Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MSGLLDLLEIRKAY-GDTRVLEGVALSLAPGEVVSLLGPSGCGKSTLLRIAAGLDDDFQGTVER--NPILGFGPDGENGRSGGIGVVFQEPRLLPWLTVAQNVGFA---DGWLEDEH--WVERLLADVGLAGCGGLLPKQLSGGMAQRAAIARGLYGRPQVLLLDEPFSAVDAFTRMRLQDLLQDVVQNYEISVLLVTHDLDEAFYLADRVLLMGGRPGHIRREFHVPLARPRDRRAVELAYLRGEALTEMQRAHVL
1Z47 Chain:B ((14-219))
---TIEFVGVEKIYPGGARSVRGVSFQIREGEMVGLLGPSGSGKTTILRLIAGLERPTKGDVWIGGKRVTDLPPQKRN-----VGLVFQNYALFQHMTVYDNVSFGLREKRVPKDEMDARVRELLRFMRLESYANRFPHELSGGQQQRVALARALAPRPQVLLFDEPFAAIDTQIRRELRTFVRQVHDEMGVTSVFVTHDQEEALEVADRVLVL-------------------------------------------
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) -152912 for 1552 contacts (-98.5/contact) +
2D Compatibility (PS) -21857 + (NN) -13540 + (LL) 2812
1D Compatibility (HY) -18000 + (ID) 4000
Total energy: -207497.0 ( -133.70 by residue)
QMean score : 0.499
(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
: