Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MKAGVAQQRSLLELAKLDAELTRIAHRATHLPQRAAYQQVQAEHNAANDRMAALRIAAEDLDGQVSRFESEIDAVRKRGDRDRSLLTSGATDAKQLADLQHELDSLQRRQASLEDALLEVLERREELQAQQTAESRALQALRADLAAAQQALDEALAEIDQARHQHSSQRDMLTATLDPELAGLYER-QRAGGGPGAGRLQGHRCGACRIEIGRGELAQISAAAEDEVVRCPECGAILLRLEGFEE |
3NA7 Chain:A ((111-232)) | ---------------------------------------------------------------------------------------------REIENLQNEI----KRKS----------EKQEDLK-------KEMLELEKLALELESLVENEVKNIKETQQIIFKKKEDLVEKTEPKIYSFYERIRRWAKNTSIVTIKKQACGGCFIRLNDKIYTEVLTSG--DMITCPYCGRIL-------- |
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General information:
TITO was launched using:
| RESULT:
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Template: 3NA7.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -21043 for 603 contacts (-34.9/contact) +
2D Compatibility (PS) -14203 + (NN) -12439 + (LL) 10476
1D Compatibility (HY) -9200 + (ID) 1250
Total energy: -47659.0 ( -79.04 by residue)
QMean score : 0.465
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