Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MDILKAEHLNKQIKKTKIVSDVSLEVKSGEVVGLLGPNGAGKTTTFYMICGLLEPSGGSVYLNDVDLAKYPLHKRSNLGIGYLPQESSIFKELSVEENL-ALAGESTFKNSKESEEKMESLLDAFNIQAIRERKGMSLSGGERRRVEIARALMKNPKFVLLDEPFAGVDPIAVIDIQRIIESLIGLNIGVLITDHNVRETLSVCHRAYVIKSGTLLASGNANEIYENALVRKYYLGENFKV
4QC2 Chain:B ((2-236))
-ATLTAKNLAKAYKGRRVVEDVSLTVNSGEIVGLLGPNGAGKTTTFYMVVGIVPRDAGNIIIDDDDISLLPLHARARRGIGYLPQEASIFRRLSVYDNLMAVLQIRDDLSAEQREDRANELMEEFHIEHLRDSMGQSLSGGERRRVEIARALAANPKFILLDEPFAGVDPISVIDIKRIIEHLRDSGLGVLITDHNVRETLAVCERAYIVSQGHLIAHGTPTEILQDEHVKRVYLG-----
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) -136753 for 1855 contacts (-73.7/contact) +
2D Compatibility (PS) -25291 + (NN) -6025 + (LL) 620
1D Compatibility (HY) -26000 + (ID) 6550
Total energy: -199999.0 ( -107.82 by residue)
QMean score : 0.500
(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
: