Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MVDTEMPFWSNLNFGMNSMDMSALEDHCQPYDIKPFTTVDFSSINSHYDDILDEKTFLCRNDQSPIDYKYDLKLQECQSSIKLEPPSPPYFSDKPQCSKAFEDTPNSFIAIECRVCGDKASGFHYGVHACEGCKGFFRRTIRLKLIYERCDLNCRIHKKSRNKCQFCRFQKCLAVGMSHNAIRFGRMPQAEKEKLLAEISSDIDQLNPESADQRVLAKHLYDSYVKSFPLTKAKAPGHPDGQSHRQNSRGYTRHELADDGGGSDQGAVREPRAEQGGGDSNLPALSVALR----------GGVREITEFAKNIPGFVSLDLNDQVTLLKYGVHEIIFTMLASLMNKDGVLVAEGQGFMTREFLKSLRKPFSDFMEPKFEFAIRFNSLELDDSDLAIFVAVIILSGDRPGLLNVKPIEDIQDSLLQALELQLKLNHPDSAQLFAKLLQKMTDLRQVVTEHVQLLQLIKKTEADMCLHPLLQEIYKDLY |
3BC5 Chain:A ((22-296)) | ------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------QLNPESADLRALAKHLYDSYIKSFPLTKAKARAILTGKT-----SPFVIYDMNSLMMGEDKIKFKH------K--------EVAIRIFQGCQFRSVEAVQEITEYAKSIPGFVNLDLNDQVTLLKYGVHEIIYTMLASLMNKDGVLISEGQGFMTREFLKSLRKPFGDFMEPKFEFAVKFNALELDDSDLAIFIAVIILSGDRPGLLNVKPIEDIQDNLLQALELQLKLNHPESSQLFAKLLQKMTDLRQIVTEHVQLLQVIKKTE--MSLHPLLQEIYKDLY |
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General information:
TITO was launched using:
| RESULT:
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Template: 3BC5.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -124390 for 1888 contacts (-65.9/contact) +
2D Compatibility (PS) -27041 + (NN) -16331 + (LL) 11884
1D Compatibility (HY) -35200 + (ID) 9900
Total energy: -200978.0 ( -106.45 by residue)
QMean score : 0.519
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