Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MADCDSVTNSPLATATATLHTNRGDIKIALFGNHAPKTVANFVGLAQGTKDYSTQNASGGPSGPFYDGAVFHRVIQGFMIQGGDPTG-TGRGGP---GYKFADEFHPELQFDKPYLLAMANAGPGTNGSQFFITVGKTPHLNRRHTIFGEVIDAESQRVVEAISKTATDGNDRPTDPVVIESITIS
4N1R Chain:A ((18-158))
-----------------------GRVSFELFADKVPKTAENFRALSTGEKGFG------------YKGSCFHRIIPGFMCQGGDFTRHNGTGGKSIYGEKFEDE-NFILKHTGPGILSMANAGPNTNGSQFFICTAKTEWLDGKHVVFGKV--KEGMNIVEAMERFGSR-NGKTSKKITI------
General information:
TITO was launched using:
RESULT:
Template:
4N1R.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -59329 for 1040 contacts (-57.0/contact) +
2D Compatibility (PS) -14748 + (NN) -12063 + (LL) 1392
1D Compatibility (HY) -10000 + (ID) 3150
Total energy: -97898.0 ( -94.13 by residue)
QMean score : 0.579
(partial model without unconserved sides chains):
PDB file :
Tito_4N1R.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-4N1R-query.scw
PDB file :
Tito_Scwrl_4N1R.pdb
: