Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MLQATCARIARRFVWRNRMPRRLFIGLFLLPLPLFAAPPKDELAYAVGARLGMRLQQEMPGLELSELLLGLRQAYRGEALEIPPERIEQLLLQHENATTETPRTTPAEARFLANEKARFGVRELT--GGVLVSELRRG---QGNGIGAATQVHVRYRGLL-ADGQVFDQSESAE---WFALD--SVIEGWRTALRAMPVGARWRVVIPSAQAYGHEGAGDLIPPDAPLVFEIDLLGFR
2VN1 Chain:B ((11-126))
--------------------------------------------------------------------------------------------------------------------------ELTADGGVIKTILKKGDEGEENIPKKGNEVTVHYVGKLESTGKVFDSSFDRNVPFKFHLEQGEVIKGWDICVSSMRKNEKCLVRIESMYGYGDEGCGESIPGNSVLLFEIELLSFR
General information:
TITO was launched using:
RESULT:
Template:
2VN1.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -83922 for 752 contacts (-111.6/contact) +
2D Compatibility (PS) -11545 + (NN) -4327 + (LL) 10372
1D Compatibility (HY) -8800 + (ID) 2200
Total energy: -100422.0 ( -133.54 by residue)
QMean score : 0.521
(partial model without unconserved sides chains):
PDB file :
Tito_2VN1.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-2VN1-query.scw
PDB file :
Tito_Scwrl_2VN1.pdb
: