Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence -------MQLTHESQQLTTPKENGWCG-PLPRLVASLSSLVLPLPRTESYEFAGCAVNNRFDPRQGAFRDLPSSPP-IPLAVSLPLNNPPANFRSSAASMPPSPVRRPAVPPRQPFTSRTNALEGFPSPHPSSTPSKRRLAPSATLPP-PSYAREHGIFLGRRRPKDCEGVGQFVKRVHWEGKVMVVKYGRSVRQAEVDVMKMVRER-----THVPVPEVFGTAFDEAAGELFIYQEFIEGTTLTAAWPTLSH--PDLSRIKS---DFSRYVHELGALALPPDASLGSCDASSSYRLSEPCHAV---FAQKPEPKVQSVEDFTRWIRFEISRRSRDLANSRKDFDLERLFRDGDV----GLVHADLHGENILVKNGRIAAI-LDWELAAWMPPLVEALSLVEYSRMFDEDAGAPID-ALIDA-LGLEDATRDVLDGLCTALRAWPDEKWEEVS--------------------------------- 4RU0 Chain:A ((30-444)) GPDQQFFPLATYRVGAYASSGVQVWAGMI--DYLNYINQVEGGINGVK-LVWQECETEWTAEKGIECYERFKNGLDGAPVAVYQPNGAPAAYALSERAEVDKIPLITLGY-------GRTEATDGTVFPY--------------NFPVMLTFYSEASTLVNYIAQRE-GGFDRLKGK-----KIATLYHDSAYGRETLGPLKLLAEKYGFENIQIPVAD--------------------PGNEQSAQWRQIRQQNPDWVFLRTWGVSTPVAVKTAARFGFPVDHIIGDIWASSSEDVLPAGAAAKGYLALTPYPAGSD---------FEIHKRLKQYILDTGKSDLKDLKNFGSVYYNSGLVNAAVAVEAIRTAQGKFGKRPLNGEEGRWG---LEHLNI---------DDARLKDMGYLGLMQNLKLSCRDHEGGGAARVQQWDGANWTLISEWIAADRALLRPLIDEKAAAFAKEKRLVPRTCN

General information: TITO was launched using: RESULT: Template: 4RU0.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 : 1957 78732 40.23 223.67 target 2D structure prediction score : 0.47 Monomeric hydrophicity matching model chain A : 0.65 3D Compatibility (PKB) : 40.23 2D Compatibility (Sec. Struct. Predict.) : 0.47 1D Compatibility (Hydrophobicity) : 0.65 QMean score : 0.124

(partial model without unconserved sides chains): PDB file : Tito_4RU0.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4ru0-query.scw PDB file : Tito_Scwrl_4RU0.pdb: