Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MNSPSYTPYILHTHGRSGDGTAAAAAPAMNMQTTAAAATNVGSSSSSMVGGAGSSSSVGPSSGSCVPTVHGVGYFNTFVKAIHPSDMKQALLPPNMRDRAVVLDMTHSNQVAEATAAHRRPFSSGANSRRNSSFCGNHGHVHHHPSVSRAQAVSQRSYASGSNGGLRSSSSMSGFHTAAGIYNGKNSNHHHAAATHGVNDCALPYPESASAAPHPQPHQQQQPGHPPSPAWRGHLSSMPTVNLGTSPRLLPSAVPAAASDQEDQHRRHYRARSYTVGGRVSSSRSGGGAMVAATAADATTPSASGSVGYVDSATSPSPNRSVSLASSSPAAAAPVFGAVATTAAGQCSRTPTLIRHPSVSRAGSSVETTMTAITATLPPAPPLPAYAESRASSAVTGTMTPRTPRPANAAIEAAAAGVSSARRGTRLIEHPSHGAFSGHQRSVSSDIVNGLDDSVDSVRCGSLPSASNTSAANMMGSASGTSDCYNYGSATAASRHGGTAVFAASHRYARDSVASEDKADDEGRRHRGPLRRYSTTLTNTTTEDEDEPQQQLAQPSTLELLRGNHLRRESGACAGGGNVNVAVVLSRARAARTSATGAAVAGSTNRDGSPTTAIERWRAQEQQRKRDEERQQQQQRQRLSARQWREAFHRLQEKRVQWRMRGYIGRGTSGVVYEGVLEDRKQTPVAVKVLEVGVPIPVDLDTSGDDGDGQSSRQARYTENSGTPTSAAAAAAADAAYMSPSQQEALLVLLREVEMMEKLHHENIVTCLRCQVTPVQDRYLELHQQQQQQCRDGGSTNGKGLSGAAAAGRDSERVGERRYDSAGRHYVDNGKAAVCDGAFSASQSPQRNAAARIPVQVEIVMELCNRGTISSVVRRSPGGQLPVRVARRYLRDVLKGLAYLHRNNFIHRDVKGDNVLISADDVAKLADFGCSRRIVLTNNVHGTADSEGTTSSIATTRTAATDSRFTTMAEYQWFD--TTGVAQTMVGTPMFMAPEIIQASGPPCMATPTASSLASSSGEGNDGGHGSSRKATSPPAPVGYTASADIWSFGCLVLEVF-GRTPWPTSGSNAYHLMKQIEQSVADLPPGVPDGTPAELLGLLRCCFHRDPHR---RSTARALLRAPWMTCKDEELEEMPPRRRY 4LQS Chain:A ((97-453)) --------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------TRLSLEDFHTVKVIGKGAFGEVRLVQKKD-TGKIYAMKTLLKSEMY---------------------------------------------KK---------------SDSPWVVSLYYSFQDA--------------------------------------------------------------------------------QYLYLIMEFLPGGDLMTMLIRW--QLFTEDVTRFYMAECILAIETIHKLGFIHRAIKPDNILIDIRGHIKLSDFGLSTGFHKTHDSNY------------------------NRQQIQTWRKSRRLMAYSTVGTPDYIAPEIFLYQ--------------------------------------GYGQECDWWSLGAIMYECLIGWPPFCSETP--QETYRKIMNFEQTLQFPDDIHISYEAEDLIRRLLTHADQRLGRHGGADEIKSHPFFRGVD------------

General information: TITO was launched using: RESULT: Template: 4LQS.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 : 1171 -94380 -80.60 -353.48 target 2D structure prediction score : 0.58 Monomeric hydrophicity matching model chain A : 0.60 3D Compatibility (PKB) : -80.60 2D Compatibility (Sec. Struct. Predict.) : 0.58 1D Compatibility (Hydrophobicity) : 0.60 QMean score : 0.357

(partial model without unconserved sides chains): PDB file : Tito_4LQS.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4LQS-query.scw PDB file : Tito_Scwrl_4LQS.pdb: