Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MTATASDDEAVTALALSAAKGNGRALEAFIKATQQDVWRFVA-YLSDVGSADDLTQETFLRAIGAIPRF-SARSSARTWLLAIARHVVADHIRHVRSRPRTTRGARPEHLIDGDRHARGFEDLVEVTTMIADLTTDQREALLLTQLLGLSYADAAAVCGCPVGTIRSRVARARDALLADAEPDDLTG
4NQW Chain:A ((42-194))
------------------------AFAEFYDHTKSRVYGLVMRVLRDTGYSEETTQEIYLEVWRNASEFDSAKGSALAWLLTMAHRRAVDRVRCE----------------------AG-DERRRVTECLKALTDTQRQCIELAYYGGLTYVEVSRRLAANLSTIKSRM---RDAL-----------
General information:
TITO was launched using:
RESULT:
Template:
4NQW.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -68303 for 791 contacts (-86.4/contact) +
2D Compatibility (PS) -13560 + (NN) -4761 + (LL) 3088
1D Compatibility (HY) -8000 + (ID) 2100
Total energy: -93636.0 ( -118.38 by residue)
QMean score : 0.397
(partial model without unconserved sides chains):
PDB file :
Tito_4NQW.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-4NQW-query.scw
PDB file :
Tito_Scwrl_4NQW.pdb
: