Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MSRPILEVSGLTMRFGGLLAVNGVNLKVEEKQVVSMIGPNGAGKTTVFNCLTGFYQPTGGLIRLDGEEIQGLPGHKIARKGVVRTFQNVRLFKEMTAVENLLVAQHRHLNTNFLAGLFKTPAFRRSEREAMEYAAHWLEEVNLTEFANRSAGTLAYGQQRRLEIARCMMTRPRILMLDEPAAGLNPKETDDLKALIAKLRSEHNVTVLLIEHDMKLVMSISDHIVVINQGAPLADGTPEQ----IRDNPDVIKAYLGEA
1GAJ Chain:A ((7-257))
----ILRTENIVKYFGEFKALDGVSISVNKGDVTLIIGPNGSGKSTLINVITGFLKADEGRVYFENKDITNKEPAELYHYGIVRTFQTPQPLKEMTVLENLLIGEINPGESPLNSLFYK--KWIPKEEEMVEKAFKILEFLKLSHLYDRKAGELSGGQMKLVEIGRALMTNPKMIVMDQPIAGVAPGLAHDIFNHVLELKAK-GITFLIIEHRLDIVLNYIDHLYVMFNGQIIAEGRGEEEIKNVLSDPKVVEIYIGE-
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) -156147 for 2021 contacts (-77.3/contact) +
2D Compatibility (PS) -26891 + (NN) -10745 + (LL) 240
1D Compatibility (HY) -24000 + (ID) 4100
Total energy: -221643.0 ( -109.67 by residue)
QMean score : 0.539
(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
: