Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MQEKDRAVVTELLQKAGREDFIPLQENQLAGDGSSRRFYRLASGGETLIAVLPAGEEAKDRAES-RAAYHIGGYLLACGTPVPAIYGWD--------EASGGLLFQDLGNTRLQDVAHTEEGRQLYRQLVRALAGMNCRARGIDSSWC--WDSPCY--DRSLMLERESGYFLRAFWQGLLG-QEVPIGLAEEFSSLA---DAVS-LYSTDFFLHRDFQSRNIMIHA---GRPSIIDFQGGRRGPLGYDLASLLYDPYV------------DLDEDFRALLWEDYLAALGAQIDISREDFAKQYSLLACQRSLQIIGAFSWLSAVAKKTFFVQFIRPSLLNLEKILSAPYYQNYRVLRQTVRRGLSLYR 4OCV Chain:A ((24-298)) ----TNEALFDVASHFALEG-TVDSIEPYGDGHIN-TTYLVTTDGPRYILQRMNTGIFPDTVNLMRNVELVTSTLKAQGKETLDIVRTTSGDTWAEIDGGAWRVYKFIEHTMSYNLVP---NPDVFREAGRAFGDFQNFLSGFDANQLTETIAHFHDTPHRFE--DFKKALAADELGRAAGCGPEIEFYLSHADQYAVVMDGLRDGSIPLRVTHNDTKLNNILMDATTGKARAIIDLDTIMPGSMLFDFGDSIRFGASTALEDERDLDKVHFSTELFRAYTEGFVG----------------------------------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 4OCV.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 : 990 -36613 -36.98 -151.29 target 2D structure prediction score : 0.55 Monomeric hydrophicity matching model chain A : 0.61 3D Compatibility (PKB) : -36.98 2D Compatibility (Sec. Struct. Predict.) : 0.55 1D Compatibility (Hydrophobicity) : 0.61 QMean score : 0.219

(partial model without unconserved sides chains): PDB file : Tito_4OCV.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4ocv-query.scw PDB file : Tito_Scwrl_4OCV.pdb: