Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MSRPILEVSGLTMRFGGLLAVNGVNLKVEEKQVVSMIGPNGAGKTTVFNCLTGFYQPTGGLIRLDGEEIQGLPGHKIARKGVVRTFQNVRLFKEMTAVENLLVAQ----HRHLNTNFLAGLFKTPAFRRSEREAMEYAAHWLEEVNLTEFANRSAGTLAYGQQRRLEIARCMMTRPRILMLDEPAAGLNPKETDDLKALIAKLRSEHNVTVLLIEHDMKLVMSISDHIVVINQGAPLADGTPEQ----IRDNPDVIKAYLGEA
1G6H Chain:A ((7-257))
----ILRTENIVKYFGEFKALDGVSISVNKGDVTLIIGPNGSGKSTLINVITGFLKADEGRVYFENKDITNKEPAELYHYGIVRTFQTPQPLKEMTVLENLLIGEICPGESPLNSLFYK------KWIPKEEEMVEKAFKILEFLKLSHLYDRKAGELSGGQMKLVEIGRALMTNPKMIVMDEPIAGVAPGLAHDIFNHVLELKAK-GITFLIIEHRLDIVLNYIDHLYVMFNGQIIAEGRGEEEIKNVLSDPKVVEIYIGE-
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) -161304 for 1945 contacts (-82.9/contact) +
2D Compatibility (PS) -26891 + (NN) -14654 + (LL) 440
1D Compatibility (HY) -24800 + (ID) 4250
Total energy: -231459.0 ( -119.00 by residue)
QMean score : 0.521
(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
: