Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MDAKTKYKAKKIKAVFFDIDDTLRVKDTGYMPPSILKVFKALKDKGIVVGIASGRARYGVPKEVQDLNADYCVKLNGAYVKDKDKNIIFHRPIPAEYVEQYKKWADTVGIKYGLAGRHEAVLSDRDDLVNDAIDIVYSDLEVNPDFNKEHDIYQMWTFEDKGDSLHLPEPLDEHLRLIRWHDHSSDVVLKGTSKALGVSKVVEHLGLKPENILVFGDELNDLELFDYAGLAVAMGVSHPEAQKKADFITKKVEEDGILYALEELGLIEKELTFPQVDIENTEGPVAVIKTNHGDMTVKLFPDHAPKTVANFIGLA--KQGY-YDGIIFHRIIPDFMIQGGDPT-GTGMGGESIYGESFEDEFSEELYNVRGALSMANAGPNTNGSQFFIVQNTKIPYAKKELERGGWPTPIAELYAGQGGTPHLDRRHSVFGQLVNQSSFEVLDEIAAVETGSQDKPLEDVVILTIEVKE |
1CYN Chain:A ((20-161)) | ----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------GRVIFGLFGKTVPKTVDNFVALATGEKGFGYKNSKFHRVIKDFMIQGGDFTRGDGTGGKSIYGERFPDENFKLKHYGPGWVSMANAGKDTNGSQFFITTVK---------------------------TAWLDGKHVVFGKVL--EGMEVVRKVESTKTDSRDKPLKDVIIADCGKIE |
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General information:
TITO was launched using:
| RESULT:
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Template: 1CYN.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -47330 for 1028 contacts (-46.0/contact) +
2D Compatibility (PS) -14701 + (NN) -8365 + (LL) 20184
1D Compatibility (HY) -11200 + (ID) 3550
Total energy: -64962.0 ( -63.19 by residue)
QMean score : 0.532
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