Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MTIAKMIDHTALKPDTTKEQILTLTKEAREYGFASVCVNPTWVKLSAEQLAGAESVVCTVIGFPLGANTPEVKAFEVKDAIQNGAKEVDMVINIGALKDKDDELVERDIRAVVDVAKGKALVKVIIETCLL---TDEEK-VRACEIAVKAGTDFVKTSTGFS-TGGATAEDIALMRKTVGPNIGVKASGGVRTKEDVEKMIEAGATRIGASAGVAIVSGEKPAKPDNY
3NG3 Chain:C ((12-225))
--LAAFVDHTLLKPEATAADVAALVTEAAELGVYAVCVSPPMVPAAVQ--AGAGVRVASVAGFPSGKHVSAVKAHEAALAVASGAAEIDMVIDVGAALAGDLDGVRADIAAVRG-AVGGAVLKVIVESSALLALADEHTLVRVCRAAEDAGADFVKTSTGFHPSGGASVRAVALMAEAVGGRLGVKASGGIRTAADALAMLDAGATRLGLSGTRAVLDG---------
General information:
TITO was launched using:
RESULT:
Template:
3NG3.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -112869 for 1906 contacts (-59.2/contact) +
2D Compatibility (PS) -23765 + (NN) -16203 + (LL) 780
1D Compatibility (HY) -12800 + (ID) 5000
Total energy: -169857.0 ( -89.12 by residue)
QMean score : 0.530
(partial model without unconserved sides chains):
PDB file :
Tito_3NG3.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-3NG3-query.scw
PDB file :
Tito_Scwrl_3NG3.pdb
: