Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MGVRNHRLLLLRHGETAWSTLGRHTGGTEVELTDTGRTQAELAGQLLGELELDDPIVICSPRRRTLDTAKLAGLTVNEVTGL-------LAEWDYGSYEGLTTPQIRESEPD----WLVWTHGCP--AGESVAQVNDRADSAVALALEHMSSRDVLFVSHGHFSRAVITRWVQLPLAEGSRFAMPTASIGICGFEHGVRQLAVLGLTGHPQPIAAG
4IJ5 Chain:A ((3-199))
------KLILVRHAESEWNPVGRYQGLLDPDLSERGKKQAKLLAQELSREHLD--VIYSSPLKRTYLTA----LEIAEAKNLEVIKEDRIIEIDHGMWSGMLVEEVMEKYPEDFRRWVEEPHKVEFQGGESLASVYNRVKGFLEEVRKRHWNQTVVVVSHTVPMRAMYCALLGVDLSKFWSFGCDNASYSVIHMEERRNVILKLNITCH-------
General information:
TITO was launched using:
RESULT:
Template:
4IJ5.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -93637 for 1479 contacts (-63.3/contact) +
2D Compatibility (PS) -19667 + (NN) -6567 + (LL) 448
1D Compatibility (HY) -13200 + (ID) 2750
Total energy: -135373.0 ( -91.53 by residue)
QMean score : 0.396
(partial model without unconserved sides chains):
PDB file :
Tito_4IJ5.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-4IJ5-query.scw
PDB file :
Tito_Scwrl_4IJ5.pdb
: