Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
| Query sequence | -----MIERYSREEMSNIWTDQNRYEAWLEVEILACEAWSELG-HIPKADVQKIRQNAKVNVERAQEIEQETRHDVVAFTRQVSETLGEERKWVHYGLTSTDVVDTALSFVIKQANDIIEKDLERFIDVLAEKAKNYKYTLMMGRTHGVHAEPTTFGVKMALWYTEMQRNLQRFKQVREEIEVGKMSGAVGTFANIPP----------EIESYVCKHLGIGTAPVST-QTLQRDRHAYYIATLALIATSLEKFAVEIRNLQKTETREVEEAFAKGQKGSSAMPHKRNPIGSENITGISRVIRGYITTAYE-NVPLWHERDISHSSAERIMLPDVTIALDYALNRFTNIVDRLTVFEDNMRNNIDKTFGLIFSQRVLLALINKGMVREEAYDKVQPKAMISWETKT------PFRELIEQDESITSVLTKEELDECFDPKHHL-----NQVDTIFERAGLA------------- |
| 4NLE Chain:A ((18-485)) | TIPNVLANRYASDEMVAIWSPEAKIIAERRLWLAVLRAQAELGVAVPDGVVEDYERVLENVDLESIAARERVRHDVKARIEEFNA-----HEHVHKGMTSRDLTENVEQLQIRQSLELVFSHGVAVVARLAERAVVYRDLVMAGRSHNVAAQATTLGKRFASAAEETLVALTRLRELIDRYPLRGVKGPMGTAQDMLDLFGGDVGKLADLERRVAEFLGFTEVFTSVGQVYPRSLDHDVLSALVQFGAGPSSMAHTIRLMAGHEL--VTEGFAPGQVGSSAMPHKMNTRSCERVNGLQVVLRGYASMAAELAGAQWNEGDVFCSVVRRVALPDAFFAIDGQTETFLTVLDEFGAYPAVIQRELDRYLPFLATTRILMAAVRAGVGREAAHEVIKEHAVAVALAMREQGREPDLIDRLAGDPRLP--LDKVALEAALEDKQAFTGAAGDQVDGVVAAVGELVSRYPEAAKYTSG |
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General information:
TITO was launched using:
| RESULT:
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Template: 4NLE.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -171850 for 3307 contacts (-52.0/contact) +
2D Compatibility (PS) -44469 + (NN) -7614 + (LL) 632
1D Compatibility (HY) -16400 + (ID) 5600
Total energy: -245301.0 ( -74.18 by residue)
QMean score : 0.479
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