Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MVAQIRIGQGMDVHAFEEGKFVTLAGVQIPHTHGLKAHSDGDVVLHALCDALLGALALGDIGQHFPDTDPEFKGADSRVLLKHVYQLILDRGYHLNNADITVACERPKLAKYNLEMRQSIADVLNVDLNQISIKATTTEKLGFTGRQEGILATATVLISH 5IWY Chain:E ((2-156)) ----FRIGQGFDVHQLVEGRPLIIGGIEIPYEKGLLGHSDADVLLHTVADACLGAVGEGDIGKHFP--------ADSFKLLQHVWGIVKQKGYVLGNIDCTIIAQKPKMLPYIEDMRKRIAEGLEADVSQVNVKATTTEKLGFTGRAEGIAAQATVLIQ-

General information: TITO was launched using: RESULT: Template: 5IWY.pdb Alignment : align.pir Tito was launched with SMD and SCWRL Tito text output Monomeric PKB - chain E - contact count / total energy / energy per contact / energy per residue : 838 -124191 -148.20 -844.83 target 2D structure prediction score : 0.72 Monomeric hydrophicity matching model chain E : 0.84 3D Compatibility (PKB) : -148.20 2D Compatibility (Sec. Struct. Predict.) : 0.72 1D Compatibility (Hydrophobicity) : 0.84 QMean score : 0.610

(partial model without unconserved sides chains): PDB file : Tito_5IWY.pdb: (Unconserved sides chains are recalculated) : Sequence: align-5IWY-query.scw PDB file : Tito_Scwrl_5IWY.pdb: