Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MSADTQHFTGTDQYIATDSLKLAVKAARALQKPLLVKGEPGTGKTLLAEQVAESLGLKLITWHIKSTTKAQQGLYEYDAVSRLRDSQLGDDRVYDIKNYIKPGKLWEAFTSEERCVLLIDEID-----------KADIEFPNDLLHELDKMSFYVYETGETITATQRPIVIITSNNEKELPDAFLRRCFFHY---IEFPDEATMREIISVHFPNISVTLVNEALQVFFKLREIPNLKKPPSTSELIDWLSLLMADDMPEDVLRNRDTSKAIPPLYGALIKNEQDVQLLERLAFMSRR 4CR3 Chain:L ((216-371)) -------------------------------KGVLLYGPPGTGKTLLAKAVAATIGANFI----------------FSPASGIVDKYIGES-----ARIIR--EMFAYAKEHEPCIIFMDEVDAIGGRRFSEGTSADREIQRTLMELLTQMDGF-----DNLGQTK---IIMATNRPDTLDPALLRPGRLDRKVEIPLPNEAGRLEIFKIHTAKVKKT-------------------------------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 4CR3.pdb Alignment : align.pir Tito was launched with SMD and SCWRL Tito text output Monomeric PKB - chain L - contact count / total energy / energy per contact / energy per residue : 532 -34584 -65.01 -243.55 target 2D structure prediction score : 0.58 Monomeric hydrophicity matching model chain L : 0.66 3D Compatibility (PKB) : -65.01 2D Compatibility (Sec. Struct. Predict.) : 0.58 1D Compatibility (Hydrophobicity) : 0.66 QMean score : 0.449

(partial model without unconserved sides chains): PDB file : Tito_4CR3.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4CR3-query.scw PDB file : Tito_Scwrl_4CR3.pdb: