Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MIDRPLEGKVAFITGAARGLGRAHAVRLAADGANIIAVDICEQIASVPYPLSTADDLAATVELVEDAGGGIVARQGDVRDRASLSVALQAGLDEFGRLDIVVANAGIAMMQAGDDGWRDVIDVNLTGVFHTVQVAIPTLIEQGTGGSIVLISSAAGLVGIGSSDPGSLGYAAAKHGVVGLMRAYANHLAPQNIRVNSVHPCGVDTPMINNEFFQQWLTT--ADMDAPHNLGNALPVELVQPTDIANAVAWLASEEARYVTGVTLPVDAGFVNKR
3SX2 Chain:G ((10-278))
----PLTGKVAFITGAARGQGRAHAVRLAADGADIIAVDLCDQIASVPYPLATPEELAATVKLVEDIGSRIVARQADVRDRESLSAALQAGLDELGRLDIVVANAGIAPMSAGDDGWHDVIDVNLTGVYHTIKVAIPTLVKQGTGGSIVLISSSAGLAGVGSADPGSVGYVAAKHGVVGLMRVYANLLAGQMIRVNSIHPSGVETPMINNEFTREWLAKMAAAT---GAMGNAMPVEVLAPEDVANAVAWLVSDQARYITGVTLPVDAGFLNK-
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) -200766 for 2387 contacts (-84.1/contact) +
2D Compatibility (PS) -27538 + (NN) -6082 + (LL) 464
1D Compatibility (HY) -30400 + (ID) 10250
Total energy: -274572.0 ( -115.03 by residue)
QMean score : 0.567
(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
: