Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MGVTKTPLYETLNESSAVALAVKLGLFPSKSTLTCQEIGDGNLNYVFHIYDQEHDRALIIKQAVPYAKVVGESWPLTIDRARIESSALIRQGEHVPHLVPRVFYSDTE-----MAVTVMEDLSHLKIARKGLIE---GENYPHLSQHIGEFLGKTLFYSSDYALEPKVKKQLVKQFTNPELCDITERLVFTDPFFDHDTNDFEEELRPFVEKLWNNDSVKIEAAKLKKS--FLTSAETLIHGDLHTGSIFASE--HE-TKVIDPEFAFYGPIGFDVGQFIANLFLNALSRDGADREPLYEHVNQVWETFEETFSEAWQKDSLDVYANIDGYLTDTLSHIFEEAIGFAGCELIRRTIGLAHVADLDTIVPFDKRIGRKRLALETGTAFIEKRSEFKTITDVIELFKLLVKE 3SG8 Chain:A ((4-257)) -----------YTFDQVEKAIEQ--LYPDFTINTIEISGEGNDCIAYEIN-----RDFIFKFPKH---------SRGSTNLFNEVNILKRIHNKLPLPIPEVVFTGMPSETYQMSFAGFTKIKG-VPLTPLLLNNLPKQSQNQAAKDLARFLSELHSINISGFKSNL-----VLDF-REKINEDNKK--IK-KLLS---RELKGPQ---MK------KVDDFYRDILENEIYFKYYPCLIHNDFSSDHILFDTEKNTICGIIDFGDAAISDPDNDFISLMEDDE----EY-----------GMEFVSKILNHYKHKDI--------------------------------------------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 3SG8.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 : 1032 -119027 -115.34 -493.89 target 2D structure prediction score : 0.54 Monomeric hydrophicity matching model chain A : 0.60 3D Compatibility (PKB) : -115.34 2D Compatibility (Sec. Struct. Predict.) : 0.54 1D Compatibility (Hydrophobicity) : 0.60 QMean score : 0.392

(partial model without unconserved sides chains): PDB file : Tito_3SG8.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3SG8-query.scw PDB file : Tito_Scwrl_3SG8.pdb: