Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MGMPVEFNTLIVTKGKEVRIDENIFTLEKDGYRVYPMEIPMDVRKTKFGEKSGTAEVQKLQWEEGRTIITYKLTSLHSVN 2NWA Chain:G ((4-80)) ---PVEFNTLIVTKGKEVRIDENIFTLEKDGYRVYPMEIPMDVRKTKF-EKSGTAEVQKLQWEEGRTIITYKLTSLHSVN

General information: TITO was launched using: RESULT: Template: 2NWA.pdb Alignment : align.pir Tito was launched with SMD and SCWRL Tito text output Monomeric PKB - chain G - contact count / total energy / energy per contact / energy per residue : 305 -14445 -47.36 -190.07 target 2D structure prediction score : 0.61 Monomeric hydrophicity matching model chain G : 0.96 3D Compatibility (PKB) : -47.36 2D Compatibility (Sec. Struct. Predict.) : 0.61 1D Compatibility (Hydrophobicity) : 0.96 QMean score : 0.544

(partial model without unconserved sides chains): PDB file : Tito_2NWA.pdb: (Unconserved sides chains are recalculated) : Sequence: align-2NWA-query.scw PDB file : Tito_Scwrl_2NWA.pdb: