Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MKATGIVRRIDDLGRVVIPKEIRRTLRIREGDPLEIFVDRDGEVILKKYSPISELGDFAKEYADALYDSLGHSVLICDRDVYIAVSGSSKKDYLNKSISEMLERTMDQRSSVLES-DAKSVQLVNGIDEDMNSYTVGPIVANGDPIGAVVIFSKDQTMGEVEHKAVETAAGFLARQMEQ
2W1R Chain:A ((57-173))
--------------------------------------------------------DFAKEYADALYDSLGHSVLICDRDVYIAVSGSSKKDYLNKSISEMLERTMDQRSSVLESDAKSVQL-VNGIDEDMNSYTVGPIVANGDPIGAVVIFSKDQTMGEVEHKAVETAAGFLA-----
General information:
TITO was launched using:
RESULT:
Template:
2W1R.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -75994 for 953 contacts (-79.7/contact) +
2D Compatibility (PS) -12937 + (NN) -7008 + (LL) 4840
1D Compatibility (HY) -14800 + (ID) 5500
Total energy: -111399.0 ( -116.89 by residue)
QMean score : 0.769
(partial model without unconserved sides chains):
PDB file :
Tito_2W1R.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-2W1R-query.scw
PDB file :
Tito_Scwrl_2W1R.pdb
: