Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
| Query sequence | LKKITPKAMCAWIPKREDETHKGDYGRVLIVAGNKQFGGAAIMAAEACVKSGAGLTTVASDSVNRPALQTRIPECMFIDYENITSLSEQISQFDTILIGPGLGLDAYAEEIFRLVLQKS-TEHQQVIIDGDGITIYAKGENPHP--AAKLTFTPHAGEWERLKVLAPDA--VTPTDVA-LAI--DATIVLKGHRTKVYSGESAWQNMYGTPAMATGGMGDTLAGTICGLMAQTEK-PITGTLAAVFLHSYIGEILAKKRYVVLPTEIAEELPTYLKIFSETDEHA |
| 3BGK Chain:A ((36-311)) | --IIDDLLTKKIIKPRPLNSHKGTFGRVLLIGGNYPYGGAIIMAALACVNSGAGLVTVATHKDNITALHSHLPEAMAFDMVEKDRLSEQITAADVVLMGPGLAEDDLAQ-TTFDVVWQAIEPKQTLIIDGSAINLLAKRK-A-IWPTKQIILTPHQKEWERLSGLTIPEQIEAATQTALAHFPKETILVAKSHQTKIYQGQKIGHIQVGGPYQATGGMGDTLAGMIAGFVAQFHTDRFEVAAAAVFLHSYIADQLSKEAYVVLPTRISAEITRVMKEMSE----- |
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General information:
TITO was launched using:
| RESULT:
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Template: 3BGK.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -176610 for 2354 contacts (-75.0/contact) +
2D Compatibility (PS) -28449 + (NN) -9055 + (LL) 576
1D Compatibility (HY) -17600 + (ID) 5700
Total energy: -236838.0 ( -100.61 by residue)
QMean score : 0.603
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