Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MSVGEGPDTKPTARGQPAAVGRVVVLSGPSAVGKSTVVRCLRERIPN-LHFSVSATTRAPRPGEVDGVDYHFIDPTRFQQLIDQGELLEWAEIHGGLHRSGTLAQPVRAAAATGVPVLIEVDLAGARAIKKTMPE--AVTVFLAPPSWQDLQARLIGRGTETADVIQRRLDTARIELAA--QGDFDKVVVNRRLESACAELVSLLVGTAPGSP
1GKY Chain:A ((2-183))
---------------------RPIVISGPSGTGKSTLLKKLFAEYPDSFGFSVSSTTRTPRAGEVNGKDYNFVSVDEFKSMIKNNEFIEWAQFSGNYY--GSTVASVKQVSKSGKTCILDIDMQGVKSV-KAIPELNARFLFIAPPSVEDLKKRLEGRGTETEESINKRLSAAQAELAYAETGAHDKVIVNDDLDKAYKELKDFIF-------
General information:
TITO was launched using:
RESULT:
Template:
1GKY.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -98173 for 1290 contacts (-76.1/contact) +
2D Compatibility (PS) -20114 + (NN) -10605 + (LL) -16
1D Compatibility (HY) -14400 + (ID) 3800
Total energy: -147108.0 ( -114.04 by residue)
QMean score : 0.641
(partial model without unconserved sides chains):
PDB file :
Tito_1GKY.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-1GKY-query.scw
PDB file :
Tito_Scwrl_1GKY.pdb
: