Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MEKLYDVIVVGAGTSGMMAAISAAEQGARVLLIEKNKKAGKKLLMTGGGRCNVTN--NRPVDDLIAHIPGNGKFLYSTFAQWNNFDIMNFFESQGVHLKEEDHGRMFPVTNKSKTIIEALLNRLKELDVTLLFSTRVEKLIHKEHKIYGIRTEFEEFHAPAIILTTGGRTYPSTGSTGDGYKIVKRVGHTVTPLYATESPLISDEPYIQEKTLQGLSLQDITLRVLNKKGRVLTEHTMDLLFTHFGISGPAALRCSSFVNKELEKTGEPVTLSLDCFPTQTKQELIHILTEKSKATKKNLVN-AWHGILPERLLVFFLERLEMDHLTGQQASQKQIQDFVQLCKEFKLSINKTFPIEKSFVTGGGVSLKEIYPKTLESKIIDGLYFAGELLDVNGYTGGFNITAAFATGHVAGMNAGQRA 3V76 Chain:A ((46-416)) ----------------------AGKRGRRVLVIDHARAPGEKIRISGGGRCNFTNIHASPRN----FLSGNPHFCKSALARYRPQDFVALVERHGIGWHEKTLGQLF-CDHSAKDIIRMLMAEMKEAGVQLRLETSIGE-VERTASGFRVTTSAGTVDAASLVVASGGKSIPKMGATGLAYRIAEQFGLPVVETRPALVPLTLDQAQLAKLG----ALAGVAADAEARFGKAAFREAV--LITHRGLSGPAILQISSYW-----REGEEIVLRL-----MPDIDIASILKGMRRANGRQAVQTALADILPRRLAQFFADEAKLTGRMLADLSDKTIDALASSIQVWAVKPAGSEGYRTAEVTLGGVDTRALDSRTMQAKEVPGLYFVGECVDVTGWLGGYNFQWAWASGFVAGQD-----

General information: TITO was launched using: RESULT: Template: 3V76.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 : 1965 23071 11.74 62.69 target 2D structure prediction score : 0.52 Monomeric hydrophicity matching model chain A : 0.75 3D Compatibility (PKB) : 11.74 2D Compatibility (Sec. Struct. Predict.) : 0.52 1D Compatibility (Hydrophobicity) : 0.75 QMean score : 0.360

(partial model without unconserved sides chains): PDB file : Tito_3V76.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3V76-query.scw PDB file : Tito_Scwrl_3V76.pdb: