Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MLIQLDQIGRMKQGKTILKNISWQIAKGDKWILYGLNGAGKTTLLNILNAYEPATTGGVNLFGKMPGKVGYSAETVRQHIGFVSHSLLEKFQEGERVIDVVISGAFKSIGVYQDIDDEVRNEAHHLLKLVGISAKAQQYIGYLSTGEKQRVMIARALMGQPQVLILDEPAAGLDFIARESLLNILDSLSDSYPTLAMIYVTHFIEEITGNFTKILLLKDGESVQQGLIDDILTSENMSRFFQKNVAVQRWNNRFSMAMLE
2IHY Chain:A ((20-278))
MLIQLDQIGRMKQGKTILKKISWQIAKGDKWILYGLNGAGKTTLLNILNAYEPATSGTVNLFGKMP---GYSAETVRQHIGFVSHSLLEKFQEGERVIDVVISGA---------IDDEIRNEAHQLLKLVGMSAKAQQYIGYLSTGEKQRVMIARALMGQPQVLILDEPAAGLDFIARESLLSILDSLSDSYPTLAMIYVTHFIEEITANFSKILLLKDGQSIQQGAVEDILTSENMSRFFQKNVAVQRWNNRFSMAML-
General information:
TITO was launched using:
RESULT:
Template:
2IHY.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -204422 for 1971 contacts (-103.7/contact) +
2D Compatibility (PS) -26468 + (NN) -9235 + (LL) 716
1D Compatibility (HY) -37200 + (ID) 11650
Total energy: -288259.0 ( -146.25 by residue)
QMean score : 0.547
(partial model without unconserved sides chains):
PDB file :
Tito_2IHY.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-2IHY-query.scw
PDB file :
Tito_Scwrl_2IHY.pdb
: