Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MPEKLDTVLGYLKEFPDYYKYVTKKTYTLNEKIIFEDEKAKSIFFIVEGYAAVEL-EDNLRKTNYISIFVLPYNVLGIDAFSSYPKKKHSITVMSESLMLYKIDADFLLNILSIKPDVNDFLLTSIADVFARHYALLGM-IAKTPKERIYMALENLAVEMGTEDEERNEIVLPNFINQSVLARYCRTTQPNISNLLTELVEEEFLINK-KSPYRIDKDSLDI
3KCC Chain:A ((65-257))
-----------------FLSHCHIHKYPSKSTLIHQGEKAETLYYIVKGSVAVLIKDEE--GKEMILSYLNQGDFIGELGLFEEGQERSAWVRAKTACEVAEISYKKFRQLIQVNPDILMRLSAQMARRLQVTSEKVGNLAFLLVTGRIAQTLLNLAKQPDAMTH-PDGMQI--KITRQEIGQIVGCSRETVGRILKMLEDQNLISAHGKTIVVY-------
General information:
TITO was launched using:
RESULT:
Template:
3KCC.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -120847 for 1350 contacts (-89.5/contact) +
2D Compatibility (PS) -20480 + (NN) -3462 + (LL) 1284
1D Compatibility (HY) -7600 + (ID) 1400
Total energy: -152505.0 ( -112.97 by residue)
QMean score : 0.430
(partial model without unconserved sides chains):
PDB file :
Tito_3KCC.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-3KCC-query.scw
PDB file :
Tito_Scwrl_3KCC.pdb
: