Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MESMKWIWQYVRKYRLLMIGVFILIFIASGISIIYPLLGGKVIDDVVYQNKTNLLIPLLLIMIISTIIRTICRYTYQIMCERIGQNSLFRIREDLYKKLQSLDFDFFNNTRVGDIMARMTGDTDAIRHFVSWVSYNILENVFLFSFAIIIMATIDWKLTLALVIVTPLIAVLTMKMSSKAQPVFYEIRESFSRLNSMVEENISGNRVVKAFAREDFEMKKFHEHNEDFKKRNLDSADVSRTYLPVLDSLAGMLVVITLIFGGYLVIKGQMTLGDLVAFNGFLWMLNGPMRMSGWLINDVQRFIASSFKIQDMMVTDAKIPIHAEKPAPSLQGHVEFKNVSFHFEDDPNTDVLKNISLKASPGQTIAILGETGAGKSTLVNLICRFYDPTSGEILIDGVDARKWHVRELRNHIATVMQDIFLFSDTIEGNIAFGAPDATMEDVRRMARIADADHFIETMPESYDTIVGERGVGLSGGQKQRISLARALLKNPSILILDDTTSAVDMETEVKIQGELKKITENTTTFIIAHRISSVKEADEILILNHGEIIERGTHTSLLAEKGYYFDIYNKQLGTEANVNG |
3NHB Chain:A ((51-292)) | ------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------KGRIEFENVHFSYAD-RET--LQDVSFTVMPGQTLALVGPSGAGKSTILRLLFRFYDISSGCIRIDGQDISQVTQASLRSHIGVVPQDTVLFNDTIADNIRYGRVTAGNDEVEAAAQAAGIHDAIMAFPEGYRTQVGERGLKLSGGEKQRVAIARTILKAPGIILLDEATSALDTSNERAIQASLAKVCANRTTIVVAHRLSTVVNADQILVIKDGCIVERGRHEALLSRGGVYADMWQLQQGQ------ |
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General information:
TITO was launched using:
| RESULT:
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Template: 3NHB.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -150612 for 1940 contacts (-77.6/contact) +
2D Compatibility (PS) -25689 + (NN) -10254 + (LL) 29044
1D Compatibility (HY) -20800 + (ID) 5600
Total energy: -183911.0 ( -94.80 by residue)
QMean score : 0.469
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