Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MRILNYTIINLVISKSLLLNMNGIKKGIIHIIGIGGIGMSAIAEILHNSNYKVQGSDAQSNNNVDRLQKLGIEIYIGHNANNIKQAQVVVYSSAIKSDNVELVAARNNNKTILHRSGILAEIMKDKYVIAVSGSSGKTTTTAMIASIFDHSNTDATVIVGGILNSYQNNSKLGKSDILLIEADESDETMLKIPANIAVITSINNDHIDHYGTFDNIKNAFSQFINSADFAILPDSVGINDSESVSIKFGFEGVYPFVIQSPFVVPVHDIGIKKKKSASCSIKASNVKANNIRQHNNSIEFDVLIDGCSIDRSHWIPASCTETTAVLPLSSTQITSLRSRIIKNVVLSNAIGMHKVSNALAAISVAIKLGINDVDIKKGLLEFKGVARRFSLVADIKDVKLIEDYAHHPSEIQATLTAARSITKGKIIGIIEPFRFARIRNFFDEFIRIFMMFDYVILVPVHPPEDKPILGCRIDDIQEALISNGFNNVKIMNDALLISNFISDSTNSGDIVLFIGAGINVARLARETVVFMSGVEI |
1GQY Chain:A ((21-222)) | ----------------------------IHFIGIGGAGMSGIAEILLNEGYQISGSDIADGVVTQRLAQAGAKIYIGHAEEHIEGASVVVVSSAIKDDNPELVTSKQKRIPVIQRAQMLAEIMRFRHGIAVAGTHGKTTTTAMISMIYTQAKLDPTFVNGGLVKSAGKNAHLGASRYLIAEADESDASFLHLQPMVSVVTNMEPD------DFEKMKATYVKFLHNLPFYGLAVMCADDPVLMELVPKVGRQVITYGFSEQADYRIEDYEQTGFQGHYTVICPNNERINVLLNVPGKHNALNATAALAVAKEEGIANEAILEALADFQGAGRRFDQLGEFIRPNGKVRLVDDYGHHPTEVGVTIKAAREGWGDKRIVMIFQPHRYSRTRDLFDDFVQVLSQVDALIMLDVYAAGEAPIVGADSKSLCRSIRNLGKVDPILVSDTSQLGDVLDQIIQDGDLILAQGAGSVSKISRGLAESWKN------------------------------------------------------ |
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General information:
TITO was launched using:
| RESULT:
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Template: 1GQY.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -104330 for 1562 contacts (-66.8/contact) +
2D Compatibility (PS) -21336 + (NN) -10410 + (LL) 5596
1D Compatibility (HY) -18000 + (ID) 4350
Total energy: -152830.0 ( -97.84 by residue)
QMean score : 0.518
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