Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MLKDEMIAKGAKYIQSIYQDPFIQGIIKGRLDHDVICHYLQADNIYLGKFADIYALCLAKSDNLRDKQFFLEQIDFTLNRELADGEGPHQALAAYTNRSYQDIIE-----KGVWYPS--ADHYIKHMYFHFYENGIAGALAAMSPCPWIYHQLAKKIIEENQFLNGNP-FNNWITFYANDTVEELMENYFRMMDYYAQNLSKEKQADLVDAFVKSCQMRDVFFKWQ
1YAK Chain:A ((30-228))
-FSEECRSAAAEWWEGSFVHPFVQGIGDGTLPIDRFKYYVLQDSYYLTHFAKVQSFGAAYAKDL-----------YTTGRMASHAQGTYEAEMA-LHREFAELLEISEEERKAFKPSPTAYSYTSHMYRSVLSGNFAEILAALLPCYWLYYEVGEKLLHCDP---GHPIYQKWIGTYGGDWFRQQVEEQINRFDELAENSTEEVRAKMKENFVISSYYEYQFWGMA
General information:
TITO was launched using:
RESULT:
Template:
1YAK.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -92997 for 1408 contacts (-66.0/contact) +
2D Compatibility (PS) -20297 + (NN) -4945 + (LL) 1528
1D Compatibility (HY) -11600 + (ID) 2800
Total energy: -131111.0 ( -93.12 by residue)
QMean score : 0.513
(partial model without unconserved sides chains):
PDB file :
Tito_1YAK.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-1YAK-query.scw
PDB file :
Tito_Scwrl_1YAK.pdb
: