Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MARPLAMIAALGENRAIGIDNRLPWRLPADLKHFKAMTLGKPVIMGRKTWDSLGRPLPGRLNLVVSRQAGLALEGAEVFASLDAALARAEAWAQAEDADELMLIGGAQLYAEALPRAARLYLTRVGLAPEGDAFFPEIDGAAWRLASSIEHAAADDAPAYAFEVWERR
3TQB Chain:A ((3-159))
----ITLIAAMDKNRLIGRNNELPWHLPADLAHFKSITLGKPIVMGRRTFDSIGKPLPHRRNIVITQQKNLIIEGCDIFYSLDDAL------SALTKEPEVIIIGGARIFKEALPKADKMILTIINHSFEGDVYFPEWNDKEWKITSQIKH----------FQFLELR
General information:
TITO was launched using:
RESULT:
Template:
3TQB.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -105979 for 1074 contacts (-98.7/contact) +
2D Compatibility (PS) -15451 + (NN) 265 + (LL) 1768
1D Compatibility (HY) -17600 + (ID) 3600
Total energy: -140597.0 ( -130.91 by residue)
QMean score : 0.525
(partial model without unconserved sides chains):
PDB file :
Tito_3TQB.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-3TQB-query.scw
PDB file :
Tito_Scwrl_3TQB.pdb
: