Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MKGNAPVLAAVDISKGFRVYRAPHQRMLQAIWGERKKFYSEFWALRNVSFQVFPGEVVGVIGCNGSGKSTLLQILAGTLRPTSGQV------VRPERVA---ALLELGAGFN------MEYTGRENIIFNAMLLGLGEQEISERLDEIIQFADIG-EFIDRPVRTYSSGMFVRLAFSIAAYVDADVLIVDEALAVGDAAFQFKCLNRLEEL--LLKGITILLVSHDIQLIKSYCSRAIYLSKGRVIFDGDCETATELYLRDSIETQRAEVRSGSLIASGEHGNSVIAYGNGQGRFLSIRMGVLDEARDYFDSGERVWVEVLVQFDLPVPEHPKITLTIRDQRGYNLYGINNLLLGKALNVEPDGRLRTRISFDCDLQAGEYALTFRLENSLSESVCELMDKKVNAAIFRVFNSPKCFDAVVNLHGAFEPVPFCCETRATQ |
4MKI Chain:B ((26-226)) | -------------------------------------------ALKDINFSIDDEEFVGIIGHTGSGKSTLIQQLNGLLKPSKGKIYINGIDITDKKVSLKDIRKQVGLVFQYPEYQLFEETVFKDIAFGPSNLGLSEEEVKERVYEAMEIVGISKELADKSPFELSGGQKRRVAIAGILAMRPKILILDEPTAGLDPKGKQEILNKIKEIHDKYKMITI-LVSHNMEDIARIADKIIVMNRGKIELIGTPREVFREAERLEKIGLSVPQITSLARELRKRGVPIPPDVLTIEEAKEHILRYLRGT-------------------------------------------------------------------------------------------------------------------------------------- |
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General information:
TITO was launched using:
| RESULT:
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Template: 4MKI.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -157418 for 1357 contacts (-116.0/contact) +
2D Compatibility (PS) -20557 + (NN) -9679 + (LL) 11348
1D Compatibility (HY) -11200 + (ID) 3150
Total energy: -190656.0 ( -140.50 by residue)
QMean score : 0.564
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