Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
| Query sequence | MSEAALTPAFEEPEAPRASPRSRSTLLKRLADVVCLPSSRINAFERSMTADLLVEMLRDANVGEREKVARRLAMLNEMPGVLVRLLLRDELPVARALLVDSEKLSDADLISCLYQATTEHRRLIAQRRGVSEVVADALIEVGEPAVIETLLRNELVKLSHQGVENIVAATRDAQHLIPLLLRRAELRPSHAYVMFWWADSEARRVILQRFAVSREILQDAVGDVFALASAEGWQDPLSRKALQFIERRQRNRAAIAKSPFNSLDEAVAAGEGGFNREIA------EEISYLS-GLKPMTGAKIF-------TDPGGEPLAILCKATGLPRGCVRQLWRGLRRQEVDRTGATDPNLERVLTVY---------------------DAIAVDRAQTVLRYWNWSLTSALTPAL----LKAIRDGDEAAVDEYSAPQRAAMLALSRDFGR--- |
| 4KBL Chain:A ((101-554)) | YRYEVLT---------------AEQILQHMVECIREVNEVIQN-----PATITRILLSHFNWDKEKLMERYFD--GNMPCQICYLNYPNSYFTGL---------------------ECGHKF---CMQCWSEYLTTKIMEEGMGQTISCPAHGCDILVDDNTVMRLITDSKVKLKYQHLITNSFVECNR---LLKWCPAPDCHHVVKVQYPDAKPVRCK-CGRQFCFNCGENWHDPVKCKWLKKWIKKCIAANTKECPKCHVTIEK----DGGCNHMVCRNQNCKAEFCWVCLGPWEPHGSAWYNCNRYNRSRAALQRYLFYCNRYMNHMQSLRFEHKLYAQVKQKMEWIEVQFLKKAVDVLCQCRATLMYTYVFAFYLKKNNQSIIFENNQADLENATEVLSGYLERDISQDSLQDIKQKVQDKYRYCESRRRVLLQHVHEGYEKDLW |
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General information:
TITO was launched using:
| RESULT:
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Template: 4KBL.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -65097 for 2360 contacts (-27.6/contact) +
2D Compatibility (PS) -36796 + (NN) -6158 + (LL) 4448
1D Compatibility (HY) -17600 + (ID) 2400
Total energy: -123603.0 ( -52.37 by residue)
QMean score : 0.243
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