Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MHPLLILAFVGAAVAFPSDDDDKIVGGYTCAENSVPYQVSLNAGYHFCGGSLINDQWVVSAAHCYQYHIQVRLGEYNIDVLEGGEQFIDASKIIRHPKYSSWTLDNDILLIKLSTPAVINARVSTLLLPSACASAGTECLISGWGNTLSSGVNYPDLLQCLVAPLLSHADCEASYPGQITNNMICAGFLEGGKDSCQGDSGGPVACNGQLQGIVSWGYGCAQKGKPGVYTKVCNYVDWIQETIAANS
1LQE Chain:A ((21-243))
-----------------------IVGGYTCGANTVPYQVSLNSGYHFCGGSLINSQWVVSAAHCYKSGIQVRLGEDNINVVEGNEQFISASKSIVHPSYNSNTLNNDIMLIKLKSAASLNSRVASISLPTSCASAGTQCLISGWGNTKSSGTSYPDVLKCLKAPILSDSSCKSAYPGQITSNMFCAGYLEGGKDSCQGDSGGPVVCSGKLQGIVSWGSGCAQKNKPGVYTKVCNYVSWIKQTIASN-
General information:
TITO was launched using:
RESULT:
Template:
1LQE.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -173304 for 1907 contacts (-90.9/contact) +
2D Compatibility (PS) -24238 + (NN) -7789 + (LL) 1460
1D Compatibility (HY) -26000 + (ID) 8250
Total energy: -238121.0 ( -124.87 by residue)
QMean score : 0.538
(partial model without unconserved sides chains):
PDB file :
Tito_1LQE.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-1LQE-query.scw
PDB file :
Tito_Scwrl_1LQE.pdb
: