Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MAYDIISDIHGCYDEMTALIQKLGYTIKNGVPVHEEGRVLVFAGDLTDRGPKSIEVIRFVAGAYEKGAVRYVPGNHCNKLYRYLKGNPVKVMHGLETTAAELEELSKDEKKSVSEQFMKLYETAPLYDILHNGELVVAHAGIRADDIGKYTRRVKD---------------FVLYGDVTGETYP------------------------------------DGRPIRRDWAAAY---NGKAWVVYGHTPVKEP-RKVNRTINIDTGCVFGNQLTGFRFPEIETVSVPSSLPYDESRFRPI 2DFJ Chain:A ((2-268)) -ATYLIGDVHGCYDELIALLHKVEFT--------PGKDTLWLTGDLVARGPGSLDVLRYVKSLG--DSVRLVLGNHDLHLLAVFAGISR---NKPKDRLTPLLE------APDADELLNWLRRQPLLQIDEEKKLVMAHAGITPQWDLQTAKECARDVEAVLSSDSYPFFLDAMYGDMPNNWSPELRGLGRLRFITNAFTRMRFCFPNGQLDMYSKESPEEAPAPLKPWFAIPGPVAEEYSIAFGHWASLEGKGTPEGIYALDTGCCWGGSLTCLRWEDKQYFVQPS------------

General information: TITO was launched using: RESULT: Template: 2DFJ.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 : 1065 -136764 -128.42 -645.11 target 2D structure prediction score : 0.66 Monomeric hydrophicity matching model chain A : 0.70 3D Compatibility (PKB) : -128.42 2D Compatibility (Sec. Struct. Predict.) : 0.66 1D Compatibility (Hydrophobicity) : 0.70 QMean score : 0.434

(partial model without unconserved sides chains): PDB file : Tito_2DFJ.pdb: (Unconserved sides chains are recalculated) : Sequence: align-2DFJ-query.scw PDB file : Tito_Scwrl_2DFJ.pdb: