Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MQKLIVALFGLLLAACSSSPPETPPTRVVIWLHAAPNLNPSAAGQAAPLRLRLYELKKDTAFGRADYFALTDNAQSTLGGDLVEQDEFLLRP------GEERRIERTLDEQTRQLGFVAAYRDLDRATWRQV-LDVPGQRTSHLDITLGAQAIGIVARPAP
3THW Chain:A ((444-526))
---------------------------------------------------------------RSDFSKFQEMIETTLDMDQVENHEFLVKPSFDPNLSELREIMNDL-EKKMQSTLISAARDLGLDPGKQIKLDSSA--GYYFRVTCKEEKVLRNNKNFS
General information:
TITO was launched using:
RESULT:
Template:
3THW.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -8219 for 330 contacts (-24.9/contact) +
2D Compatibility (PS) -7943 + (NN) -1106 + (LL) 4576
1D Compatibility (HY) -4000 + (ID) 1250
Total energy: -17942.0 ( -54.37 by residue)
QMean score : 0.272
(partial model without unconserved sides chains):
PDB file :
Tito_3THW.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-3THW-query.scw
PDB file :
Tito_Scwrl_3THW.pdb
: