Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MKQLFLIIGAPGSGKTTDAELIAKNNSETIAHFSTGDLLRAESAKKTERGLLIEKFTSQGELVPLEIVVETILSAIKSSSKGIILIDGYPRSVEQMQALDKELNAQNEVILKSVIEVEVSENTAKERVLGRS-----------------------RGADDNERVFHNRMRVFLDPLVEIQNFYKAKHLHKIINGERSIEEIVNEMQKYILSFAN
2RH5 Chain:A ((2-198))
---ILVFLGPPGAGKGTQAKRLAKEKG--FVHISTGDILREAVQKGTPLGKKAKEYMERGELVPDDLIIALIEEVF--PKHGNVIFDGFPRTVKQAEALDEMLEKKG-LKVDHVLLFEVPDEVVIERLSGRRINPETGEVYHVKYNPPPPGVKVIQREDDKPEVIKKRLEVYREQTAPLIEYYKKKGILRIIDASKPVEEVYRQVLEVI-----
General information:
TITO was launched using:
RESULT:
Template:
2RH5.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -66304 for 1244 contacts (-53.3/contact) +
2D Compatibility (PS) -19718 + (NN) -14913 + (LL) 1344
1D Compatibility (HY) -13600 + (ID) 2750
Total energy: -115941.0 ( -93.20 by residue)
QMean score : 0.564
(partial model without unconserved sides chains):
PDB file :
Tito_2RH5.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-2RH5-query.scw
PDB file :
Tito_Scwrl_2RH5.pdb
: