Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MMQEETFYSVRMRASMNGSHEDGGKHISGGERLIPFHEMKHTVNALLEKGLSHSRGKPDFMQIQFEEVHESIKTIQPLPVHTNEVSCPEEGQKLARLLLEKEGVSRDVIEKAYEQIPEWSDVRGAVLFDIHTGKRMDQTKEKGVRVSRMDWPDANFEKWALHSHVPAHSRIKEALALASKVSRHPAVVAELCWSDDPDYITGYVAGKKMGYQRITAMKEYGTEEGCRVFFIDGSNDVNTYIHDLEKQPILIEWEEDHDS 3PYW Chain:A ((3-180)) ----KTFPDVPAD-----------------------HWGIDSINYLVEKGAVKGNDKGMFEP-------------------GKELTRAEAATMMAQILNLPIDKDAK---------PSFADSQGQ-----WYTPFIAAVEKAGVIKG----TGNGFEPNGKIDRVSMASLLVEAYKLDTKVN------------GTPATKFKDLETLNWGKEKANILVELGISVG-----TGDQWEPKKTVTKAEAAQFIAKTDKQFGT

General information: TITO was launched using: RESULT: Template: 3PYW.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 : 883 -16652 -18.86 -93.55 target 2D structure prediction score : 0.53 Monomeric hydrophicity matching model chain A : 0.62 3D Compatibility (PKB) : -18.86 2D Compatibility (Sec. Struct. Predict.) : 0.53 1D Compatibility (Hydrophobicity) : 0.62 QMean score : 0.192

(partial model without unconserved sides chains): PDB file : Tito_3PYW.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3PYW-query.scw PDB file : Tito_Scwrl_3PYW.pdb: