Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MALVEVEHLTGGYTKRPVLKDISFAIEEKQIVGLIGLNGAGKSTTIKHITGLMHPKQGTIKINNH--QLVEDTETYRKQFSYIPETPVLYEELTLKEHL-ELTGMAYGISEEELHARMTPLLKEFRLEKKLNWFPAHFSKGMKQKVMIMSAFLIEPKLYIIDEPFVGLDPLGIQSLLNWMDEMRSKGASILMSTHILATAEKYCDTFIIIHQGEIRAEGTLKDLQTNFEMPGASLDEIYIQLTKEEEADEDDI
4QC2 Chain:A ((2-220))
-ATLTAKNLAKAYKGRRVVEDVSLTVNSGEIVGLLGPNGAGKTTTFYMVVGIVPRDAGNIIIDDDDISLLPLHARARRGIGYLPQEASIFRRLSVYDNLMAVLQIRDDLSAEQREDRANELMEEFHIEHLRDSMGQSLSGGERRRVEIARALAANPKFILLDEPFAGVDPISVIDIKRIIEHLRDSGLGVLITDHNVRETLAVCERAYIVSQGHLIAHGT---------------------------------
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) -128904 for 1708 contacts (-75.5/contact) +
2D Compatibility (PS) -23419 + (NN) -7269 + (LL) 2540
1D Compatibility (HY) -17200 + (ID) 3050
Total energy: -177302.0 ( -103.81 by residue)
QMean score : 0.524
(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
: