Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MSFLDKELVNLHGSAKNADEAIVQAGELLVNAGYVSEQYVEKMVESYHENGAYFVIAPQIAIPHAR---PTDGVENSAVSLVVLKDGVNFG-HAANDPVRLVFGLAATSSEAHLKVIQKIVSLLSNNDNIEKMIHSEDYQAIGELVEG--
1A3A Chain:A ((4-148))
LFKLGAENIFLGRKAATKEEAIRFAGEQLVKGGYVEP-EYVQAMLDREKLTP-TYLGESIAVPHG-TVEAKDRVLKTGVVFCQYPEGVRF-GEEEDDIARLVIGIAARNN-EHIQVITSLTNALDDESVIERLAHTTSVDEVLELLAGRK
General information:
TITO was launched using:
RESULT:
Template:
1A3A.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -117948 for 1108 contacts (-106.5/contact) +
2D Compatibility (PS) -14988 + (NN) -5483 + (LL) 244
1D Compatibility (HY) -9600 + (ID) 2100
Total energy: -149875.0 ( -135.27 by residue)
QMean score : 0.642
(partial model without unconserved sides chains):
PDB file :
Tito_1A3A.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-1A3A-query.scw
PDB file :
Tito_Scwrl_1A3A.pdb
: