Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MNIKEYDYIIIGAGSAGNVLAARLTEDKDTTVLLLEAGGPDYRLDFRTQMPAALAYPLQGRRYNWAYLTDPEPHMNNRRMECGRGKGLGGSSLINGMCYIRGNAMDLEQWATHKGLENWTYADCLPYYKKAETRDIGGNDYHGDSGPVSVATPKNGNNVLFHAMVEAGVQAGYPRTDDLNGYQQEGFGPMDRTVTPKGRRSSTARGYLDMAKG-RPNLTILTHATTNKILFNQKQAIGVEYIIGADQNNLQRALVKREVLLCAGAIASPQILQRSGVGQSTFLKSMDIDVVHDLPGVGENLQDHLEMYLQYKCKQPVSLYPALKWYNQPA-IGAEWLFNGTGIGASNQFEAGGFIRSSDEFKWPNIQYH--FLPVAINYNGSNAVKEHGFQAHVGSMRSPSRGRIKLKSKDPFAHPSILFNYMSTEQDWREFRDAIRITREIMHQPALDPYRGDEISPGKHLQTDAELDDFVRNHAETAYHPSCSCKMGEDEMAVVDGQGRVHGMNGLRVVDASIMPLIITGNLNATTIMIAEKIADQIRGREALPRSTAPFYVAS 4HA6 Chain:A ((1-508)) ----NCDIVIVGGGSAGSLLAARLSEDPDSRVLLIEAGEEPTDPDIW--NPAAW-PALQGRSYDWDYRTEAQAGTAGRAHHWARGRLIGGSSCLHAMGYMRGHPSDFQAWVDASGDRRWGWDELLPVFQAIEDHPLGGDGIHGKGGPLPIHLPADEVSPLARAFIEAGASLGLPRLEGHNSGEMIGVTPNSLN-IRDGRRVTAADAWLTKAVRGRKNLTILTGSRVRRLKLEGNQVRSLEVVGR-QGS--AE-VFADQIVLCAGALESPALLMRSGIGPHDVLDAAGVGCLIDMPDIGRNLQDHLLGAGNLYAARKPVP-----PSRLQHSESMAYM--RADS----------FTAA----GQPEIVVGCGVAPIVSESFPAP-AAGSAYSLLFGITHPTSRGSVRISGPELGDRLIIDPAYLQTGRDRERFRRALEASRTIGHRDELAGWRERELLPGTP-NSAAEMDDFIARSVITHHHPCGTCRMGKDPDAVVDANLRLKALDNLFVVDASIMPNLTAGPIHAAVLAIAETFARQYHHHH-------------

General information: TITO was launched using: RESULT: Template: 4HA6.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 : 3351 -63700 -19.01 -126.39 target 2D structure prediction score : 0.65 Monomeric hydrophicity matching model chain A : 0.76 3D Compatibility (PKB) : -19.01 2D Compatibility (Sec. Struct. Predict.) : 0.65 1D Compatibility (Hydrophobicity) : 0.76 QMean score : 0.476

(partial model without unconserved sides chains): PDB file : Tito_4HA6.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4HA6-query.scw PDB file : Tito_Scwrl_4HA6.pdb: