Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MMSPNGSLKFASQAVAKPYFVFALILFVGQILFGLIMGLQYVVGD------FLFPAIPFNVARMVHTNLLIVWLLFGFMGAAYYLVPEESDCELYSPK----LAWILFWVFAAAGVLTILGYLLVPYAGLARLTGNE--LWPTMGREFLEQPTISKAGIVIVALGFLFNVGMTVLRG-----RKTAISMVLMTGLIGLALLFLFSFY-NPE-NLTRDKFYWWWVVHLWVEGVWELIMGAILAFVLVKITGVDREVIEKWLYVIIAMALISGIIGTGHHYFWIGVPGYWLWLGSVFSALEPLPFFAMVLFAFNTINRRRR--RDYPNRAVALWAMGTTVMAFLGAGVWGFMHTLAPVNYYTHGTQLTAAHGHMAFYGAYAMIVMTIISYAMPRLRGI--GEAMDNRSQVLEMWGFWLMTVAMVFITLFLSAAGVLQV--------WLQRMPADGAAMTFMATQDQLAIFYWLREGAGVVFLIGLVAYLLSFRRGKAAA |
3AYF Chain:A ((301-758)) | -----------SQVKAGKYFVVVSALFFVQTMFGALLAHYYTEPDSFFGINWIYDILPFNIAKGYHLQLAIFWIATAWLGMGIFIAPLVGGQE---PKKQGLLVDLLFW----ALVVLVGGSMIGQWLGVNGYLGNEWFLLGHQGWEYIELGRIWQIILVVGMLLWLFIVFRGVKRGLKRESDKGGLIHLLFYSAIAVPFFYIFAFFIQPDTNFTMADFWRWWIIHLWVEGIFEVFAVVVIGFLLVQLRLVTKKSTVRALYFQFTILLGSGVIGIGHHYYYNGSPEVWIALGAVFSALEVIPLTLLILEAYEQYKMMRDGGANFPYKATFWFLISTAIWNLVGAGVFGFLINLPAVSYFEHGQFLTPAHGHAAMMGVYGMFAIAVLLYS---LRNIVKPEAWNDKWLKFSCWMLNIGLAGMVVITLL--PVGILQMKEAFIHGYWASRSPS-------FLQQDVVQNLLLVRAVPDTIFLIGVVALLVFAIKALFHL |
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General information:
TITO was launched using:
| RESULT:
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Template: 3AYF.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -482250 for 3529 contacts (-136.7/contact) +
2D Compatibility (PS) -44471 + (NN) -21387 + (LL) 2084
1D Compatibility (HY) -51200 + (ID) 7500
Total energy: -604724.0 ( -171.36 by residue)
QMean score : 0.314
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