Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MRSPNLEKEETEIIETLLVREKMRLCPLYWRILAFLIDSLLVAFLLSDLLRACAFLHSLYWLTNPIYYSAFVVMGFIILYGVYEIFFVCLCKMSLAKLVFRIKIIDIYLADCPSRAILLKRLGLKIVVFLCPFLWFVVFKNPYHRAWHEEKSKSLLVLF
3K1O Chain:A ((2-43))
--------------------------------------------------------------TPPVYPVTVPFLGHIVQFGKNPLEFMQRCKRDLKSGVFTISIGGQRVTIVGDPHEHSRFFSPRNEILSPREVYTIMTPVFGEGVAYAAPYPRMREQL
General information:
TITO was launched using:
RESULT:
Template:
3K1O.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -34457 for 235 contacts (-146.6/contact) +
2D Compatibility (PS) -4153 + (NN) 798 + (LL) 6788
1D Compatibility (HY) -2400 + (ID) 700
Total energy: -34124.0 ( -145.21 by residue)
QMean score : 0.192
(partial model without unconserved sides chains):
PDB file :
Tito_3K1O.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-3K1O-query.scw
PDB file :
Tito_Scwrl_3K1O.pdb
: