Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence --------------------------------------------------------------------------------------------------------------------------------------------------------------------------------MPFFGFTPSEGLLNDIQTGIANKNSSEPLYPLRDKIALQLNEEIIENVLTQLVQHFPASEK---RDTAEKLAGYVKSTVAVLLKQLLSKAPNDVVKQSVEFSEKSLFKDPQGQYKVGVALDAGLVTNLKHNFAELQAGNDINKAALAELYKQFGDAMVRHFMSDFNKTLDLGMIKRKAADIGAAAVTKAVHIAIDKLIPSLN-RTELKAMAEYHDGLFFN------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------ 4ZUZ Chain:A ((8-864)) DVIKFKEPERCDYLYVDENNKVHILLPIVGGDEIGLDNTCQTAVELITFFYGSAHSGVTKYSAEHQLSEYKRQLEEDIKAINSQKKISPHAYDDLLKEKIERLQQIEKYIELIQVLKKQYDEQNDIRQLRTGGIPQLPSGVKEIIKSSENAFAVRLSPYDNDKFTRFDDPLFNVKRNISKYDTPSRQAPIPIYEGLGYRLRST-LFPEDKTPTPINKKSLRDKVKSTVLSHYKDEDRIDGEKKDEKLNELITNLQNELVKELVKSDP--------QYSKLSLSKDPRGK-------------EINYDYLVNSLMLVDNDSEIGDWIDTILDATVDSTVWAVQASSPFY---QGAKEISSDRDADKISIRVQYLLAEANIYCKTNKLSDANFGEFFDKEPHATEIAKRVKEGFTQGADIEPIIYDYINSNHAELGLKSPLTGKQQQEITDKFTKHYNTIKESPHFDEFFVADPDKKGNIFSHQGRISCHFLDFFTRQTKGKHPLGDLASHQEALQEGTSNRLHHKNEVVAQGYEKLDQFKKEVVKLLAENKPKELLDYLVATSPTGVPNYSMLSKETQNYIAYNRNWPAIQKELEKATSIPESQKQDLSRLLSRDNLQHDNLSAITWSKYSSKPLLDVELNKIAEGLELTAKIYNEKRGREWWFAGSRNEARKTQCEELQRVSKEINTLLQSESLTKSQVLEKVLNSIETLDKIDRDISAESNWFQSTLQKEVRLFRDQLKDICQLDKYYFKSTKLDEIISLEMEEQFQKIQDPAVQQIVRDLPSHCHNDEAIEFFKTLNPEEAAKVASYLSLEYREINKSTDKKTLLEQDIPRLFKEVNTQLLSKLKEEKAIDEQVHEKLSQLADKIAPEHFTRNNIIKWST

General information: TITO was launched using: RESULT: Template: 4ZUZ.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 : 624 36371 58.29 190.42 target 2D structure prediction score : 0.54 Monomeric hydrophicity matching model chain A : 0.60 3D Compatibility (PKB) : 58.29 2D Compatibility (Sec. Struct. Predict.) : 0.54 1D Compatibility (Hydrophobicity) : 0.60 QMean score : 0.201

(partial model without unconserved sides chains): PDB file : Tito_4ZUZ.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4ZUZ-query.scw PDB file : Tito_Scwrl_4ZUZ.pdb: