Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MARILIVDDSPTEMYKLTAMLEKHGHQVLKAENGGDGVALARQEKPDVVLMDIVMPGLNGFQATRQLTKDAETSAIPVIIVTTKDQETDKVWGKRQGARDYLTKPVDEETLLKTINAVLAG
1NXX Chain:A ((2-116))
-KKILIVDDEKPISDIIKFNMTKEGYEVVTAFNGREALEQFEAEQPDIIILDL----IDGLEVAKTIRK---TSSVPILMLSAKDSEFDKVIGLELGADDYVTKPFSNRELQARVKALLRR
General information:
TITO was launched using:
RESULT:
Template:
1NXX.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -63425 for 880 contacts (-72.1/contact) +
2D Compatibility (PS) -11830 + (NN) -6135 + (LL) 468
1D Compatibility (HY) -10400 + (ID) 1900
Total energy: -93222.0 ( -105.93 by residue)
QMean score : 0.770
(partial model without unconserved sides chains):
PDB file :
Tito_1NXX.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-1NXX-query.scw
PDB file :
Tito_Scwrl_1NXX.pdb
: