Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MQGLVLQLTRAGFLMLLWVFIWSVLRILKTDIYAPTGAVMMRRGLALRGTLLGARQRRHAARYLVVTEGALTGARITLSE-QPVLIGRADDSTLVLTDDYASTRHARLSMR------GSEWYVEDLGSTNGTYLDRAKVTT--AVRVPIGTPVRIGKTAIELRP
4H87 Chain:A ((17-127))
---------------------------------------------------------ATAPYSLETLKGGTILGTRSLKGTSYCLFGRLSGCDVCLEHPSVSRYHAVLQHRASGPDG-PGFYLYDLGSTHGTFLNKTRIPPRTYCRVHVGHVVRFGGSTRLFI-
General information:
TITO was launched using:
RESULT:
Template:
4H87.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -53439 for 669 contacts (-79.9/contact) +
2D Compatibility (PS) -10260 + (NN) -1403 + (LL) 5456
1D Compatibility (HY) -5600 + (ID) 1400
Total energy: -66646.0 ( -99.62 by residue)
QMean score : 0.533
(partial model without unconserved sides chains):
PDB file :
Tito_4H87.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-4H87-query.scw
PDB file :
Tito_Scwrl_4H87.pdb
: