Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MLRHVFLFLSQNKTLTKFAKAYGTRLGARRFVAGDTIESAVKTVKRLNRSGLCATIDYLGEYAASEKEANQVAEECKKAIQAIAEHQLDSE-LSLKLTSIGLDLSEE--------------LA------------LTHLRAILSVAKQYDVAVTIDMEDYSHYEQTLSIYRQCKQEF---EKLGTVIQAYLYRAAEDIK------KMRDLKPNLRLVKGAYKESAAV----------AFPDKRGTDLHFQSLIKLQLLSGN---YTAVATHDDDIIKFTKQLVAEHRIPASQFEFQMLYGIRPERQKELAKEGYRMRVYVPYGT--DWFSYFMRRIAERPANAAFVLKGILKK 4NMD Chain:A ((117-440)) ---------------------------ARQFIVGETTKEAVKNLEKLRKDGFAAVVDVLGEATLSEEEAEVYTNTYLELLEALKKEQGSWKGLPGKGGDPGLDWGHAPKVNIAVKPTALFCLANPQDFEGSVVAILDRMRRIFKKVMELNGFLCIDMESYRHKEIILEVFRRLKLEYRDYPHLGIVLQAYLKDNDKDLDDLLAWAKEHKVQISVRLVKGAYWDYETVKAKQNDWEVPVWTIKAESDAAYERQAR-KILENHQICHFACASHNIRTISAVMEMARELNVPEDRYEFQVLYGMAEPVRKGILKVAGRIRLYAPYGNMVPGMGYLVRRLLENTANESFL-------

General information: TITO was launched using: RESULT: Template: 4NMD.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 : 1220 -129886 -106.46 -486.46 target 2D structure prediction score : 0.64 Monomeric hydrophicity matching model chain A : 0.72 3D Compatibility (PKB) : -106.46 2D Compatibility (Sec. Struct. Predict.) : 0.64 1D Compatibility (Hydrophobicity) : 0.72 QMean score : 0.474

(partial model without unconserved sides chains): PDB file : Tito_4NMD.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4NMD-query.scw PDB file : Tito_Scwrl_4NMD.pdb: