Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MHPLLILAFVGAAVAFPSDDDDKIVGGYTCAENSVPYQVSLNAGYHFCGGSLINDQWVVSAAHCYQYHIQVRLGEYNIDVLEGGEQFIDASKIIRHPKYSSWTLDNDILLIKLSTPAVINARVSTLLLPSACASAGTECLISGWGNTLSSGVNYPDLLQCLVAPLLSHADCEASYPGQITNNMICAGFLEGGKDSCQGDSGGPVACNGQLQGIVSWGYGCAQKGKPGVYTKVCNYVDWIQETIAANS
2BYA Chain:X ((21-243))
-----------------------IVGGYTCGANTVPYQVSLNSGYHFCGGSLINSQWVVSAAHCYKSGIQVRLGEDNINVVEGNEQFISASKSIVHPSYNSNTLNNDIMLIKLKSAASLNSRVASISLPTSCASAGTQCLISGWGNTKSSGTSYPDVLKCLKAPILSDSSCKSAYPGQITSNMFCAGYLEGGKDSCQGDSGGPVVCSGKLQGIVSWGSGCAQKNKPGVYTKVCNYVSWIKQTIASN-
General information:
TITO was launched using:
RESULT:
Template:
2BYA.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -172598 for 1942 contacts (-88.9/contact) +
2D Compatibility (PS) -24183 + (NN) -9193 + (LL) 1460
1D Compatibility (HY) -26000 + (ID) 8250
Total energy: -238764.0 ( -122.95 by residue)
QMean score : 0.541
(partial model without unconserved sides chains):
PDB file :
Tito_2BYA.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-2BYA-query.scw
PDB file :
Tito_Scwrl_2BYA.pdb
: