Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
| Query sequence | MAKEILVAYGVDIDAVAGWLGSYGGEDSPDDISRGLFAGEVGIPRLLKLFKKYHLPATWFAPGHSIETFPEPMKMIVDAGHEVGAHGYSHENPIAMTAKQEEDVLLKSVELIKDLTGKAP----TGYVAPWWEFSNITNELLLKHGFKYDHSLMHNDFTPYFV---RVGDSWSKIDYSLEAKDWMKPLIRGVETNLVEIPANWYLDDLPPMMFIKKSPNSFGFVSPRDIGQMWIDQFDWVYREMDYA--VFSMTIHPDVSARPQVLLMHEKIIEHINQHEGVRWVTFNEIADDFLKRNPRKK |
| 3CL8 Chain:A ((77-288)) | ------------------------------------YGSRAGVWRILKLFKAFDIPLTIFAVAMAAQRHPDVIRAMVAAGHEICSHGYRWIDYQYMDEAQEREHMLEAIRILTELTGERPLGWYTGRTGP-----NTRRLVMEEGGFLYDCDTYDDDL-PYWEPNNPTGKPHLVIPYTLDTND---------------------------MRFTQVQ----GFNKGDDFFEYLKDAFDVLYAEGAEAPKMLSIGLHCRLIGRPARLAALQRFIEYAKSHEQV-WFTRRVDIARHWHATHPYT |
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General information:
TITO was launched using:
| RESULT:
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Template: 3CL8.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -78142 for 1441 contacts (-54.2/contact) +
2D Compatibility (PS) -21250 + (NN) -5165 + (LL) 3764
1D Compatibility (HY) -12000 + (ID) 3350
Total energy: -116143.0 ( -80.60 by residue)
QMean score : 0.406
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