Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MNKKKKYVHTKQFNSHDCGLACISSILKFHNLNYGIDFLLDLIGDKEGYSLRDLIVIFKKMGIKTRPLELQENKTFEALKQIKLPCIALLEGEEYGHYITIYEIRNNYLLVSDPDKDKITKIKKEDFESKFTNFILEIDKESIPEKEKDQKKHSYFFKDILFRNKLIVFVILLTSLFVVGLAVAGSFYIKFLVDLIIPRSL---RESLITITLIFISMVLIRCIFDFVRSYLIIKLSYKVDKEMSNVYFNKVTKLPINFFENREDGEVISRFN-DGIYIKDFFSANFVTAI-IDIILILGLGVILYRTNNI--LFLTIILPILLLSCLAILFFDHLKKKNQKLMEDKAKSTSLLINFLKNMTTVYSLNKTSFFLEKFHLTYDK--QLNSTFSVAKAVISNEILKGLIQNSFTIIILWVGTRQVLNDSMSLGTLLFINTLAAFLLSSLDRILSMQSDLQQAHVASIRFFDVVNYPVQQDSNEN--LTELDFIQNI--KTVNLNIGADPMRYIVEDINLILDRKDKVLIIGESGTGKSTFAKSLSKLYKVPDKSIYLNGLDINRYDHLSIRKRIVYIDENPFLFKGTIKENLCMG----EIFDQNEIENACIMSQCHEFICNLDKQYSYKLSENGSNLSTGQKQRLALARAILHQPQVLILDESLSNIDPDNTKLIYETLHR-MDCLIILITHNDPSNFK-YNKKLVFRNNRIIESSYSENKEYSI 4AYW Chain:A ((49-598)) ------------------------------------------------------------------------------------------------------------------------------------------------------------------RRRLAAAVGFLTMSSVISMSA--PFFLGKIIDVIYTNPTVDYSDNLTRLCLGLSAVFLCGAAANAIRVYLMQTSGQRIVNRLRTSLFSSILRQEVAFFDKTRTGELINRLSSDTALLGRSVTENLSDGLRAGAQASVGISMMFFVSPNLATFVLSVVPPV---SIIAVIYGRYLRKLTKVTQDSLAQATQLAEERIGNVRTVRAFGKEMTEIEKYASKVDHVMQLARKEAFARAGFFGAT--GLSGNLIVLSVLYKGGLLMGSAHMTVGELSSFLMYAFWVGISIGGLSSFYSELMKGLGAGGRLWELLEREPKLPFNEGVILNEKSFQGALEFKNVHFAYPARPEVPIFQDFSLSIPSGSVTALVGPSGSGKSTVLSLLLRLYDPASGTISLDGHDIRQLNPVWLRSKIGTVSQEPILFSCSIAENIAYGADDPSSVTAEEIQRVAEVANAVAFIRNFPQGFNTVVGEKGVLLSGGQKQRIAIARALLKNPKILLLDE----LDAENEYLVQEALDRLMDGRTVLVIAHHLSTIKNANMVAVLDQGKITE--YGKHEE---

General information: TITO was launched using: RESULT: Template: 4AYW.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 : 1993 -11815 -5.93 -22.42 target 2D structure prediction score : 0.68 Monomeric hydrophicity matching model chain A : 0.70 3D Compatibility (PKB) : -5.93 2D Compatibility (Sec. Struct. Predict.) : 0.68 1D Compatibility (Hydrophobicity) : 0.70 QMean score : 0.385

(partial model without unconserved sides chains): PDB file : Tito_4AYW.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4AYW-query.scw PDB file : Tito_Scwrl_4AYW.pdb: