Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MRSPNLEKEETEIIETLLVREKMRLCPLYWRILAFLIDSLLVAFLLSDLLRACAFLHSLYWLTNPIYYSAFVVMGFIILYGVYEIFFVCLCKMSLAKLVFRIKIID---IYLADC--------PSRAILLKRLGLKIVVFLCP-FLWFVVFKNPYHRAWHEEKSKSLLVLF
3G1Q Chain:A ((7-96))
----------------------------------------------------------------PVYPVTVPILGHIIQFGKSPLGFMQECKRQLKSGIFTINIVGKRVTIVGDPHEHSRFFLPRNEVLSPR---EVYSFMVPVFGEGVAYAAPYPRMREQLNFLAEELTI
General information:
TITO was launched using:
RESULT:
Template:
3G1Q.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -54628 for 419 contacts (-130.4/contact) +
2D Compatibility (PS) -7506 + (NN) 4161 + (LL) 6940
1D Compatibility (HY) -4800 + (ID) 1200
Total energy: -57033.0 ( -136.12 by residue)
QMean score : 0.131
(partial model without unconserved sides chains):
PDB file :
Tito_3G1Q.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-3G1Q-query.scw
PDB file :
Tito_Scwrl_3G1Q.pdb
: