Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MIDRPLEGKVAFITGAARGLGRAHAVRLAADGANIIAVDIC-EQIASVPYPLSTADDLAATVELVEDAGGGIVARQGDVRDRASLSVALQAGLDEFGRLDIVVANAGIAMMQAGDDGWRDVIDVNLTGVFHTVQVAIPTLIEQGTGGSIVLISSAAGLVGIGSSDPGSLGYAAAKHGVVGLMRAYANHLAPQNIRVNSVHPCGVDTPMINNEFFQQWLT-TADMDAPH-NLGNALPVELVQPTDIANAVAWLASEEARYVTGVTLPVDAGFVNKR
3SX2 Chain:A ((9-278))
---GPLTGKVAFITGAARGQGRAHAVRLAADGADIIAVDLCDQIA-SVPYPLATPEELAATVKLVEDIGSRIVARQADVRDRESLSAALQAGLDELGRLDIVVANAGIAPMSAGDDGWHDVIDVNLTGVYHTIKVAIPTLVKQGTGGSIVLISSSAGLAGVGSADPGSVGYVAAKHGVVGLMRVYANLLAGQMIRVNSIHPSGVETPMINNEFTREWLAKMAAATD--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) -192489 for 2396 contacts (-80.3/contact) +
2D Compatibility (PS) -27709 + (NN) -6272 + (LL) 484
1D Compatibility (HY) -29600 + (ID) 10100
Total energy: -265686.0 ( -110.89 by residue)
QMean score : 0.608
(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
: