Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MRGTDEKYGLPPQPDSDRMTRRTLPVLGLAHELITPTLRQMADRLDPHMRPVVSYHLGWSDERGRPVNNNCGKAIRPALVFVAAEAAGAD-PHSAIPGAVSVELVHNFSLVHDDLMDRDEHRRHRPTVWALWGDAMALLAGDAMLSLAHEVLLDCDSPHVGAALRAISEATRELIRGQAADTAFESRTDVALDECLKMAEGKTAALMAASAEVGALLAGAPRSVREALVAYGRHIGLAFQLVDDLLGIWGRPEITGKPVYSDLRSRKKTLPVTWTVAHGGSAGRRLAAWLVDETGSQTASDDELAAVAELIECGGGRRWASAEARRHVTQGIDMVARIGIPDRPAAELQDLAHYIVDRQA |
3PKO Chain:A ((16-333)) | ---------------------RQFPQVEPQLTALQDYLLRTVQLDNQPIHHKILAL-----------LKSGGKLLRPGYFYLFSTFGNAATPAQLQAGAAAIEILHVGTLIHDDVIDDSPTRRGVRTIQMTYGQRNAIYAGDFMFTVYFDQVLKSTT--DRSLIQNHIDAMHRILQGELHQMDLNYREDITLDAYLNEIAGKTAELFALSCYQGAQLAGAPQSVIDRTRDIGIAIGCAYQMLDDILDYAGDPKRTQKPVLEDLRSGVYSLPLLLSLSHAPR---DFHKLLKKK---QAMTLEDIKHVQALVAQYDGVGAAKQLAQDYTDRALTLIQQLPVG-SAQQSLEQLTRLLLRRD- |
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General information:
TITO was launched using:
| RESULT:
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Template: 3PKO.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -153733 for 2643 contacts (-58.2/contact) +
2D Compatibility (PS) -34233 + (NN) -16270 + (LL) 492
1D Compatibility (HY) -17200 + (ID) 4100
Total energy: -225044.0 ( -85.15 by residue)
QMean score : 0.423
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