Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MGLCGCIRGKPMTQETVGFAALGIHPNVLAAIVAVGYEEPSPIQAQSIPLILEGHDMIGQAQTGTGKTAAFALPLLSRIDPSRREPQMLVLVPTRELALQVATACETYSKQLPGVGVVAVYGGAPMGPQLKALRQGAQILVATPGRLCDHLRRDEKLLATVQRLVLDEADEMLKLGFMDDLEVIFEALPESRQTVLFSATLPASIRGIAERHLKQPKHVKIAAKTQTVARIEQVHLMVHADQKAGSIQRLLEVEQFDALIAFVRTKQATLDYAELLERQGYRAAALNGDMPQAQRERVIESLKDGSLDIVIATDVAARGLDVPRITHVLNIDMPYDPESYVHRIGRTGRAGREGRALLLVTPRERRMLQVIERVTGQKVGEVRLPDAETVLEARLARLAASLTPLLDSAVEQRGAVRDELCRRLGCDAETLAAALLARLTAGKALDLESVRREQPLTPSAPRERADRGERGERPERSGERRPMAPPSEGRARCRTALGARDGVAAKNLLGAILNEGGLSREDIGRIQIRDTFSLIELPEANLERLLTKLKDTRVAGKALRLRRYRED |
1VEC Chain:B ((14-206)) | ---------------------------LLMGIFEMGWEKPSPIQEESIPIALSGRDILARAKNGTGKSGAYLIPLLERLDLKKDNIQAMVIVPTRELALQVSQICIQVSKHMGGAKVMATTGGTNLRDDIMRLDDTVHVVIATPGRILDLIKKGVAKVDHVQMIVLDEADKLLSQDFVQIMEDIILTLPKNRQILLYSATFPLSVQKFMNSHLEKPYEIN----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------- |
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General information:
TITO was launched using:
| RESULT:
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Template: 1VEC.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -144278 for 1583 contacts (-91.1/contact) +
2D Compatibility (PS) -21031 + (NN) -11567 + (LL) 27848
1D Compatibility (HY) -20400 + (ID) 3900
Total energy: -173328.0 ( -109.49 by residue)
QMean score : 0.579
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