Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MGIINGKEFIDRLNKLENEIWYDGEKIKGNISEHPAFKGIIKTKSSLYELQTKDELIHEMTYCLPGDHNRIGLSYLQPKTKNDLKKRRTMIEHWARHTHGMMGRSPDYMNTVMMSFASSAELLKDKENCFPEHILDMYEQAAKHDLSFTHTFITPQVNRSQSYFGLSEKPISAKVIDRTEKGLMIHGARLLATQGGL--TDEILVFSAPKFF-FET-DEAYAFSIPSNTKGVKFITRESFVLSDSSFNHPLSSRYE--EMDSIVVFDHVLVPWNRVFFYDNVEAAKDFMTKSSFHAFTFHQVVIRQMIKIEFLLGVAQLLVDT---I--NVSEYQHIQEKLSEIIVGLETIKALIDKSENDAQLDEFGYMRPCLIPLQVISTIIPKLYPRFTEIIQLIGASGMVT--LPTENAFDSEIREDLDQYLQATNTNAEERVKIFRLAWDLTMSSFGTRQTHYERYFFGDPIRISSRLYTSYPKQEQLNMIKTFLHADTEH 2WBI Chain:A ((133-395)) ----------------------------------------------------------------------------------------------------------------------------------EEQKKQWLEPLLQGNITSCFCMTEPDVAS----SDA--TNIECSIQR-DEDSYVINGKKWWSSGAGNPKCKIAIVLGRTQNTSLSRHKQHSMILVPMNTPGVKIIRPLSV----------FGYTDNFHGGHFEIHFNQVRVPATNLIL--GEGRGFEISQ--GRLGPGRIHHCMRTVGLAERALQIMCERATQRIAFKKKLYAHEVVAHWIAESRIAIEKIRLLTLKAAHSMDTL--GS-AGAKKEIAMIKVAAPRAVSKIVDWAIQVCGGAGVSQDYPLANMYAIT-------------------------------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 2WBI.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 : 1054 -46147 -43.78 -184.59 target 2D structure prediction score : 0.67 Monomeric hydrophicity matching model chain A : 0.63 3D Compatibility (PKB) : -43.78 2D Compatibility (Sec. Struct. Predict.) : 0.67 1D Compatibility (Hydrophobicity) : 0.63 QMean score : 0.403

(partial model without unconserved sides chains): PDB file : Tito_2WBI.pdb: (Unconserved sides chains are recalculated) : Sequence: align-2WBI-query.scw PDB file : Tito_Scwrl_2WBI.pdb: