Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MLHRRFSVQKASLSADMVDTQTFGWPVGFGLSALELEELEDDTHSLDIKPFSTLDYSSISGIDYENNPTQNDPTPHMMDLTHMYSYRTQENYRTHEPIYRPEHSSYSPEENTYRAQQIQNSIKLEPESPPQFAENSVSFSKTPEDPSSSSLNIECRVCGDKASGFHYGVHACEGCKGFFRRTIRLKLVYDHCDLHCRIHKKSRNKCQYCRFQKCLMVGMSHNAIRFGRMPQAEKEKLLAEFSSDVNHMHPESADLRALARHLYESYLKYFPLTKAKARAILSGKTSDNAPFVIHDMKSLVEGEQMINCRYMPLHEHRRSDLGIMHEVELRFFHSYQSRSAEAISEVTEFAKSIPGFINLDLNDQVTLLKYGVIEVMIIMISPLMNKDGTLISYGQIFMTREFLKSLRKPFCEMMEPKFEFSIKFNMLELDDCDMALFLAVIILSGDRPGLLDVKPIEDLQETVLHSLELQLKINHPDSLQLFAKVLQKMTDLRQLVTDHVQLIQMMKETEADWSLHPLLQEIMRDLY |
3IA6 Chain:B ((1-268)) | ----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------ESADLRALAKHLYDSYIKSFPLTKAKARAILTGKTTDKSPFVIYDMNSLMMGEDKIKFK--------K-------EVAIRIFQGCQFRSVEAVQEITEYAKSIPGFVNLDLNDQVTLLKYGVHEIIYTMLASLMNKDGVLISEGQGFMTREFLKSLRKPFGDFMEPKFEFAVKFNALELDDSDLAIFIAVIILSGDRPGLLNVKPIEDIQDNLLQALELQLKLNHPESSQLFAKLLQKMTDLRQIVTEHVQLLQVIKKTET----HPLLQEIYK--- |
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General information:
TITO was launched using:
| RESULT:
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Template: 3IA6.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -187958 for 1923 contacts (-97.7/contact) +
2D Compatibility (PS) -27854 + (NN) -21317 + (LL) 14908
1D Compatibility (HY) -34000 + (ID) 9150
Total energy: -265371.0 ( -138.00 by residue)
QMean score : 0.554
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