Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MVDTEMPFWSNLNFGMNSMDMSALEDHCQPYDIKPFTTVDFSSINSHYDDILDEKTFLCRNDQSPIDYKYDLKLQECQSSIKLEPPSPPYFSDKPQCSKAFEDTPNSFIAIECRVCGDKASGFHYGVHACEGCKGFFRRTIRLKLIYERCDLNCRIHKKSRNKCQFCRFQKCLAVGMSHNAIRFGRMPQAEKEKLLAEISSDIDQLNPESADQRVLAKHLYDSYVKSFPLTKAKAPGHPDGQSHRQNSRGYTRHELADDGGGSDQGAVREPRAEQGGGDSNLPALSVALR----------GGVREITEFAKNIPGFVSLDLNDQVTLLKYGVHEIIFTMLASLMNKDGVLVAEGQGFMTREFLKSLRKPFSDFMEPKFEFAIRFNSLELDDSDLAIFVAVIILSGDRPGLLNVKPIEDIQDSLLQALELQLKLNHPDSAQLFAKLLQKMTDLRQVVTEHVQLLQLIKKTEADMCLHPLLQEIYKDLY |
3KMG Chain:A ((4-271)) | ------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------ADLRALAKHLYDSYIKSFPLTKAKARAILTGKT--TDKSPFVIYDMNSLMMGEDKIK------EQSK--------EVAIRIFQGCQFRSVEAVQEITEYAKSIPGFVNLDLNDQVTLLKYGVHEIIYTMLASLMNKDGVLISEGQGFMTREFLKSLRKPFGDFMEPKFEFAVKFNALELDDSDLAIFIAVIILSGDRPGLLNVKPIEDIQDNLLQALELQLKLNHPESSQLFAKLLQKMTDLRQIVTEHVQLLQVIKKTET-MSLHPLLQEIYKDL- |
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General information:
TITO was launched using:
| RESULT:
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Template: 3KMG.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -131854 for 1859 contacts (-70.9/contact) +
2D Compatibility (PS) -26918 + (NN) -18319 + (LL) 12316
1D Compatibility (HY) -34000 + (ID) 9650
Total energy: -208425.0 ( -112.12 by residue)
QMean score : 0.516
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