Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MRKMKKMDADTLTAILAFQRLSGTGKSLLEGAAKDAEAGRYSIIAINPVHEIKVYQHDYYIDGTHQVVADPLKEIELFIEKAREDELELPLDSGAIGYVGYDVIALYEDLGEIPVETRDIPDIRFYVYESFVIMDHQAEELILVQDNCYSGRSEADLDKALESMLTELTTPKKDEHKAVHVPKMSYKSNYTKDEYMGLVKKAKTYIQE---GDFFQIVLSQRLEADFTVKPFDYYRKLRLLNPSPYLYFIDFGDTVLIGSSPE--SLIKTKGRTVITNPIAGTRRRGATKQEDELLASELLSDEKELAEHRMLVDLGRNDIGKIAETGSVHVPVYLTIERYRFLMHLVSVVEGTLKTGLTAIDALRSTLPAGTVSGAPKIRAMERIYEWENVKRGPYAGAVGYLTKNGDSDFALSIRTMVLHNGKAYVQAGAGIVYDSDPESEYLETLQKAKALLEVGE |
3LOG Chain:B ((178-444)) | ------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------RSVDVSDDPSGFRRRVAVAVDEIAAGRYHKVILSRCVEVPFAIDFPLTYRLGRRHNTPVRSFLLQLGGIRALGYSPELVTAVRADG-VVITEPLAGTRALGRGPAIDRLARDDLESNSKEIVEHAISVRSSLEEITDIAEPGSAAVIDFMTVRERGSVQHLGSTIRARLDPSSDRMAALEALFPAVTASGIPKAAGVEAIFRLDECPRGLYSGAVVMLSADGGLDAALTLRAAYQVGGRTWLRAGAGIIEESEPEREFEETCEKLSTL----- |
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General information:
TITO was launched using:
| RESULT:
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Template: 3LOG.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -52901 for 2183 contacts (-24.2/contact) +
2D Compatibility (PS) -29079 + (NN) -18239 + (LL) 14568
1D Compatibility (HY) -8400 + (ID) 4300
Total energy: -98351.0 ( -45.05 by residue)
QMean score : 0.493
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