Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MIDRKLLLQDFDKVALSLKKRNHAMDDELERLREAIAHYKKQLIELEGLQAFQNKVSKEFGIKMAQKMDTSDLKKELENNKIKLNELSKSVGEAEQEMDLKLSI----IPNLVDEKTPLGASEEDNIEIKKILTPRNFTFKPKEHFELAQQNGWIDFESGV-KLAKSRFSVIRGFGAKIYRALIHLMLDFNEKNGFEIIYTPALVNEKMLFGTGQLPKFKEDVFKIENENLYLIPTAEVTLTNLYNDTIISVENLPIKMTAHTPCFRSEAGSAGKDTRGMIRQHQFDKVELVAITHP--KESDAMQEHMLESASEILKALELPHRFVQLCSGDLGFSASNTIDIEVWLPGQNCYREISSVSNTRDFQARRAKIRFKENQ-KNQLVHTLNGSSLAVGRTMVALMENHQQADGSIHIPKALEKYL |
1SES Chain:A ((76-412)) | -----------------------------------------------------------------------------------LGEEAKRLEEALREKEARLEALLLQVPLPPWPGAPVGG-EEANREIKRVGGPPEFSFPPLDHVALMEKNGW--WEPRISQVSGSRSYALKGDLALYELALLRFAMDFMARRGFLPMTLPSYAREKAFLGTGHFPAYRDQVWAIAETDLYLTGTAEVVLNALHSGEILPYEALPLRYAGYAPAFRSEAGSFGKDVRGLMRVHQFHKVEQYVLTEASLEASDRAFQELLENAEEILRLLELPYRLVEVATGDMGPGKWRQVDIEVYLPSEGRYRETHSCSALLDWQARRANLRYRDPEGRVRYAYTLNNTALATPRILAMLLENHQLQDGRVRVPQALIPYM |
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General information:
TITO was launched using:
| RESULT:
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Template: 1SES.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -113800 for 2711 contacts (-42.0/contact) +
2D Compatibility (PS) -35763 + (NN) -16588 + (LL) 7388
1D Compatibility (HY) -21200 + (ID) 6550
Total energy: -186513.0 ( -68.80 by residue)
QMean score : 0.444
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