Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MAEPKYAIIINDIKRLISDGTFKPGEKIYSEDEL-KKKYNVSNTTVVRALHELVRAGILARYQGKGTYVSKSIINEEVIFNEYTTVPNGRFNRKTKITNEHTKVVAINEIQ-DARIAKKLQIP-PENMIVHFQRIRLIDDLPWTVQNNYMAKSNLINVDLTNFEKFNSLSEVIKELYGINILHEAMKERIEVEFPVKDKNNFKLLEIDTELPLYHIERITYVPEGQPYEYIESYLRHNFYSIEIEKKKQ
3BWG Chain:A ((8-236))
------QQIATEIETYIEEHQLQQGDKLPVLETLMAQ-FEVSKSTITKSLELLEQKGAIFQVRGSGIFVRKHKRKGYISLL-----------SNQGDFNVTSKVIELDVRKPTPEAAENLNIGMDED-IYYVKRVRYINGQTLCYEESYYTKSIVTYLNNEIVS--HSIFHYIREGLGLKIGFSDLFLHVGQ----LNEEEAEYLGLEAGLPKLYIESIFHLTNGQPFDYSKISYNYEQSQFVVQANS-
General information:
TITO was launched using:
RESULT:
Template:
3BWG.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -83192 for 1540 contacts (-54.0/contact) +
2D Compatibility (PS) -23437 + (NN) -5118 + (LL) 1600
1D Compatibility (HY) -12800 + (ID) 2250
Total energy: -125197.0 ( -81.30 by residue)
QMean score : 0.463
(partial model without unconserved sides chains):
PDB file :
Tito_3BWG.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-3BWG-query.scw
PDB file :
Tito_Scwrl_3BWG.pdb
: