Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MQNETASHGINFDALGRDRQSLDLASESVELEVPGLNLFYGAKQALFDVRMNIPKQRVTAFIGPSGCGKSTLLRCFNRMNDLVDGCRVEGEIRLDGHNIFAKGVDVAELRRRVGMVFQKPNPFPK-SIYENVVYGLRIQGINKKRVLDEA--VEWALKGAALWEEVKDRLHESALGLSGGQQQRLVIARTIAVEPEVLLLDEPCSALDPISTLKI-EELIYELKSKF-TIVIVTHNMQQAARVSDYTAFMYMGKLIEFGDTDTLFTNPAKKQTEDYITGRYG
3FVQ Chain:B ((20-231))
---------------------------------------------LNDISLSLDPGEILFIIGASGCGKTTLLRCLAGFEQ-----PDSGEISLSGKTIFSKNTNLPVRERRLGYLVQEGVLFPHLTVYRNIAYGL---GNGKGRTAQERQRIEAMLELTGISELAGRYPHE----LSGGQQQRAALARALAPDPELILLDEPFSALDEQLRRQIREDMIAALRANGKSAVFVSHDREEALQYADRIAVMKQGRILQTASPHELYRQPA-------------
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) -129064 for 1567 contacts (-82.4/contact) +
2D Compatibility (PS) -22491 + (NN) -10469 + (LL) 3900
1D Compatibility (HY) -11600 + (ID) 3950
Total energy: -173674.0 ( -110.83 by residue)
QMean score : 0.438
(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
: