Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MSSVDSDKLATSIRALAGSRDERIAFVTEGVKQAKELQGKSVQEYEMVVSSLLMCLESFEVVHGTSLDVLCELTVLDILLNLDLSVIQLSQCNSYLRLCLMAVNEIPVAVAAAKTFAQTLSYSMTTDFVRTQIGETLEWISLSDAKSQPRRICGILVLTEVALRIPMVILPRLSEVFDRAWDCLVVHDEEVRSRALCLFTLCAKLLVNRPAAIRAETCDALMSHLKGNLASKSKGKRIAGLLAFEPIVINSIGTSNIRYEDLSNLLVPYIMGGGANVNADTRELLFRCLVVLCRFSAPQFVAHQLKESVRFALDSINRNIQRNTAFEMLSEIIPIVGKTEFAPFVDDTCEVIKTIFEKSPSPCWKALQCFSIICKECRPSKMETYVESCIENVFVWGLSAELIECMRAIIESSSVQYRAKLEESLLDMISVTLCGLPFRQQIDAPRVSESSTDVSASEYQISVALNALKQFGFSNSELMGDFLRVSVLPFIDNNSVAVRNAAVYTIVKLLIPPGEKGDLSIARRMCVNTVITRMLVVGLSDPNPVVRQTILSAFTEDFYPYLSEQQYLFRFYSALGDESINCRVAATEQLCQMIRYDPSHILPALREEMVVILHFITSTFNMDTVQNGFRLLAAIATRAPQLVVNFTEGICEALAPYFSTLSSRSGILLSFLHCCTAVAAALRKFGSTPFSSKREIALVCELLETLPADRSYHIIRLSCLRFLSATLAPLMEGASPYVLYPRLFQQLCTVLHRTEESVDIRLEALRCIGVIGALDSHVFQSFNLNEKEKASGMSAVVVDRVTHVKCCRIVLCAVAALLDPESKRSAGAREGLLRTGVQTMLNIFEHVPCSKSEIGLVIGPLARVIRQLPGGRLFATVLFEFCNIIRYGGAVVLNDLNEIYRVFDNVWEFQVNYRFLAVRMLSFVANFEASGNLHYGQQHSRILPQLFDTLNRADLRADLKYAVLEYIVRHVDSLQPCTEAAVDNLLGAIQNPANPLDFVNHCVVTLKEICVKLYVDELVGAIVRCLLACLSVDLARKTRGRDNIALCNNIMGVFCVLIEELQGNFLKYSTYIIQALKNYRITNTEFGVMNNRVATGLRCARSAMSIQQQNAEVAALLKTCESVVMKSMSRMGEVWSYANLNDDNANAGAAEERTMPINEQRLINPMKVVPLTKEEWVKWSDQFAITLLQESPFQVFRCTAVPIGINAAPLVEKSTQFVQDTLQIAFRSMWNYASSALQTAITDFFRQSFRQAMMSTTVPAEVVTMLLGIVEYMDHVGEALFISYNDLSECAWNRGMLAKALFWREAAYRDDP-VGTVESLISLYSELHMVDSSVGILNMTSEEQRRSLLQTSLVK-LARYTEALQLTQQELELEAAPLEESSTENLSKGCGYKNGSRGWSRMLHYTSNSDLTPSSSKAEESCRDRRVEVNARLMLCLSELGEYDKVLEQWGSMLHNYKDRVTDTDEMHVLFFVSQYAADASIRLQSWDTLEHVLDWLPPDMVLYHVSKAALEVVRGNYDAALVSVTNGRKVLLEDLTSLLHESYARAYEGLVVAQQLTEVEEVIIAKQTQKALSSAAHIPHLCHIWEQRIRMMHATVPTWKQVLGIRGLLISPHEDVKTRIQFTKLCRQEKARQLEKFTLAELLGFANPTLEQLTSRNVNPRVVMQYISYLSETNALGPGSAFGTESDLIKKMIDVHT----------KAENSAVLARAYTRLGSKVDLIESV---------QCFKTAIMYDPQWFLAWRKWAEANAQLLQTDKGEETCRN-------------------AIEGFIRSIQLGTSDSTLIQDVLKLLTLWSSHCDSDHNLKELRERVFDVPSRVWHLVVPQLVARLDTGSDDSCRLVADVLTNVGYDYPHTLVYPLNLCTMSDSERRNRYSNEVLGKLQERYPVIVLQGRLMIDELIRVSALIYEQWYDKLEAAATAFFGRRSTDEMIRTLLPIHETLTRVPETVVESEFLSKYSKRLTEARDWLRSYSSTRYTGDIQSAWKLYHSVYCNIDKQIKSSDTLQLQFCSPKLFEARNLSIGIPDARPVREESVAKVNRFQKDIIVIASKQRPKRIGIITAEGRLQKFLLKGREDLRLDERVMQLFSLVNILMQSDSRTSKNLGFQIQRYSVTPLKDNVGIIGWVDGCDTLHEVVKHFRERKSIPVELEMRMLDQIITFDNSKAYDYLTIMSKVEVLEFLSDHTSGQDIRKAMWNTSPNCEVWYDRRRMYTTSLANMSIVGYILGLGDRHPNNIMLQRASGLVVHIDFGDCFEVAMTRDKFPEKVPFRLTRMLRSALDVSGVDGAFRACSETAMCVLREGSHSVLALLEAFIQDPLISWRLINRHGQEPESSNDHKTIEQQVNIANMRNATSTAGAESMCDSVGKRDSGTFSVAKHLCGEEVDVVHQGVFIVKRLSSKLKGQDFISAGTEPLDPRTQVGQLIEEATDVTNVAQSWSGWYPFW 4JSP Chain:A ((10-1174)) ----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------ERAAKCRAYAKALHYKELEFQKGPTPAILESLISINNKLQQPEAAAGVLEYAMKHFGELEIQATWYEKLHEWEDALVAYDKKMDT-------------------------------------------------NKDDPELMLGRMRCLEALGEWGQLHQQCCEKWTLVND--------ETQAKMARMAAAAAWGLGQWDSMEEYTCMIPRDTHDGAFYRAVLALHQDLFSLAQQCIDKARDLLDAELTAMAGESYSRAYGAMVSCHMLSELEEVIQYKLVPE------RREIIRQIWWERLQGCQRIVEDWQKILMVRSLVVSPHEDMRTWLKYASLCGKSGRLALAHKTLVLLLGVDPSRQLDHPLPTVHPQVTYAYMKNMWKSAR--KIDAFQHMQHFVQTMQQQAQHAIATEDQQHKQELHKLMARCFLKLGEWQLNLQGINESTIPKVLQYYSAATEHDRSWYKAWHAWAVMNFEAVLHYKHQNQARDEKKKVTEDLSKTLLMYTVPAVQGFFRSISLSRGNN--LQDTLRVLTLWFDYGHWPDVNEALVEGVKAIQIDTWLQVIPQLIARIDTPRPLVGRLIHQLLTDIGRYHPQALIYPLTVASKSTTTARHNAANKILKNMCEHSNTLVQQAMMVSEELIRVAILWHEMWHEGLEEASRLYFGERNVKGMFEVLEPLHAMMERGPQTLKETSFNQAYGRDLMEAQEWCRKYMKSGNVKDLTQAWDLYYHVFRRISKQLPQLTSLELQYVSPKLLMCRDLELAVPGTYD-PNQPIIRIQSIAPSLQVITSKQRPRKLTLMGSNGHEFVFLLKGHEDLRQDERVMQLFGLVNTLLAND-PTSLRKNLSIQRYAVIPLSTNSGLIGWVPHCDTLHALIRDYREKKKILLNIEHRIMLRM-----APDYDHLTLMQKVEVFEHAVNNTAGDDLAKLLWLKSPSSEVWFDRRTNYTRSLAVMSMVGYILGLGDRHPSNLMLDRLSGKILHIDFGDCFEVAMTREKFPEKIPFRLTRMLTNAMEVTGLDGNYRITCHTVMEVLREHKDSVMAVLEAFVYDPLLNWRLMDTNTA--------------------------------------------------------LNKKAIQIINRVRDKLTGRDF--SHDDTLDVPTQVELLIKQATSHENLCQCYIGWCPFW

General information: TITO was launched using: RESULT: Template: 4JSP.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 : 4624 41110 8.89 40.38 target 2D structure prediction score : 0.68 Monomeric hydrophicity matching model chain A : 0.60 3D Compatibility (PKB) : 8.89 2D Compatibility (Sec. Struct. Predict.) : 0.68 1D Compatibility (Hydrophobicity) : 0.60 QMean score : 0.464

(partial model without unconserved sides chains): PDB file : Tito_4JSP.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4JSP-query.scw PDB file : Tito_Scwrl_4JSP.pdb: