Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MKKLKLNKIINENTQDCFFHADPQGRVYIGKGLKGGITITIYDPS-GDV-RDFRVKEQISYSDILLFQQCADGYVFVYYESYEPKVKVFSEEGRVKSVFHLPSGVSCCLLD 3NO2 Chain:A ((3-74)) ----------------------SPQHLLVGGSGWNK--IAIINKDTKEIVWEYPLEKGWECNSVAA---TKAGEILFSYS---KGAKMITRDGRELWNIAAP---------

General information: TITO was launched using: RESULT: Template: 3NO2.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 : 253 -13054 -51.60 -186.49 target 2D structure prediction score : 0.69 Monomeric hydrophicity matching model chain A : 0.65 3D Compatibility (PKB) : -51.60 2D Compatibility (Sec. Struct. Predict.) : 0.69 1D Compatibility (Hydrophobicity) : 0.65 QMean score : 0.565

(partial model without unconserved sides chains): PDB file : Tito_3NO2.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3NO2-query.scw PDB file : Tito_Scwrl_3NO2.pdb: