Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MRALLFLALVGAAVAFPVDDDDKIVGGYTCQENSVPYQVSLNSGYHFCGGSLINDQWVVSAAHCYKSRIQVRLGEHNINVLEGNEQFVNAAKIIKHPNFDRKTLNNDIMLIKLSSPVKLNARVATVALPSSCAPAGTQCLISGWGNTLSSGVNEPDLLQCLDAPLLPQADCEASYPGKITDNMVCVGFLEGGKDSCQGDSGGPVVCNGELQGIVSWGYGCALPDNPGVYTKVCNYVDWIQDTIAAN
2BY9 Chain:X ((21-243))
-----------------------IVGGYTCGANTVPYQVSLNSGYHFCGGSLINSQWVVSAAHCYKSGIQVRLGEDNINVVEGNEQFISASKSIVHPSYNSNTLNNDIMLIKLKSAASLNSRVASISLPTSCASAGTQCLISGWGNTKSSGTSYPDVLKCLKAPILSDSSCKSAYPGQITSNMFCAGYLEGGKDSCQGDSGGPVVCSGKLQGIVSWGSGCAQKNKPGVYTKVCNYVSWIKQTIASN
General information:
TITO was launched using:
RESULT:
Template:
2BY9.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -158710 for 1943 contacts (-81.7/contact) +
2D Compatibility (PS) -24346 + (NN) -10168 + (LL) 2020
1D Compatibility (HY) -27200 + (ID) 8250
Total energy: -226654.0 ( -116.65 by residue)
QMean score : 0.814
(partial model without unconserved sides chains):
PDB file :
Tito_2BY9.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-2BY9-query.scw
PDB file :
Tito_Scwrl_2BY9.pdb
: