Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence ----------MTIMFVRKRN----------------------SALFTVILLGSILSGCQVVNVKQQ--ALNVTIANERNSILTQGKLSEASLNVLSMSGQEAKACTDSPDTCVNQLK-------NLPQILDE---QLLSAASEMYL----AKAMALSDSSECKISRF-----------------TKHKPTEEQKVIQNKYDECL----DQQLSLLDKSIRYSYAYLFSTKRQPTDRIF-DNRQVQIRDFYNQAIAKMVSVYDLRYPQ-------------------------------------KNVVEPQI------------------HIGKSVYSIDFEFHRQLSGQKLEKLISSYNLNFSGLRTINRRDGFGSEFVAVFPSSGKE--DINEYILDPLNYSYKN-GVNPNIHHARYLAATIVAEPKHAKTIQEIINDPEFVI-------RVYD--------------------------PYRTDNI------------NVAGKQYPLATNFSAPYGLWLAENNLGVAAYLSLIDRDQHLTMPHLYMLEPYNPN--------KKIIVLVHGLASSPEAWIALTNDVMG-DTVLRDNYQVWQVFYSTNMPILESRFQIYALLKQAFGSLNPSDPAAHDAVLVGHSMGGIISRLLVSDADITKPALEMMTIRQQNRFKKHPMVTERLQ-MHSISNFDRTIFLASPHRGTDYAD--RWFTLAARKIIRLPGAFLSAVTTSLTTENLDIKDFLNNIDNGLIQNGPSDL---SHQSKFMELTENINPHQGLIFHSIMG----NITKSDDPNVITDGIVPYKSAHLEGAKSEKVLPGGHSIQLTPQAVLEL-RRILREHLVEHGLYKP-- 4ZUZ Chain:A ((8-864)) DVIKFKEPERCDYLYVDENNKVHILLPIVGGDEIGLDNTCQTAVELITFFYGSAHSGVTKYSAEHQLSEYKRQLEEDIKAINSQKKISPHAYDDLLKEKIERLQQIEKYIELIQVLKKQYDEQNDIRQLRTGGIPQLPSGVKEIIKSSENAFAVRLSPYDNDKFTRFDDPLFNVKRNISKYDTPSRQAPIPIYEGLGYRLRSTLFPEDKTPTPINKKSLRDKVKSTVLSHYKDEDRIDGEKKDEKLNELITNLQNELVKELVKSDPQYSKLSLSKDPRGKEINYDYLVNSLMLVDNDSEIGDWIDTILDATVDSTVWAVQASSPFYQGAKEISSDRDADKISIRVQYLLAEANIYCKTNKLSDANFGEFFDKEPHATEIAKRVKEGFTQGADIEPIIYDYINSNHAELGLKSPLT-GKQQQEITDKFTKHYNTIKESPHFDEFFVADPDKKGNIFSHQGRISCHFLDFFTRQTKGKHPLGDLASHQEALQEGTSNRLHHKNEVVAQGYEKLDQFKKEVVKLLAENK--PKELLDYLVATSPTGVPNYSMLSKETQNYIAYNRNWPAIQKELEKATSIPESQKQDLSRLLSRDNLQHDNLSAITWSKYSSKPLLDVELNKIAEGLELTAKIYNEKRGRE-----WWFAGSRNEARKTQCEELQRVSKEINTLLQSESLTKSQVLEKVLNSIETLDKIDRDISAESNWFQSTLQKEVRLFRDQLKDICQLDKYYFKS-TKLDEIISLEMEEQFQKIQDPAVQQIVRDLPSHCHNDEAIEFFKTLNPEEAAKVASYLSLEYREINKSTDKKTLLEQDIPRLFKEVNTQLLSKLKEEKAIDEQVHEKLSQLADKIAPEHFTRNNIIKWST

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 : 3147 200094 63.58 302.26 target 2D structure prediction score : 0.49 Monomeric hydrophicity matching model chain A : 0.67 3D Compatibility (PKB) : 63.58 2D Compatibility (Sec. Struct. Predict.) : 0.49 1D Compatibility (Hydrophobicity) : 0.67 QMean score : 0.158

(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: