Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MGLMKFQLFIQPKLDVLQGN-IVEYEILLRDDS-A-VPRFPLSELEAVLADEELYLAFSEWFSEAFLDVLK--KYPNDRFAINIAPQQLFYIETLHWLD----KLKSESHRITVEMTEDIFDVPGHKRHLNANDKNAFILNKIKVIHGLGYHIAIDDVSCGLNSLERVMSYLPYIIEIKFSLIHFKNIPLEDLLLFIKAWANFAQKNKLDFVVEGIETKETMTLLESHGVSIFQGYLVNKPFPV
3PJX Chain:A ((203-429))
LNQRRFELFFQPVVAAQDTQLVLHYKVLSRLLDEQGQTIPAGRFLPWLER----FGWTARLDRLMLERVLEQMAGHEESLALNLSSATLADPQALNKVFEILRAHSNLGARLTLEIGEEQLP--------E-Q---AVLEQLTRRLRELGFSLSLQRFGGRFSMIGNLARLGLAYLKIDGSYIRAIDQE-SDKRLFIEAIQRAAHSIDLPLIAERVETEGELSVIREMGLYGVQGQLFGEPKPW
General information:
TITO was launched using:
RESULT:
Template:
3PJX.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -144201 for 1674 contacts (-86.1/contact) +
2D Compatibility (PS) -23046 + (NN) -7762 + (LL) 844
1D Compatibility (HY) -9600 + (ID) 2050
Total energy: -185815.0 ( -111.00 by residue)
QMean score : 0.546
(partial model without unconserved sides chains):
PDB file :
Tito_3PJX.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-3PJX-query.scw
PDB file :
Tito_Scwrl_3PJX.pdb
: