Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
| Query sequence | MIKEGFLIKTPKKLIALLGPSGSGKSALSIELAQELDAEIFSLDSLSIYEDINIASAKPSLKERKNIKHYALDYLNIDEKNNASLFKTLLEDAMRVSSK--EILLIVGGSSFYLKSILEGLSGMPKLSDEEVVKIEREIATLSNPYIFLKSIDPNMAFKIHPNDTYRIHKALEIFYATHTPPSEYFKANPKKPFEHAISLFALSVE-KNALANNIKQRTKSMLDCGLIEEIKALYIKYPKDSQ--PFKAIGVKESVLYLEKRLTLKELEEAIISNTMKLAKRQNTFNKTQFNNLYMGSVGEIRHAILKHSKSDTRER |
| 3CRQ Chain:A ((8-304)) | --------------IFLMGPTAAGKTDLAMALADALPCELISVDSALIYRGMDIGTAKPSRELLARYPHRLIDIRDPAESYSAAEFRADALAAMAKATARGRIPLLVGGTMLYYKALLEG-------------------------------------------------------------------------LPYTVAQLAIAPEQRQVLHARIAQRFRQMLEQGFIAEVEALHARSDLHAGLPSIRAVGYRQVWDYLDGKLSYAEMTERGIIATRQLAKRQFTWLRSWSHLHWMDSLAGDNLPRALRYLKTVSIL |
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General information:
TITO was launched using:
| RESULT:
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Template: 3CRQ.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -77212 for 1648 contacts (-46.9/contact) +
2D Compatibility (PS) -22345 + (NN) -11274 + (LL) 5620
1D Compatibility (HY) -13600 + (ID) 3400
Total energy: -122211.0 ( -74.16 by residue)
QMean score : 0.473
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