Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MNLQENKTAIFDNVSKLALKAGRAPESVHIVAVTKYVNCQTTEALIRTGVNHIGENRVDKFLEKYQALKDEKLTWHLIGSLQRRKVKDVINYVDYF--HALDSVKLAAEIQKRAQK------PVKCFLQVNISREDSKHGFT-----IEQIDDALNLISRYDKIELIGIMTMAPLKATKEEI-SSIFEETESLRKRLQARNIERMPFTELSMGMSRDYDIAIQNGSTFVRIGTSFFK
1B54 Chain:A ((44-245))
-----------------------------LLVVSKLKPASDIQILYDHGVREFGENYVQELIEKAKLLPDD-IKWHFIGGLQTNKCKDLAKVPNLYSVETIDSLKKAKKLNESRAKFQPDCNPILCNVQINTSHEDQKSGLNNEAEIFEVIDFFLSEECKY--IKLNGLMTIGSW-------ENRDFATLVEWKKKIDAKFGTSL---KLSMGMSADFREAIRQGTAEVRIGTDIFG
General information:
TITO was launched using:
RESULT:
Template:
1B54.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -97797 for 1436 contacts (-68.1/contact) +
2D Compatibility (PS) -19546 + (NN) -4707 + (LL) 2896
1D Compatibility (HY) -15200 + (ID) 3250
Total energy: -137604.0 ( -95.82 by residue)
QMean score : 0.471
(partial model without unconserved sides chains):
PDB file :
Tito_1B54.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-1B54-query.scw
PDB file :
Tito_Scwrl_1B54.pdb
: