Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MPKNLYNYQEFIRLSHEGKIAYEQIDVPKNASLLTEKIDIDNHIYLVVDGYIALILNDGSQNSKIYSIQGKGTFLNYFTLLDQSN--NHFNFKTL-SGCSLYKYSKADMEYFLSMFPENFGFQFFIMKNQTTHVYFKS-LMASSPASEKLKTTFSNMALLHGVLSDDGTVILPQ-AIKTSHLLSYSNLSK-SCFYKDLQYLKTTNQIEKKEKCWIIHDQALYTMIQNGQTSF
2BGC Chain:A ((18-222))
---------------------IKPKQFHKKELIFNQWDPQ-EYCIFLYDGITKLTSISENGTIMNLQYY-KGAFVIMSGFIDTETSVGYYNLEVISEQATAYVIKINELKELLSKNLTHFFYVFQTLQKQVSYSLAKFNDFSINGKLGSICSQLLILTYVYGKETPDG-IKITLDNLTMQELGYSSGIAHSSAVSRIISKLKQEKVIVYKNSCFYVQNLDYLKRYAPKLD--
General information:
TITO was launched using:
RESULT:
Template:
2BGC.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -83299 for 1405 contacts (-59.3/contact) +
2D Compatibility (PS) -20804 + (NN) -2758 + (LL) 1356
1D Compatibility (HY) -10400 + (ID) 1350
Total energy: -117255.0 ( -83.46 by residue)
QMean score : 0.365
(partial model without unconserved sides chains):
PDB file :
Tito_2BGC.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-2BGC-query.scw
PDB file :
Tito_Scwrl_2BGC.pdb
: