Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MCQTCRVGKRRDAREQIEAKIVELGRRQLLDHGAAGLSLRAIARNLGMVSSAVYRYVSSRDELLTLLLVDAYSDLADTVDRARDDTVADSWSDDVIAIARAVRGWAVTNPARWALLYGSPVPGYHAPPDRTAGVATRVVGAFFDAIAAGIATGDIRLTDDVAPQPMSSDFEKIRQEFGFPGDDRVVTKCFLLWAGVVGAISLEVFGQYGADMLTDPGVVFDAQTRLLVAVLAEH
3BJB Chain:A ((17-203))
----------SEEQRARHVRMLEAAIELATEKELARVQMHEVAKRAGVAIGTLYRYFPSKTHLFVAVMVDQIDRM------------GESPQDAVYNVLVRATRGLLRRPALSTAMIQSTSTANVAS----VPDAGKVDRAFRQIMLD--AAG--HP------------------------TEEDLTALRLLVQLWFGVIQSCLNGRVSI---PDAESDIRRACDLLLVNLS--
General information:
TITO was launched using:
RESULT:
Template:
3BJB.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -122428 for 1321 contacts (-92.7/contact) +
2D Compatibility (PS) -18722 + (NN) -6014 + (LL) 2760
1D Compatibility (HY) -6400 + (ID) 1700
Total energy: -152504.0 ( -115.45 by residue)
QMean score : 0.461
(partial model without unconserved sides chains):
PDB file :
Tito_3BJB.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-3BJB-query.scw
PDB file :
Tito_Scwrl_3BJB.pdb
: