Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MSDPAEVPTASPLLETVGLACERDWRMLFERLDLRLAAGEMLQVVGPNGSGKTSLLRLLSGLMQPTAGEVRLNGRPLAEQRGEL---ARSLLWIGHAAGIKGLLSAEENLTWLCALHQ---PASREAIWQALADVGLRGFEDVPCHTLSAGQQRRVALARLYLDAPPLWILDEPFTALDKQGVAQL-ETHLAGHCQRGGMVVLTTHHSLQQVPAGYRELDLGALKAASGATVEPALGDPA
3FVQ Chain:A ((19-197))
---------------------------VLNDISLSLDPGEILFIIGASGCGKTTLLRCLAGFEQPDSGEISLSGKTIFSKNTNLPVRERRLGYLVQEGVLFPHLTVYRNIAYGLGNGKGRTAQERQRIEAMLELTGISELAGRYPHELSGGQQQRAALARALAPDPELILLDEPFSALDEQLRRQIREDMIAALRANGKSAVFVSHDREEALQYADRIAVMKQGRILQTASPHELYRQPA
General information:
TITO was launched using:
RESULT:
Template:
3FVQ.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -100604 for 1242 contacts (-81.0/contact) +
2D Compatibility (PS) -18741 + (NN) -10098 + (LL) 1788
1D Compatibility (HY) -10800 + (ID) 2900
Total energy: -141355.0 ( -113.81 by residue)
QMean score : 0.472
(partial model without unconserved sides chains):
PDB file :
Tito_3FVQ.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-3FVQ-query.scw
PDB file :
Tito_Scwrl_3FVQ.pdb
: