Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
| Query sequence | VNDRQAALDQALKQIEKQFGKGSIMKLGEHSDQNISTISSGSLALDIALGVGGYPRGRIIEVYGPESSGKTTVALHAIAEVQAQGGTAAFIDAEHALDPAYAKNLGVNIDELLLSQPDTGEQALEIAEALVRSGAVDMLVIDSVAALVPRAEIEGEMGDAHVGLQARLMSQALRKLSGVINKSKTIAIFINQIREKVGVMFGNPEITPGGRALKFYSTVRLEVRRAEQLKQGTDVMGNKTKIKVVKNKVAPPFRIAEVDIMYGEGISREGELVDMAAEVDVINKSGSWYSYKEERIGQGRENAKQYLKEHTDIRDEISKRVREEYEIDGSSKEPLDEKEETLSLLDDE |
| 3CMT Chain:A ((329-713)) | --NKQKALAAALGQIEKQFGKGSIMRLGEDRSMDVETISTGSLSLDIALGAGGLPMGRIVEIYGPESSGKTTLTLQVIAAAQREGKTCAFIDAEHALDPIYARKLGVDIDNLLCSQPDTGEQALEICDALARSGAVDVIVVDSVAALTPKAEIEGEIGDSHMGLAARMMSQAMRKLAGNLKQSNTLLIFINQIRMKIGVMFGNPETTTGGNALKFYASVRLDIRRIGAVKEGENVVGSETRVKVVKNKIAAPFKQAEFQILYGEGINFYGELVDLGVKEKLIEKAGAWYSYKGEKIGQGKANATAWLKDNPETAKEIEKKVRE------------------------- |
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General information:
TITO was launched using:
| RESULT:
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Template: 3CMT.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -125179 for 2524 contacts (-49.6/contact) +
2D Compatibility (PS) -36145 + (NN) -18045 + (LL) 1320
1D Compatibility (HY) -32800 + (ID) 10250
Total energy: -221099.0 ( -87.60 by residue)
QMean score : 0.585
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