Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MESMKWIWQYVRKYRLLMIGVFILIFIASGISIIYPLLGGKVIDDVVYQNKTNLLIPLLLIMIISTIIRTICRYTYQIMCERIGQNSLFRIREDLYKKLQSLDFDFFNNTRVGDIMARMTGDTDAIRHFVSWVSYNILENVFLFSFAIIIMATIDWKLTLALVIVTPLIAVLTMKMSSKAQPVFYEIRESFSRLNSMVEENISGNRVVKAFAREDFEMKKFHEHNEDFKKRNLDSADVSRTYLPVLDSLAGMLVVITLIFGGYLVIKGQMTLGDLVAFNGFLWMLNGPMRMSGWLINDVQRFIASSFKIQDMMVTDAKIPIHAEKPAPSLQGHVEFKNVSFHFEDDPNTDVLKNISLKASPGQTIAILGETGAGKSTLVNLICRFYDPTSGEILIDGV--DARKWHVRELRNHIATVMQDIFLFSD-TIEGNIAFGAPDATMEDVRRMARIADADHFIET-MPESYDTIVGERGVGLSGGQKQRISLARALLKNPSILILDDTTSAVDMETEVKIQGELKKIT-ENTTTFIIAHRISSVKE-ADEILILNHGEIIERGTHTSLLAEKGYYFDIYNKQLGTEANVNG |
4YMU Chain:J ((15-219)) | -------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------EVLKGVTLKVNKGEVVVIIGPSGSGKSTLLRCINLLEEPTKGEVFIDGVKINNGKVNINKVRQKVGMVFQHFNLFPHLTAIENITL-APVKVKKMNKKEAEELAVDLLAKVGLLDKKD----QYPIKLSGGQKQRLAIARALAMQPEVMLFDEPTSALDPEMVKEVLNVMKQLANEGMTMVVVTHEMGFAREVGDRVIFMDDGVIVEEGT--------------------------- |
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General information:
TITO was launched using:
| RESULT:
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Template: 4YMU.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -89330 for 1538 contacts (-58.1/contact) +
2D Compatibility (PS) -21547 + (NN) -9810 + (LL) 31024
1D Compatibility (HY) -15200 + (ID) 3350
Total energy: -108213.0 ( -70.36 by residue)
QMean score : 0.364
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