Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
| Query sequence | MRKIKLIAVVGPTAVGKTALGIELAKTFNGEIISGDSQQVYQKLDIGTAKASKEEQEQAYHHLIDVREVNENYSVYDFVKEAKVAIDTIISKGKIPIIVGGTGLYLQSLFEGYHLGGEVNQETLKAYREKLESLSDEDLFEKLTEQSIVIPQV----NRRRAIRALELAKF-------GNDLQNSESPYDVLLIGLNDDRQVLYDRINRRVDLMIDNGLLDEAKWLYDNY---------PSVQASRGIGYKELFPYFSKQIPLEEAVDKLKQNTRRFAKRQLTWFRNRMNVE-------FIMVGEENYQQKIKRKVSDFLSSK----------------------------------------------------------------------------------- |
| 3EPH Chain:A ((1-409)) | --SKKVIVIAGTTGVGKSQLSIQLAQKFNGEVINSDSMQVYKDIPIITNKHPLQEREGIPHHVMNHVDWSEEYYSHRFETECMNAIEDIHRRGKIPIVVGGTHYYLQTLFNKRVDTKSSERKLTRKQLDILESTDPDVIYNTLVKCDPDIATKYHPNDYRRVQRMLEIYYKTGKKPSETFNEQKITLKFDTLFLWLYSKPEPLFQRLDDRVDDMLERGALQEIKQLYEYYSQNKFTPEQCENGVWQVIGFKEFLPWLTV--KLEDCIERMKTRTRQYAKRQVKWIKKMLIPDIKGDIYLLDATDLSQWDTNASQRAIAISNDFISNRPIKQERAPKALEELLSKGETTMKKLDDWTHYTCNVCRNADGKNVVAIGEKYWKIHLGSRRHKSNLKRNTRQADFEKWKI |
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General information:
TITO was launched using:
| RESULT:
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Template: 3EPH.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -109127 for 2217 contacts (-49.2/contact) +
2D Compatibility (PS) -31396 + (NN) -12288 + (LL) 632
1D Compatibility (HY) -14000 + (ID) 4550
Total energy: -170729.0 ( -77.01 by residue)
QMean score : 0.521
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