Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MLFLKELESNLTVSKLMELCFEHPNYKDY-CSVISTKKGEVLESLSPAGTKVYFVLSGIYGMIVEEDAEMEEESCKECIVRFLQKGDSFGLYHLFYDEW--SPHVSMQSL-GHGEVMEVDSNFLFSIFDKKDENNFFMIKVMAEELREAHT-FAKLSFLKKEERIRKAILKCAQTLGTFSDNGILLPR-EITQEVLARYTNTSR-EYVAHTVMHLIKEDIIRNRPKPLLVMDKTRL
2BGC Chain:A ((13-214))
-------------------------LETNGIKPKQFHKKELIFNQWDPQEYCIFLYDGITKLTSISE------NGTIMNLQYY-KGAFVIMSGFIDTETSVGYY-NLEVISEQATAYVIKINELKELLSKNLTHFFYVFQTLQKQVSYSLAKFNDFSINGKLGSICSQLLILTYVYGKETPDGIKITLDNLTMQELGYSSGIAHSSAVSRIISKLKQEKVIVYKNSCFYVQNLDYL
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) -84868 for 1318 contacts (-64.4/contact) +
2D Compatibility (PS) -20950 + (NN) -7956 + (LL) 3348
1D Compatibility (HY) -10800 + (ID) 1350
Total energy: -122576.0 ( -93.00 by residue)
QMean score : 0.367
(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
: