Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MDSEKIELIFEKLKQSNPIPKIELSYTNHFTLLVAIVLSARTTDVSVNKITKELFSIANTPEKMLNLGQSELKKHISSIGLYNSKAKNIIELSRILVERHTSKVPTNFDDLVSLPGVGRKSANVFLNSGLGIPTLAVDTHVFRVSNKIGLVKEKDVFK--TEKSLLNVVPKKYLLYA-----HHWLVLHGRYVCKAQKPSCKTCIIHDLCEFECKRYKV
3G0Q Chain:A ((27-207))
---------------------------DPYKVWVSEVMLQQTRVETVIPYFEQFIDRFPTLEALADADEDEVLKAWEGLGYY-SRVRNLHAAVKEVKTRYGGKVPDDPDEFSRLKGVGPYTVGAVLSLAYGVPEPAVDGNVMRVLSRLFLVTD-DIAKCSTRKRFEQIV-REIMAYENPGAFNEALIELGALVCTPRRPSCLLCPVQAYCQAFAEGVAE
General information:
TITO was launched using:
RESULT:
Template:
3G0Q.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -97602 for 1300 contacts (-75.1/contact) +
2D Compatibility (PS) -17967 + (NN) -8546 + (LL) 1944
1D Compatibility (HY) -12400 + (ID) 2350
Total energy: -136921.0 ( -105.32 by residue)
QMean score : 0.448
(partial model without unconserved sides chains):
PDB file :
Tito_3G0Q.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-3G0Q-query.scw
PDB file :
Tito_Scwrl_3G0Q.pdb
: