Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MTCAYRREIHHAHVAIRDWLAGDSRADALDALMARFAEDFSM-VTPHGVVLDKTALGELFRSKGGTRPGL-RIEIDGESLL----ASGVDGATLAYREIQSDAAGRSERLSTVVLHRDDEGRLYWRHLQETFCG---
3D9R Chain:A ((4-135))
--KIFNEELAVIEAAAIAYLTAFNRAD-IPAVIATYTDDGVLMGPGRPAAVGKDELAEVYLSVFETVGFDMAYEIKEVVQTSADWAFVRSATEGTETNKATGVVTPAAYQELFLLRKSATGS--WQTARYCTSKISP
General information:
TITO was launched using:
RESULT:
Template:
3D9R.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -23155 for 852 contacts (-27.2/contact) +
2D Compatibility (PS) -12773 + (NN) -2109 + (LL) 672
1D Compatibility (HY) -400 + (ID) 1000
Total energy: -38765.0 ( -45.50 by residue)
QMean score : 0.121
(partial model without unconserved sides chains):
PDB file :
Tito_3D9R.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-3D9R-query.scw
PDB file :
Tito_Scwrl_3D9R.pdb
: