Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
| Query sequence | ------------------MAPGRAVAGLLLLAAAGLGGVAEGPGLAFSEDVLSVFGANLS-LSAAQLQHLLEQMGAASRVGVPEPGQLHFNQCLTAEEIFSLHGFSNATQITSSKFSVICPAVLQQLNFHPCEDRPKHKTRPSHSEVWGYGFLSVTIINLASLLGLILTPLIKKSYFPKILTFFVGLAIGTLFSNAIFQLIPEAFGFDPKVDSYVEKAVAVFGGFYLLFFFERMLKMLLKTYGQNGHTHFGNDNFGPQEKTHQPKALPAINGVTCYANPAVTEANGHIHFDN----VSVVSLQDG-KKEPSSCTCLKGPKLSEIGTIAWMITLCDALHNFIDGLAIGASCTLSLLQGLSTSIAILCEEFPHELGDF---VILLNAGMS-TRQALLFNFLSACSCYVGLAFGILVGNNFAPNIIFALAGGMFLYISLADMFPEMNDMLREKVTGRKTDFTFFMIQNAGMLTGFTAILLITLYAGEIELE-- |
| 4NLE Chain:A ((18-485)) | TIPNVLANRYASDEMVAIWSPEAKIIAERRLWLAVLRAQAE-LGVAVPDGVVEDYERVLENVDLESIAARERVRHDVKARIEEFNAHEHVHKGMTSRDLTENVEQLQIRQSLELVFS-HGVAVVARLAERAVVYRDLVMAGRSHNVAAQATTLGKRFASAAEETLVALTRL--RELIDRYPLRGVKGPMGTA------QDMLDLFGGDVGKLADLERRVAEFLGFTEVF--TSVGQVYPRSLDHDVLSALVQFGAGPSSMAHTIRLMAGHELVTEGFAPGQVGSSAMPHKMNTRSCERVNGLQVVLRGYASMAAELAGAQWNE-GDVFCSVVRRVALPDAFFAIDGQTETFLTVLDEFGAYPAVIQRELDRYLPFLATTRILMAAVRAGVGREAAHEVIKEHAVAVALAMRE---QGREPDLIDRLAGDPRLPLDKVALEAALED--KQAFTGAAGDQVDGVVAAVGELVSR--------YPEAAKYTSG |
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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) -209401 for 3369 contacts (-62.2/contact) +
2D Compatibility (PS) -44315 + (NN) -2378 + (LL) 3024
1D Compatibility (HY) -1200 + (ID) 4100
Total energy: -258370.0 ( -76.69 by residue)
QMean score : 0.188
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