Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MKQLFLIIGAPGSGKTTDAELIAKNNSETIAHFSTGDLLRAESAKKTERGLLIEKFTSQGELVPLEIVVETILSAIKS-S-SKGIILIDGYPRSVEQMQALDKELNAQNEVILKSVIEVEVSENTAKERVLGRSRGADDNERVFHNRMRVFLDPLVEIQNFYKAKHLHKIINGERSIEEIVNEMQKYILSFAN
3UMF Chain:A ((8-194))
KAKVIFVLGGPGSGKGTQCEKLVQKF--HFNHLSSGDLLRAEVQSGSPKGKELKAMMERGELVPLEVVLALLKEAMIKLVDKNCHFLIDGYPRELDQGIKFEKEV-----CPCLCVINFDVSEEVMRKRLLK---RVDDNEETIVKRFRTFNELTKPVIEHYKQQNKVITIDASGTVDAIFDKVNHELQKFGV
General information:
TITO was launched using:
RESULT:
Template:
3UMF.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -87831 for 1294 contacts (-67.9/contact) +
2D Compatibility (PS) -19827 + (NN) -10541 + (LL) 456
1D Compatibility (HY) -11600 + (ID) 2800
Total energy: -132143.0 ( -102.12 by residue)
QMean score : 0.589
(partial model without unconserved sides chains):
PDB file :
Tito_3UMF.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-3UMF-query.scw
PDB file :
Tito_Scwrl_3UMF.pdb
: