Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MSGLLDLLEIRKAYG-DTRVLEGVALSLAPGEVVSLLGPSGCGKSTLLRIAAGLDDDFQGTVERNPILGFGPDGENGRSGGIGVVFQEPRLLPWLTVAQNVGFADGWL-----EDEHWVERLLADVGLAGCGGLLPKQLSGGMAQRAAIARGLYGRPQVLLLDEPFSAVDAFTRMRLQDLLQDVVQNYEISVLLVTHDLDEAFYLADRVLLMGGRPGHIRREFHVPLARPRDRRAVELAYLRGEALTEMQRAHVL
1Z47 Chain:A ((13-237))
--MTIEFVGVEKIYPGGARSVRGVSFQIREGEMVGLLGPSGSGKTTILRLIAGLERPTKGDVWIGGKRVTDL---PPQKRNVGLVFQNYALFQHMTVYDNVSFGLREKRVPKDEMDARVRELLRFMRLESYANRFPHELSGGQQQRVALARALAPRPQVLLFDEPFAAIDTQIRRELRTFVRQVHDEMGVTSVFVTHDQEEALEVADRVLVLH--EGNVEQFGTPEEVYEKP-----------------------
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) -147533 for 1788 contacts (-82.5/contact) +
2D Compatibility (PS) -24466 + (NN) -19526 + (LL) 2684
1D Compatibility (HY) -14800 + (ID) 3850
Total energy: -207491.0 ( -116.05 by residue)
QMean score : 0.457
(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
: