Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MVDTEMPFWSNLNFGMNSMDMSALEDHCQPYDIKPFTTVDFSSINSHYDDILDEKTFLCRNDQSPIDYKYDLKLQECQSSIKLEPPSPPYFSDKPQCSKAFEDTPNSFIAIECRVCGDKASGFHYGVHACEGCKGFFRRTIRLKLIYERCDLNCRIHKKSRNKCQFCRFQKCLAVGMSHNAIRFGRMPQAEKEKLLAEISSDIDQLNPESADQRVLAKHLYDSYVKSFPLTKAKAPGHPDGQSHRQNSRGYTRHELADDGGGSDQGAVRE-PRAEQGGGDSNLPALSVALR----------GGVREITEFAKNIPGFVSLDLNDQVTLLKYGVHEIIFTMLASLMNKDGVLVAEGQGFMTREFLKSLRKPFSDFMEPKFEFAIRFNSLELDDSDLAIFVAVIILSGDRPGLLNVKPIEDIQDSLLQALELQLKLNHPDSAQLFAKLLQKMTDLRQVVTEHVQLLQLIKKTEADMCLHPLLQEIYKDLY |
2Q59 Chain:B ((4-272)) | ----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------ESADLRALAKHLYDSYIKSFPLTKAKARAILTGKT--TDKSPFVIYDMNSLMMGEDKIKFKHI------K--------EVAIRIFQGCQFRSVEAVQEITEYAKSIPGFVNLDLNDQVTLLKYGVHEIIYTMLASLMNKDGVLISEGQGFMTREFLKSLRKPFGDFMEPKFEFAVKFNALELDDSDLAIFIAVIILSGDRPGLLNVKPIEDIQDNLLQALELQLKLNHPESSQLFAKLLQKMTDLRQIVTEHVQLLQVI---------HPLLQEIYKD-- |
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General information:
TITO was launched using:
| RESULT:
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Template: 2Q59.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -118127 for 1765 contacts (-66.9/contact) +
2D Compatibility (PS) -26182 + (NN) -17579 + (LL) 12940
1D Compatibility (HY) -33600 + (ID) 9350
Total energy: -191898.0 ( -108.72 by residue)
QMean score : 0.460
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