Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MKRIQKNILREFEMESSEQALAIWSVLSDVYDKSPWSLSQISEDLKKDSTDYFFVYNDGEVIGFLA------------LQQLVGEVEITNIAVKKNYQGKGYAYQLM-----SMIADIEVP-VFLEVRYSNIVAQKLYERCGFVVLGKRKNYYHDPIEGAIVMRKG
4R3K Chain:A ((44-165))
------------------------------------------EHLKEYGLAFFVAIVDNSVVGYIMPRIEWGFSNIKQLPSLVRKGHVVSIAVLEEYRRKGIATTLLEASMKSMKNDYNAEEIYLEVRVSNYPAIALYEKLNFKKVKVLKGYYADGEDAYLMARPL
General information:
TITO was launched using:
RESULT:
Template:
4R3K.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -64071 for 636 contacts (-100.7/contact) +
2D Compatibility (PS) -11322 + (NN) -3158 + (LL) 3716
1D Compatibility (HY) -10400 + (ID) 1850
Total energy: -87085.0 ( -136.93 by residue)
QMean score : 0.415
(partial model without unconserved sides chains):
PDB file :
Tito_4R3K.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-4R3K-query.scw
PDB file :
Tito_Scwrl_4R3K.pdb
: