Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MRALLFLALVGAAVAFPVDDDDKIVGGYTCQENSVPYQVSLNSGYHFCGGSLINDQWVVSAAHCYKSRIQVRLGEHNINVLEGNEQFVNAAKIIKHPNFDRKTLNNDIMLIKLSSPVKLNARVATVALPSSCAPAGTQCLISGWGNTLSSGVNEPDLLQCLDAPLLPQADCEASYPGKITDNMVCVGFLEGGKDSCQGDSGGPVVCNGELQGIVSWGYGCALPDNPGVYTKVCNYVDWIQDTIAAN
2BY8 Chain:X ((21-243))
-----------------------IVGGYTCGANTVPYQVSLNSGYHFCGGSLINSQWVVSAAHCYKSGIQVRLGEDNINVVEGNEQFISASKSIVHPSYNSNTLNNDIMLIKLKSAASLNSRVASISLPTSCASAGTQCLISGWGNTKSSGTSYPDVLKCLKAPILSDSSCKSAYPGQITSNMFCAGYLEGGKDSCQGDSGGPVVCSGKLQGIVSWGSGCAQKNKPGVYTKVCNYVSWIKQTIASN
General information:
TITO was launched using:
RESULT:
Template:
2BY8.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -160848 for 1939 contacts (-83.0/contact) +
2D Compatibility (PS) -24346 + (NN) -10168 + (LL) 2020
1D Compatibility (HY) -27200 + (ID) 8250
Total energy: -228792.0 ( -117.99 by residue)
QMean score : 0.824
(partial model without unconserved sides chains):
PDB file :
Tito_2BY8.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-2BY8-query.scw
PDB file :
Tito_Scwrl_2BY8.pdb
: