Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MVAQIRIGQGMDVHAFEEGKFVTLAGVQIPHTHGLKAHSDGDVVLHALCDALLGALALGDIGQHFPDTDPEFKGADSRVLLKHVYQLILDRGYHLNNADITVACERPKLAKYNLEMRQSIADVLNVDLNQISIKATTTEKLGFTGRQEGILATATVLISH 3IEQ Chain:B ((24-177)) ----FRIGQGYDVHQLVPGRPLIIGGVTIPYERGLL---DADVLLHAITDALFGAAALGDIGRHFSDTDPRF--ADSRALLRECASRVAQAGFAIRNVDSTIIAQAPKLAPHIDAMRANIAADLDLPLDRVNVKAKTNEKLGYLGRGEGIEAQAAALV--

General information: TITO was launched using: RESULT: Template: 3IEQ.pdb Alignment : align.pir Tito was launched with SMD and SCWRL Tito text output Monomeric PKB - chain B - contact count / total energy / energy per contact / energy per residue : 821 -116620 -142.05 -782.68 target 2D structure prediction score : 0.74 Monomeric hydrophicity matching model chain B : 0.82 3D Compatibility (PKB) : -142.05 2D Compatibility (Sec. Struct. Predict.) : 0.74 1D Compatibility (Hydrophobicity) : 0.82 QMean score : 0.539

(partial model without unconserved sides chains): PDB file : Tito_3IEQ.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3IEQ-query.scw PDB file : Tito_Scwrl_3IEQ.pdb: