Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MSDKILSVEHLMMHFGGIKALNDVNLDVERGSITALIGPNGAGKTTVFNCLTGFYKATGGNILLNTQGRTTDVIQVLGEPFQLDDFVKPPQLGSRLYYKMFGGTHLVNRAGLARTFQNIRLFKDMSVVENLLVAQHMFVNRNLLAGILNTPGYRR---AESEALDHAFYWLEVVDLVDCANRLAGEMSYGQQRRLEIARAMCTRPELICLDEPAAGLNPAETHALSNIVRYLRDHHGITVLLIEHDMGMVMNISDHIIVLDHGDVIARGNPEQ----IRHDEKVIAAYLGADEEELS
1GAJ Chain:A ((6-256))
---EILRTENIVKYFGEFKALDGVSISVNKGDVTLIIGPNGSGKSTLINVITGFLKADEGRVYFENKDITNK------EPAELYHY------------------------GIVRTFQTPQPLKEMTVLENLLIGE-----INPGESPLNSLFYKKWIPKEEEMVEKAFKILEFLKLSHLYDRKAGELSGGQMKLVEIGRALMTNPKMIVMDQPIAGVAPGLAHDIFNHVLELK-AKGITFLIIEHRLDIVLNYIDHLYVMFNGQIIAEGRGEEEIKNVLSDPKVVEIYIG-------
General information:
TITO was launched using:
RESULT:
Template:
1GAJ.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -192497 for 1992 contacts (-96.6/contact) +
2D Compatibility (PS) -26280 + (NN) -11133 + (LL) 2984
1D Compatibility (HY) -25200 + (ID) 4950
Total energy: -257076.0 ( -129.05 by residue)
QMean score : 0.442
(partial model without unconserved sides chains):
PDB file :
Tito_1GAJ.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-1GAJ-query.scw
PDB file :
Tito_Scwrl_1GAJ.pdb
: