Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
| Query sequence | MAKEILVAYGVDIDAVA--GWLG-SYG------------G---EDSPDDISRGLFAGEVGIPRLLKLFKKYHLPATWFAPGHSIETFPEPMKMIVDAGHEVGAHGYSHENPIAMTAKQEEDVLLKSVELIKDLTGKAPTGYVAPWWEFSNITNELL-LKHGFKYDHSLMHNDFTPYFVRVGDSWSKIDYSLEAKDWMKPLIRGVETNLVEIPANWYLDDLPPMMFIKKSPNSFGFVSPRDIGQMWIDQFDWVYREM--DYAVFSMTIHPDVSARPQVLLMHEKIIEHINQHEGVRWVTFNEIADDFLKRNPRKK |
| 3CL6 Chain:A ((23-303)) | GKARIALSFVLNYEEGGERNILHGDKESEAFLSEMVSAQPLQGERNMSMESLYEYGSRAGVWRILKLFKAFDIPLTIFAVAMAAQRHPDVIRAMVAAGHEICSHGYRWIDYQYMDEAQEREHMLEAIRILTELTGERPLGWYTGRT--GPNTRRLVMEEGGFLYDCDTYDD-DLPYWEPNN---------------------PTGKPHLVIPYTLDTNDMRFTQVQ-------GFNKGDDFFEYLKDAFDVLYAEGAEAPKMLSIGLHCRLIGRPARLAALQRFIEYAKSHEQVWFTRRVDIARHWHATHPYT- |
|
General information:
TITO was launched using:
| RESULT:
|
Template: 3CL6.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
|
3D Compatibility (PKB) -138377 for 2109 contacts (-65.6/contact) +
2D Compatibility (PS) -27298 + (NN) -6929 + (LL) 1668
1D Compatibility (HY) -10000 + (ID) 3250
Total energy: -184186.0 ( -87.33 by residue)
QMean score : 0.498
|
|
|