Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MLTIDYNSYRTTTPYGKRVRFLVLHYTALDFAASVKALTTGAASAHYLIPAPHDPSYKAAGFKGQRIFNLVAEEDRAWHAGVSGWARRDNLNDTSIGIEIVNLARDD--DGVFTFPDYERSQINALKQLAKNILQRYPDMTPKNVVGHSDIAVGRKSDPGPKLPWKELYEAGIGAWYDDATRDRYREGFERDG-LPPRADLLEAFRLYGYALPATVD-DAYFASLLRAFQMHFRPENYDGALDVETAAILYALNEKYPA
4BPA Chain:A ((23-256))
-LNTDYTSANQDS----RVQFIVLHYTSTDLPHSLGILTHGGVSAHYLI-GDDEPAT---------VYRLVDENRRAWHAGVSEWQGRTWLNATSIGIEIVNQGYRDTPQGRVWYP-FSEAQIQALIPLLKDIAKRH-GITPDRIIGHSDIAPGRKVDPGPLFPWKRLADAGLVPWPKPG--ELARRLAELNGQLPDVRWFQQQLARHGYLVPQTGELEKDTRDVIGAFQMKYRPARFDGEPDLETAALLLAVPTS---
General information:
TITO was launched using:
RESULT:
Template:
4BPA.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -104346 for 1807 contacts (-57.7/contact) +
2D Compatibility (PS) -25326 + (NN) -16479 + (LL) 360
1D Compatibility (HY) -15200 + (ID) 5250
Total energy: -166241.0 ( -92.00 by residue)
QMean score : 0.528
(partial model without unconserved sides chains):
PDB file :
Tito_4BPA.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-4BPA-query.scw
PDB file :
Tito_Scwrl_4BPA.pdb
: