Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MSTIQSETDCYDIIEVLGKGTFGEVAKGWRRSTGEMVAIKILKND-AYRNRIIKNELKLLHCMRGLDPEEAHVIRFLE---FFHDALKFYLVFELLEQNLFEFQKENNFAPLPARHIRTVTLQVLTALARLK--ELAIIHADLKPENIMLVDQTRCPFRVKVIDFGSASIFSEVRYVKEPYIQSRFYRAPEILLGLPFCEKVDVWSLGCVMAELHLGWPLYPGNNEYDQVRYICETQGLPKPHLLHAACKAHHFFKRNPHPDAANPWQLKSSADYLAETKVRPLERRKYMLKSLDQIETVNGGSVASRLTFPDREALAEHADLKSMVELIKRMLTWESHERISPSAALRHPFVSMQQLRSAHETTHYYQLSLRSYRLSLQVEGKPPTPVVAAEDGTPYYCLAEEKEAAGMGSVAGSSPFFREEKAPGMQRAIDQLDDLSLQEAGHGLWGETCTNAVSDMMVPLKAAITGHHVPDSGPEPILAFYSSRLAGRHKARKPPAGSKSDSNFSNLIRLSQVSPEDDRPCRGSSWEEGEHLGASAEPLAILQRDEDGPNIDNMTMEAERPDPELFDPSSCPGEWLSEPDCTLESVRGPRAQGLPPRRSHQHGPPRGATSFLQHVTGHH |
4AZE Chain:A ((54-375)) | --------DRYEIDSLIGKGSFGQVVKAYDRVEQEWVAIKIIKNKKAFLNQA-QIEVRLLELMNKHDTEMKYYIVHLKRHFMFRNHL--CLVFEMLSYNLYDLLRNTNFRGVSLNLTRKFAQQMCTALLFLATPELSIIHCDLKPENILLCNPKRSA--IKIVDFGSSCQLGQRIY---QYIQSRFYRSPEVLLGMPYDLAIDMWSLGCILVEMHTGEPLFSGANEVDQMNKIVEVLGIPPAHILDQAPKARKFFEKLPD----GTWNLKKTKD--GKREYKPPGTRK-----LHNILGVETGGPGGRRAGESGHTVADYLKFK---DLILRMLDYDPKTRIQPYYALQHSFFKK--------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------- |
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General information:
TITO was launched using:
| RESULT:
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Template: 4AZE.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -179962 for 2473 contacts (-72.8/contact) +
2D Compatibility (PS) -33377 + (NN) -15509 + (LL) 14488
1D Compatibility (HY) -31600 + (ID) 6700
Total energy: -252660.0 ( -102.17 by residue)
QMean score : 0.434
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