Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MCQTCRVGKRRDAREQIEAKIVELGRRQLLDHGAAGLSLRAIARNLGMVSSAVYRYVSSRDELLTLLLVDAYSDLADTVDRARDDTVADSWSDDVIAIARAVRGWAVTNPA--RWALLYGSPVPGYHAPPDRTAGVATRVVGAFFDAIAAGIATGDIRLTDDVAPQPMSSDFEKIRQEFGFPGDDRVVTKCFLLWAGVVGAISLEVFGQY--GADMLTDPGVVFDAQTRLLVAVLAEH
3CWR Chain:A ((11-203))
---------PAVPDAVVRESIVGAAQRLLSSGGAAAMTMEGVASEAGIAKKTLYRFASGRADLIGLLVESWIAPIFPGFEAD-----PQDAAAALERIVYDIAQAVLSREAVSLFRMLASDADLRNRFLPAYNANGIERSRRELARWLDQQASAGRLPL------------------------PIPAERVADLLLSAVIAEPLRQITLGLREPLP-AWDIAPRVADAVRLIA------
General information:
TITO was launched using:
RESULT:
Template:
3CWR.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -132040 for 1438 contacts (-91.8/contact) +
2D Compatibility (PS) -19790 + (NN) -3672 + (LL) 2640
1D Compatibility (HY) -4800 + (ID) 1500
Total energy: -159162.0 ( -110.68 by residue)
QMean score : 0.458
(partial model without unconserved sides chains):
PDB file :
Tito_3CWR.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-3CWR-query.scw
PDB file :
Tito_Scwrl_3CWR.pdb
: