Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MSALLILALVGAAVAFPLEDDDKIVGGYTCPEHSVPYQVSLNSGYHFCGGSLINDQWVVSAAHCYKSRIQVRLGEHNINVLEGDEQFINAAKIIKHPNYSSWTLNNDIMLIKLSSPVKLNARVAPVALPSACAPAGTQCLISGWGNTLSNGVNNPDLLQCVDAPVLSQADCEAAYPGEITSSMICVGFLEGGKDSCQGDSGGPVVCNGQLQGIVSWGYGCALPDNPGVYTKVCNFVGWIQDTIAAN
2BY6 Chain:X ((21-243))
-----------------------IVGGYTCGANTVPYQVSLNSGYHFCGGSLINSQWVVSAAHCYKSGIQVRLGEDNINVVEGNEQFISASKSIVHPSYNSNTLNNDIMLIKLKSAASLNSRVASISLPTSCASAGTQCLISGWGNTKSSGTSYPDVLKCLKAPILSDSSCKSAYPGQITSNMFCAGYLEGGKDSCQGDSGGPVVCSGKLQGIVSWGSGCAQKNKPGVYTKVCNYVSWIKQTIASN
General information:
TITO was launched using:
RESULT:
Template:
2BY6.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -169234 for 1936 contacts (-87.4/contact) +
2D Compatibility (PS) -24374 + (NN) -11143 + (LL) 2128
1D Compatibility (HY) -26800 + (ID) 8200
Total energy: -237623.0 ( -122.74 by residue)
QMean score : 0.520
(partial model without unconserved sides chains):
PDB file :
Tito_2BY6.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-2BY6-query.scw
PDB file :
Tito_Scwrl_2BY6.pdb
: