Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MCA-------DAQPSGSVGLLGRNCPTATTRWRRAGEGLTAADTIEVKLWAGKPRLHPLVPKRAVGV------LLAVAHGQ-VAKTPSATRAIAFRHVRLMRVRWICAGNR-----GRKHKRRCTTQYRSTQASK----------LQLHFKLRQTLNRLGGLQAMVSACG-
1K45 Chain:A ((1-168))
MLVANINGGFESTPAGVVTDLAEGVEGWDLNV---GSSVTNPPVFEVLETSDAPEGNKVLAVTVNGVGNNPWDIEATAFPVNVRPGVTYTYTIWARAEQDGAVVSFTVGNQSFQEYGRLHEQQITTEWQPFTFEFTVSDQETVIRAPIHFGYAANVGNTIYIDGLAIASQP
General information:
TITO was launched using:
RESULT:
Template:
1K45.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -32611 for 1024 contacts (-31.8/contact) +
2D Compatibility (PS) -14156 + (NN) 3490 + (LL) 344
1D Compatibility (HY) -3200 + (ID) 1450
Total energy: -47583.0 ( -46.47 by residue)
QMean score : 0.280
(partial model without unconserved sides chains):
PDB file :
Tito_1K45.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-1K45-query.scw
PDB file :
Tito_Scwrl_1K45.pdb
: