Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MSDKILSVEHLMMHFGGIKALNDVNLDVERGSITALIGPNGAGKTTVFNCLTGFYKATGGNILLNTQGRTTDVIQVLGEPFQLDDFVKPPQLGSRLYYKMFGGTHLVNRAGLARTFQNIRLFKDMSVVENLLVAQHMFVNRNLLAGILNTPGYRRAESEALDHAFYWLEVV--DLVDCANRLAGEMSYGQQRRLEIARAMCTRPELICLDEPAAGLNPAETHALSNIVRYLRDHHGITVLLIEHDMGMVMNISDHIIVLDHGDVIARGNPEQIRHDEKVIAAYLGADEEELS
1JI0 Chain:A ((2-238))
VSDIVLEVQSLHVYYGAIHAIKGIDLKVPRGQIVTLIGANGAGKTTTLSAIAGLVRAQKGKIIFNGQ-----------------DITNKP-------------AHVINRMGIALVPEGRRIFPELTVYENLMMG-----------------AYNRKDKEGIKRDLEWIFSLFPRLKERLKQLGGTLSGGEQQMLAIGRALMSRPKLLMMDEPSLGLAPILVSEVFEVIQKI-NQEGTTILLVEQNALGALKVAHYGYVLETGQIVLEGKASELLDNEMVRKAYLG-------
General information:
TITO was launched using:
RESULT:
Template:
1JI0.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -202478 for 1929 contacts (-105.0/contact) +
2D Compatibility (PS) -25334 + (NN) -14232 + (LL) 3400
1D Compatibility (HY) -21200 + (ID) 3950
Total energy: -263794.0 ( -136.75 by residue)
QMean score : 0.458
(partial model without unconserved sides chains):
PDB file :
Tito_1JI0.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-1JI0-query.scw
PDB file :
Tito_Scwrl_1JI0.pdb
: