Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MLSVEKLAYTHGDSHYLFDEVTFSLNPGERILISGYSGCGKSTLALLLSGLKESGKGQVLLNGSLIEP----SDVGFLFQNPDLQFCMDTVAHELYFILENLQIEPEQMQDRSEFVLAQ-----VGLK--GFQNRLIYTLSQGEKQRLALATIFLKSPKLIILDEAFANLDQESASQLLQLVLNYQANNQSMLIVIDHLITYYQDIMDHYFWLKKRLTRVDFDYMLNRLNVFELEKKSHNTGDKLLSIKDFQVKLSKNKFISYLDFDLASGERLCLDGPSGVGKSSFFMGLLGLYRTKGKKQFTHRKQIPISFLFQNPLDQFIFSTVYDEIFQVCKDSNKARDILETINLWDKKQFSPFQLSQGQQRRLAIGSILASDSKLLLLDEPTYGQDAYHANMITTLLLSYCHKNHCGVIFTSHDPHLKECFATRFLEVSSCSI |
4HLU Chain:A ((25-215)) | -----------------LENVSLVINEGECLLVAGNTGSGKSTLLQIVAGLIEPTSGDVLYDGERKKGYEIRRNIGIAFQYPEDQFFAERVFDEVAFAVKNF------YPDRDPVPLVKKAMEFVGLDFDSFKDRVPFFLSGGEKRRVAIASVIVHEPDILILDEPLVGLDREGKTDLLRIVEKWKTLGKT-VILISHDIETVINHVDRVVVLEKGKKVFDGTRMEFLEKYDPRFFTSKMLVMRRLVLKGEDPFSMSDDELLERVCN---------------------------------------------------------------------------------------------------------------------------------------------------------------------------- |
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General information:
TITO was launched using:
| RESULT:
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Template: 4HLU.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -130455 for 1350 contacts (-96.6/contact) +
2D Compatibility (PS) -19817 + (NN) -7760 + (LL) 13020
1D Compatibility (HY) -17600 + (ID) 3150
Total energy: -165762.0 ( -122.79 by residue)
QMean score : 0.471
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