Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MTAMLPEWTTACPDWEERIVAKKSLMPCEPLFPQVADVAERIFKELILVDVM--GSPKMGDVTLDWVIEFVRAIFGSYNPNTKRRLIREFFLLISKKNTKSTIAAGVMLVALLLNDRLSAELIILAPTKEVADNSFNPIRDFIRADEE-LSAMINVSEHTKTVTHLGTGATLKVIAAESNAAAGKKASIILIDEVWLFGKRANA-ESMFREAKGGLASRPEGCVIYLSTMSDEVPCGVFKQLLDYARDVRDGIKEDKGFLPLIYEFPKRLVEAGEHLKPEHFYITNPNLGASVDLEYLISEFKKVKDAGEESLRDFLAKHLNIEIGMNLRANRWAGAEYWNKQKHVFGLDQLIEQSDVITIGIDGGGLDDLLGYAVLGRLKKDPRVWWLWNHAWANKIALERRKENIPKYDDFKLEGSLTVVDRVGDDIDQLAAIAKKVYDSGKLNKIGLDPLGLGGLLDGLLEAGIPEESMFAVPQGYKLMSYILTTERKLAEGNLYHAGQQLMTWAAGNARVVMVGNGMRITKQESGVGKIDPLIATFNAVALMSMNPEPTNKEYNVFFV 2O0J Chain:A ((138-327)) -----------------------------------CRDDIVYFAETYCAITHIDY-GVIKVQLRDYQRDMLKIMSS----------KRMTVCNLSRQLGKTTVVAIFLAHFVCFN--KDKAVGILAHKGSMSAEVLDRTKQAIELLPDFLQPGIV-EWNKGSIE-LDNGSSIGAYASSPDAVRGNSFAMIYIEDCAF----IPNFHDSWLAIQPVISSGRRSKIIITTTPNGL---NHFYDIWTAAV---------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 2O0J.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 : 901 -35247 -39.12 -189.50 target 2D structure prediction score : 0.66 Monomeric hydrophicity matching model chain A : 0.56 3D Compatibility (PKB) : -39.12 2D Compatibility (Sec. Struct. Predict.) : 0.66 1D Compatibility (Hydrophobicity) : 0.56 QMean score : 0.438

(partial model without unconserved sides chains): PDB file : Tito_2O0J.pdb: (Unconserved sides chains are recalculated) : Sequence: align-2O0J-query.scw PDB file : Tito_Scwrl_2O0J.pdb: