Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MKAVQVRKAYDLVTAEVKKPVLSKDDEVLVKVKRVGICGSDMHIYHG---TNPLATLPRVIGHEVTGQVEAVGANVQSLKPGDHVVIEPISYCGSCYACRKGRPNVCAKLSVFGVHEDGGMREYIVLPERQLHAVSKDLPWEEAVMAEPYTIGAQAVWRGQVEKGDTVLIQGAGPIGICVLKMAKLAGAA-VMMTDLNNERLAFAKENGADAVVNVQAEHVAERVLEWTGNEGANVVIDAVCLPETFALSIEAVSPAGHVVVLGFD------ERAAQISQLPITKKEVTITGSRLQTNQFPKVVELLNGGRLMHNGLVTHTFSVDDVHHAFQFIKEHPDQVRKAVITFD 2DQ4 Chain:B ((27-329)) --------------------------EILVRVEAASICGTDLHIWKWDAWARGRIRPPLVTGHEFSGVVEAVGPGVRRPQVGDHVSLESHIVCHACPACRTGNYHVCLNTQILGVDRDGGFAEYVVVPAENAWVNPKDLPFEVAAILEPFGNAVHTVYAGSGVSGKSVLITGAGPIGLMAAMVVRASGAGPILVSDPNPYRLAFARPY-ADRLVNPLEEDLLEVVRRVTGS-GVEVLLEFSGNEAAIHQGLMALIPGGEARILGIPSDPIRFDLAGELVMRGITA--FGIAGRRLWQTWM-QGTALVYSGRVDLSPLLTHRLPLSRYREAFGLL---------------

General information: TITO was launched using: RESULT: Template: 2DQ4.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 : 1632 -179413 -109.93 -612.33 target 2D structure prediction score : 0.49 Monomeric hydrophicity matching model chain B : 0.76 3D Compatibility (PKB) : -109.93 2D Compatibility (Sec. Struct. Predict.) : 0.49 1D Compatibility (Hydrophobicity) : 0.76 QMean score : 0.442

(partial model without unconserved sides chains): PDB file : Tito_2DQ4.pdb: (Unconserved sides chains are recalculated) : Sequence: align-2DQ4-query.scw PDB file : Tito_Scwrl_2DQ4.pdb: