Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MEEPEEPADSGQSLVPVYIYSPEYVSMCDSLAKIPKRASMVHSLIEAYALHKQMRIVKPKVASMEEMATFHTDAYLQHLQKVSQEGDDDHPDSIEYGLGYDCPATEGIFDYAAAIGGATITAAQCLIDGMCKVAINWSGGWHHAKKDEASGFCYLNDAVLGILRLRR--KFERILYVDLDLHHGDGVEDAFSFTSKVMTVSLHKFSPG-FFPGTGDVSDVGLGKGRYYSVNVPIQDGIQ----DEKYYQICESVLKEVYQAFNPKAVVLQLGADTIAGDPMCSFNMTPVG----IGKCLKYILQWQLATLILGG------GGYNLANTARCWTYLTGVILGKTLSSEIPDHEFFTAYGPDYVLEITPSCRPDRNEPHRIQQILNYIKGNLKHVV 3ZNS Chain:A ((189-369)) ---------------------------------------------------------------------------------------------------------------------------------------------HHADHSTAMGFCFFNSVAIACRQLQQQSKASKILIVDWDVHHGNGTQQTFYQDPSVLYISLHRHDDGNFFPGSGAVDEVGAGSGEGFNVNVAWAGGLDPPMGDPEYLAAFRIVVMPIAREFSPDLVLVSAGFDAAEGHP------APLGGYHVSAKCFGYMTQ-QLMNLAGGAVVLALEGGHDL--TAIC---------------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 3ZNS.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 : 851 -19886 -23.37 -121.25 target 2D structure prediction score : 0.76 Monomeric hydrophicity matching model chain A : 0.62 3D Compatibility (PKB) : -23.37 2D Compatibility (Sec. Struct. Predict.) : 0.76 1D Compatibility (Hydrophobicity) : 0.62 QMean score : 0.559

(partial model without unconserved sides chains): PDB file : Tito_3ZNS.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3ZNS-query.scw PDB file : Tito_Scwrl_3ZNS.pdb: