Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MENYSHRFQVNLAGMIDILSNHLYDEKDVYIRELLQNATDA---IRARKKIDSTL---EGKIHASLTGDNNEKTLIIEDNGIGLTEDEVHAFLATIANSSKGEKNF------DGESSNDFIGRFGIGLLSCFIVSDEIVM--ISTSQKDGGTTEWRGKADGTYSVRKIETDTREPGTQVYLRLRAGLEDHPECEDVEYLINTLKKYGASLESNIIVEMNGLEEEINSWTKQFSDKETLSTLSREQIIQYGEYILGTHFQDYFLIENESGRTFGIAYMIPHAVQMNAIRKNTVFLNKMFVTSEANNILPDWSFFAKCVIWTDELQPVASREAFYKNERLTSVASELGVALKKGIETLPEEALMKLLATHYLGFKALASEDAPFLKLIYPYLPVRTLNGEEKLGDIIAKNDVIYYTYSVDDFRQIKDIARSSGMTLINGGYSYDSPILAQLSYFVEGTEFVLIQPEEMTDKLRPMTADEKQAYQPILTEMNSMMAEFDTDVLIKHFEPKDLPIIFIHSTATQELRELERAVEETTSVFSDILESIQKEQEPAPLAHLYLNLDNELIKRLFTSEKTVKELSVIVNVLYIQALLLGHYPLKRKEMVLMNQNMLRILEML |
2IOR Chain:A ((29-203)) | -------FQSEVKQLLHLMIHSLYSNKEIFLRELISNASDAADKLRFRALSNPDLYEGDGELRVRVSFDKDKRTLTISDNGVGMTRDEVIDHLGTIAKS--GTKSFLESLGSDQAKDSQLIGQFGVGFYSAFIVADKVTVRTRAAGEKPENGVFWESAGEGEYTVADITKEDR--GTEITLHLREG--------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------- |
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General information:
TITO was launched using:
| RESULT:
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Template: 2IOR.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -58221 for 1146 contacts (-50.8/contact) +
2D Compatibility (PS) -17263 + (NN) -5530 + (LL) 35212
1D Compatibility (HY) -14000 + (ID) 3000
Total energy: -62802.0 ( -54.80 by residue)
QMean score : 0.447
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