Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MRKKSVFLRLWSYLTRYKATLFLAIFLKVLSSFMSVLEPFILGLAITELTANLVDMAKGVSGAELNVPYIAGILIIYFFRGVFYELGSYGSNYFMTTVVQKSIRDIRHDLNHKINKVPVSYFDKHQFGDMLGRFTSDVETVSNALQQSFLQIINAFLSIILVVVMVLYLNVPLAMIIIACIPVTYFSAQAILKRSQPYFKEQAKILGELNGFVQEKLTGFNIIKLYGREEASSQEFRDITDNLRHVGFKASFISGIMMPVLNGISDFIYLIIAFVGGLQVIAGTLTIGNMQAFVQYVWQISQPVQTITQLAGVLQSAKSSLERIFEVLDEEEEANQVTEKLSHDLTGQVSFHGVDFHYSPDKPLIRDFNLDVEPGQMIAIVGPTGAGKTTLINLLMRFYDVSEGAITVDGHDIRHLSRQDFRQQFGMVLQDAWLYEGTIKENLRFGNLEASDEDIVAAAKAANVDHFIRTLPGGYNMVMNQESSNISLGQKQLLTIARALLADPKILILDEATSSVDTRLELLIQKAMKKLMEGRTSFVIAHRLSTIQEADNILVLKDGQIIEQGNHQHLLADKGFYYELYNSQFSNSK |
5DGX Chain:A ((17-253)) | ----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------GNVTIKDLSFAFGEHKVL-SGVSVDIKAGQTVAFVGKSGSGKTTLTSIISRFYTQHEGEILLDGVDTRELTLENLRSHLSIVSQNVHLFDDTVYNNIAFG--EVSEEEVIDALKRANAYEFVQELSDGINTNIGNNGSKLSGGQRQRISIARALLKNAPVLIFDE----------------LESLTKSCTTIVIAHRLSTVENADKIVVMDGGRVVESGKHQELLEQGGLYTRLYQSGLQ--- |
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General information:
TITO was launched using:
| RESULT:
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Template: 5DGX.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -171841 for 1752 contacts (-98.1/contact) +
2D Compatibility (PS) -23817 + (NN) -8798 + (LL) 32164
1D Compatibility (HY) -20000 + (ID) 4400
Total energy: -196692.0 ( -112.27 by residue)
QMean score : 0.589
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