Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MRSPNLEKEETEIIETLLVREKMRLCPLYWRILAFLIDSLLVAFLLSDLLRACAFLHSLYWLTNPIYYSAFVVMGFIILYGVYEIFFVCLCKMSLAKLVFRIKIIDIYLADCPSRAILLKRLGLKIVVFLCPFLWFVVFKNPYHRAWHEEKSKSLLVLF
4CKA Chain:A ((4-45))
--------------------------------------------------------------TPPVYPVTVPFLGHIVQFGKNPLEFMQRCKRDLKSGVFTISIGGQRVTIVGDPHEHSRFFSPRNEILSPREVYTIMTPVFGEGVAYAAPYPRMREQL
General information:
TITO was launched using:
RESULT:
Template:
4CKA.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -29651 for 223 contacts (-133.0/contact) +
2D Compatibility (PS) -4158 + (NN) 1548 + (LL) 6788
1D Compatibility (HY) -2400 + (ID) 700
Total energy: -28573.0 ( -128.13 by residue)
QMean score : 0.108
(partial model without unconserved sides chains):
PDB file :
Tito_4CKA.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-4CKA-query.scw
PDB file :
Tito_Scwrl_4CKA.pdb
: