Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
| Query sequence | MDEQPLSRPGAHVKYAVLGATGLLGHHAARAIRAAGHDLVLIHRPSSQIQRLAYLEPECRVAEMLDHAGLERALRGLDGVIFSAGYYPSR---PRRWQEEVASALGQTNPFYAACLQARVPRILYVGSAYAMPRHPQG----LPGHEGLFYDSLPSGKSSYVLCKWALDEQAREQA-RNGLPVVIGIPGMVLGELDIGP-----TTGRVITAIGNG--EMTHYVAG--QRNVIDAAEAGRGLLMALERGRIGERYLLTG-HNLEMADLTRRIAELLGQPAPQPM-SMAMARALATLGRLRYRVSGQLPLLDETAIEVMAGGQFLDGRKAREELGFFSTTALDDTLLRAIDWFRDNGYFNA |
| 2C5A Chain:A ((21-343)) | ---REQYWPSENLKISITGAGGFIASHIARRLKHEGHYVIASDWKKNEHMTEDMFCDEFHLVDLRVMENCLKVTEGVDHVFNLAADMGGMGFIQSNHSVIMYNNTMISFNMIEAARINGIKRFFYASSACIYPEFKQLETTNVSLKESDAW--PAEPQDAFGLEKLATEELCKHYNKDFGIECRIGRFHNIYGPFGTWKGGREKAPAAFCRKAQTSTDRFEMWGDGLQTRSFTFIDECVEGVLRLTKSD-FREPVNIGSDEMVSMNEMAEMVLSFEEKKLPIHHIPGPE----------------------------GVRGRNSDNNLIKEKLGWAPNMRLKEGLRITYFWIKEQIE--- |
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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) -161657 for 2700 contacts (-59.9/contact) +
2D Compatibility (PS) -33165 + (NN) -14385 + (LL) 2984
1D Compatibility (HY) -7600 + (ID) 2350
Total energy: -216173.0 ( -80.06 by residue)
QMean score : 0.449
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