Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MKQLFLIIGAPGSGKTTDAELIAKNNSETIAHFSTGDLLRAESAKKTERGLLIEKFTSQGELVPLEIVVETILSAIKSSSKGIILIDGYPRSVEQMQALDKELNAQNEVILKSVIEVEVSENTAKERVLGRSRG--------------------------------ADD-NERVFHNRMRVFLDPLV---EIQNFYKAKH-----LHKIINGERSIEEIVNEMQKYILSFAN
2XB4 Chain:A ((1-222))
--MNILIFGPNGSGKGTQGNLVKDKY--SLAHIESGGIFREHIGGGTELGKKAKEFIDRGDLVPDDITIPMVLETLESKGKDGWLLDGFPRNTVQAQKLFEALQE-KGMKINFVIEILLPREVAKNRIMGRRICKNNPNHPNNIFIDAIKPNGDVCRVCGGALSARADDQDEGAINKRHDIYYNTVDGTLAAAYYYKNMAAKEGFVYIELDGEGSIDSIKDTLLAQLA----
General information:
TITO was launched using:
RESULT:
Template:
2XB4.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -63338 for 1321 contacts (-47.9/contact) +
2D Compatibility (PS) -20467 + (NN) -14624 + (LL) 892
1D Compatibility (HY) -11200 + (ID) 2700
Total energy: -111437.0 ( -84.36 by residue)
QMean score : 0.618
(partial model without unconserved sides chains):
PDB file :
Tito_2XB4.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-2XB4-query.scw
PDB file :
Tito_Scwrl_2XB4.pdb
: