Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MLHTIDFSDIFSSDYSSKISFKKGEIIHSYRDYEEKAPQIGAILEGTAVLEGPTNEGRWMINALIGQHALFGMESLLET-KTAPELTEYRVRALENGTVLFIDREFLLNYLYANPQFFHLILDEVIVRYLFTSKNYK-NINQAPIVKVTRILVEIIELLHLHQTEGSIELPVYVTQTFLADYCRSSRARVTEVLEELRESGLLLS-KKPITISSHENLLDQVDSFQTGNGLLTR
3KCC Chain:A ((67-257))
-------------SHCHIHKYPSKSTLI---HQGEKAETLYYIVKGSVAVLIKDEEGKEMILSYLNQGDFIGELGLFEEGQER----SAWVRAKTACEVAEISYKKFRQLIQVNPDILMRLSAQMARRLQVTSEKVGNLAFLLVTGRIAQTLLNLAKQPDAMTHPDG--MQIKITRQEIGQIVGCSRETVGRILKMLEDQNLISAHGKTIVVY---------------------
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) -120171 for 1321 contacts (-91.0/contact) +
2D Compatibility (PS) -19969 + (NN) -3188 + (LL) 2488
1D Compatibility (HY) -6000 + (ID) 1650
Total energy: -148490.0 ( -112.41 by residue)
QMean score : 0.434
(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
: