Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MADCDSVTNSPLATATATLHTNRGDIKIALFGNHAPKTVANFVGLAQGTKDYSTQNASGGPSGPFYDGAVFHRVIQGFMIQGGDPT---GTG-RGGPGYKFADEFHPELQFDKPYLLAMANAGPGTNGSQFFITVGKTPHLNRRHTIFGEVIDAESQRVVEAISKTATDGNDRPTDPVVIESITIS
3K2C Chain:B ((42-172))
-----------------------GRIVMKLEDDIVPKTAKNFRTLCER------------PKGEGYKGSTFHRIIPGFMVQGGDYTAHNGTGGRSIYGEKFPDE-NFELKHTKEGILSMANCGAHTNGSQFFITLGKTQWLDEKHVVFGEVV--EGMDVVHKIAKYGSE-----------------
General information:
TITO was launched using:
RESULT:
Template:
3K2C.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -55912 for 943 contacts (-59.3/contact) +
2D Compatibility (PS) -14012 + (NN) -13487 + (LL) 2012
1D Compatibility (HY) -8400 + (ID) 3250
Total energy: -93049.0 ( -98.67 by residue)
QMean score : 0.631
(partial model without unconserved sides chains):
PDB file :
Tito_3K2C.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-3K2C-query.scw
PDB file :
Tito_Scwrl_3K2C.pdb
: