Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MNVLVIGANGKIGRLLVEKLAMEKGFFVRAMVRKAEQVSELEKLGAKPIIADLKK--DFHYAYDEIEAVIFTAGSGGHTPASETVNIDQNGAIKAIETAKEKGVRRFIIVSSYGADNPEN---------G----PESLAHYLKAKQAADEELKK---SGLDYTIVRPVGLSDDPATG----KIA--EVSG-------KPKTNIPRADVADFISEALSEKSSFYKTYTIESGDTPIKQFFN
2X4G Chain:A ((13-268))
VKYAVLGATGLLGHHAARAIRAA-GHDLVLIHRPSSQIQRLAYLEPECRVAEMLDHAGLERALRGLDGVIFS----------EEVASALGQTNPFYAACLQARVPRILYVGSAYAMPRHPQGLPGHEGLFYDSLPSGKSSYVLCKWALDEQAREQARNGLPVVIGIPGMVLGELDIGPTTGRVITAIGNGEMTHYVAGQRNVIDAAEAGRGLLMALERG-RIGERYLLTGHNLEMADLTR
General information:
TITO was launched using:
RESULT:
Template:
2X4G.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -77416 for 1540 contacts (-50.3/contact) +
2D Compatibility (PS) -22301 + (NN) -12103 + (LL) -292
1D Compatibility (HY) -7600 + (ID) 1950
Total energy: -121662.0 ( -79.00 by residue)
QMean score : 0.471
(partial model without unconserved sides chains):
PDB file :
Tito_2X4G.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-2X4G-query.scw
PDB file :
Tito_Scwrl_2X4G.pdb
: