Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MQLTHESQQLTTPKENGWCGPLPRLVASLSSLVLPLPRTESYEFAGCAVNNRFDPRQGAFRDLPSSPPIPLAVSLPLNNPPANFRSSAASMPPSPVRRPAVPPRQPFTSRTNALEGFPSPHPSSTPSKRRLAPSATLPPPSYAREHGIFLGRRRPKDCEGVGQFVKRVHWE--------GKVMVVKYGRS----------VRQAEVDVMKMVRERTHVPVPEVFGTAFDE-AAGELFIYQEFIEGTTLTAAWP---------TLSHPDLSRIKSDFSRYVHELGALALPPDASLGSCDASSSYRLSEPCHAVFAQKPEPKVQSVEDFTRWIRFE--ISRRSRDLANSRKDFDLERLFRDGDVGLVHADLHGENILVKNGRIAAILDWELAAWMPPLVEALSLVEYSRMFDEDA-G---------APIDALIDALGLEDATRDVLDGLCTALRAWPDEKWEEVS 3ATS Chain:A ((32-295)) ---------------------------------------------------------------------------------------------------------------------------------------------------------------GMSSETIILTARWQQDGRSIQQKLVARVAPAAEDVPVFPTYRLDHQFEVIRLVGELTDVPVPRVRWIETTGDVLGTPFFLMDYVEGVVPPDVMPYTFGDNWFADAPAERQRQLQDATVAALATLHSIPNAQNTFSF-LT-------DTTLHRHF--------NWVRSWYDFAVEGIGRSPLLERTFE-WLQSHWPDDAAAREPVLLWGDARVGNVLYRDFQPVAVLDWEMVALGPRELDVAWMIFAHRVFQELAGLATLPGLPEVMREDDVRATYQ----------------------------

General information: TITO was launched using: RESULT: Template: 3ATS.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 : 837 -2987 -3.57 -13.64 target 2D structure prediction score : 0.63 Monomeric hydrophicity matching model chain A : 0.60 3D Compatibility (PKB) : -3.57 2D Compatibility (Sec. Struct. Predict.) : 0.63 1D Compatibility (Hydrophobicity) : 0.60 QMean score : 0.241

(partial model without unconserved sides chains): PDB file : Tito_3ATS.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3ats-query.scw PDB file : Tito_Scwrl_3ATS.pdb: