Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MDATPNAVELTVDNAWFIAETIGAGTFPWVLAITMPYSDAAQRGAFVDRQRDELTRMGLLSPQGVINPAVADWIKVVCFPDRWLDLRYVGPASADGACELLRGIVALRTGTGKTSNKTGNGVVALRNAQLVTFTAMDIDDPRALVPILGVGLAHRPPARFDEFSLPTRVGARADERLRSGVPLGEVVDYLGIPASARPVVESVFSGPRSYVEIVAGCNRDGRHTTTEVGLSIVDTSAGRVLVSPSRAFDGEWVSTFSPGTPFAIAVAIQTLTACLPDGQWFPGQRVSRDFSTQSS
4W4I Chain:A ((22-293))
-----NAVELTVDNAWFIAETIGAGTFPWVLAITMPYSDAAQRGAFVDRQRDELTRMGLLSPQGVINPAVADWIKVVCFPDRWLDLRYVGPASADGACELLRGIVALRTGTGK---KTGNGVVALRNAQLVTFTAMDIDDPRALVPILGVGLAHRPPARFDEFSLPTRVGARADERLRSGVPLGEVVDYLGIPASARPVVESVFSGPRSYVEIVAGCNRDGRHTTTEVGLSIVDTSAGRVLVSPSRAFDGEWVSTFSPGTPFAIAVAIQTLTACLPD------------------
General information:
TITO was launched using:
RESULT:
Template:
4W4I.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -207984 for 2043 contacts (-101.8/contact) +
2D Compatibility (PS) -29146 + (NN) -15215 + (LL) 684
1D Compatibility (HY) -37200 + (ID) 13450
Total energy: -302311.0 ( -147.97 by residue)
QMean score : 0.595
(partial model without unconserved sides chains):
PDB file :
Tito_4W4I.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-4W4I-query.scw
PDB file :
Tito_Scwrl_4W4I.pdb
: