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 2VB9 Chain:A ((1-404)) -----MKRAVITGLGIVSSIGNNQQEVLASLREGRSGITFSQELKDSGMR--SHVWGN--VKLDTTGLIDRKVVRFMSDASIYAFLSMEQAIADAGLSPEAYQNNPRVGLIAGSGGGSPR--FQVFGADAMRGPRGLKAVGPYVVTKAMASGVSACLATPFKIHGVNYSISSACATSAHCIGNAVEQIQLGKQDIVFAGGGEELCWEMACE-FDAMGALST-KYNDTPEKASRTYDAHRDGFVIAGGGGMVVVEELEHALARGAHIYAEIVGYGATSDGADMVAPSGEGAVRCMKMAMHG---VDTPIDYLNSHGTSTPVGDVKELAAIREVFGDKSPAISATKAMTGHSLGAAGVQEAIYSLLMLEHGFIAPSINIEE-LDEQAAGLNIVTETTDRELTTVMSNSFGFGGTNATLVMRKL-------

General information: TITO was launched using: RESULT: Template: 2VB9.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 : 2752 -209617 -76.17 -536.10 target 2D structure prediction score : 0.65 Monomeric hydrophicity matching model chain A : 0.79 3D Compatibility (PKB) : -76.17 2D Compatibility (Sec. Struct. Predict.) : 0.65 1D Compatibility (Hydrophobicity) : 0.79 QMean score : 0.442

(partial model without unconserved sides chains): PDB file : Tito_2VB9.pdb: (Unconserved sides chains are recalculated) : Sequence: align-2VB9-query.scw PDB file : Tito_Scwrl_2VB9.pdb: