Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MKQLFLIIGAPGSGKTTDAELIAKNNSETIAHFSTGDLLRAESAKKTERGLLIEKFTSQGELVPLEIVVETILSA-IKSSSKGI-ILIDGYPRSVEQMQALDKELNAQNEVILKSVIEVEVSENTAKERVLGRSRGADDNERVFHNRMRVFLDPLVEIQNFYKAKHLHKIINGERSIEEIVN----EMQKYILSFAN
3UMF Chain:A ((10-194))
--KVIFVLGGPGSGKGTQCEKLVQKFH--FNHLSSGDLLRAEVQSGSPKGKELKAMMERGELVPLEVVLALLKEAMIKLVDKNCHFLIDGYPRELDQGIKFEKEVCP-----CLCVINFDVSEEVMRKRLLK---RVDDNEETIVKRFRTFNELTKPVIEHYKQQNKVITIDASGTVDAIFDKVNHELQKFGVK---
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) -71302 for 1208 contacts (-59.0/contact) +
2D Compatibility (PS) -19032 + (NN) -10445 + (LL) 1492
1D Compatibility (HY) -13200 + (ID) 3050
Total energy: -115537.0 ( -95.64 by residue)
QMean score : 0.613
(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
: