Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence ---------------------------------MKHQNPSKRLLRLSIKYLLAAAAV-VLTYFAVIYILFSLAGTSYRSAAHVLLFAVVFLVLGLCFEPFERLMIHSFTFFKTGKRLFILLAGIVQLLFLWMTAHTTDQLISDIWLSTTEEMIVAAVFLILDKCNSALPS-------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------- 5AYC Chain:A ((1-386)) MIHEKYTEMRNEQEALLSRKNTKTSFYNGIYDRYEHPVLTREHIPLHWRYDLNKETNPFFQERLGINAVFNAGAIKLND-----RYCLVARVEG-----NDRKSFFAVAESDKGTEGFRFRQYPVCLPAL----TDDETNVYDMRLTQHEDGWIYGVFCVEKSAGTADLSEAVASAGIARTKDLTNWERLPDLVTLRSPQQRNVTLLPEFVDGKYAFYTRPMDGFIETGSGGGIGFGLADDITHAVIDEERMTSIRRYHTITESKNGAGATPIKTERGWLNIAHGVRNTAAGLRYVIYCFVTDLSEPWKVIAEPGGYLIAPFKDERVGDVSNVVFTNGAIVDDNGDVYIYYASSDTRLHVAVSSIDKLLDYAFNTPADALRTAECVKQRCDLIKRNIELL

General information: TITO was launched using: RESULT: Template: 5AYC.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 : 422 -27456 -65.06 -225.05 target 2D structure prediction score : 0.16 Monomeric hydrophicity matching model chain A : 0.55 3D Compatibility (PKB) : -65.06 2D Compatibility (Sec. Struct. Predict.) : 0.16 1D Compatibility (Hydrophobicity) : 0.55 QMean score : 0.106

(partial model without unconserved sides chains): PDB file : Tito_5AYC.pdb: (Unconserved sides chains are recalculated) : Sequence: align-5AYC-query.scw PDB file : Tito_Scwrl_5AYC.pdb: