Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MAISWKEMNELQPRVMKLLYNSIEKDRLSHAYLFEGKKGTGKLDAALLLAKSFFCLEG-GAEPCESCRNCKRIESGNHPDLHLVQPDGLSIKKAQ-IQALQEEFSKTGLESHKKLYIISHADQMTANAANSLLKFLEEPNKDTMAVLITEQPQRLLDTIISRCQTLPFQPLQPKAIEDRLIEQDVSPHMARLLANMTNNVAEAVELSRNDEFAESRAKVIKLYEVLHQRKGHAFFFIQDQWMPFFKEKTHQEMGLDMLLLIYRDVLSIQIGNEDKLIYQDLFQSIKQHALQSTQQSVTNQILAVLEAKKRLHSNVNVQGLMEHLVLMLQEG |
1JR3 Chain:C ((21-170)) | -----------QEHVLTALANGLSLGRIHHAYLFSGTRGVGKTSIARLLAKGLNCETGITATPCGVCDNCREIEQGRFVDL--IEIDAASRTKVEDTRDLLDNVQYAPARGRFKVYLIDEVHMLSRHSFNALLKTLEEPPEHVKFLLATTDPQKLPVTILSRC------------------------------------------------------------------------------------------------------------------------------------------------------------------------ |
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General information:
TITO was launched using:
| RESULT:
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Template: 1JR3.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -76539 for 1093 contacts (-70.0/contact) +
2D Compatibility (PS) -15607 + (NN) -8016 + (LL) 16596
1D Compatibility (HY) -8000 + (ID) 2850
Total energy: -94416.0 ( -86.38 by residue)
QMean score : 0.582
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