Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
| Query sequence | MKHYQTIIIGAGAAGIGFGSAMQRLG--LTNFLIIEKGHIGESFLRWPRTTQFITPSFTTNGFGFPDLNAVIPDTSPAFSFEKEHLSGVEYARYLQLVAAHYNLPIQNETSVLSIDKRDSLFVIKT----SKGDFSADYLIMATGEFQNPNTIDIKGADL--GMHYG---QVDN----FHIKSDNPFIIIGGNESACDALTHLVYLGNQVELYTDTFGRKESNPDPSISLSPLTKERLKHIQDHKKEYYSISEGKKAIEIKQIGKQYQVTFDDGSTAESFHKPILSTGFLNTCHLIDGIA-LFEYDKNQLPIVTEDDESTIVNNCFLIGPSLRQRDTI------FCYIYKFRQRFVPVINHIAQREGIILDEDTLEFFKENQMYLDNLACCDVNCDC |
| 3CGB Chain:A ((37-354)) | ---MNYVIIGGDAAGMSAAMQIVRNDENA-NVVTLEKGEIYSYAQ--CGLPYVIS--------------------------GAIASTEKLIARNVKTFRDKYGIDAKVRHEVTKVDTEKKIVYAEHTKTKDVFEFSYDRLLIATGV--RPVMPEWEGRDLQGVHLLKTIPDAERILKTLETNKVEDVTIIGGGAIGLEMAETFVELGKKVRMIERNDHIGTI-------YDGDMAEYIYKEADK--HHIEILTNENVKAFKGNE-RVEAVETDKG-TYKADLVLVSVGVKPNTDF--LEGTNIRTNHKGAIEVNAYMQ-TNVQDVYAAGDCATHYHVIKEIHDHIPIGTTANKQGRLAGLNMLDKRRAFKGTLGTGIIKFMNLTLARTGLNEKEAKG |
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General information:
TITO was launched using:
| RESULT:
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Template: 3CGB.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -151325 for 2438 contacts (-62.1/contact) +
2D Compatibility (PS) -31331 + (NN) -4842 + (LL) 1308
1D Compatibility (HY) -4000 + (ID) 2450
Total energy: -192640.0 ( -79.02 by residue)
QMean score : 0.343
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