Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MNYDHILIRFGEISTKGKNRKSFIERLKQNIRLVLKDYPNLKYFSNRDRMTITLNGEDPEALFPHLKQVFGIQSFSLAIKCDSRLDDIKATALKAIKDQYKPGD--TFKVATKRAYKQFELDTNQMNAEIGGHILRNTEGLTVDVRNPDIPLRIEIREEATFLTIRDEKGAGGLPVGSAGKAMLMLSGGFDSPVAGFYAMKRGLSVEAVHFFSPPYTSERAKQKVMDLAKCLSRFGGS--MTLHIVPFTKTQELIQKQIPENYTMTATRRLMLQIADRIREKRNGLAIITGESLGQVASQTLESMYAINAVTSTPILRPLIAMDKTEIIEKSREIGTYETSIQPFEDCCTIFTPPSPKTRPKKEKIEHFESFVDFEPYIQEAVDNIETMTLYSEQEANDKFAELF 4KR6 Chain:B ((8-376)) ------IVRYSEIGLKGKNRKDFEEALRRNIERV----TGMKVKRQWGRFLIPID--ENVTLDDKLKKIFGIQNFSKGFLVSHDFEEVKKYSLIAVKEKLEKGNYRTFKVQAKKAYKEYKKGVYEINSELGALILKNFKELSVDVRNPDFVLGVEVRPEGVLIFTDRVECYGGLPVGTGGKAVLLLSGGIDSPVAGWYALKRGVLIESVTFVSPPFTSEGAVEKVRDILRVLREFSGGHPLRLHIVNLTKLQLEVKKRVPDKYSLIMYRRSMFRIAEKIAEETGAVAFYTGENIGQVASQTLENLWSIESVTTRPVIRPLSGFDKTEIVEKAKEIGTYEISIKPYQDSCVFFAPKNPATRSHPSILEKLEQQVPDLPVLEE------------------------

General information: TITO was launched using: RESULT: Template: 4KR6.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 : 1931 -7364 -3.81 -20.17 target 2D structure prediction score : 0.68 Monomeric hydrophicity matching model chain B : 0.83 3D Compatibility (PKB) : -3.81 2D Compatibility (Sec. Struct. Predict.) : 0.68 1D Compatibility (Hydrophobicity) : 0.83 QMean score : 0.530

(partial model without unconserved sides chains): PDB file : Tito_4KR6.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4KR6-query.scw PDB file : Tito_Scwrl_4KR6.pdb: