Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MVAQIRIGQGMDVHAFEEGKFVTLAGVQIPHTHGLKAHSDGDVVLHALCDALLGALALGDIGQHFPDTDPEFKGADSRVLLKHVYQLILDRGYHLNNADITVACERPKLAKYNLEMRQSIADVLNVDLNQISIKATTTEKLGFTGRQEGILATATVLISH 3K14 Chain:B ((24-177)) ----FRIGQGYDVHQLVPGRPLIIGGVTIPYERGLL---DADVLLHAITDALFGAAALGDIGRHFSDT------ADSRALLRECASRVAQAGFAIRNVDSTIIAQAPKLAPHIDAMRANIAADLDLPLDRVNVKAKTNEKLGYLGRGEGIEAQAAALV--

General information: TITO was launched using: RESULT: Template: 3K14.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 : 803 -117763 -146.65 -812.16 target 2D structure prediction score : 0.74 Monomeric hydrophicity matching model chain B : 0.81 3D Compatibility (PKB) : -146.65 2D Compatibility (Sec. Struct. Predict.) : 0.74 1D Compatibility (Hydrophobicity) : 0.81 QMean score : 0.571

(partial model without unconserved sides chains): PDB file : Tito_3K14.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3K14-query.scw PDB file : Tito_Scwrl_3K14.pdb: