Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MLQATCARIARRFVWRNRMPRRLFIGLFLLPLPLFAAPPKDELAYAVGARLGMRLQQEMPGLELSELLLGLRQAYRGEALEIPPERIEQLLLQHENATTETPRTTPAEARFLANEKARFGVRELTGGVLVSELRRGQGNGIGAATQVHVRYRGLLADGQVFDQSES-AEWFAL----DSVIEGWRTALRAMPVGARWRVVIPSAQAYGHEGAGDLIPPDAPLVFEIDLLGFR
4GGQ Chain:D ((105-207))
------------------------------------------------------------------------------------------------------------------------------GLKYEDLTEGSGAEARAGQTVSVHYTGWLTDGQKFDSSKDRNDPFAFVLGGGMVIKGWDEGVQGMKVGGVRRLTIPPQLGYGARGAGGVIPPNATLVFEVELL---
General information:
TITO was launched using:
RESULT:
Template:
4GGQ.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -79709 for 704 contacts (-113.2/contact) +
2D Compatibility (PS) -10227 + (NN) -2427 + (LL) 10592
1D Compatibility (HY) -8800 + (ID) 2150
Total energy: -92721.0 ( -131.71 by residue)
QMean score : 0.445
(partial model without unconserved sides chains):
PDB file :
Tito_4GGQ.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-4GGQ-query.scw
PDB file :
Tito_Scwrl_4GGQ.pdb
: