Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
| Query sequence | MLSVEKLAYTHGDSHY-LFDEVTFSLNPGERILISGYSGCGKSTLALLLSGLKESGKGQVLLNGSLIEPSDV-------GFLFQNPDLQFCMDTVAHELYFILENLQIEPEQMQDRSEFVLAQVGLKGFQNRLIYTLSQGEKQRLALATIFLKSPKLIILDEAFANLDQESASQLLQLVLNYQANNQSMLIVIDHLITYYQDIMDHYFWLKKRLTRVDFDYMLNRLNVFELEKKSHNTGDKLLSIKDFQVKLSKNKFISYLDFDLASGERLCLDGPSGVGKSSFFMGLLGLYRTKGKKQFTHRKQIPISFLFQNPLDQFIFSTVYDEIFQVCKDSNKARDILETINLWDKKQFSPFQLSQGQQRRLAIGSILASDSKLLLLDEPTYGQDAYHANMITTLLLSYCHKNHCGVIFTSHDPHLKECFATRFLEVSSCSI |
| 4HUQ Chain:B ((5-201)) | IISVDHLTYQYDENQAPALTDVSFTVHAGEWLAIVGHNGSGKSTLAKSLDGLLPFTQGSVTVGGITLTPETVWQVREQIGMIFQNPDNQFVGATVEDDVAFGLENRQISRDEMVPRVQAALAQVGMTSFAQREPSSLSGGQKQRVALAGIVAIAPKILILDEATSMLDPQGRIEMLAIVRQLRQQQNLTVISITHDIDEAASADRVLVIDDGRLVDEAVPSQIFERGTQLVEMGLDLPFTEKLKAALRQRGITPPTTYQTAAEMEEWLWQSLS------------------------------------------------------------------------------------------------------------------------------------------------------------------- |
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General information:
TITO was launched using:
| RESULT:
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Template: 4HUQ.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -119739 for 1395 contacts (-85.8/contact) +
2D Compatibility (PS) -20819 + (NN) -15590 + (LL) 10744
1D Compatibility (HY) -10800 + (ID) 3750
Total energy: -159954.0 ( -114.66 by residue)
QMean score : 0.461
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