Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MIDRPLEGKVAFITGAARGLGRAHAVRLAADGANIIAVDICEQIASVPYPLSTADDLAATVELVEDAGGGIVARQGDVRDRASLSVALQAGLDEFGRLDIVVANAGIAMMQAGDDGWRDVIDVNLTGVFHTVQVAIPTLIEQGTGGSIVLISSAAGLVGIGSSDPGSLGYAAAKHGVVGLMRAYANHLAPQNIRVNSVHPCGVDTPMINNEFFQQWLTTADMDAPHNLGNALPVELVQPTDIANAVAWLASEEARYVTGVTLPVDAGFVNKR
3SX2 Chain:E ((10-278))
----PLTGKVAFITGAARGQGRAHAVRLAADGADIIAVDLCDQIASVPYPLATPEELAATVKLVEDIGSRIVARQADVRDRESLSAALQAGLDELGRLDIVVANAGIAPMSAGDDGWHDVIDVNLTGVYHTIKVAIPTLVKQGTGGSIVLISSSAGLAGVGSADPGSVGYVAAKHGVVGLMRVYANLLAGQMIRVNSIHPSGVETPMINNEFTREW------------GNAMPVEVLAPEDVANAVAWLVSDQARYITGVTLPVDAGFLNK-
General information:
TITO was launched using:
RESULT:
Template:
3SX2.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -192736 for 2318 contacts (-83.1/contact) +
2D Compatibility (PS) -26656 + (NN) -6011 + (LL) 1160
1D Compatibility (HY) -30000 + (ID) 10150
Total energy: -264393.0 ( -114.06 by residue)
QMean score : 0.572
(partial model without unconserved sides chains):
PDB file :
Tito_3SX2.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-3SX2-query.scw
PDB file :
Tito_Scwrl_3SX2.pdb
: