Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MEKKIRTVLGDISKESLGFTYSHEHLWCCPPSVQKD------------------------------RDFELTDYESSLEELKTFQSIGGQTLVDASTLDYGRDGNKLKTMSEESGVNVLGVTGFNKHIYFPDWVQEESIEQITDRLIYDIEKGMDGSDARAGILKSGSWYNLIHPLENKVTRAVAWAQKETGAPIWLHTEAGT-MGQEMLAILEEEGVNMELVAVGHSDRN-ADPYYHLKLAEKGAYVQFDGCGKVKY--------YPDSTRVELVKNMLENGFGDKLLISGDMGRKSYLHAYGGGPGFRFIKTKFIPRLLEEGVTEQQIQTIFYDNPANWLAKF |
3K2G Chain:A ((12-354)) | RSGRIMTVDGPIPSSALGHTLMHEHLQNDCRCWWNPPQEPERQYLAEAPISIEILSELRQDPFVNKHNIALDDLDLAIAEVKQFAAVGGRSIVDPTCRGIGRDPVKLRRISAETGVQVVMGAGYYLASSMPETAARLSADDIADEIVAEALEGTDGTDARIGLIGEIGVSSDFTAEEEKSLRGAARAQVRTGLPLMVHLPGWFRLAHRVLDLVEEEGADLRHTVLCHMNPSHMDPVYQATLAQRGAFLEFDMIGMDFFYADQGVQCPSDDEVARAILGLADHGYLDRILLSHDVFVKMMLTRYGG-NGYAFVTKHFLPRLRRHGLDDAALETLMVTNPRRVFDA- |
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General information:
TITO was launched using:
| RESULT:
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Template: 3K2G.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -92058 for 2701 contacts (-34.1/contact) +
2D Compatibility (PS) -32711 + (NN) -13284 + (LL) -40
1D Compatibility (HY) -16000 + (ID) 4500
Total energy: -158593.0 ( -58.72 by residue)
QMean score : 0.506
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