Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
| Query sequence | -----MLERYANEEMKALWNEQTKFETYLEVEKAVVRAWNKLGQIQDSDCEKICLKAAFN--LERIKEIEKTTKHDLIAFTTCVAESLGEESRFFHYGITSSDCIDTAMALLMTKSLKLIQKGVKNLYETLKNRALEHQDTLMVGRSHGVFGEPITFGLVLALFADEIKRHLKALDLTMEFISVGAISGAMGNFAHAPL----------ELEELACGFLGLKTANIS-NQVIQRDRYARLACDLALLASSCEKIAVNIRHLQRSEVYEVEEAFSAGQKGSSAMPHKRNPILSENITGLCRVIRSFTTPMLE-NVALWHERDMSHSSVERFALPDLFITSDFMLSRLNSVIENLVVYPKNMLKNLALSGGLVFSQRVLLELPKKGLSREESYSIVQENAMKIWEVLQQGAFKNADENLFLNALLNDERLKKYLNESEIRACF-DYSYYTKNVGAIFKRVFG------------------ |
| 4NLE Chain:A ((18-485)) | TIPNVLANRYASDEMVAIWSPEAKIIAERRLWLAVLRAQAELGVAVPDGVVEDYERVLENVDLESIAARERVRH----DVKARIEEFNAHEH--VHKGMTSRDLTENVEQLQIRQSLELVFSHGVAVVARLAERAVVYRDLVMAGRSHNVAAQATTLGKRFASAAEETLVALTRLRELIDRYPLRGVKGPMGTAQDMLDLFGGDVGKLADLERRVAEFLGFTEVFTSVGQVYPRSLDHDVLSALVQFGAGPSSMAHTIRLMAGHEL--VTEGFAPGQVGSSAMPHKMNTRSCERVNGLQVVLRGYASMAAELAGAQWNEGDVFCSVVRRVALPDAFFAIDGQTETFLTVLDEFGAYPAVIQRELDRYLPFLATTRILMAAVRAGVGREAAHEVIKEHAVAVALAMRE----QGREPDLIDRLAGDPRLP--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) -232800 for 3341 contacts (-69.7/contact) +
2D Compatibility (PS) -45649 + (NN) -18309 + (LL) 1100
1D Compatibility (HY) -13600 + (ID) 5950
Total energy: -315208.0 ( -94.35 by residue)
QMean score : 0.492
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