Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MGIALENVNFIYQEGTPLASAALSDVSLTIEDGSYTALIGHTGSGKSTILQLLNGLLVPSQGSVRVFDTLITSTSKNKDIRQIRKQVGLVFQFAENQIFEE-TVLKDVAFGPQNFGVSEEDAVKTAREK------LALVGIDESLFDRSPFELSGGQMRRVAIAGILAMEPSILVLDEPTAGLDPLGRKELMT-LFKKLHQSGMTIVLVTHLMDDVAEYANQVYVMEKGRLVKGGKPSDVFQDVVFMEEVQLGVPKITAFCKRLADRGVSFKRLPIKIEEFKESLNG 3FVQ Chain:A ((20-233)) ----------------------LNDISLSLDPGEILFIIGASGCGKTTLLRCLAGFEQPDSGEISLSGKTIFSKNTNLPVRE--RRLGYLVQ--EGVLFPHLTVYRNIAYGLGN------GKGRTAQERQRIEAMLELTGISE-LAGRYPHELSGGQQQRAALARALAPDPELILLDEPFSALDEQLRRQIREDMIAALRANGKSAVFVSHDREEALQYADRIAVMKQGRILQTASPHELYR---------------------------------------------

General information: TITO was launched using: RESULT: Template: 3FVQ.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 : 958 -19685 -20.55 -97.93 target 2D structure prediction score : 0.57 Monomeric hydrophicity matching model chain A : 0.71 3D Compatibility (PKB) : -20.55 2D Compatibility (Sec. Struct. Predict.) : 0.57 1D Compatibility (Hydrophobicity) : 0.71 QMean score : 0.576

(partial model without unconserved sides chains): PDB file : Tito_3FVQ.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3FVQ-query.scw PDB file : Tito_Scwrl_3FVQ.pdb: