Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MDHSHHMGMSYMDSNSTMQPSHHHPTTSASHSHGGGDSSMMMMPMTFYFGFKNVELLFSGLVINTAGEMAGAFVAVFLLAMFYEGLKIARESLLRKSQVSIRYNSMPVPGPNGTILMETHKTVGQQMLSFPHLLQTVLHIIQVVISYFLMLIFMTYNGYLCIAVAAGAGTGYFLFSWKKAVVVDITEHCH
2NRG Chain:A ((1-82))
----------------------------------MADKTIFNDHLNTN-PKTNLRLWVAFQMMKGAGWAGGVFFGTLLLIGFFRVVGRM---------LPIQENQAPAPNITGAL--ETGIELIKHLV--------------------------------------------------------------
General information:
TITO was launched using:
RESULT:
Template:
2NRG.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -11482 for 384 contacts (-29.9/contact) +
2D Compatibility (PS) -8442 + (NN) -5265 + (LL) 8144
1D Compatibility (HY) -4000 + (ID) 850
Total energy: -21895.0 ( -57.02 by residue)
QMean score : -0.286
(partial model without unconserved sides chains):
PDB file :
Tito_2NRG.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-2NRG-query.scw
PDB file :
Tito_Scwrl_2NRG.pdb
: