Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MTKCNLPEVVVTGVGVTASIGQGKEDFASSLLSGRHAFDV---MKRSGRQKDSRFIGAEIASLSYPDRLSKKMLRKASFSSRAALVTLTEAWEEAELDD---ADSSRIGLVVGGSNFQQRENFEVY--ERYQDRSGF--ISPAYGLSFMDSDLCGICTDQFGITGLAYTVGGASASGQLAVIHAIQQVLSGEVDTCIALGALMDLSYMECEALRALGAMGTDKYADEPENACRPFDQNRDGFIYGESCGALVIERKETALRRGLKPYAALSGWSIKLDGNRNPDPSLEGEIHVIQKALERARLLPEDIDYINPHGTGSFIGDEIELKALRACRLSHA-YINATKSITGHGLSAAGIVEIISVLLQMKKSALHPSRNLDHPIDDSFHWVN--EKSISYRIKNALSLSMGFGGMNTAVCIQNIEKCGGES 2BUI Chain:A ((1-405)) -----MKRAVITGLGIVSSIGNNQQEVLASLREGRSGITFSQELKDSGMR--SHVWGN--VKLDTTGLIDRKVVRFMSDASIYAFLSMEQAIADAGLSPEAYQNNPRVGLIAGSGGGSPR--FQVFGADAMRGPRGLKAVGPYVVTKAMASGVSACLATPFKIHGVNYSISSACATSAHCIGNAVEQIQLGKQDIVFAGGGEELCWEMACE-FDAMGALST-KYNDTPEKASRTYDAHRDGFVIAGGGGMVVVEELEHALARGAHIYAEIVGYGATSDGADMVAPSGEGAVRCMKMAMHG---VDTPIDYLNSHGTSTPVGDVKELAAIREVFGDKSPAISATKAMTGHSLGAAGVQEAIYSLLMLEHGFIAPSINIEE-LDEQAAGLNIVTETTDRELTTVMSNSFGFGGTNATLVMRKLK------

General information: TITO was launched using: RESULT: Template: 2BUI.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 : 2722 -209380 -76.92 -534.13 target 2D structure prediction score : 0.68 Monomeric hydrophicity matching model chain A : 0.79 3D Compatibility (PKB) : -76.92 2D Compatibility (Sec. Struct. Predict.) : 0.68 1D Compatibility (Hydrophobicity) : 0.79 QMean score : 0.443

(partial model without unconserved sides chains): PDB file : Tito_2BUI.pdb: (Unconserved sides chains are recalculated) : Sequence: align-2BUI-query.scw PDB file : Tito_Scwrl_2BUI.pdb: