Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
| Query sequence | MAVGRNNTIVTKFILLGLSDHPQMKIFLFMLFLGLYLLTLAWNLSLIALIKMDSHLHMPMYFFLSNLSFLDICYVSSTAPKMLSDIITEQKTISFVGCATQYFVFCGMGLTECFLLAAMAYDRYAAICNPLLYTVLISHTLCLKMVVGAYVGGFLSSFIETYSVYQHDFCGPYMINHFFCDLPPVLALS--------CS---DTFTSEVVT----FIVS--VVVGIVSVLVVLISYGYIVAAVVKISSATGRTKAFSTCASHLTAVTL------------FYGSGFFMYMRPSSSYSLNRDKVVSIFYALVIPVVNPIIYSFRNKEIKNAMRKAMERDPGISHGGPFIFMTLG |
| 3CAP Chain:A ((31-317)) | -----------------LAEPWQFSMLAAYMFL-LIMLGFPINFLTLYVTVQHKKLRTPLNYILLNLAVADLFMVFGGFTTTLYTSLHGYFVFGPTGCNLEGFFATLGGEIALWSLVVLAIERYVVVCKPM--------------------SNF--RFGENHAIMGVAFT---WVMALACAAPPLVGWSRYIPEGMQCSCGIDYYTPHEETNNESFVIYMFVVHFIIPLIVIFFCYGQLVFTVKEAAAQQQESATTQKAEKEVTRMVIIMVIAFLICWLPYAGVAFYIFTHQGSDFG-PIFMTIPAFFAKTSAVYNPVIYIMMNKQFRNCMVTTLCCGKN------------- |
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General information:
TITO was launched using:
| RESULT:
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Template: 3CAP.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -195934 for 1828 contacts (-107.2/contact) +
2D Compatibility (PS) -26142 + (NN) -3242 + (LL) 3984
1D Compatibility (HY) -22400 + (ID) 3100
Total energy: -246834.0 ( -135.03 by residue)
QMean score : 0.155
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