Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MARPLAMIAALGENRAIGIDNRLPWRLPADLKHFKAMTLGKPVIMGRKTWDSLGRPLPGRLNLVVSRQAGLALEGAEVFASLDAALARAEAWAQAEDADELMLIGGAQLYAEALPRAARLYLTRVGLAPEGDAFFPEIDGAAWRLASSIEHAAADDAPAYAFEVWERR
3TQ8 Chain:A ((3-159))
----ITLIAAMDKNRLIGRNNELPWHLPADLAHFKSITLGKPIVMGRRTFDSIGKPLPHRRNIVITQQKNLIIEGCDIFYSLDDAL------SALTKEPEVIIIGGARIFKEALPKADKMILTIINHSFEGDVYFPEWNDKEWKITSQIKHERD--NP-YPFQFLELR
General information:
TITO was launched using:
RESULT:
Template:
3TQ8.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -107628 for 1160 contacts (-92.8/contact) +
2D Compatibility (PS) -16460 + (NN) -3024 + (LL) 1096
1D Compatibility (HY) -18000 + (ID) 3700
Total energy: -147716.0 ( -127.34 by residue)
QMean score : 0.525
(partial model without unconserved sides chains):
PDB file :
Tito_3TQ8.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-3TQ8-query.scw
PDB file :
Tito_Scwrl_3TQ8.pdb
: