Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MPADGEAARRADLLKAFLAQRQRMESLVSRWVGCRATAADLVQELFLRFWRRPAA--PVEELGSYLLRSARNLAIDHLRGEGSRQRQLDDWLPEQRQGEPVGPEQALEAGDQWRRVEAALRGLPERTRRIFLLNRIHGRTYAEIAQAMQLSQSAVEKHMMRALDACKASLAGPAGEQARSAQP
3N0R Chain:A ((20-162))
---------EMHLLARLAPHLPYIRRYARALTGDQATGDHYVRVALEALAAGELVLDANLSPRVALYRVFHAIWLSSGA----GHDQG---------------------LHAGDDAAQRLMRIAPRSRQAFLLTALEGFTPTEAAQILDCDFGEVERLIGDAQAEIDAELATEVLIIEDEPVI
General information:
TITO was launched using:
RESULT:
Template:
3N0R.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -58946 for 995 contacts (-59.2/contact) +
2D Compatibility (PS) -14870 + (NN) -8588 + (LL) 1136
1D Compatibility (HY) -2800 + (ID) 1300
Total energy: -85368.0 ( -85.80 by residue)
QMean score : 0.525
(partial model without unconserved sides chains):
PDB file :
Tito_3N0R.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-3N0R-query.scw
PDB file :
Tito_Scwrl_3N0R.pdb
: