Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MSDKILSVEHLMMHFGGIKALNDVNLDVERGSITALIGPNGAGKTTVFNCLTGFYKATGGNILLNTQGRTTDVIQVLGEPFQLDDFVKPPQLGSRLYYKMFGGTHLVNRAGLARTFQNIRLFKDMSVVENLLVAQHMFVNRNLLAGILNTPGYRRAESEALD-HAFYWLEVVDLVDCANRLAGEMSYGQQRRLEIARAMCTRPELICLDEPAAGLNPAETHALSNIVRYLRDHHGITVLLIEHDMGMVMNISDHIIVLDHGDVIARGNPEQIRHDEKV--IAAYLGADEEELS
1Z47 Chain:A ((13-247))
MTIEFVGVEKI--YPGGARSVRGVSFQIREGEMVGLLGPSGSGKTTILRLIAGLERPTKGDVWIGGK-RVTDL---------------PPQ-----------------KRNVGLVFQNYALF------------QHMTVYDNVSFGLRE----KRVPKDEMDARVRELLRFMRLESYANRFPHELSGGQQQRVALARALAPRPQVLLFDEPFAAIDTQIRRELRTFVRQVHDEMGVTSVFVTHDQEEALEVADRVLVLHEGNVEQFGTPEEVYEKPGTLFVASFIG-------
General information:
TITO was launched using:
RESULT:
Template:
1Z47.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -173782 for 1909 contacts (-91.0/contact) +
2D Compatibility (PS) -24740 + (NN) -12213 + (LL) 3896
1D Compatibility (HY) -19200 + (ID) 3750
Total energy: -229789.0 ( -120.37 by residue)
QMean score : 0.439
(partial model without unconserved sides chains):
PDB file :
Tito_1Z47.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-1Z47-query.scw
PDB file :
Tito_Scwrl_1Z47.pdb
: