Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
| Query sequence | --------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------MAEENAQQPSLRGKSRRERVEFARSRDILDVAHELNMELFRDGKNYRWKEHDSMVITPATNQWYWFSQRQGGDVIALVETIKEIGFNQAFEYLNEGTFKEFTVVNQVKEPFSYYLEPYEQLFVEARRYLKENRGLSDDTIDFFYDKGVLAQANAKVGDMIEPVLVFKNLDKNGQVVG------AALQGLVAAPDKYFGRGYLKQIMKNSQPYNGMHVDIGTPNR---LVFAESSIDLMSYYEIHKDSLSDVRLVSLEGLKTGTIGRHLIQLRAEMERRPLSSSWTDEILAQGLDEAVKQGYFKDGKNSHLLTLAVDNDVKGKQLIEELKDKSIPVIDATPPKAEGQSKMDWNAYLQETKATFSTEKYQEKIDHLISDVILGDETYYLWHDDELVNLGAGDSIIQAFHHQLE---DRRYVINQAELYVEESSNDGATGYLSIEGHVLDK--DGISDYLSDQALTDAEKVAFLETLQTELPDIWDEIVNHYDKVFEEVVVKYGLREKHADIIQEQELDLDPLVVPEAKEKSLEMNQETNTGGELFNRNSSFLGEDSPGTAPQPVEPTAQPDFPTNVRLHFTTDDGNMSNKAFRKNMRTLNLYANTMRDSAQWYLSEIADTTMSYVYKTPHEEGVQVLSVHFGKKNWMHLTGVTPV---------YENWVDSLSEQFIDDIANS-KGHFKNLKFALGTPDKLKVLNLLPEIIESDTFVFNDLSSVQKLNNLDLSQALNPEDSDLLLLFRDEGLHQVPASLMRIKGDL----EERLSHIDSGTVLG--VYRERNGQLEQVSVNEEYVKDSGQEMLSILQNKHYEEALDSGQEMVQTDGFSAEDFTKVLDAVYHVGVPDDLARVPEGVLPVWQKYLEVSEENQWDLEQMIDYADKNSLLVKDSAFYKEWKEDMIYKNDYHVRLQFAENWDNGVELPFRTEQLIDYKTFVTGLYEANQAHHQRRQESQLPYTKTEFDIYAPGGQLIKDNVHYAIGDETRPVSQLMGLGYRRLPGYQELAVIDNSILSQLENKELNQEIASEANEHSLNSQEIPKEDNYPREAFTSPKQDIKKGLAQRVEEIVAEDATKILVSSIPQVQENLSVEGNLVGTPQADNRMLYTNLEDFGQDYQLELAVYSPKRVDFLEDVQAPWTLALIRKEKKIGYLAYGSDWAKEFQIEEELEHL-AAQIGDEKVPEGLYKQAEVEAFIASHQGNESLQEPIPTIVAEPFDYTSASAYEISEHAFQKIREYTQSPEDLLEYMDFMSKFPQLSPRNVALIHEQWR--GANAVATYEQWKAMGEALGIKPDDVVQTKATYVNKRTGET-KEVVHQGLSVKTGEKSKITLFRPLMVKMIPVLDENGQQLKNDKGNPKYKKLSEASLQEKALVKDGKLPVRQFQERDSKTGQPRFTTYKVFELSQTTLKPGSYPKAMPNRHFNFNVDKVKTKEVLEGLCDYAEKIGVSLMK--DDAHVLDNAKGAFYSEEQLILINPNNTPGEKIATTIHELAHATLHNPKLEKQYKELPKGQKEFEAEMTSYLLSKHFGLDTSEKAIHYMASWTDNLKALEDKQLADSLKRVHQTVSKMLKQVEKYTNPHQLGRGKEHGLNFPKAPTKGSSR-------------------------------------------------------------------------------------------------------- |
| 3VKG Chain:A ((47-3244)) | EIDSLKETAWSAIIPAFDHAQNLIKIYLKGNAIITDLHSEAIKDRHWKILKKRLNTNWIITELTLGSIWDSDLARNENIYREVITAAQGEIALEEFLKGVREFWTTLELDLVNYQRKCKLVRGWDDLFNKLAEHLNSISAMKMSPYYKVFEEEANHWDDRLNKVRSLLDVWIDVQRRWVYLEGIFINQLLPAESTRFKSINSEFIAILKKVSGAPLILEVLAIERIQQTMERLSDLLGKVQKALGEYLERQRSAFARFYFVGDEDLLEIIGNSKDIIKIQKHFRKMFAGLANLTLDDEKTTIIGMSSAEGETVTFKKPISIANGPKIHEWLTMVESEMKSTLATLLSESLQHFNQVDVNDHSKYSEWVDNYPTQLVLLTSQIVWSTQVDQALGGGTLQQSKIQEQLQSIEQTTQMILNNLADSVLQDLSAQKRKKFEHLITELVHQRDVVRQLQKCKNLTGNKDFDWLYHMRYYYDATQENVLHKLVIHMANATFYYGFEYLGIGERLVQTPLTDRCYLTLTQALESRMGGNPFGPAGTGKTETVKALGSQLGRFVLVFCCDEGFDLQAMSRIFVGLCQCGAWGCFDEFNRLEERILSAVSQQIQTIQVALKENSKEVELLNISLHQDMGIFVTMNPGYAGRSNLPDNLKKLFRSMAMIKPDREMIAQVMLYSQGFKTAEVLAGKIVPLFKLCQEQLSAQSHYDFGLRALKSVLVSAGGIKRKCQPPDAESKTKADQIYCQYEIGVLLNSINDTMIPKLVADDIPLIQSLLLDVFPGSQLQPIQMDQLRKKIQEIAKQRHLVTKQEWVEKILQLHQILNINHGVMMVGPSGGGKTTSWEVYLEAIEQVDNIKSEAHVMDPKAITKDQLFGSLDLTTREWTDGLFTATLRRIIDNVRGESTKRHWIIFDGDVDPEWVENLNSLLDDNKLLTLPNGERLALPNNVRVMFEVQDLKYATLATISRCGMVWFSEEILTTQMIFQNYLDTLSNEPFDPQEKEQQKRNENAIPAGLKVQKECAAIISQYFEPGGLVHKVLEDAGQRPHIMDFTRLRVLNSFFSLMNRSIVNVIEYNQLHSDFPMSPENQSNYITNRLLYSLMWGLGGSMGLVERENFSKFIQTIAITPVPANTIPLLDYSVSIDDANWSLWKNKVEVETHKVASPDVVIPTVDTTRHVDVLHAWLSEHRPLILCGPPGSGKTMTLTSTLRAFPDFEVVSLNFSSATTPELLLKTFDHHCEYKRTPSGETVLRPTQLGKWLVVFCDEINLPSTDKYGTQRVITFIRQMVEKGGFWRTSDHTWIKLDKIQFVGACNPPTDAGRVQLTHRFLRHAPILLVDFPSTSSLTQIYGTFNRALMKLLPNLRSFADNLTDAMVEFYSESQKRFTPDIQAH-----YIYS---PRELSRWDRALLEAIQTMDGCTLEGLVRLWAHEALRLFQDR-------LVETEEKEWTDKKIDEVALKHFPSVN-LDALKRPILYSNWLTPVNRSDLREYVKARLKVFYPLVLF----------NEVLDHILRIDRVFRQPQGHALLIGVSGGGKSVLSRFVAWMNGLSIYTIKYKSSDFDDDLRMLLKRAGCKEEKICFIFDESNVLESSFLERMNTLLAGGEV---PGLFEGEEFTALMHACKETAQRNGLILDSEEELYKYFTSQVRR-------NLH-VVFTMNPASPDFH---------------NSPALFNRCVLDWFG-------EWSPEALFQVGSEFTRNLDLENPQYI-----------APPVFIQEAEILMAIPPSHRDAVVSSLVYIHQTIGEANIRLLKRQGRQNYVTPRHYLDFINQVVLLINEKRDQLEEEQLHLNIGLKKLRDTEAQV-KDLQVSLAQKNRELDVKNEQANQKLKQMVQDQQAAEIKQKDARELQVQLDVRNKEIAVQKVKAYADLPLREEVEQLENAANELKLKQDEIVATITALEKSIATYKEEYATLIRETEQIKTESSKVKNKVDRSIALLDNLNSERGRWEQQSENFNTQMSTVVGDVVLASAFLAYIGFFDQNFRTDLMRKWMIRLDSVGIKF--KSDLSVPSFLSKPEERLNWHANSLPS----DELCIENAIMLKRFNRYPLVIDPS-GQAMEFLMNQYADKKITKTSFMKNLESALRFGCPLLVQDVESFMIFLFTRDPTAHFTPDLCSRVTFVNFTVTPSSLQSQCLHEALKTERPDTHKKRSDLLKIQGEFQVKLRILEKSLLNALSQASGNILDDDSVISTLETLKKETTEIALKVEETETVMQEISEVSAL-YNPMALSCSRVYFAMEELSQFHLYQFSLRAFLDIFYNLLNNN--PNLVDKKDPNERLVYLSKDIFSMTFNRVTRTL----------LNDDKLTFALQLTIISV---KGTSNEIEESEWDFLLKGG-----DNLTSIKETIPQLDSLLSTTQQKWLICLRQQVPSFSKLVDHIQQNSSDWKQFFGKDQVGEPIIP-------ESWIVAQAQLSNQQSTIVSNFRKILLMKAFHSDR---VLQYSHSFVCSVFGEDFLNTLDMANIVEKEVKSSSP------LLLCSVPGYDASSKVDDLALQLHKQYKSFAIGSPEGFELAEKSIYAAAKSGTWVLLKNIHLAPQWLVQLEKKLHSLSPHPSFRLFMTSEIHPALPANLLRMSNVFSYENPPGVKANLLHTFIGIPATRMDKQPAERSRIYF---LLAWFHAIIQERLRYIPL--GWTKFFEFNDADL--RGALDSIDYWVDLYSKGRSNIDPDKIPWIAVRTILGSTIYGGRIDNEFDMRLLYSFLEQLFTPSAFNPDFPLVPSIGLSVPEGTTRAHFMKWIEALPEISTPIWLGLPENAESLLLSNKARKMINDLQKMQSSEED-----SSSSEDKGKAKPLFRCFEREISTGGKLVKKITNDLANLLKWYSVPETISLSVWISDFSKRMQQLSEISESVWLGG-----LLNPEAYITATRQSASQLNGRLHASASFNVKGMALEGAVWNNDQLTPTDILSTPISIATLTWKDPIFNNSSSKLSVPVYLNETRSELLFSIDLPYDQSTSKQNWYQRSVSISSWKSD |
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General information:
TITO was launched using:
| RESULT:
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Template: 3VKG.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) 208176 for 10744 contacts (19.4/contact) +
2D Compatibility (PS) -149672 + (NN) -14099 + (LL) 8932
1D Compatibility (HY) -34800 + (ID) 10550
Total energy: 7987.0 ( 0.74 by residue)
QMean score : 0.157
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