Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MPELPEVETVRKGLERLVVNQEIASITIKVPKMVK--TDLNDFMISLPGKTIQQVLRRGKYLLFDFGEMVMVSHLRMEGKYLLFPNKVPDNKHFHLYFKLTNGSTLVYQDVRKFGTFELVRKSSLKDYFTQKKLGPEPTADTFQFEPFSKGLANSKKPIKPLLLDQRLVAGLGNIYVDEVLWAAKIHPQRLANQLTESETSLLHKEIIRILTLGIEKGGSTIRTYKNALGEDGTMQKYLQVYGKTGQPCPRCGCLIKKIKVGGRGTHYCPRCQCL |
3JR4 Chain:A ((1-272)) | -PQLPEVETIRRTLLPLIVGKTIEDVRIFWPNIIRHPRDSEAFAARMIGQTVRGLERRGKFLKFLLDRDALISHLRMEGRYAVASALEPLEPHTHVVFCFTDGSELRYRDVRKFGTMHVYAKEEADRRPPLAELGPEPLSPAFSPAVLAERAVKTKRSVKALLLDQTVVAGFGCIYVDESLFRAGILPGRPAASLSSKEIERLHEEMVATIGEAVMKGGST----------AGTFQHHLYVYGRQGNPCKRCGTPIEKTVVAGRGTHYCPRCQR- |
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General information:
TITO was launched using:
| RESULT:
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Template: 3JR4.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -126595 for 2120 contacts (-59.7/contact) +
2D Compatibility (PS) -27686 + (NN) -13083 + (LL) 948
1D Compatibility (HY) -18000 + (ID) 5700
Total energy: -190116.0 ( -89.68 by residue)
QMean score : 0.500
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