Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MKKFPKKLLPIAVLSSIAFSSLASGSVPEASAQEKKKGNQDEIKNVIVLIGDGMGVSYTSAYRYLKDN------KKTKVVEPTAFDQYLVGQQTTYPDDPEQNVTDSAAAATAMSAGIKTYNNAIAVDNDGSEAKTVLEAAKEKGKATGLVATSEITHATPASFGSHDHSRKNMNSIADDYFDEMVNGKHKIDVLLGGGKSNF---------------------------DRKD-RNLIKEFKKAGYSYVDDRKDMLKNKDSQVLGLFADGGLPKKIDRTKD-------IPSLKDMTNTAIKKLNKDKDGFFLMVEGSQIDWAGHDNDIVGAMSEMEDFEQAYKAAIDFAKKDKHTLVVATADHSTGGYSIGADG-------------------------IYNWFSEPIKAAKRTPDFMAEKIA-------DGADVEKTLKTYIDQKKLALTKAEIQSVEEAA---------KSKEVLDID------------NAIENIFNKRSHTGWTTGGHTGEDVPVYAYGPSSETFA--GQIDNTEIAKNVFKALQYNIKINDK 3E2D Chain:A ((1-502)) ----------------------------------------AEIKNVILMIGDGMGPQQVGLLETYANQAPNSIYKGNKTAIYQLAQEGVIGSSLTHPEDAI--VVDSACSATMLATGIYSSSEVIGIDSQGNHVETVLEKAKKAGKATGLVSDTRLTHATPASFAAHQPHRSLENQIASDMLAT------GADVMLSGGLRHWIPKSTNDKGETYKQLEKLTQGDVYLKSKRKDDRNLLTEAEKDGYQLAFNRNMLDDAKGDKLLGLFAYSGMDDGIAYSNKKKSGERTQPSLKEMTQKALNILSKDEDGFFLMVEGGQIDWAGHSNDAGTMLHELLKFDEAIQTVYEWAKDREDTIVIVTADHETGSFGFSYSSNDLPKPQKRSGEAFADRDYAPNFNFGAFDILDGLYNQKQSYYGMISEFQKLDKSLQTPEKLAEIVNKNSEFPITAEQAKNVLASKPNPYRLAQHKYLSAEEVPAINDFDAFFPYNDRGNLLAREQATGQNIVWGTGTHTHTPVNVFAWGPAEKILPVSKIMHHSELGEYIKQQVN--------

General information: TITO was launched using: RESULT: Template: 3E2D.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 : 2608 -122147 -46.84 -300.85 target 2D structure prediction score : 0.70 Monomeric hydrophicity matching model chain A : 0.74 3D Compatibility (PKB) : -46.84 2D Compatibility (Sec. Struct. Predict.) : 0.70 1D Compatibility (Hydrophobicity) : 0.74 QMean score : 0.426

(partial model without unconserved sides chains): PDB file : Tito_3E2D.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3E2D-query.scw PDB file : Tito_Scwrl_3E2D.pdb: