Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MGVRNHRLLLLRHGETAWSTLGRHTGGTEVELTDTGRTQAELAGQLLGELELDDPIVICSPRRRTLDTAKLAGLTVNEVTGLLAEWDYGSYEGLTTPQIRESEPDWLVWTHGCPAGESVAQVNDRADSAVALALEHMSSRDVLFVSHGHFSRAVITRWVQLPLAEGSRFAMPTASIGICGFEHGVRQLAVLGLTGHPQPIAAG
2A6P Chain:A ((9-201))
---RNHRLLLLRHGETAWSTLGRHTGGTEVELTDTGRTQAELAGQLLGELELDDPIVICSPRRRTLDTAKLAGLTVNEVTGLLAEWDYGSYEGLTTPQIRESEPDWLVWTHGCPAGESVAQVNDRADSAVALALEHMSSRDVLFVSHGHFSRAVITRWVQLPLAEGSRFAMPTASIGICGFEHGVRQLAVLGLTGH-------
General information:
TITO was launched using:
RESULT:
Template:
2A6P.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -113652 for 1653 contacts (-68.8/contact) +
2D Compatibility (PS) -20612 + (NN) -6474 + (LL) 388
1D Compatibility (HY) -24800 + (ID) 9650
Total energy: -174800.0 ( -105.75 by residue)
QMean score : 0.576
(partial model without unconserved sides chains):
PDB file :
Tito_2A6P.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-2A6P-query.scw
PDB file :
Tito_Scwrl_2A6P.pdb
: