Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MRKSLVALLLLAASGLAQAQVDLREGHPDRYTVVRGDTLWDISGKFLRQPWKWPELWHANPQIQ---NPHLIYPGDTLSLVYVDGQPRLVLNRGESRGTIKLSPKIRSTPIAEAIPTIPLDKINSFLLANRIVDDEKTFTSAPYIVAGNAERIVSGTGDRIYARGKFADGQPAYGIFRQGKVYIDPKTKEVLGINADDIGGGEVVATEGDVATLALTRTTQEVRLGDRLFPTEERAVNSTFMPGEPSREVKGEIIDVPRGVTQIGQFDVVTLNRGQRDGLAEGNVLAIYKVGETVRDRVTGESVKIPDERAGLLMVFRTYKKLSYALVLMASRPLSVTDRVQNP |
2GU1 Chain:A ((7-59)) | ---------------------------RIHYMVKVGDTLSGIFAQLGVP---YSILQKILSVDLDHLQLDMIQPGEELELMMDDMGQLSRLIYHMSIVEKAIYTRENDGSFSYDFQEISGEWREILFSGEINGSFSVSARRVGLTSSQVANITQVMKDKIDFSRSLRADRFDILVKQQYLGEHNTGNSEIKAISFKLAKGDVSAFLAEDGRFYDRAGNSLERAFNRYPVDKAYRQITSGFNPKRKHPVTGRVVPHNGTDFATPIGAPVYSTGDGKVIVVRKHPYAGNYLVIEHNSVYKTRYLHLDKILVKKGQLVKRGQKIALAGATGRLTGPHLHFEVLVRNR |
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General information:
TITO was launched using:
| RESULT:
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Template: 2GU1.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -9182 for 266 contacts (-34.5/contact) +
2D Compatibility (PS) -5298 + (NN) -1119 + (LL) 2800
1D Compatibility (HY) -2400 + (ID) 650
Total energy: -15849.0 ( -59.58 by residue)
QMean score : 0.291
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