Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MLAIKTRVKTAKGRKLSSTRWLHRHLNDQYVQKTNKDSYRSRSAYKLIEIDNKFKLLQAGQKIVDLGASPGGWSQVASQKGVKVVAIDIK-PVNTISGVKYIQY------------DINELET---LRERFKDQKFDVILSDMAPESCGLKSLDHIRIMLLCEAALNFAKHFLNYGGKFVVKIFQGESDKDFYNELKKMFKIVKYFKPKSSRSESTEMYLVGLGFISNSFPI
2NYU Chain:B ((1-184))
-------------------------------------SYRSRSAFKLLEVNERHQILRPGLRVLDCGAAPGAWSQVAVQK-VNAAGTDPSSPVGFVLGVDLLHIFPLEGATFLCPADVTDPRTSQRILEVLPGRRADVILSDMAPNATGFRDLDHDRLISLCLTLLSVTPDILQPGGTFLCKTWAGSQSRRLQRRLTEEFQNVRIIK-------SSEVYFLATYHG------
General information:
TITO was launched using:
RESULT:
Template:
2NYU.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -87606 for 1247 contacts (-70.3/contact) +
2D Compatibility (PS) -17463 + (NN) -4799 + (LL) 2920
1D Compatibility (HY) -14000 + (ID) 3150
Total energy: -124098.0 ( -99.52 by residue)
QMean score : 0.452
(partial model without unconserved sides chains):
PDB file :
Tito_2NYU.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-2NYU-query.scw
PDB file :
Tito_Scwrl_2NYU.pdb
: