Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
| Query sequence | MRKIKLIAVVGPTAVGKTALGIELAKTFNGEIISGDSQQVYQKLDIGTAKASKEEQEQAYHHLIDVREVNENYSVYDFVKEAKVAIDTIISKGKIPIIVGGTGLYLQSLFEGYHLGGEVNQETLKAYREKLESLSDEDLFEKLTEQSIVIPQVNRRRAIRALELAKFGNDLQNSES-PYDVLLIGLNDD-RQVLYDRINRRVDLMIDNGLLDEAKWLY---DNYPSVQASRGIGYKELFPYFSKQIPLEEAVDKLKQNTRRFAKRQLTWFRNRMNVEFIMVGEENYQQKIKRKVSDFLSSK |
| 3CRQ Chain:A ((8-301)) | ------IFLMGPTAAGKTDLAMALADALPCELISVDSALIYRGMDIGTAKPSRELLARYPHRLIDIRDPAESYSAAEFRADALAAMAKATARGRIPLLVGGTMLYYKALLEG----------------------------------------------------------------LPYTVAQLAIAPEQRQVLHARIAQRFRQMLEQGFIAEVEALHARSDLHAGLPSIRAVGYRQVWDYLDGKLSYAEMTERGIIATRQLAKRQFTWLRSWSHLHWMDSLAGDNLPRALRYLKTVSILA |
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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) -81265 for 1625 contacts (-50.0/contact) +
2D Compatibility (PS) -22226 + (NN) -10993 + (LL) 5588
1D Compatibility (HY) -15200 + (ID) 3850
Total energy: -127946.0 ( -78.74 by residue)
QMean score : 0.494
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