Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MRFVNTLPLIFGLTAALGSSMALALPSDREQPIRVQADSAELDDKQGVAVYRGDVVVTQGSTKLTGNTVTLKQDKNGDIEVVTSVGKPAYYEQKPAPDKDVTKAYGLTIQYFVTQNRVVLIDQAKVIQEGNTFEGEKIVYDTQRQIVNAGRATGSQVTSPRPRIDMVIQPKKKAQ |
1H2S Chain:B ((5-28)) | -IFVGALTVLFGAIAYGEVTAAAAT------------------------------------------------------------------------------------------------------------------------------------------------------ |
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General information:
TITO was launched using:
| RESULT:
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Template: 1H2S.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -5799 for 86 contacts (-67.4/contact) +
2D Compatibility (PS) -2330 + (NN) 346 + (LL) 9380
1D Compatibility (HY) -400 + (ID) 400
Total energy: 797.0 ( 9.27 by residue)
QMean score : -0.266
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