Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MPKNLYNYQEFIRLSHEGKIAYEQIDVPKNASLLTEKIDIDNHIYLVVDGYIALILNDGSQNSKIYSIQGKGTFLNYFTLLD-QSNNHFNFKTLSGCSLYKYSKADMEYFLSMFPENFGFQFFIMKNQTTHVYFKS-LMASSPASEKLKTTFSNMALLHGVLSDDGTVILPQAIKTSHLLSYSNLSKSCFYKDLQYLKTTNQIEKKEKCWIIHDQALYTMIQNGQTSF
3KCC Chain:A ((65-257))
-----------------FLSHCHIHKYPSKSTLIHQGEKA-ETLYYIVKGSVAVLIKDEEGKEMILSYLNQGDFIGELGLFEEGQERSAWVRAKTACEVAEISYKKFRQLIQVNPDILMRLSAQMARRLQVTSEKVGNLAFLLVTGRIAQTLLNLAKQPDAMTHP--DGMQIKITRQEIGQIVGCSRETVGRILKMLEDQNLISAHGKTIVVY---------------
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) -91402 for 1362 contacts (-67.1/contact) +
2D Compatibility (PS) -19938 + (NN) -2161 + (LL) 2156
1D Compatibility (HY) -8400 + (ID) 1400
Total energy: -121145.0 ( -88.95 by residue)
QMean score : 0.382
(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
: