Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MCQTCRVGKRRDAREQIEAKIVELGRRQLLDHGAAGLSLRAIARNLGMVSSAVYRYVSSRDELLTLLLVDAYSDLADTVDRARDDTVADSWSDDVIAIARAVRGWAVTNPARWALLYGSPVPGYHAPPDRTAGVATRVVGAFFDAIAAGIATGDIRLTDDVAPQPMSSDFEKIRQEFGFPGDDRVVTKCFLLWAGVVGAISLEVFGQYGADMLTDPGVVFDAQTRLLVAVLAEH
3PAS Chain:A ((2-191))
---------MRQRDDSKRIAFLEATVREVADHGFSATSVGKIAKAAGLSPATLYIYYEDKEQLLLATFYYVSDQVIDAALDSFSR--GKDLREGLRRQWHTLFRIGLERPELFRYHETFTHSAWM-TPE-IQARNESRAANLLNAVDQGKQSGLIKP-------------------------VPFPLLETFMFRPIYHLVQRCLQGSFE-----GTDEHIELAFNMAWDAVAD-
General information:
TITO was launched using:
RESULT:
Template:
3PAS.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -106322 for 1365 contacts (-77.9/contact) +
2D Compatibility (PS) -20397 + (NN) -5686 + (LL) 2396
1D Compatibility (HY) -4400 + (ID) 1150
Total energy: -135559.0 ( -99.31 by residue)
QMean score : 0.494
(partial model without unconserved sides chains):
PDB file :
Tito_3PAS.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-3PAS-query.scw
PDB file :
Tito_Scwrl_3PAS.pdb
: