Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MLHRRFSVQKASLSADMVDTQTFGWPVGFGLSALELEELEDDTHSLDIKPFSTLDYSSISGIDYENNPTQNDPTPHMMDLTHMYSYRTQENYRTHEPIYRPEHSSYSPEENTYRAQQIQNSIKLEPESPPQFAENSVSFSKTPEDPSSSSLNIECRVCGDKASGFHYGVHACEGCKGFFRRTIRLKLVYDHCDLHCRIHKKSRNKCQYCRFQKCLMVGMSHNAIRFGRMPQAEKEKLLAEFSSDVNHMHPESADLRALARHLYESYLKYFPLTKAKARAILSGKTSDNAPFVIHDMKSLVEGEQMINCRYMPLHEHRRSDLGIMHEVELRFFHSYQSRSAEAISEVTEFAKSIPGFINLDLNDQVTLLKYGVIEVMIIMISPLMNKDGTLISYGQIFMTREFLKSLRKPFCEMMEPKFEFSIKFNMLELDDCDMALFLAVIILSGDRPGLLDVKPIEDLQETVLHSLELQLKINHPDSLQLFAKVLQKMTDLRQLVTDHVQLIQMMKETEADWSLHPLLQEIMRDLY |
3X1H Chain:A ((6-273)) | ----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------ESADLRALAKHLYDSYIKSFPLTKAKARAILTGKTTDKSPFVIYDMNSLMMGEDKIK------------------EVAIRIFQGCQFRSVEAVQEITEYAKSIPGFVNLDLNDQVTLLKYGVHEIIYTMLASLMNKDGVLISEGQGFMTREFLKSLRKPFGDFMEPKFEFAVKFNALELDDSDLAIFIAVIILSGDRPGLLNVKPIEDIQDNLLQALELQLKLNHPESSQLFAKLLQKMTDLRQIVTEHVQLLQVIKKTETDMSLHPLLQEIYK--- |
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General information:
TITO was launched using:
| RESULT:
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Template: 3X1H.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -186599 for 1963 contacts (-95.1/contact) +
2D Compatibility (PS) -28286 + (NN) -22173 + (LL) 14936
1D Compatibility (HY) -34400 + (ID) 9300
Total energy: -265822.0 ( -135.42 by residue)
QMean score : 0.561
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