Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
| Query sequence | MAKTKSKFICQSCGYESPKWMGKCPGCGAWNTMVEEMIKKAPANRRAAFSHSVQTVQKPSPITSIETSEEPRVKTQLGEFNRVLGGGVVKGSLVLIGGDPGIGKSTLLLQVSAQLSGSSNSVLYISGEESVKQTKLRADRLGINNPSL-----------------------HVLSETDMEYISS----AIQEMNPSFVVVDSIQTVYQSDITSAPGSVSQVRECTAELMKIAKTKGIPIFIVGHVTKEGSIAGPRLLEHMVDTVLYFEGERH--HTFRILRAVKNRFGSTN-EMGIFEMREEGLTEVLNPSEIFLEERSAGSAGSSITASMEGTRPILVEIQALISPTSFGNPRRMATGIDHNRVSLLMAVLEKRVGLLLQNQDAYLKVAGGVKLDEPAIDLAIVISIASSFRDTPPNPADCFIGEVGLTGEVRRVSRIEQRVKEAAKLGFKRMIIPAANLDGWTKPKGIEVIGVANVAEALRTSLGG |
| 2DR3 Chain:A ((3-239)) | ----------------------------------------------------------------------RRVKTGIPGVDEILHGGIPERNVVLLSGGPGTGKTIFSQQFLWNGLKMGEPGIYVALEEHPVQVRQNMAQFGWDVKPYEEKGMFAMVDAFTAGIGKEYEKYIVHDLTDIREFIEVLRQAIRDINAKRVVVDSVTTLYINK-------PAMARSIILQLKRVLAGTGCTSIFVSQVS----GFG-PGVEHGVDGIIRLDLDEIDGELKRSLIVWKMRGTSHSMRRHPFDITDKGIIVYPDKVL-------------------------------------------------------------------------------------------------------------------------------------------------------------------------------- |
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General information:
TITO was launched using:
| RESULT:
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Template: 2DR3.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -112009 for 1634 contacts (-68.5/contact) +
2D Compatibility (PS) -21807 + (NN) -8957 + (LL) 15984
1D Compatibility (HY) -9200 + (ID) 2500
Total energy: -138489.0 ( -84.75 by residue)
QMean score : 0.497
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