Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MNYKKKSRNFSKNRGRSMNRILVVEDDPQLQLLYRSVLERAGFSVITALNGEDALKKLEATRIELIITDIMMPKMDGYDLLDSLRSTRFDTPVLMITAKADFEDKKRGFKLGADDYMTKPIDVNEMILRVEALLRRSKINYSSSLIIGQTKLELDAYTVLQDQHSLILPQKEFLLLYKLLSYPNKIFTRQQLMDDIWGLDTNTEERTIDVHIKRLRTRFEKTEDFQIITVRGLGYKAVI 1NXX Chain:A ((2-119)) ------------------KKILIVDDEKPISDIIKFNMTKEGYEVVTAFNGREALEQFEAEQPDIIILDL----IDGLEVAKTIRKTS-SVPILMLSAKDSEFDKVIGLELGADDYVTKPFSNRELQARVKALLRRS------------------------------------------------------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 1NXX.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 : 556 -78415 -141.03 -687.85 target 2D structure prediction score : 0.71 Monomeric hydrophicity matching model chain A : 0.67 3D Compatibility (PKB) : -141.03 2D Compatibility (Sec. Struct. Predict.) : 0.71 1D Compatibility (Hydrophobicity) : 0.67 QMean score : 0.747

(partial model without unconserved sides chains): PDB file : Tito_1NXX.pdb: (Unconserved sides chains are recalculated) : Sequence: align-1NXX-query.scw PDB file : Tito_Scwrl_1NXX.pdb: