Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
| Query sequence | MAATIREIAEKTGVSITTISQILNGKGERFSDLTREKVLKTAKEMSYKPNFFAKNMIVSHTNTIGMIVPEVTDPFFSQMVKGAEDYLNKEGYMIMLCNSSNDKEREDLYVEELLHRAVDGLIIAS---PNILLSGVIKRMEEKRS-PYILLDRQRNPRQEGNIAIDD-FKGGYMATEHLIELGHTRIGIIISDTSFYNVHERYEGYLACMKDYQLPVKDSWIVSGDQTMNGGYIATQKLLQE--NLSAIFATNDLMAMGTYRAALEKNLRIPHDLSVIGFDDIELSEYMTPPLTTIRQPIYGIGEIAAELLLKNLQNPTEKLENRLLDISLIKRSSTKSIDNQ |
| 2PUG Chain:A ((2-330)) | ---TIKDVAKRANVSTTTVSHVIN-KTRFVAEETRNAVWAAIKELHYSPSAVARSLKVNHTKSIGLLATSSEAAYFAEIIEAVEKNCFQKGYTLILGNAWNNLEKQRAYLSMMAQKRVDGLLVMCSEYPEPLLA----MLEEYRHIPMVVMDWGEAKADFTDAVIDNAFEGGYMAGRYLIERGHREIGVIPGPLEQNTGAGRLAGFMKAMEEAMIKVPESWIVQGDFEPESGYRAMQQILSQPHRPTAVFCGGDIMAMGALCAADEMGLRVPQDVSLIGYDNVRNARYFTPALTTIHQPKDSLGETAFNMLLDRIVNKREEPQSIEVHPRLIERRSV------ |
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General information:
TITO was launched using:
| RESULT:
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Template: 2PUG.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -170697 for 2690 contacts (-63.5/contact) +
2D Compatibility (PS) -35294 + (NN) -20670 + (LL) 816
1D Compatibility (HY) -22000 + (ID) 5650
Total energy: -253495.0 ( -94.24 by residue)
QMean score : 0.563
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