Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MPELPEVETVRKGLERLVVNQEIASITIKVPKMVK--TDLNDFMISLPGKTIQQVLRRGKYLLFDFGEMVMVSHLRMEGKYLLFPNKVPDNKHFHLYFKLTNGSTLVYQDVRKFGTFELVRKSSLKDYFTQKKLGPEPTADTFQFEPFSKGLANSKKPIKPLLLDQRLVAGLGNIYVDEVLWAAKIHPQRLANQLTESETSLLHKEIIRILTLGIEKGGSTIRTYKNALGEDGTMQKYLQVYGKTGQPCPRCGCLIKKIKVGGRGTHYCPRCQCL |
3SAR Chain:A ((1-272)) | -PELPEVETIRRTLLPLIVGKTIEDVRIFWPNIIRHPRDSEAFAARMIGQTVRGLERRGKFLKFLLDRDALISHLRMEGRYAVASALEPLEPHTHVVFCFTDGSELRYRDVRKFGTMHVYAKEEADRRPPLAELGPEPLSPAFSPAVLAERAVKTKRSVKALLLDCTVVAGFGNIYVDESLFRAGILPGRPAASLSSKEIERLHEEMVATIGEAVMK--------------------HLYVYGRQGNPCKRCGTPIEKTVVAGRGTHYCPRCQR- |
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General information:
TITO was launched using:
| RESULT:
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Template: 3SAR.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -126409 for 1972 contacts (-64.1/contact) +
2D Compatibility (PS) -26739 + (NN) -12883 + (LL) 824
1D Compatibility (HY) -17600 + (ID) 5400
Total energy: -188207.0 ( -95.44 by residue)
QMean score : 0.559
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