Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MIREILKMGDERLLRIAQPVPSELFGSEELQRLIDDMFETMHHVGGVGLAAPQIGVDLQLVIFGFERSERYPDAPAVPPTILLNPRVTPLDDEMEEGWEGCLSVPGLRGAVSRHRRIRYQGLDPQDSRSTAASKGSMRGWCSTSATT
1SZZ Chain:A ((2-135))
-VRKILRMGDPILRKISEPVTEDEIQTKEFKKLIRDMFTTMRHAEGVGLAAPQIGILKQIVVVGSEDNERYPGTPDVPERIILNPVITPLTKDTSGFWEGCLSVPGMRGYVERPNQIRMQWMDEKGNQFDETIDGYKAIVYQHECDH
General information:
TITO was launched using:
RESULT:
Template:
1SZZ.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -52185 for 847 contacts (-61.6/contact) +
2D Compatibility (PS) -14234 + (NN) -5289 + (LL) 208
1D Compatibility (HY) -12800 + (ID) 3250
Total energy: -87550.0 ( -103.36 by residue)
QMean score : 0.639
(partial model without unconserved sides chains):
PDB file :
Tito_1SZZ.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-1SZZ-query.scw
PDB file :
Tito_Scwrl_1SZZ.pdb
: