Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MSDPAEVPTASPLLETVGLACERDWRMLFERLDLRLAAGEMLQVVGPNGSGKTSLLRLLSGLMQPTAGEVRLNGRPLAEQRGELARSLLWIGHAAGIKGLLSAEENLTWLCALHQPASREAIWQALADVGLRGFE------DVPCHTLSAGQQRRVALARLYLDAPPLWILDEPFTALDKQGVAQLETHLAGHCQRGGMVVLTTHHSLQQVPAGYRELDLGALKAASGATVEPALGDPA
4RVC Chain:A ((3-192))
------------LLEVKDLSGGYTAQNVLEDVTFVVDRGEMVALIGLNGAGKSTTIKHIIGLMEPRRGAISINGYRLADGPETYRRQFAYIPETPVLYEELTLEEHLR-LAAMAYGLS-EAEYERRLPPLLREFRLERRLSSFPAH-FSKGMKQKVMIVCAFLLEPPLYIIDEPFLGLDPLAIHALLERMNEQKAKGAGILLSTHILATAERYCDSFVILHNGRVKAKGTLDDIRRQFG
General information:
TITO was launched using:
RESULT:
Template:
4RVC.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -117402 for 1379 contacts (-85.1/contact) +
2D Compatibility (PS) -20129 + (NN) -13272 + (LL) 600
1D Compatibility (HY) -13200 + (ID) 2850
Total energy: -166253.0 ( -120.56 by residue)
QMean score : 0.536
(partial model without unconserved sides chains):
PDB file :
Tito_4RVC.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-4RVC-query.scw
PDB file :
Tito_Scwrl_4RVC.pdb
: