Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | VNDRQAALDQALKQIEKQFGKGSIMKLGEHSDQNISTISSGSLALDIALGVGGYPRGRIIEVYGPESSGKTTVALHAIAEVQAQGGTAAFIDAEHALDPAYAKNLGVNIDELLLSQPDTGEQALEIAEALVRSGAVDMLVIDSVAALVPRAEIEGEMGDAHVGLQARLMSQALRKLSGVINKSKTIAIFINQIREKVGVMFGNPEITPGGRALKFYSTVRLEVRRAEQLKQGTDVMGNKTKIKVVKNKVAPPFRIAEVDIMYGEGISREGELVDMAAEVDVINKSGSWYSYKEERIGQGRENAKQYLKEHTDIRDEISKRVREEYEIDGSSKEPLDEKEETLSLLDDE |
1XMS Chain:A ((9-329)) | --NKQKALAAALGQIEKQFGKGSIMRLGEDRSMDVETISTGSLSLDIALGAGGLPMGRIVEIYGPESSGKTTLTLQVIAAAQREGKTCAFIDAEHALDPIYARKLGVDIDNLLCSQPDTGEQALEICDALARSGAVDVIVVDSVAALTPKAEIE----------AARMMSQAMRKLAGNLKQSNTLLIFINQI----------------GNALKFYASVRLDIRRIGAVKEGENVVGSETRVKVVKNKIAAPFKQAEFQILYGEGINFYGELVDLGVKEKLIEKAGAWYSYKGEKIGQGKANATAWLKDNPETAKEIEKKVRE------------------------- |
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General information:
TITO was launched using:
| RESULT:
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Template: 1XMS.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -118318 for 2416 contacts (-49.0/contact) +
2D Compatibility (PS) -32735 + (NN) -16531 + (LL) 2072
1D Compatibility (HY) -30400 + (ID) 9300
Total energy: -205212.0 ( -84.94 by residue)
QMean score : 0.591
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