Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MARPLAMIAALGENRAIGIDNRLPWRLPADLKHFKAMTLGKPVIMGRKTWDSLGRPLPGRLNLVVSRQAGLALEGAEVFASLDAALARAEAWAQAEDADELMLIGGAQLYAEALPRAARLYLTRVGLAPEGDAFFPEIDGAAWRLASSIEHAAADDAPAYAFEVWERR
3TQA Chain:A ((3-159))
----ITLIAAMDKNRLIGRNNELPWHLPADLAHFKSITLGKPIVMGRRTFDSIGKPLPHRRNIVITQQKNLIIEGCDIFYSLDDAL------SALTKEPEVIIIGGARIFKEALPKADKMILTIINHSFEGDVYFPEWNDKEWKITSQIKHERD--NP-YPFQFLELR
General information:
TITO was launched using:
RESULT:
Template:
3TQA.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -106269 for 1140 contacts (-93.2/contact) +
2D Compatibility (PS) -16389 + (NN) -2109 + (LL) 1096
1D Compatibility (HY) -18000 + (ID) 3700
Total energy: -145371.0 ( -127.52 by residue)
QMean score : 0.461
(partial model without unconserved sides chains):
PDB file :
Tito_3TQA.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-3TQA-query.scw
PDB file :
Tito_Scwrl_3TQA.pdb
: