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 3ATT Chain:A ((32-295)) ---------------------------------------------------------------------------------------------------------------------------------------------------------------GMSSETIILTARWQQDGRSIQQKLVARVAPAAEDVPVFPTYRLDHQFEVIRLVGELTDVPVPRVRWIETTGDVLGTPFFLMDYVEGVVPPDVMPYTFGDNWFADAPAERQRQLQDATVAALATLHSIPNAQNTFSF-LT-------DTTLHRHF--------NWVRSWYDFAVEGIGRSPLLERTFE-WLQSHWPDDAAAREPVLLWGDARVGNVLYRDFQPVAVLDWEMVALGPRELDVAWMIFAHRVFQELAGLATLPGLPEVMREDDVRATYQ----------------------------

General information: TITO was launched using: RESULT: Template: 3ATT.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 : 852 2910 3.41 13.29 target 2D structure prediction score : 0.64 Monomeric hydrophicity matching model chain A : 0.60 3D Compatibility (PKB) : 3.41 2D Compatibility (Sec. Struct. Predict.) : 0.64 1D Compatibility (Hydrophobicity) : 0.60 QMean score : 0.241

(partial model without unconserved sides chains): PDB file : Tito_3ATT.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3att-query.scw PDB file : Tito_Scwrl_3ATT.pdb: