Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MSRSNGSSSRRTFLRLAALLLPAGALLGSLPGVRAAARPRKLYLAGPDVFRADAVAHGEALKALCARYGFEGLYPLDNALPKQ-LAEPREQAAWIYRANIGLIERADAVLANLNFFRGAEPDSGTAFEVGYATALGKPVYGYVDDAGSYAERIRRHAPELIGEDPTRDRDGMTLEEFGLPLNLMLAVPATLVVGDAEQALRQLASRRHG
2KHZ Chain:A ((5-111))
----------------------------------GEQAPCSVYFCGSIRGGREDQALYARIVSRLRRYGKVLTEHVADAELEPLGEEAAGGDQFIHEQDLNWLQQADVVVAEVT-----QPSLGVGYELGRAVALGKPILCLFRPQSGRVLSAMIRGAADGSRFQVWDYAEGEVETMLDRYFEAYLPQKTASSSHPSA-----------
General information:
TITO was launched using:
RESULT:
Template:
2KHZ.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -14585 for 762 contacts (-19.1/contact) +
2D Compatibility (PS) -11024 + (NN) -4790 + (LL) 3020
1D Compatibility (HY) -4400 + (ID) 1200
Total energy: -32979.0 ( -43.28 by residue)
QMean score : 0.198
(partial model without unconserved sides chains):
PDB file :
Tito_2KHZ.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-2KHZ-query.scw
PDB file :
Tito_Scwrl_2KHZ.pdb
: