Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MKQLFLIIGAPGSGKTTDAELIAKNNSETIAHFSTGDLLRAESAKKTERGLLIEKFTSQGELVPLEIVVETILSAIKS---SSKGIILIDGYPRSVEQMQALDKELNAQNEVILKSVIEVEVSENTAKERVLGR---SRGADDNERVFHNRMRVFLDPLVEIQNFYKAKHLHKIINGERSIEEIVNEMQKYILSFAN
2C95 Chain:A ((11-195))
---IIFVVGGPGSGKGTQCEKIVQKYGYT--HLSTGDLLRSEVSSGSARGKKLSEIMEKGQLVPLETVLDMLRDAMVAKVNTSKG-FLIDGYPREVQQGEEFERRI-GQPTLLLY----VDAGPETMTQRLLKRGETSGRVDDNEETIKKRLETYYKATEPVIAFYEKRGIVRKVNAEGSVDSVFSQVCTHLDALL-
General information:
TITO was launched using:
RESULT:
Template:
2C95.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -63105 for 1384 contacts (-45.6/contact) +
2D Compatibility (PS) -20195 + (NN) -14605 + (LL) 1256
1D Compatibility (HY) -12800 + (ID) 2950
Total energy: -112399.0 ( -81.21 by residue)
QMean score : 0.585
(partial model without unconserved sides chains):
PDB file :
Tito_2C95.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-2C95-query.scw
PDB file :
Tito_Scwrl_2C95.pdb
: