Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MESMKWIWQYVRKYRLLMIGVFILIFIASGISIIYPLLGGKVIDDVVYQNKTNLLIPLLLIMIISTIIRTICRYTYQIMCERIGQNSLFRIREDLYKKLQSLDFDFFNNTRVGDIMARMTGDTDAIRHFVSWVSYNILENVFLFSFAIIIMATIDWKLTLALVIVTPLIAVLTMKMSSKAQPVFYEIRESFSRLNSMVEENISGNRVVKAFAREDFEMKKFHEHNEDFKKRNLDSADVSRTYLPVLDSLAGMLVVITLIFGGYLVIKGQMTLGDLVAFNGFLWMLNGPMRMSGWLINDVQRFIASSFKIQDMMVTDAKIPIHAEKPAPSLQGHVEFKNVSFHFEDDPNTDVLKNISLKASPGQTIAILGETGAGKSTLVNLICRFYDPTSGEILIDGVDAR-KWHVRELRNHIATVMQDIFLFSD-TIEGNIAFGAPDATMEDVRRMARIADADHFIETMPESYDTIVGER--GVGLSGGQKQRISLARALLKNPSILILDDTTSAVDMETEVKIQGELKKITENTTTF-IIAHRISSVKE-ADEILILNHGEIIERGTHTSLLAEKGYYFDIYNKQLGTEANVNG |
4U00 Chain:A ((19-220)) | --------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------VLKGIHLEVAPGEKLVIIGPSGSGKSTLIRTINRLEDFQEGEVVVDGLSVKDDRALREIRREVGMVFQQFNLFPHMTVLENVTL----APMR-VRRWPREKAEKKALELL-ERVGILDQARKYPAQLSGGQQQRVAIARALAMEPKIMLFDEPTSALDPEMVGEVLDVMRDLAQGGMTMVVVTHEMGFAREVADRVVFMDGGQIVEEG---------------------------- |
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General information:
TITO was launched using:
| RESULT:
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Template: 4U00.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -95545 for 1522 contacts (-62.8/contact) +
2D Compatibility (PS) -21329 + (NN) -7333 + (LL) 30436
1D Compatibility (HY) -16800 + (ID) 3400
Total energy: -113971.0 ( -74.88 by residue)
QMean score : 0.376
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