Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MHKKIYLSPPHMSGREQHYISEAFRSNWIAPLGPLVNSFEEQLAERVGVKAAAAVGSGTAAIHLALRLLEVKEGDSVFCQSFTFVATANPILYEKAVPVFIDSEPDTWNMSPTALERALEEAKRNGTLPKAVIAVNLYGQSAKMDEIVSLCDAYGVPVIEDAAESLGTVYKGKQSGTFGRFGIFSFNGNKIITTSG-GGMLVSNDEAAIEKARFLASQAREPAVHYQHSEIGHNYRLSNILAGVGIAQLEVLDERVEKRRTIFTRYKNALGHLD-GVRFMPEYAAGVSNRWLTTLTLDNGLSPYDIVQRLAEENIEARPLWKPLHTQPLFDPALFYSHEDTGSVCEDLFKRGICLPSGSNMTEDEQGRVIEVLLHLFHTVEVKKWTASIR 3NU7 Chain:B ((33-290)) -------------------------------LGPEVTELEDRLADFVGAKYCISCANGTDALQIVQMALGVGPGDEVITPGFTYVATAETVALLGAKPVYVDIDPRTYNLDPQLLEAAITPRT------KAIIPVSLYGQCADFDAINAIASKYGIPVIEDAAQSFGASYKGKRSCNLSTVACTSFFPSKPLGCYGDGGAIFTNDDELATAIRQIARHGQD--RRYHHIRVGVNSRLDTLQAAILLPKLEIFEEEIALRQKVAAEYDLSLKQVGIGTPFIEVNNISVYAQY--TVRMDN-------------------------------------------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 3NU7.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 : 1508 -122083 -80.96 -476.88 target 2D structure prediction score : 0.65 Monomeric hydrophicity matching model chain B : 0.71 3D Compatibility (PKB) : -80.96 2D Compatibility (Sec. Struct. Predict.) : 0.65 1D Compatibility (Hydrophobicity) : 0.71 QMean score : 0.502

(partial model without unconserved sides chains): PDB file : Tito_3NU7.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3NU7-query.scw PDB file : Tito_Scwrl_3NU7.pdb: