Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MNNQTNWIKILSGFASDSKWKIMLSILLSIISVFSGLVPYWAVFKIILMMINNAYTINSIMVYIFIALITYISQVCCFGASTMLSHITAYEILSEIRKKLAQKLMRLPLGVVESKKIGELKNIFVDKVETIELPLAHMIPEVIGNLLLSAAIFLYIMLIDWRMASALLVTIPISIFAFKKVMSGFNETYAEQMKSNNYMNSAIVEFIEGIEVIKTFNQSQSSYKKYKDAVDNYKIHTLNWFKNTWGYMNLGASVLPSTFLGILPVGMYLISINQLNYAEFFLCIVLSLGVVAPIKNFTNYVNHLKSIQYALTEVNQILSLEELVLSTKFKKPQHYE--IAFNNVGFSYNKDKDDLVFKHLSFTVPENNFTAIVGASGSGKSTIAKLISRYWDVTSGEITIGGINIKDIESKQLNDLVGFVGQDNFLLNLTFKENIKLG-NPEATDEAVEKAAKLAQCHEFIEKLPDGYDTNVGTVGDKLSGGEKQRVTIARMILKDAPIIVLDEATAYVDPDNEQKIQEALNVLTQ--DKTLIVIAHRLSTIQHADQIIVLGKQQILEKGSHHLLLKLNGNYKKMWDTHMHTKDWGINTGHN |
1JJ7 Chain:A ((8-251)) | -------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------PLHLEGLVQFQDVSFAYPNRPDVLVLQGLTFTLRPGEVTALVGPNGSGKSTVAALLQNLYQPTGGQLLLDGKPLPQYEHRYLHRQVAAVGQEPQVFGRSLQENIAYGLTQKPTMEEITAAAVKSGAHSFISGLPQGYDTEVDEAGSQLSGGQRQAVALARALIRKPCVLILDDATSALDANSQLQVEQLLYESPERYSRSVLLITQHLSLVEQADHILFLEGGAIREGGTHQQLMEKKGCYWAM----------------- |
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General information:
TITO was launched using:
| RESULT:
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Template: 1JJ7.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -136208 for 1925 contacts (-70.8/contact) +
2D Compatibility (PS) -26227 + (NN) -10813 + (LL) 30228
1D Compatibility (HY) -19600 + (ID) 4100
Total energy: -166720.0 ( -86.61 by residue)
QMean score : 0.526
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