Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
| Query sequence | MNEIILITGAYGMVGQNTALYFKKNKPDV-TLLTP---------------KKSELYLLDKDNVQAYLKEYKPTGIIHCAGRVGGIVANMNDLSTYMVENLLMGLYLFSSALDLGVKKAINLASSCAYPKYAP-----NPLKESDLLNGSLEPTNEGYALAKLSVMKYCEYVSAEKGVFYKTLVPCNLYGEFDKFEEKIAHMIPGLIARMHTAKLKNEKNFAMWGDGTARREYLNAKDLARFIALAYENIAQMPSVMNVGSGVDYSIEEYYEKVAQVLDYKGVFVKDSSKPVGMQQKLMDISKQK-ALKWELEIPLEQGIKEAYEYYLKLLEV |
| 2C5A Chain:A ((28-342)) | ENLKISITGAGGFIASHIARRLKHE---GHYVIASDWKKNEHMTEDMFCDEFHLVDLRVMENCLKVTE--GVDHVFNLAADMGGMGFIQSNHSVIMYNNTMISFNMIEAARINGIKRFFYASSACIYPEFKQLETTNVSLKESDAW--PAEPQD-AFGLEKLATEELCKHYNKDFGIECRIGRFHNIYGPFGTWKGGREKAPAAFCRKA---QTS-TDRFEMWGDGLQTRSFTFIDECVEGVLRLTKSD--FREPVNIGSDEMVSMNEMAEMVLSFEEKKLPIHHIPG-PEGVRGRNSDNNLIKEKLGWAPNMRLKEGLRITYFWIKEQIEK |
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General information:
TITO was launched using:
| RESULT:
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Template: 2C5A.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -156724 for 2606 contacts (-60.1/contact) +
2D Compatibility (PS) -31028 + (NN) -11071 + (LL) 384
1D Compatibility (HY) -7600 + (ID) 3200
Total energy: -209239.0 ( -80.29 by residue)
QMean score : 0.525
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