Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MAQLYYKYGTMNSGKTIEILKVAHNYEEQGKPVVIMTSALDTRDEFGVVSSRIGMRREAVPISDDMDIFSYIQNLPQKPYCVLIDECQFLSKKNVYDLARVVDDLDVPVMAFGLKNDFQNNLFEGSKHLLLLADKIDEIKTICQYCSK-KATMVLRTENGKPVYEGDQIQIGGNETYIPVCRKHYFNPDI
2ORW Chain:B ((10-177))
--------GPMYSGKTTELLSFVEIYKLGKKKVAVFKPKID-----TMIVSH---GVEAHVIERPEEMRKYIE---EDTRGVFIDEVQFFN-PSLFEVVKDLLDRGIDVFCAGLDLTHKQNPFETTALLLSLADTVIKKKAVCHRCGEYNATLTLKVAGGE-----EEIDVGGQEKYIAVCRDCYNTLKK
General information:
TITO was launched using:
RESULT:
Template:
2ORW.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -90977 for 1188 contacts (-76.6/contact) +
2D Compatibility (PS) -17177 + (NN) -6724 + (LL) 1636
1D Compatibility (HY) -12000 + (ID) 2650
Total energy: -127892.0 ( -107.65 by residue)
QMean score : 0.456
(partial model without unconserved sides chains):
PDB file :
Tito_2ORW.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-2ORW-query.scw
PDB file :
Tito_Scwrl_2ORW.pdb
: