Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MDFHIRKATNSDAEAIQHVAITSWHHTYQDLIPGDVQDDFLERFYNVETLHNRI--SATPFAVVEQADKVIGFANFIEL-E-KGKSELAAFYLLPEVTQRGLGTELLEVGMTLFHVP---LPMFVNVEKGNETAIHFYKAKGFVQVEEFTEDF--YGYPLETIRFNLNHHAFEEE
3WR7 Chain:A ((2-167))
-SVKLRPLEREDLRYVHQLDNNASVMRYWFEEPYEAFVEL------SDLYDKHIHDQSERRFVVECDGEKAGLVELVEINHVHRRAE-FQIIISPEYQGKGLATRAAKLAMDYGFTVLNLYKLYLIVDKENEKAIHIYRKLGFSVEGELMHEFFINGQYRNAIRMCIFQHQYLA-
General information:
TITO was launched using:
RESULT:
Template:
3WR7.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -71873 for 1096 contacts (-65.6/contact) +
2D Compatibility (PS) -16410 + (NN) -1493 + (LL) 1012
1D Compatibility (HY) -7200 + (ID) 1650
Total energy: -97614.0 ( -89.06 by residue)
QMean score : 0.363
(partial model without unconserved sides chains):
PDB file :
Tito_3WR7.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-3WR7-query.scw
PDB file :
Tito_Scwrl_3WR7.pdb
: