Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MRLLKFLWWTCVTLICGVLLSFSGAYLYLSPSLPSVEALRNVQLQIPLKVYSEDGKLISEFGEMRRTPIRFADIPQDFIHALLSAEDDNFANHYGVDVKSLMRAAAQLLKSGHIQTGGSTITMQVAKNYFLTNERSFSRKINEILLALQ---IERQLTKDEILELYVNKIYLGNRAYGIEAAAQVYYGKPIKDLSLAEMAMIAGLPKAPSRYNPLVNPTRSTERRNWILERMLKLGFIDQQRYQAAVEEPINASYHVQTPELNAPYIAEMARAEMVGRYGSEAYTEGYKVITTVRSDLQNAASQSVRDGLIDYDQRHGYRGPETRLPGQTRDAWLKHLGQQRSIGGLEPAIVTQVEKSGIMVMTRDGKEEAVTWDSMKWARPFLSNNSMGPMPRQPADVAQAGDQIRVQR-QEDGTLRFVQIPAAQSALISLDPKDGAIRSLVGGFSFEQSNYNRAIQAKRQPGSSFKPFIYSAALDNGFTAASLVNDAPIVFVDEYLDKVWRPKNDTNTFLGPIPLREALYKSRNMVSIRVLQGLGIERAISYITKFGFQRDELPRNFSLALGTATVTPMEIAGAWSVFANGGYKVNPYVIERIESRDGQVLYQANPPRVPVEEQVAADAEDAGNPGDPEHPESAEGEGSIEAQQVAAKAQTTFEPTPAERIIDARTAYIMTSMLQDVIKRGTGRRALALKRTDLAGKTGTTNDSKDGWFSGYNSDYVTSVWVGFDQPETLGRREYGGTVALPIWIRYMGFALKDKPMHTMAEPPGIVSLRIDPVTGRSAAPGTPGAYFEMFKNEDTPPSVNELPPGSFPGSPLPDDEGAPIDLF |
3UDI Chain:A ((19-727)) | ---------------------------------------------KPLQVYTA---------------------------------------------------------------DNQLIAEYGGKLSIPVEYKQIPPNFIHAFLAAEDSSFFQNLSKEDILSLYVNKIFLGKNAYGIAAAAKIYYNKSINELSIAQMAMIAGLPKAPSKYNPVVNPERALERRNWILGRMLQLGYISQAEYQKAVAEPINLNMPNRDLNNIHPYAGEMVRSELVKHFGEQAIDSGYKVYTTINAKRQAIAEKAVQDGLEAYDRRHGWRGAEAHDK---------PLSEFRAYANTYPAQVTKVNSSSFEALMQDGSTVTVQWSGMSWARPYRNANSVGAAPSRASQIVKVKDIVRLRPNEAKTAWSLVQVPKVQGQLIAINPNDGSIEAIVGGYNFYQSKFNRALQGWRQPGSTIKPFLYALALERGMTPYSMVNDSPITIGK------WTPKNSDGRYLGMIPLRRALYLSRNTVSVRLLQTVGIERTRQLFMDFGLQEDQIPRNYTIALGTPQVLPIQMATGYATFANGGYRVQPHFIQRIEDAYGKVIYEAKPEYACIPCIN--------------------------------------AYRQAQRILKSSSAYDMANILRDVIEHGTGKIG----RSDLGGKTGTTNDAKDAWFAGFNGKLVTVTWVGFDQPTTLGRREYGGIAALPIWINFMGQALQGTPAAWVRLE------------------------------------------------------------- |
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General information:
TITO was launched using:
| RESULT:
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Template: 3UDI.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -207884 for 5130 contacts (-40.5/contact) +
2D Compatibility (PS) -64242 + (NN) -30581 + (LL) 12244
1D Compatibility (HY) -51600 + (ID) 14050
Total energy: -356113.0 ( -69.42 by residue)
QMean score : 0.461
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