Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MSDKILSVEHLMMHFGGIKALNDVNLDVERGSITALIGPNGAGKTTVFNCLTGFYKATGGNILLNTQGRTTDVIQVLGEPFQLDDFVKPPQLGSRLYYKMFGGTHLVNRAGLARTFQNIRLFKDMSVVENLLVAQHMFVNRNLLAGILNTPGYRRAESEALDHAFYWLEVV-DLVDCANRLAGEMSYGQQRRLEIARAMCTRPELICLDEPAAGLNPAETHALSNIVRYLRDHHGITVLLIEHDMGMVMNISDHIIVLDHGDVIARGNPEQIRHDEKVIAAYLGADEEELS
1JI0 Chain:A ((3-237))
-SDIVLEVQSLHVYYGAIHAIKGIDLKVPRGQIVTLIGANGAGKTTTLSAIAGLVRAQKGKIIFNGQDI--------------TNK---PA------------HV-INRMGIALVPEGRRIFPELTVYENLMMGAYNRKDKE----------------GIKRDLEWIFSLFPRLKERLKQLGGTLSGGEQQMLAIGRALMSRPKLLMMDEPSLGLAPILVSEVFEVIQKINQ-EGTTILLVEQNALGALKVAHYGYVLETGQIVLEGKASELLDNEMVRKAYL--------
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) -201737 for 1935 contacts (-104.3/contact) +
2D Compatibility (PS) -25174 + (NN) -11638 + (LL) 3404
1D Compatibility (HY) -18400 + (ID) 3600
Total energy: -257145.0 ( -132.89 by residue)
QMean score : 0.406
(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
: