Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MSSVDSDKLATSIRALAGSRDERIAFVTEGVKQAKELQGKSVQEYEMVVSSLLMCLESFEVVHGTSLDVLCELTVLDILLNLDLSVIQLSQCNSYLRLCLMAVNEIPVAVAAAKTFAQTLSYSMTTDFVRTQIGETLEWISLSDAKSQPRRICGILVLTEVALRIPMVILP-RLSEVFDRAWDCLVVHDEEVRSRALCLFTLCAKLLVNRPAAIRAETCDALMSHLKGNLASKSKGKRIAGLLAFEPIVINSIGTS----NI-RYEDLSNLLVPYIMGGGANVNADTRELLFRCLVVLCRFSAPQFVAHQLKESVRFALDSINR--NIQRNTAFEMLSEIIPIVGKTEFAPFVDDTCEVIKTIFEKSPSP-CWKALQCFSIICKECR--PSKMETYVESCIENVFVWGLSAELIECMRAIIESSSVQYRAKLEESLLDMISVTLCGLPFRQQIDAPRVSESSTDVSASEYQISVALNALKQFGFSNSELMGDFLRVSVLPFIDNNSVAVRNAAVYTIVKLLIPPGEKGDLSIARRMCVNTVITRMLVVGLSDPNPVVRQTILSAFTEDFYPYL------SEQQYLFRFYSALGDESINCRVAATEQLCQMIRYDPSHILPALREEMVVILHFITSTFNMDTVQNGFRLLAAIATRAPQLV--VNFTEGICEALAPYFSTLSSRSGILLSFLHCCTAVAAALRKFGS--TPFSSKREIALVCELLETLPAD---------------RSYHIIRLSCLRFLSATLAPLMEGASPYVLYPRLFQQLCTVLHRTEESVDIRLEALRCIGVIGALDSHVFQSFNLNEKEKASGMSAVVVDRVTHVKCCRIVLCAVAALLDPESKRSAGAREGLLRTGVQTMLNIFEHVP--CSKSEIGLVIGPLARVIRQLP-GGRLFATVLFEFCNIIRYGGAVVLNDLNEIYRVFDNVWEFQ--VNYRFLAVRMLSFVANFEASGNLHYGQQHSRILPQLFDTLNRADLRADLKYAVLEYIVRHVDSLQPCTEAAVDNLLGAIQNPANPLDFVNHCVVTLKEICVKLYVDELVGAIVRCLLACLSVDLARKTRGRDNIALCNNIMGVFCVLIEELQGNFLKYSTYIIQALKNYRITNTEFGVMNNRVATGLRCARSAMSIQQQNAEVAALLKTCESVVMKSMSRMGEVWSYANLNDDNANAGAAEERTMPINEQRLINPMKVVPLTKEEWVKWSDQFAITLLQESPFQVFRCTAVPIGINAAPLVEKSTQFVQDTLQIAFRSMWNYASSALQTAITDFFRQSFRQAMMSTTVPAEVVTMLLGIVEYMDHVGEALFISYNDLSECAWNRGMLAKALFWREAAYRDDPVGTVESLISLYSELHMVDSSVGILNMTSEEQRRSLLQTSLVKLARYTEALQLTQQELELEAAPLEESSTENLSKGCGYKNGSRGWSRMLHYTSNSDLTPSSSKAEESCRDRRVEVNARLMLCLSELGEYDKVLEQWGSMLHNYKDRVTDTDEMHVLFFVSQYAADASIRLQSWDTLEHVLDWLPPDMVLYHVSKAALEVVRGNYDAALVSVTNGRKVLLEDLTSLLHESYARAYEGLVVAQQLTEVEEVIIAKQTQKALSSAAHIPHLCHIWEQRIRMMHATVPTWKQVLGIRGLLISPHEDVKTRIQFTKLCRQEKARQLEKFTLAELLGFANPTLEQLTSRNVNPRVVMQYISYLSETNALGPGSAFGTESDLIKKMIDVHTKAENSAVLARAYTRLGSKVDLIESVQCFKTAIMYDPQWFLAWRKWAEANAQLLQTDKGEETCRNAIEGFIRSIQLGTSDSTLIQDVLKLLTLWSSHCDSDHNLKELRERVFDVPSRVWHLVVPQLVARLDTGSDDSCRLVADVLTNVGYDYPHTLVYPLNLCTMSDSERRNRYSNEVLGKLQERYPVIVLQGRLMIDELIRVSALIYEQWYDKLEAAATAFFGRRSTDEMIRTLLPIHETLTRVPETVVESEFLSKYSKRLTEARDWLRSYSSTRYTGDIQSAWKLYHSVYCNIDKQIKSSDTLQLQFCSPKLFEARNLSIGIPDARPVREESVAKVNRFQKDIIVIASKQRPKRIGIITAEGRLQKFLLKGREDLRLDERVMQLFSLVNILMQSDSRTSKNLGFQIQRYSVTPLKDNVGIIGWVDGCDTLHEVVKHFRERKSIPVELEMRMLDQIITFDNSKAYDYLTIMSKVEVLEFLSDHTSGQDIRKAMWNTSPNCEVWYDRRRMYTTSLANMSIVGYILGLGDRHPNNIMLQRASGLVVHIDFGDCFEVAMTRDKFPEKVPFRLTRMLRSALDVSGVDGAFRACSETAMCVLREGSHSVLALLEAFIQDPLISWRLINRHGQEPESSNDHKTIEQQVNIANMRNATSTAGAESMCDSVGKRDSGTFSVAKHLCGEEVDVVHQGVFIVKRLSSKLKGQDFISAGTEPLDPRTQVGQLIEEATDVTNVAQSWSGWYPFW 4FDD Chain:A ((24-808)) ------------------------------------------------------------------------------------------------------SPDTTIQRTVQQKLEQLNQ-Y--PDFNNYLIF-VLTKLKS---EDEPTRSLSGLILKNNVKAHFQNFPNGVTDFIKSECLNNIGDSSPLIRATVGILITTIASKGELQ-------NWPDLLPKLCSLLDSEDYNTCEGAFGALQKICEDSAEILDSDVLDRPLNIMIPKFL-QF---FKHSSPKIRSHAVACVNQFIISRTQALML-HIDSFIENLFALAGDEEPEVRKNVCRALVMLLEVRM-DRLLPHMHNIVEYMLQRTQDQDENVALEACEFWLTLAEQPICKDV-LVRHLPKLIPVLVNGMKYSDI-----D--------------IILL-------KG--------------------SDWNLRKCSAAALDVLANVYRDELLPHILPLLKELLFHHEWVVKESGILVLGAIAEGCMQG------MIPYLPELIPHLI-QCLSDKKALVRSITCWTLSRYAHWVVSQPPDTYLKPLMTELLKRILDSNKRVQEAACSAFATLEEEACTELVPYLAYILDTLVFAF-SKYQHKNLLILYDAIGTLADSVGHHLNKPEYIQMLMPPLIQKWNMLKDEDKDLFPLLECLSSVAT---ALQSGFLPYCE----PVYQRCVNLVQKTLAQAMLNNAQPDQYEAPDKDFMIVALDLLSGLAEGLGGNIEQLVARSNILTLMYQCMQD--KMPEVRQSSFALLGDLTKACFQHVKPCI------------------------A-D--FMPILGTNLNPEFIS----VCNNATWAIGEISIQMGIEM-QPYIPMVLHQLVEIINRPNTPKTLLENTAITIGRLGYVCPQEVAPMLQQFIRPWCTSLRNIRDNEEKDSAFR---GICTMISVNPSGVIQDFIFFCDAVASWINPK---------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 4FDD.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 : 3484 -200068 -57.42 -273.32 target 2D structure prediction score : 0.71 Monomeric hydrophicity matching model chain A : 0.55 3D Compatibility (PKB) : -57.42 2D Compatibility (Sec. Struct. Predict.) : 0.71 1D Compatibility (Hydrophobicity) : 0.55 QMean score : 0.428

(partial model without unconserved sides chains): PDB file : Tito_4FDD.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4FDD-query.scw PDB file : Tito_Scwrl_4FDD.pdb: