Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MRKSSWIIPYIKENRGLFLLVIFLGTLTFASAGALMFTSGHLISKSSLMPESIMAVYISTVGVRAFGIMRSVSRYVERLSSHSLVLRILEKMRVRLYRLLEPQALLLKSRYKTGDILGLLAGDIEHLQNFYLTTMLPAIVSLVLYAGVVIALGAFSIPFAALFVLLIGLLVLVLPWVSLLYARGKNAYLKQGRNSLYQKFTDAVFGISDWKFSGREKTFISNYEKDEADMLRTENKQFHFVNWRDFFSQLVVGFMVIVMVYWSTAESRDGAFSGTLIAAFVLAIMALAEAFVPVSSAISDKSLYQDSLARLDKIEDPALPTFEEETKEIERINTENVVLKAENLTFAYDEKSPEILNGFDFTLQQGEKVAIIGRSGTGKSTFLKLVQGALLPTAGKVTMNDVEVEKLRPQ-IPELTSMLNQKAHLFSTTVLNNIRLGNQDASDEEVYEAAKKVQLHDFIMSMPDGYHTQMSEMGERFSGGERGRIALARILLQNTPIVILDEPTVGLDPITERDLLATIFETLADKSLIWVTHHLVGAEKMDRVLFLEEGKTLMEGPHAELMAE-EPRYKRLYQLDRPIEL |
2FFB Chain:A ((12-244)) | ------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------NIRFRYKPDSPVILDNINLSIKQGEVIGIVGRSGSGKSTLTKLIQRFYIPENGQVLIDGHDLALADPNWLRRQVGVVLQDNVLLNRSIIDNISLANPGMSVEKVIYAAKLAGAHDFISELREGYNTIVGEQGAGLSGGQRQRIAIARALVNNPKILIFDQATSALDYESEHVIMRNMHKICKGRTVIIIAHRLSTVKNADRIIVMEKGKIVEQGKHKELLSEPESLYSYLYQL------ |
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General information:
TITO was launched using:
| RESULT:
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Template: 2FFB.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -117524 for 1800 contacts (-65.3/contact) +
2D Compatibility (PS) -24496 + (NN) -5140 + (LL) 30268
1D Compatibility (HY) -20000 + (ID) 4200
Total energy: -141092.0 ( -78.38 by residue)
QMean score : 0.496
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