Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MSDKILSVEHLMMHFGGIKALNDVNLDVERGSITALIGPNGAGKTTVFNCLTGFYKATGGNILLNTQGRTTDVIQVLGEPFQLDDFVKPPQLGSRLYYKMFGGTHLVNRAGLARTFQNIRLFKDMSVVENLLVAQHMFVNRNLLAGILNTPGYRRAESEALDHAFYWLEVVDLVDCANRLAGEMSYGQQRRLEIARAMCTRPELICLDEPAAGLNPAETHALSNIVRYLRDHHGITVLLIEHDMGMVMNISDHIIVLDHGDVIARGNPEQIRHDEKVIAAYLGADEEELS
1G6H Chain:A ((4-243))
-TMEILRTENIVKYFGEFKALDGVSISVNKGDVTLIIGPNGSGKSTLINVITGFLKADEGRVYFENKDIT--------------NK---EP------------AE-LYHYGIVRTFQTPQPLKEMTVLENLLIGEICPGESPLNSLFYKKWI--PKEEEMVEKAFKILEFLKLSHLYDRKAGELSGGQMKLVEIGRALMTNPKMIVMDEPIAGVAPGLAHDIFNHVLELKA-KGITFLIIEHRLDIVLNYIDHLYVMFNGQIIAEGRGEEEIKN----------------
General information:
TITO was launched using:
RESULT:
Template:
1G6H.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -183702 for 1962 contacts (-93.6/contact) +
2D Compatibility (PS) -25951 + (NN) -13633 + (LL) 3712
1D Compatibility (HY) -23200 + (ID) 4450
Total energy: -247224.0 ( -126.01 by residue)
QMean score : 0.463
(partial model without unconserved sides chains):
PDB file :
Tito_1G6H.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-1G6H-query.scw
PDB file :
Tito_Scwrl_1G6H.pdb
: