Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | ----MDATP--------------------NAVELTVDNAWFIAETIGAGTFPWVLAITMPYSDAAQRGAFV---DRQRDELTRMG---------LLSPQGVINPAV-------------------------ADWIKVVCFP------DRWLDL----------RYVGPASADGACELLRGIVALRTGTGKTSNKTGNGVVALRNAQLVTFTA-MDIDDPRALVPILGVGLAHRPPARFD---------EFSLPTRVGARADERLRSGVPLGEVVDYLGIPASARPVVESVFSGPRSYVEIVAG--CNRDGRHTTTEVGLSIVDTSAGRVLVSPSRAFDGE---WVSTFSP--GTPFAIAVAIQTLTACLPDGQWFPGQRVSRDFSTQSS----------------------------------------------------- |
3CM8 Chain:A ((12-471)) | IEPFLKTTPRPLRLPDGPPCSQRSKFLLMDALKLSIEIPLYDAIKCMKTFFGWKEPNIVKPHEKGINPNYLLAWKQVLAELQDIENEEKIPKTKNMRKTSQLKWALGENMAPEKVDFEDCKDVSEPKPRSLASWIQSEFNKACELTDSSWIELDEIIASMRRNYFTAEVSHCRATEYIMKGVYINTALLNASCA------AMDDFQLIPMISKCRTKEGRRKTNLYGFIIKGRSHLRNDTDVVNFVSMEFSLTDPRLEPHKWEKYCVLEIGDMLLRTAIGQVSRPMFLYVRTNGTSKIKMKWGMEMRRCLLQSLQQIESMIEAESSVKEKDMTKEFFENKSETWPIGESPKGMEEGSIGKVCRTLLAKSVFNSLYA-SPQLEGFSAESRKLLLIVQALRDNLEPGTFDLGGLYEAIEECLINDPWVLLNASWFNSFLTHALK |
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General information:
TITO was launched using:
| RESULT:
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Template: 3CM8.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -56797 for 1974 contacts (-28.8/contact) +
2D Compatibility (PS) -28833 + (NN) 6375 + (LL) -160
1D Compatibility (HY) -9600 + (ID) 2700
Total energy: -91715.0 ( -46.46 by residue)
QMean score : 0.088
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