Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MRQSLTLIPTLREVPADAEAKSHQLLLRAGFIRQ--NTSGVYSYMPLAYKVIQNIQQIVREEMEKIDAVEMLMPALQQAETWQ-ESGRWYTYGPELMRLKDR----HGREFALGATHEEVITSLVRDEVKSYKRLPLTLYQIQSKFRDEKRPRFGLLRGREFI-MKDAYSFHASAESLDETYQKMYEAYSNIFARCGINVRPVIADSGAMGGKDTHEFMALSAIGEDTIAYSDESQYAANIEMAEVLHQEVPSDEEPKALEKVHTPNVKTIEELTAFLQVSAEACIKSVLFKADDRFVLVLVRGDHEVNDIKVKNLLHAEVVELATHEEVIQQLGTEPGFVGPVGIHQDVEVYADQAVKAMVNAVAGANEGDHHYKNVNVNRDAQIKEFADLRFIKEGDPSPDGKGTIRFAEGIEVGQVFKLGTRYSEAMNATYLDENGRAQPMLMGCYGIGVSRTLSAIAEQHHDEKGLIWPKSVAPYDLHILALNMKN--DGQRELAEKLYADLKAEGYEVLYDDRAERAGVKFADSDLIGLPIRITVGKRA-DEGIVEVKIRQTGESTEISVDELSAFISKQ 1NJ1 Chain:A ((43-409)) --------------------WFHNILEEAEIIDQRYPVKGMHVWMPHGFMIRKNTLKILRRILD-RDHEEVLFPLLVPEDELAKEAIHVKGFEDEVYWVTHGGLSKLQRKLALRPTSETVMYPMFALWVRSHTDLPMRFYQVVNTFRYETKHTRPLIRVREITTFKEAHTIHATASEAEEQVERAVEIYKEFFNSLGIPYLITRRPP---------------------------------WDKFPG------------------------------------------------------------------------------------------------S----------------------------EY-TVA------------FDT-------LMP-------DGKTLQIGTVHNLGQTFARTFEIKFETPEGDHEYVHQTCYGLS-DRVIASVIAIHGDESGLCLPPDVAAHQVVIVPIIFKKAAEEVMEACRELRSRLEAAGFRVHLDDRDIRAGRKYYEWEMRGVPLRVEIGPRDLEKGAAVISRRDTGEKVTADLQGIEETLR--

General information: TITO was launched using: RESULT: Template: 1NJ1.pdb Alignment : align.pir Tito was launched with SMD and SCWRL Tito text output Monomeric PKB - chain A - contact count / total energy / energy per contact / energy per residue : 1839 -175705 -95.54 -493.55 target 2D structure prediction score : 0.56 Monomeric hydrophicity matching model chain A : 0.67 3D Compatibility (PKB) : -95.54 2D Compatibility (Sec. Struct. Predict.) : 0.56 1D Compatibility (Hydrophobicity) : 0.67 QMean score : 0.512

(partial model without unconserved sides chains): PDB file : Tito_1NJ1.pdb: (Unconserved sides chains are recalculated) : Sequence: align-1NJ1-query.scw PDB file : Tito_Scwrl_1NJ1.pdb: