Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MSDKILSVEHLMMHFGGIKALNDVNLDVERGSITALIGPNGAGKTTVFNCLTGFYKATGGNILLNTQGRTTDVIQVLGEPFQLDDFVKPPQLGSRLYYKMFGGTHLVNRAGLARTFQNIRLFKDMSVVENLLVAQHMFVNRNLLAG--ILNTPGYRR---AESEALDHAFYWLEVVDLVDCANRLAGEMSYGQQRRLEIARAMCTRPELICLDEPAAGLNPAETHALSNIVRYLRDHHGITVLLIEHDMGMVMNISDHIIVLDHGDVIARGNPEQ----IRHDEKVIAAYLGADEEELS
1G6H Chain:A ((6-256))
---EILRTENIVKYFGEFKALDGVSISVNKGDVTLIIGPNGSGKSTLINVITGFLKADEGRVYFENKDITNK------EPAELYHY------------------------GIVRTFQTPQPLKEMTVLENLLIGE-------ICPGESPLNSLFYKKWIPKEEEMVEKAFKILEFLKLSHLYDRKAGELSGGQMKLVEIGRALMTNPKMIVMDEPIAGVAPGLAHDIFNHVLELK-AKGITFLIIEHRLDIVLNYIDHLYVMFNGQIIAEGRGEEEIKNVLSDPKVVEIYIG-------
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) -200150 for 1944 contacts (-103.0/contact) +
2D Compatibility (PS) -26135 + (NN) -12245 + (LL) 3004
1D Compatibility (HY) -26800 + (ID) 5000
Total energy: -267326.0 ( -137.51 by residue)
QMean score : 0.460
(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
: