Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
| Query sequence | MAYQSEYALENEMMNQLEQLGYERVTIRDNKQLLDNFRTILNERHADKLEGNPLTDKEFQRLLTMIDGKSIFESARILRDKLPLRRDDESEIYLSFLDKKSWCKNKFQVTNQVSVEDTYKARYDVTILINGLPLVQVELKRRGIDINEAFNQVKRYRKQNYTGLFRYIQMFIISNGVETRYFSNNDSELLKSHMFYWSDKQNNRINTLQSFAESFMRPCQLAKMISRYMIINETDRILMAMRPYQVYAVEALIQQATETGNNGYVWHTTGSGKTLTSFKASQILSQQDDIKKVIFLVDRKDLDSQTEEEFNKFAKGA---VDKTFNTSQLVRQLNDKSLPLIVTTIQKMAKAIQGNAHLLEQYKTNKVVFIIDECHRSQFGDMHRLVKQHF-KNAQYFGFTGTPRFPENSSQDGRTTADIFGRCLHTYLIRDAIHDGNVLGFSVDYINTFKNKALK-AED-NSMVEAIDTEEVWLADKRVELVTRHIINNHDKYTRNRQYSSIFTVQSIHALIKYYETFKRLNKKLEQPLTIAGIFTFKPNEDDRDGEVPYHSREKLEIMISDYNKKFETNFSTDTTNEYFNHISKNVKKGVKDSKIDILIVV-NMFLTGFDSKVLNTLYVDK-NLMYHDLIQAYSRTNRVEKESKPFGKIVNYRDLKKETDDALRVFSQTNDTDTILMRSYEEYKKEFMDAYRELKMIVPTPHMVDDIQDEEELKRFVEAYRLLAKIILRLKAFDEFEFTIDEIGMDEQENEDYKSKYLAVYDQVKRATAEKNKVSILNDIDFEIEMMRNDTINVNYIMNILRQIDLEDKAEQRRNQEQIRRILDHADDPTLRLKRDLIREFIDNVVPSLNKDDDIDQEYVNFESIKKEAEFKGFAGERSIDEQALKTISNDYQYSGVVNPHHLKKMIGDLPLKEKRKARKAIESFVAETTEKYGV |
| 2OCA Chain:A ((110-458)) | --------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------KRIEPHWYQKDAVFEGLV-----NRRRILNLPTSAGRSLIQALLARYYLE-NYEGKILIIVPTTALTTQMADDFVDYRLFSHAMIKKIGGGASKDDKYK-NDAPVVVGTWQTVVKQPK-------EWFSQFGMMMNDECHLATGKSISSIIS-GLNNCMFKFGLSGSLRDGKAN---IMQYVGMFGEIFKPVTTS---------ELKINSIFLRYPDEFTTKLKGKTYQEE--IKIITGLSKRNKWIAKLAIKLA-----QKDENAFVMFKHVSHGKAIFDLIKNE------YDKVYYVSGEVDTET-------------------------------------RN-IMKTLAE---NGKGIIIVASYGVFSTGISVKNLHHVVLAHGVKSKIIVLQTIGRVLRKHG-SKTIATVWDLIDDA--------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------- |
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General information:
TITO was launched using:
| RESULT:
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Template: 2OCA.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -79077 for 2604 contacts (-30.4/contact) +
2D Compatibility (PS) -35902 + (NN) -12715 + (LL) 43932
1D Compatibility (HY) -12400 + (ID) 2550
Total energy: -98712.0 ( -37.91 by residue)
QMean score : 0.318
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