Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MGVRNHRLLLLRHGETAWSTLGRHTGGTEVELTDTGRTQAELAGQLLGELELDDPIVICSPRRRTLDTAKLA--GLT-VNEVTGLLAEWDYGSYEGLTTPQIRESEP-DWLVWT-----HGCPAGESVAQVNDRADSAVALALEHMSSRDVLFVSHGHFSRAVITRWVQLPLAEGSRFAMPTASIGICGFEHGVRQLAVLGLTGHPQPIAAG
4IJ5 Chain:A ((1-205))
----MVKLILVRHAESEWNPVGRYQGLLDPDLSERGKKQAKLLAQELSR--EHLDVIYSSPLKRTYLTALEIAEAKNLEVIKEDRIIEIDHGMWSGMLVEEVMEKYPEDFRRWVEEPHKVEFQGGESLASVYNRVKGFLEEVRKRHWNQTVVVVSHTVPMRAMYCALLGVDLSKFWSFGCDNASYSVIHMEERRNVILKLNITCHLGEFYV-
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) -83194 for 1647 contacts (-50.5/contact) +
2D Compatibility (PS) -21152 + (NN) -10087 + (LL) 436
1D Compatibility (HY) -10400 + (ID) 2500
Total energy: -126897.0 ( -77.05 by residue)
QMean score : 0.448
(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
: