Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MSNKYYDSNNIFAQILRGELPCKKVYEDEDVLAFYDKYPDAPVHILVVPKSQYISYDDFIFKASAEEIVGFFKTV-REITYKYNLEKTGYRLVTNCGENGEQVVPHFHMHILGGKRLGKHVNL
1KPA Chain:A ((15-121))
-------GDTIFGKIIRKEIPAKIIFEDDRCLAFHDISPQAPTHFLVIPK-KHISQIS-VAEDDDESLLGHLMIVGKKCAADLGLNK-GYRMVVNEGSDGGQSVYHVHLHVLGGRQMHWPPG-
General information:
TITO was launched using:
RESULT:
Template:
1KPA.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -82714 for 742 contacts (-111.5/contact) +
2D Compatibility (PS) -11602 + (NN) -9113 + (LL) 256
1D Compatibility (HY) -8400 + (ID) 2150
Total energy: -113723.0 ( -153.27 by residue)
QMean score : 0.617
(partial model without unconserved sides chains):
PDB file :
Tito_1KPA.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-1KPA-query.scw
PDB file :
Tito_Scwrl_1KPA.pdb
: