Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MKQLFLIIGAPGSGKTTDAELIAKNNSETIAHFSTGDLLRAESAKKTERGLLIEKFTSQGELVPLEIVVETILSAIKS-S-SKGIILIDGYPRSVEQMQALDKELNAQNEVILKSVIEVEVSENTAKERVLGRSRG---ADDNERVFHNRMRVFLDPLVEIQNFYKAKHLHKIINGERSIEEIVNEMQKYILSFAN
2C95 Chain:A ((8-195))
KTNIIFVVGGPGSGKGTQCEKIVQKY--GYTHLSTGDLLRSEVSSGSARGKKLSEIMEKGQLVPLETVLDMLRDAMVAKVNTSKGFLIDGYPREVQQGEEFERRI-----GQPTLLLYVDAGPETMTQRLLKRGETSGRVDDNEETIKKRLETYYKATEPVIAFYEKRGIVRKVNAEGSVDSVFSQVCTHLDALL-
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) -82031 for 1419 contacts (-57.8/contact) +
2D Compatibility (PS) -20912 + (NN) -15801 + (LL) 204
1D Compatibility (HY) -10800 + (ID) 2600
Total energy: -131940.0 ( -92.98 by residue)
QMean score : 0.563
(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
: