Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MSRPILEVSGLTMRFGGLLAVNGVNLKVEEKQVVSMIGPNGAGKTTVFNCLTGFYQPTGGLIRLDGEEIQGLPGHKIARKGVVRTFQNVRLFKEMTAVENLL-VAQHRHLNTNFLAGLFKTPAFRRSEREAMEYAAHWLEEVNLTEFANRSAGTLAYGQQRRLEIARCMMTRPRILMLDEPAAGLNPKETDDLKALIAKLRSEHNVTVLLIEHDMKLVMSISDHIVVINQGAPLADGTPEQIRDNPDVIKAYLGEA
4QC2 Chain:A ((4-236))
-----LTAKNLAKAYKGRRVVEDVSLTVNSGEIVGLLGPNGAGKTTTFYMVVGIVPRDAGNIIIDDDDISLLPLHARARRGIGYLPQEASIFRRLSVYDNLMAVLQIRD----------DLSAEQREDR-----ANELMEEFHIEHLRDSMGQSLSGGERRRVEIARALAANPKFILLDEPFAGVDPISVIDIKRIIEHLR-DSGLGVLITDHNVRETLAVCERAYIVSQGHLIAHGTPTEILQDEHVKRVYLG--
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) -135119 for 1868 contacts (-72.3/contact) +
2D Compatibility (PS) -25706 + (NN) -11783 + (LL) 1872
1D Compatibility (HY) -16800 + (ID) 3850
Total energy: -191386.0 ( -102.46 by residue)
QMean score : 0.546
(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
: