Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
---------MHSTPKRVLLAGATGLTGEHLLDRILSEPTLAKVIAPARKALAEHPRLDNPVGPL------AELLPQLDGSIDTAFCCLGTTIKEAGSEEAFRAVDFDLPLAVGKRALEMGARHYLVVSALGADAKSSIFYNRVKGELEQALQEQGWPQLTIARPSLLFGPREEFRLAEILAAPIARILPG---KYHGIEACDLARALWRLALEEGKGVRFVE-SDELRKLGK
2BKA Chain:A ((5-235))
EALSKLREDFRMQNKSVFILGASGETGRVLLKEILEQGLFSKVTLIGRRKLTFDEEAYKNVNQEVVDFEKLDDYASAFQGHDVGFCCLGTTRGKAG-AEGFVRVDRDYVLKSAELAKAGGCKHFNLLSSKGADKSSNFLYLQVKGEVEAKVEELKFDRYSVFRPGVLLCDRQESRPGEWLVRKFFGSLPDSWASGHSVPVVTVVRAMLNNVVRPRDKQMELLENKAIHDLGK
General information:
TITO was launched using:
RESULT:
Template:
2BKA.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -94123 for 1657 contacts (-56.8/contact) +
2D Compatibility (PS) -23239 + (NN) -11948 + (LL) -28
1D Compatibility (HY) -11200 + (ID) 3150
Total energy: -143688.0 ( -86.72 by residue)
QMean score : 0.405
(partial model without unconserved sides chains):
PDB file :
Tito_2BKA.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-2BKA-query.scw
PDB file :
Tito_Scwrl_2BKA.pdb
: