Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MSPATVLDSILEGVRADVAAREASVSLSEIKAAAAAAPPPLDVMAALREPGIGVIAEVKRASPSAGALATIADPAKLAQAYQDGGARIVSVVTEQRRFQGSLDDLDAVRASVSIPVLRKDFVVQPYQIHEARAHGADMLLLIVAALEQSVLVSMLDRTESLGMTALVEVHTEQEADRALKAGAKVIGVNARDLMTLDVDRDCFARIAPGLPSSVIRIAESGVRGTADLLAYAGAGADAVLVGEGLVTSGDPRAAVADLVTAGTHPSCPKPAR
3T40 Chain:A ((5-269))
----TVLDSILEGVRADVAAREASVSLSEIKAAAAAAPPPLDVMAALREPGIGVIAEVKR---------TIADPAKLAQAYQDGGARIVSVVTEQRRFQGSLDDLDAVRASVSIPVLRKDFVVQPYQIHEARAHGADMLLLIVAALEQSVLVSMLDRTESLGMTALVEVHTEQEADRALKAGAKVIGVNAR-----DVDRDCFARIAPGLPSSVIRIAESGVRGTADLLAYAGAGADAVLVGEGLVTSGDPRAAVADLVTAGTHPSCPK---
General information:
TITO was launched using:
RESULT:
Template:
3T40.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -171507 for 2137 contacts (-80.3/contact) +
2D Compatibility (PS) -28042 + (NN) -18054 + (LL) 1208
1D Compatibility (HY) -31600 + (ID) 12550
Total energy: -260545.0 ( -121.92 by residue)
QMean score : 0.617
(partial model without unconserved sides chains):
PDB file :
Tito_3T40.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-3T40-query.scw
PDB file :
Tito_Scwrl_3T40.pdb
: