Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
| Query sequence | MRKIKLIAVVGPTAVGKTALGIELAKTFNGEIISGDSQQVYQKLDIGTAKASKEEQEQAYHHLIDVREVNENYSVYDFVKEAKVAIDTIISKGKIPIIVGGTGLYLQSLFEGYHLGGEVNQETLKAYREKLESLSDEDLFEKLTEQSIVIPQV----NRRRAIRALELAKFGNDLQNSES--------PYDVLLIGLNDDRQVLYDRINRRVDLMIDNGLLDEAKWLYDNYP-----SVQASRG----IGYKELFPYFSKQIPLEEAVDKLKQNTRRFAKRQLTWFRNRMNVEFIMVGEENYQQKIKRKVSDFLSSK |
| 3EPK Chain:A ((3-289)) | ----KVIVIAGTTGVGKSQLSIQLAQKFNGEVINSDSMQVYKDIPIITNKHPLQEREGIPHHVMNHVDWSEEYYSHRFETECMNAIEDIHRRGKIPIVVGGTHYYLQTLFNKRVDTKSSERKLTRKQLDILESTDPDVIYNTLVKCDPDIATKYHPNDYRRVQRMLEIY-YKTGKKPSETFNEQKITLKFDTLFLWLYSKPEPLFQRLDDRVDDMLERGALQEIKQLYEYYSQNKFTPEQCENGVWQVIGFKEFLPWLT--VKLEDCIERMKTRTRQYAKRQVKWIKKMLIPDIKGDIYLLDATDLSQWDTNASQRA |
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General information:
TITO was launched using:
| RESULT:
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Template: 3EPK.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -95861 for 1904 contacts (-50.3/contact) +
2D Compatibility (PS) -28137 + (NN) -11647 + (LL) 824
1D Compatibility (HY) -16800 + (ID) 4700
Total energy: -156321.0 ( -82.10 by residue)
QMean score : 0.520
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