--LSVARKQQLIRDVIDVTNKSI--------------------------------------------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 3EJ9.pdb Alignment : align.pir Tito was launched with SMD and SCWRL Tito text output Monomeric PKB - chain B - contact count / total energy / energy per contact / energy per residue : 26 -4934 -189.75 -159.15 target 2D structure prediction score : 0.84 Monomeric hydrophicity matching model chain B : 0.51 3D Compatibility (PKB) : -189.75 2D Compatibility (Sec. Struct. Predict.) : 0.84 1D Compatibility (Hydrophobicity) : 0.51 QMean score : 0.750

(partial model without unconserved sides chains): PDB file : Tito_3EJ9.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3EJ9-query.scw PDB file : Tito_Scwrl_3EJ9.pdb: