Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MKKKYRIKKNDDFQKVFRRGKSFANRQFVVYTLKQEGSNHFRIGLSVSKKIGNAVCRNRIKRYIRQSFHELESQINPENEYIIIARKPAAN----MDFHEVKKSLIHVLKVGRVLKQKPNNSK
3Q1R Chain:A ((21-114))
---------------IFKEGKSLQNEYFVVL-FRKNGLDYSRLGIVVKRKFGKATRRNKLKRWVREIFRRNKGVIPKGFDIVVIPRKKLSEEFERVDFWTVREKLLNLLK-------------
General information:
TITO was launched using:
RESULT:
Template:
3Q1R.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -47266 for 591 contacts (-80.0/contact) +
2D Compatibility (PS) -9666 + (NN) -5058 + (LL) 1532
1D Compatibility (HY) -9600 + (ID) 1550
Total energy: -71608.0 ( -121.16 by residue)
QMean score : 0.697
(partial model without unconserved sides chains):
PDB file :
Tito_3Q1R.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-3Q1R-query.scw
PDB file :
Tito_Scwrl_3Q1R.pdb
: