Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
| Query sequence | MLSVEKLAYTHGDSHYLFDEVTFSLNPGERILISGYSGCGKSTLALLLSGLKESGKGQVLLNGSLIEPSDVGFLFQNPDLQ-FC--------------------MDTVAHELYFILENLQIEPEQMQDRSEFVLAQVGLKGFQNRLIYTLSQGEKQRLALATIFLKSPKLIILDEAFANLDQESASQLLQLVLNYQANNQSMLIVIDHLITYYQDIMDHYFWLKKRLTRVDFDYM-----------LN---RLN------VFELE-KKSHNTGDKLLSIKDFQVKLSK------NKFISYLDFDLASGERLCLDGPSGVGKSSFFMGLLGLYRT-KGKKQFTHRKQIPISFLFQNPLDQFIFSTVYDEIFQVCK----DSNKARDILETINLWDKKQFSPFQLSQGQQRRLAIGSILASDSKLLLLDEPTYGQDAYHANMITTLLLSYCHKNHCGVIFTSHDPHLKECFATRFLEVSSCSI |
| 3J16 Chain:B ((82-543)) | -----HVTHRYSANSFKLHRLP-TPRPGQVLGLVGTNGIGKSTALKILAGKQKPNLGRFDDPPEW--QEIIKYFRG-SELQNYFTKMLEDDIKAIIKPQYVDNIPRAIKGPVQKVGELLKLRMEKSPEDVKRYIKILQLENVLKRDIEKLSGGELQRFAIGMSCVQEADVYMFDEPSSYLDVKQRLNAAQIIRSLLA-PTKYVICVEHDLSVLDYLSDFVCIIYGVPSVY-GVVTLPASVREGINIFLDGHIPAENLRFRTEALQFRIADATEDLQNDSASRAFSYPSLKKTQGDFVLNVEEGEFSDSEILVMMGENGTGKTTLIKLLAGALKPDEGQDIP----KLNVSMKPQKIA-PKFPGTVRQLFFKKIRGQFLNPQFQTDVVKPLRIDDIIDQEVQHLSGGELQRVAIVLALGIPADIYLIDEPSAYLDSEQRIICSKVIRRFILHNKKTAFIVEHDFIMATYLADKVIVFEGIPS |
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General information:
TITO was launched using:
| RESULT:
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Template: 3J16.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -235288 for 3193 contacts (-73.7/contact) +
2D Compatibility (PS) -43213 + (NN) -6141 + (LL) 1040
1D Compatibility (HY) -18400 + (ID) 3500
Total energy: -305502.0 ( -95.68 by residue)
QMean score : 0.352
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