Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MVKYQYEFPLDKAGKAGAVKPYRGGKNDFVTPVSNLSGVAEILTNAALK-ATEAYSQLGQDRLGAVLISKVKGWAYADREGTLF---IEESDNNNVWTTTAAVNVAAGVLTATDWVYLSKRYYRFRYVNGNLQQSEFVLYQSVGAGEMDVRVNEKTPLQIDFAENQTHDGRLKVEARKTFDFVFHENAESASEGAALPVDGAAHLLVEVYGTAEMSEVKFWGKSVSG-QKLPIRGVKTDDATTASSTLGKAEAWAFDIKGFKEIIMEIISITGGTLSVKGTAVS 3DU1 Chain:X ((0-236)) -----------HMNVGEILRHYAAGKRNFQHI--NLQEIE--LTNASLTGADLSYADLRQTRLGKSNFSHTCLREADLSEAILWGIDLSEADLYRAILREADLTGA-------------------KLVKTRLEEANLIKASLCGANLNSANLSRCLLFQADLRPSSNQRTDLGYVLLTGADLSYADLRAASLHHANL--DGAK------LCRANFGRTIQWGNLAADLSGASLQGADLSYANLESAILRKANLQGADLTG---AILKDAELKGAIMPDGSIH--

General information: TITO was launched using: RESULT: Template: 3DU1.pdb Alignment : align.pir Tito was launched with SMD and SCWRL Tito text output Monomeric PKB - chain X - contact count / total energy / energy per contact / energy per residue : 1552 -107335 -69.16 -462.65 target 2D structure prediction score : 0.43 Monomeric hydrophicity matching model chain X : 0.66 3D Compatibility (PKB) : -69.16 2D Compatibility (Sec. Struct. Predict.) : 0.43 1D Compatibility (Hydrophobicity) : 0.66 QMean score : 0.101

(partial model without unconserved sides chains): PDB file : Tito_3DU1.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3DU1-query.scw PDB file : Tito_Scwrl_3DU1.pdb: