Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MLQATCARIARRFVWRNRMPRRLFIGLFLLPLPLFAAPPKDELAYAVGARLGMRLQQEMPGLELSELLLGLRQAYRGEALEIPPERIEQLLLQHENATTETPRTTPAEARFLANEKARFGVRELTGGVLVSELRRGQGNGIGAATQVHVRYRGLLADGQVFDQSES-AEWFAL----DSVIEGWRTALRAMPVGARWRVVIPSAQAYGHEGAGDLIPPDAPLVFEIDLLGFR
4DZ3 Chain:A ((9-111))
------------------------------------------------------------------------------------------------------------------------------GLKYEDLTEGSGAEARAGQTVSVHYTGWLTDGQKFDSSKDRNDPFAFVLGGGHVIKGWDEGVQGMKVGGVRRLTIPPQLGYGARGAGGVIPPNATLVFEVELL---
General information:
TITO was launched using:
RESULT:
Template:
4DZ3.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -81403 for 697 contacts (-116.8/contact) +
2D Compatibility (PS) -10245 + (NN) -2447 + (LL) 10592
1D Compatibility (HY) -8800 + (ID) 2150
Total energy: -94453.0 ( -135.51 by residue)
QMean score : 0.389
(partial model without unconserved sides chains):
PDB file :
Tito_4DZ3.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-4DZ3-query.scw
PDB file :
Tito_Scwrl_4DZ3.pdb
: