Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MLHRRFSVQKASLSADMVDTQTFGWPVGFGLSALELEELEDDTHSLDIKPFSTLDYSSISGIDYENNPTQNDPTPHMMDLTHMYSYRTQENYRTHEPIYRPEHSSYSPEENTYRAQQIQNSIKLEPESPPQFAENSVSFSKTPEDPSSSSLNIECRVCGDKASGFHYGVHACEGCKGFFRRTIRLKLVYDHCDLHCRIHKKSRNKCQYCRFQKCLMVGMSHNAIRFGRMPQAEKEKLLAEFSSDVNHMHPESADLRALARHLYESYLKYFPLTKAKARAILSGKTSDNAPFVIHDMKSLVEGEQMINCRYMPLHEHRRSDLGIMHEVELRFFHSYQSRSAEAISEVTEFAKSIPGFINLDLNDQVTLLKYGVIEVMIIMISPLMNKDGTLISYGQIFMTREFLKSLRKPFCEMMEPKFEFSIKFNMLELDDCDMALFLAVIILSGDRPGLLDVKPIEDLQETVLHSLELQLKINHPDSLQLFAKVLQKMTDLRQLVTDHVQLIQMMKETEADWSLHPLLQEIMRDLY |
3R5N Chain:A ((4-274)) | ----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------ESADLRALAKHLYDSYIKSFPLTKAKARAILTGKT--KSPFVIYDMNSLMMGEDKIKF--------SK-------EVAIRIFQGCQFRSVEAVQEITEYAKSIPGFVNLDLNDQVTLLKYGVHEIIYTMLASLMNKDGVLISEGQGFMTREFLKSLRKPFGDFMEPKFEFAVKFNALELDDSDLAIFIAVIILSGDRPGLLNVKPIEDIQDNLLQALELQLKLNHPESSQLFAKLLQKMTDLRQIVTEHVQLLQVIKKT----SLHPLLQEIYKDLY |
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General information:
TITO was launched using:
| RESULT:
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Template: 3R5N.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -203162 for 1999 contacts (-101.6/contact) +
2D Compatibility (PS) -28197 + (NN) -22531 + (LL) 14712
1D Compatibility (HY) -35200 + (ID) 9300
Total energy: -283678.0 ( -141.91 by residue)
QMean score : 0.586
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