Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MKLITAIVKPFTLDDVKTSLEDAGVLGMTVSEIQGYGRQKGHTEVYRGAEYSVDFVPKVRIEVVVDDSIVDKVVDSIVRAARTGKIGDGKVWVSPVDTIVRVRTGERGHDAL
4CO2 Chain:A ((1-112))
MKLVMAIIKPFKLDEVREALTSLGIQGLTVSEVKGFGRQKGQTEIYRGAEYSVSFLPKVKVEVAVSDDQYEQVVEAIQKAANTGRIGDGKIFVLDIAQAVRIRTGETNTEAL
General information:
TITO was launched using:
RESULT:
Template:
4CO2.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -63995 for 741 contacts (-86.4/contact) +
2D Compatibility (PS) -12124 + (NN) -1666 + (LL) 0
1D Compatibility (HY) -12400 + (ID) 3150
Total energy: -93335.0 ( -125.96 by residue)
QMean score : 0.582
(partial model without unconserved sides chains):
PDB file :
Tito_4CO2.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-4CO2-query.scw
PDB file :
Tito_Scwrl_4CO2.pdb
: