Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MIDRPLEGKVAFITGAARGLGRAHAVRLAADGANIIAVDICEQIASVPYPLSTADDLAATVELVEDAGGGIVARQGDVRDRASLSVALQAGLDEFGRLDIVVANAGIAMMQAGDDGWRDVIDVNLTGVFHTVQVAIPTLIEQGTGGSIVLISSAAGLVGIGSSDPGSLGYAAAKHGVVGLMRAYANHLAPQNIRVNSVHPCGVDTPMINNEFFQQWLTT--ADMDAPHNLGNALPVELVQPTDIANAVAWLASEEARYVTGVTLPVDAGFVNKR
3SX2 Chain:F ((10-278))
----PLTGKVAFITGAARGQGRAHAVRLAADGADIIAVDLCDQIASVPYPLATPEELAATVKLVEDIGSRIVARQADVRDRESLSAALQAGLDELGRLDIVVANAGIAPMSAGDDGWHDVIDVNLTGVYHTIKVAIPTLVKQGTGGSIVLISSSAGLAGVGSADPGSVGYVAAKHGVVGLMRVYANLLAGQMIRVNSIHPSGVETPMINNEFTREWLAKMAAATDTPGAMGNAMPVEVLAPEDVANAVAWLVSDQARYITGVTLPVDAGFLNK-
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) -204578 for 2419 contacts (-84.6/contact) +
2D Compatibility (PS) -27901 + (NN) -6669 + (LL) 536
1D Compatibility (HY) -30400 + (ID) 10350
Total energy: -279362.0 ( -115.49 by residue)
QMean score : 0.584
(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
: