Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | LKRKVGIIGTGHVGSDVAFSLVTQGICDEIVLIDKIETKAESEALELRDMASMTNSYTMITSNDWSALGDADVIVMAVGPETLLREDRMEELVETSRSVAEIVPKIIASGFQGIFVNITNPCDVITMLIQKLSGFDHSRVFGTGTSLDTARMRRVVGEALHINPKSVEGYVLGEHGESQFVAWSTVKIGGVSI----KDYKTTTSLDLPALKDAVRGGGWNILTGKGWTSFGIATAVAGIVDAILTDAKQVFPLAVFSEK----TSTYIGQPALIGANGVIDILEPPLTETEKINFNESAEIIKNAFQLI |
3VKU Chain:D ((10-310)) | --QKVILVGDGAVGSSYAYAMVLQGIAQEIGIVDIFKDKTKGDAIDLEDALPFT-SPKKIYSAEYSDAKDADLVVITAG--------------KNLKILKSIVDPIVDSGFNGIFLVAANPVDILTYATWKLSGFPKNRVVGSGTSLDTARFRQSIAKMVNVDARSVHAYIMGEHGDTEFPVWSHANIGGVTIAEWVKAHPEIKEDKLVKMFEDVRNKAYEIIKLKGATFYGIATALARISKAILNDENAVLPLSVYMDGQYGLNDIYIGTPAVINRNGIQNILEIPLTDHEEESMQKSASQLK------ |
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General information:
TITO was launched using:
| RESULT:
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Template: 3VKU.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -230943 for 2413 contacts (-95.7/contact) +
2D Compatibility (PS) -30033 + (NN) -8330 + (LL) 2236
1D Compatibility (HY) -24000 + (ID) 5750
Total energy: -296820.0 ( -123.01 by residue)
QMean score : 0.597
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