Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MDNALVRLTQVGVSFNGQAVLSDVDLAIEPGQIVTLIGPNGAGKTTLVRSVLGLLKPHVGEVWR------------RPRLTIGYMPQKLHVDATLP-----LSVLRFLRLVPGVKRE-QALAALREVGAAHVLERPLQSISGGELQRVLLARALLRKPELLVLDEPVQGVDVAGQAELYRLIGKLRDRYGCGVLMVSHDLHLVMSATDQVVCLNR-HVCCSGHPEQVSGDPAFVELF-GQDARSLAIYHHHHDHAHDLHGEVVKAGPGALPPGTRFTPVHKHGPDCNHG
4QC2 Chain:A ((12-236))
-------------AYKGRRVVEDVSLTVNSGEIVGLLGPNGAGKTTTFYMVVGIVPRDAGNIIIDDDDISLLPLHARARRGIGYLPQEASIFRRLSVYDNLMAVLQIRDDLSAEQREDRANELMEEFHIEHLRDSMGQSLSGGERRRVEIARALAANPKFILLDEPFAGVDPISVIDIKRIIEHLRDS-GLGVLITDHNVRETLAVCERAYIVSQGHLIAHGTPTEILQDEHVKRVYLG--------------------------------------------------
General information:
TITO was launched using:
RESULT:
Template:
4QC2.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -148833 for 1517 contacts (-98.1/contact) +
2D Compatibility (PS) -22360 + (NN) -10455 + (LL) 2576
1D Compatibility (HY) -15200 + (ID) 3550
Total energy: -197822.0 ( -130.40 by residue)
QMean score : 0.624
(partial model without unconserved sides chains):
PDB file :
Tito_4QC2.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-4QC2-query.scw
PDB file :
Tito_Scwrl_4QC2.pdb
: