Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MLKDEMIAKGAKYIQSIYQDPFIQGIIKGRLDHDVICHYLQADNIYLGKFADIYALCLAKSDNLRDKQFFLEQIDFTLNRELADGEGPHQALAAYTNRSYQDIIE-----KGVWYPS--ADHYIKHMYFHFYENGIAGALAAMSPCPWIYHQLAKKIIEENQFLNGNP-FNNWITFYANDTVEELMENYFRMMDYYAQNLSKEKQADLVDAFVKSCQMRDVFFKWQ
1YAF Chain:A ((3-201))
-FSEECRSAAAEWWEGSFVHPFVQGIGDGTLPIDRFKYYVLQDSYYLTHFAKVQSFGAAYAKDL-----------YTTGRMASHAQGTYEAEMA-LHREFAELLEISEEERKAFKPSPTAYSYTSHMYRSVLSGNFAEILAALLPCYWLYYEVGEKLLHCDP---GHPIYQKWIGTYGGDWFRQQVEEQINRFDELAENSTEEVRAKMKENFVISSYYEYQFWGMA
General information:
TITO was launched using:
RESULT:
Template:
1YAF.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -94913 for 1401 contacts (-67.7/contact) +
2D Compatibility (PS) -20267 + (NN) -4986 + (LL) 1528
1D Compatibility (HY) -11600 + (ID) 2800
Total energy: -133038.0 ( -94.96 by residue)
QMean score : 0.485
(partial model without unconserved sides chains):
PDB file :
Tito_1YAF.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-1YAF-query.scw
PDB file :
Tito_Scwrl_1YAF.pdb
: