Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MKRPIYLDYAATTPVDPQVAERMMECLTFDGTFGNAASRSHAYGWQAEEKVEYAREQVANLIKADPREIVWTSGATESDNLALKGVAQFYASKGKHIITSKIEHKAVLDPCRELEEQGFEITYLEPEPQTGLITPEMVKAALRPDTILVSLMMVNNEIGTVTDVAVIGELTRANKTFFHVDAAQAAGKVDIDLSTMKIDLMSFSAHKIYGPKGIGALYVRRSPRVRLKAQIHGGGHERGMRSGTLATHQIVGMGEAFELAGKTMHAEQERIRKLRDKL-WNGLQDLEQVFLNGHPTQNVANYLNVSFNFVEGESLMMSLKDAAVSSGSACTSATLEPSYVLRALGLSDELAHSSIRFSFGKYTTEEDIDHVLTITKAAVEKLRELSPLWDMYKEGIDLSTVEWAEH 5USR Chain:A ((24-414)) MLRPLYMDVQATTPLDPRVLDAMLPYLI--NYYGNPHSRTHAYGWESEAAMERARQQVASLIGADPREIIFTSGATESNNIAIKGVARFYRSRKKHLITTQTEHKCVLDSCRSLEAEGFQVTYL-PVQKSGIIDLKELEAAIQPDTSLVSVMTVNNEIGVKQPIAEIGRICSSRKVYFHTDAAQAVGKIPLDVNDMKIDLMSISGHKIYGPKGVGAIYIRRRPRVRVEALQ-----------GTVPTPLVVGLGAACEVAQQEMEYDHKRISKLSERLIQNIMKSLPDVVMNGDPKHHYPGCINLSFAYVEGESLL-----------------SLEPSYVLRAIGTDEDLAHSSIRFGIGRFTTEEEVDYTVEKCIQHVKRLREMSPLWEMVQD------------

General information: TITO was launched using: RESULT: Template: 5USR.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 : 2033 -172775 -84.99 -477.28 target 2D structure prediction score : 0.72 Monomeric hydrophicity matching model chain A : 0.85 3D Compatibility (PKB) : -84.99 2D Compatibility (Sec. Struct. Predict.) : 0.72 1D Compatibility (Hydrophobicity) : 0.85 QMean score : 0.520

(partial model without unconserved sides chains): PDB file : Tito_5USR.pdb: (Unconserved sides chains are recalculated) : Sequence: align-5USR-query.scw PDB file : Tito_Scwrl_5USR.pdb: