Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MTAMLPEWTTACPDWEERIVAKKSLMPCEPLFPQVADVAERIFKELILVDVMGSPKMGDVTLDWVIEFVRAIFGSYNPNTKRRLIREFFLLISKKNTKSTIAAGVMLVALLLNDRLSAELIILAPTKEVADNSFNPIRDFIRADEELSAMINVSEHTKTVTHLGTGATLKVIAAESNAAAGKKASIILIDEVWLFGKRANAESMFREAKGGLASRPEGCVIYLSTMSDEVPCGVFKQLLDYARDVRDGIKEDKGFLPLIYEFPKRLVEAGEHLKPEHFYITNPNLGASVDLEYLISEFKKVKDAGEESLRDFLAKHLNIEIGMNLRANRWAGAEYWNKQKHVFGLDQLIEQSDVITIGIDGGGLDDLLGYAVLGRLKKDPRVWWLWNHAWANKIALERRKENIPKYDDFKLEGSLTVVDRVGDDIDQLAA-IAKKVYDSGKLN-KIGLDPLG-LGGLLDGLLEAGIPEESMFAVPQGYKLMSYILTTERKLAEGNLYHAGQQLMTWAAGNARVVMVGN-GMRITKQESGVGKIDPLIATFNAVALMSMNPEPTNKEYNVFFV 5M1K Chain:B ((33-190)) --------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------PDHIYCIGADFGKNQDYSVFSVLDLDT---GA-IACLE-R-----------------------------MNGATWSDQVARLKALSED--YGHAYVVADTWGVGDAIAEELDAQGIN-YTPLPVKSSSVKEQLISNLALLMEKGQVAVPNDKTILDELRNFRYYRTASGNQVMRAY-G-RGHDDIVMSLALAYSQYE---------------

General information: TITO was launched using: RESULT: Template: 5M1K.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 : 697 -24358 -34.95 -158.17 target 2D structure prediction score : 0.62 Monomeric hydrophicity matching model chain B : 0.54 3D Compatibility (PKB) : -34.95 2D Compatibility (Sec. Struct. Predict.) : 0.62 1D Compatibility (Hydrophobicity) : 0.54 QMean score : 0.274

(partial model without unconserved sides chains): PDB file : Tito_5M1K.pdb: (Unconserved sides chains are recalculated) : Sequence: align-5M1K-query.scw PDB file : Tito_Scwrl_5M1K.pdb: