Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MSSVDSDKLATSIRALAGSRDERIAFVTEGVKQAKELQGKSVQEYEMVVSSLLMCLESFEVVHGTSLDVLCELTVLDILLNLDLSVIQLSQCNSYLRLCLMAVNEIPVAVAAAKTFAQTLSYSMTTDFVRTQIGETLEWISLSDAKSQPRRICGILVLTEVALRIPMVILPRLSEVFDRAWDCLVVHDEEVRSRALCLFTLCAKLLVNRPAAIRAETCDAL--------------MSHLKGNLASKSKGKRIAGLLAFE--PIVINSIGTSNIRYEDLSNLLVPYIMGGGANVNADTRELLFRCLVVLCR------FSAPQFVAHQLKESVRFALDSINRNIQRNTAFEMLSEIIPIVGKTEFAPFVDDTCEVIKTIFEKS---PSPCWKALQCFSIICKECRPSKMETYVESCIENVFVWGLSAELIECMRAIIESSSVQYRAKLEESLLDMISVTLCGLPFRQQIDAPRVSESSTDVSASEYQISVALNALKQFGFS-NSELMGDFLRVSVLPFIDNNSVAVRNAAVYTIVKLLIPPGEKGDLSIARRMCVNTVITRMLVVGLSDPNPVVRQT---ILSAFTEDFYPYLSE---QQYLFRFYSALGDE-SINCRVAATEQLCQMIRYDPSHILPALREEMVVILHFITSTFNMDTVQNGFRLLAAIATRAPQLVVNFTEGICEALAPYFSTLSSRSGILLSFLHCCTAVAAALRKFGSTPFSSKREIALVCELLETLPADRSYHIIRLS-CLRFLSATLAPLMEGASPYVLYPRLFQQLCTVLHRTEESVDIRLEALRCIGVIGALDSHVFQSFNLNEKEKASGMSAVVVDRVTHVKCCRIVLCAVAALLDPESKRSAGAR--EGLLRTGVQTMLNIFEHVPCSKSEIGLVIGPLARVIRQL---PGGRLFATVLFEFCNIIRYGG-------------AVVLNDLNEIYRVF---DNVWEFQVNYRFLAVRMLSFVANFEASGNLHYGQQHSRILPQLFDTLNRADLRADLKYAVLEYIVRHVDSLQPCTEAAVDNLLGAIQNP-ANPLDFVNHCVVTLKEICVKLYVDELVGAIVRCLLACLSVDLARKTRGRDNIALCNNIMGVFCVLIEELQGNFLKYSTYIIQALKNYRITNTEFGVMNNRVATGLRCARSAMSIQQQNAEVAALLKTCESVVMKSMSRMGEVWSYANLNDDNANAGAAEERTMPINEQRLINPMKVVPLTKEEWVKWSDQFAITLLQESPFQVFRCTAVPIGINAAPLVEKSTQFVQDTLQIAFRSMWNYASSALQTAITDFFRQSFRQAMMSTTVPAEVVTMLLGIVEYMDHVGEALFISYNDLSECAWNRGMLAKALFWREAAYRDDPVGTVESLISLYSELHMVDSSVGILNMTSEEQRRSLLQTSLVKLARYTEALQLTQQELELEAAPLEESSTENLSKGCGYKNGSRGWSRMLHYTSNSDLTPSSSKAEESCRDRRVEVNARLMLCLSELGEYDKVLEQWGSMLHNYKDRVTDTDEMHVLFFVSQYAADASIRLQSWDTLEHVLDWLPPDMVLYHVSKAALEVVRGNYDAALVSVTNGRKVLLEDLTSLLHESYARAYEGLVVAQQLTEVEEVIIAKQTQKALSSAAHIPHLCHIWEQRIRMMHATVPTWKQVLGIRGLLISPHEDVKTRIQFTKLCRQEKARQLEKFTLAELLGFANPTLEQLTSRNVNPRVVMQYISYLSETNALGPGSAFGTESDLIKKMIDVHTKAENSAVLARAYTRLGSKVDLIESVQCFKTAIMYDPQWFLAWRKWAEANAQLLQTDKGEETCRNAIEGFIRSIQLGTSDSTLIQDVLKLLTLWSSHCDSDHNLKELRERVFDVPSRVWHLVVPQLVARLDTGSDDSCRLVADVLTNVGYDYPHTLVYPLNLCTMSDSERRNRYSNEVLGKLQERYPVIVLQGRLMIDELIRVSALIYEQWYDKLEAAATAFFGRRSTDEMIRTLLPIHETLTRVPETVVESEFLSKYSKRLTEARDWLRSYSSTRYTGDIQSAWKLYHSVYCNIDKQIKSSDTLQLQFCSPKLFEARNLSIGIPDARPVREESVAKVNRFQKDIIVIASKQRPKRIGIITAEGRLQKFLLKGREDLRLDERVMQLFSLVNILMQSDSRTSKNLGFQIQRYSVTPLKDNVGIIGWVDGCDTLHEVVKHFRERKSIPVELEMRMLDQIITFDNSKAYDYLTIMSKVEVLEFLSDHTSGQDIRKAMWNTSPNCEVWYDRRRMYTTSLANMSIVGYILGLGDRHPNNIMLQRASGLVVHIDFGDCFEVAMTRDKFPEKVPFRLTRMLRSALDVSGVDGAFRACSETAMCVLREGSHSVLALLEAFIQDPLISWRLINRHGQEPESSNDHKTIEQQVNIANMRNATSTAGAESMCDSVGKRDSGTFSVAKHLCGEEVDVVHQGVFIVKRLSSKLKGQDFISAGTEPLDPRTQVGQLIEEATDVTNVAQSWSGWYPFW 3W3W Chain:A ((3-1077)) ----------------------------------------------------------------------------------------------------------ALPEEVNRTLLQIVQAFASDNQIRSVAEKALSEEWITENN---IEYLLTFLAEQAAFSQDTTVAALSAVLFRKLALKAPITHIRKEVLAQIRSSLLKGFLSERADSIRHKLSDAIAECVQDDLPAWPELLQALIESLKSGNPNFRESSFRILTTVPYLITAVD---------INSILPIFQSGFTDASDNVKIAAVTAFVGYFKQLPKSEWSKLGILLPSLLNSLPRFLDD-GKDDALASVFESLIELVELAPK-LFKDMFDQIIQFTDMVIKNKDLEPPARTTALELLTVFSENA-PQMCK-----------------------------SNQNYGQTLVMVTLIMMTEVSIDDD-----DAAEWIESDDTDDEEEVTYDHARQALDRVALKLGGEYLAAPLFQYLQQMITSTEWRERFAAMMALSSA---AEGCADVLIGE----IPKILDMVIPLINDPHPRVQYGCCNVLGQISTDFSPFIQRTAHDRILPALISKLTSECTSRVQTHAAAALVNFSEFASKDILEPYLDSLLTNLLVLLQSNKLYVQEQALTTIAFIAEAAKNKFIKYYDTLMPLLLNVLKV---NSVLKGKCMECATLIGFAVGKEKFHEH--SQELISILVALQNSDALRSYLEQSWSRICRILGDDFVPLLPIVIPPLLITAKATQDVGLIEEEEAANFQQYPDWDVVQVQG--KHIAIHTSVLDDKVSAMELLQSYATLLR-----GQFAVYVKEVMEEIALPSLDFYLHDGVRAAGATLIPILLSCLLAAEELVLLWHKASSKLIGGLMSEPMPEITQVYHNSLVNGIKVMGDNCLSEDQLAAFTKGVSANLTDTYERMQDRDEYNEDFTDEDLLDEINKSIAAVLKTTNG-HYLKNLENIWPMINTFLLE-PILVIFALVVIGDLIQY-EQTASMKNAFIPKVTECLISPDARIRQAASYIIGVCAQYAPSTYADVCIPTLDTLVQIVDGSKLEENRSSTENASAA------IAKILYAYNSNIP--DTYTANWFKTLPTITDKEAASFNYQFLSQVCAQS-----NISAVVDSVIQALNERSLTVISSVKKLLGFLPSSDAMAIFNRYPADIMEKVHKWF----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 3W3W.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 : 4827 -212205 -43.96 -218.32 target 2D structure prediction score : 0.62 Monomeric hydrophicity matching model chain A : 0.57 3D Compatibility (PKB) : -43.96 2D Compatibility (Sec. Struct. Predict.) : 0.62 1D Compatibility (Hydrophobicity) : 0.57 QMean score : 0.383

(partial model without unconserved sides chains): PDB file : Tito_3W3W.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3W3W-query.scw PDB file : Tito_Scwrl_3W3W.pdb: