Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MSQFSKDQVQDMYYLSPMQEGMLFHAILNPGQSFYLEQITMKVKGSLNI-KCLEESMNVIMDRYDVFRTVFIHEKVKRPVQVVLKKRQFHIEEIDLTHLTGSEQTAKINEYKEQDKIRGFDLTRDIPMRAAIFKKAEESFEWVWSYHHIILDGWCFGIVVQDLFKVYNALREQKPYSLPPVKPYKDYIKWLEKQ---DKQASLRYWREYLEGFEGQTTFAEQRKK-QKDGYEPKELLFSLSEAETKAFTELAKSQHTTLSTALQAVWSVLISRYQQSGDLAFGTVVSGRPAEIKGVEHMVGLFINVVPRRVKLSEGITFNGLLKRLQEQSLQSEPHQYVPLYDIQSQAD------QPKLIDHIIVFENYPLQDAKNE---------ESSENGFDMVDVH-VFEKSNYDLNLMA--SPGDEMLIKLAYNENVFDEAFILRLKSQLLTAIQQLIQNPDQPVSTINLVDDRER-EFLLTGLNPPAQAHETKPLTYWFKEAVNANPDAPALTYSGQTLSYRELDEEANRIARRLQKHGAGKGSVVALYTKRSLELVIGILGVLKAGAAYLPVDPKLPEDRISYMLADSAAACLLTHQEMKEQAAELPYTGTTLFIDDQTRFEEQASDPATAIDPNDPAYIMYTSGTTGKPKGNITTHANIQGLV-KHVDYMAFSDQDTFLSVSNYAFDAFTFDFYASMLNAARLIIADEHTLLDTERLTDLILQENVNVMFATTALFNLLTDAGEDWMKGLRCILFGGERASVPHVRKALRIMGPGKLINCYGPTEGTVFATAHVVHDLPDSISSLPIGKPISNASVYILNEQSQLQPFGAVGELCISGMGVSKGYVNRADLTKEKFIENPFK-PGETLYRTGDLARWLPDGTIEYAGRIDDQVKIRGHRIELEEIEKQLQEYPGVKDAVVVADRHESGDASINAYLVNRTQLSAEDVKAHLKKQLPAYMVPQTFTFLDELPLTTNGKVNKRLLPKPDQDQLAEEWIGPRNEMEETIAQIWSEVLGRKQIGIHDDFFALGGHSLKAMTAASRIKKELGIDLPVKLLFEAPTIAGISAYLKNGGSDGLQ-DVTIMNQDQEQIIFAFPPVLGYGLMYQNLSSRLPSYK-----------LCAFDFIEEEDRLDRYADLIQKLQPEGPLTLFGYSAGCSLAFEAAKKLEEQGRIVQRIIMVDSYKKQGVSDLDGRTVES----DVEALMN-----------V---NRDNE---ALNSE-----A--------VKHGLKQKTHAFYSYYVNLISTGQVKADIDLLTSGADFDMPEWLASWEEATTGVYRVKRGFGTHAEMLQGETLDRNAEILLEFLNTQTVTVS 4ZXH Chain:A ((9-1318)) ----LEPEVLSRHAISSEQLGIWYIQRLEPTCSAYNMVVAFDVKVNQSLGNKPIEILEAVMHDYPLLRVSMPAND-QGIEQLIWDRVYPNIIFSDARHIE----ASDLTQLVEQDTKQPFDLTQPPLWRIHCYECGQNHYVIAFVIHHALMDFWSIGLLLRDVSKRFGLVAESD---AVNGIEFVQYADKQQSSVIDDTDESLIFWKNALKHAPHVHSIPLDYPRPAVQQHKGSSLVFRVSESVSSGLVNLAKDYEITLFGLVLSGFYVLLHKLSNENNLVIATPVAGRLE--RSLRNALGQFVNTIAIHMDIDADQTLRQFTQQVQEQLRQSLKHQKIAFSRVVEAVSPKRDGSINPLAQIGMFWERLGGMDEFKELLLPIQTPATLVGQDLTLGSFPVRQQEGQLDITLEMGGEYQGELVGVLKYNTDLFSAQSAENMVQLLQAVLSEMVAHPERKIVELDIAPDYKDGIQFEA-LRGKATDYAQHDLFAMILKQIDERGDNHALTS--HTVSYRELGQHIAGIAEYLRAHGITQGDRVGLMLDRTALLPAAILGIWAAGAAYVPLDPNFPTERLQNIIEDAEPKVILTQTELMDGLNVSV---PRLDINQAGV--VALEQVRETLAFGDIAYVMYTS----KPKGVRIGHPSIINFLLSMNDRLQVTTETQLLAITTYAFDISILELLIPLMYGGVVHVCPREVSQDGIQLVDYLNAKSINVLQATPATWKMLLDSEW-SGNAGLTALCGGEALDTILAEKLLGKV--GCLWNVYGPTETTVWSSAARIT----DAKYIDLGEPLANTQLYVLDEQQRLVPPGVMGELWIGGDGLAVDYWQRPELTDAQFRTLPSLPNAGRLYRTGDKVCLRTDGRLTHHGRLDFQVKIRGFRIELGEIENVLKQIDGITDAVVLVKTTGDNDQKLVAYVTGQE-LDIAGLKKNLQIHLPAYMVPSAFIRLDEFPMTANKKLDRKAFPEPIFEQS-NDYVAPRDPIEIELCTTFEQILSVKRVGIHDDFFELGGHSLLAVKLVNHLKKAFGTELSVALLAQYSTVERLGEIIRENKEIKPSIVIELRRGTYEQPLWLFHPIGGSTFCYMELSRHLNPNRTLRAIQSPGLIEADAAEVAIEEMATLYIAEMQKMQPQGPYFLGGWCFGGAIAYEISRQLRQMGQQVTGIVMIDTRAPIPENVPEDADDAMLLSWFARDLAAPYGKKLTIPAQYLRELSPDQMFDHVLKEAKAINVLPLDADPSDFRLYFDTYLANGIALQTYFPEP-EDFPILLVKAKDEQEDFGESLGWDQLVKDTLTQVDLPGDHSSIMYAENVVAVAQTIDQMYP-------

General information: TITO was launched using: RESULT: Template: 4ZXH.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 : 6797 -723413 -106.43 -587.19 target 2D structure prediction score : 0.61 Monomeric hydrophicity matching model chain A : 0.71 3D Compatibility (PKB) : -106.43 2D Compatibility (Sec. Struct. Predict.) : 0.61 1D Compatibility (Hydrophobicity) : 0.71 QMean score : 0.454

(partial model without unconserved sides chains): PDB file : Tito_4ZXH.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4ZXH-query.scw PDB file : Tito_Scwrl_4ZXH.pdb: