Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MLKDEMIAKGAKYIQSIYQDPFIQGIIKGRLDHDVICHYLQADNIYLGKFADIYALCLAKSDNLRDKQFFLEQIDFTLNRELADGEGPHQALAAYTNRSYQDIIE-----KGVWYPSADHY--IKHMYFHFYENGIAGALAAMSPCPWIYHQLAKKIIEENQFLNGNP-FNNWITFYANDTVEELMENYFRMMDYYAQNLSKEKQADLVDAFVKSCQMRDVFFKWQ
2QCX Chain:A ((30-228))
-FSEECRSAAAEWWEGSFVHPFVQGIGDGTLPIDRFKYYVLQDSYYLTHFAKVQSFGAAYAKDL-----------YTTGRMASHAQGTYEAEMA-LHREFAELLEISEEERKAFKPSPTAYSFTSHMYRSVLSGNFAEILAALLPCYWLYYEVGEKLLHCDP---GHPIYQKWIGTYGGDWFRQQVEEQINRFDELAENSTEEVRAKMKENFVISSYYEYQFWGMA
General information:
TITO was launched using:
RESULT:
Template:
2QCX.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -89601 for 1389 contacts (-64.5/contact) +
2D Compatibility (PS) -20308 + (NN) -5093 + (LL) 1528
1D Compatibility (HY) -11600 + (ID) 2750
Total energy: -127824.0 ( -92.03 by residue)
QMean score : 0.490
(partial model without unconserved sides chains):
PDB file :
Tito_2QCX.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-2QCX-query.scw
PDB file :
Tito_Scwrl_2QCX.pdb
: