Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MDIENYCQDYCLETIFPKHYFKDLQVITLTAGQSVCKQGEQLEYLHYIVKGRFKIVRRLFNGKEHILDIKTKPTLIGDIELLTNRQ-IVSSVIALEDLTVIQLSLKGRKEKLLTDATFLLKLSQELAQAFHDQNIKASTNLGYTVKELLASHILAIEEQ----G-Y--FQLELSSLADSFGVSYRHLLRVIHDMVKEGLIQKEKPKYFIKNRFALESLNIQP
3DKW Chain:A ((19-226))
----------PLSPVQLQELLASSDLVNLDKGAYVFRQGEPAHAFYYLISGCVKIYRLTPEGQEKILEVTNERNTFAEAMMFMDTPNYVATAQAVVPSQLFRFSNKAYLRQLQDNTPLALALLAKLSTRLHQRIDEIETLSLKNATHRVVRYLLTLAAHAPGENCRVEIPVAKQLVAGHLSIQPETFSRIMHRLGDEGIIHLDGREISILDRERLECFE---
General information:
TITO was launched using:
RESULT:
Template:
3DKW.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -96475 for 1254 contacts (-76.9/contact) +
2D Compatibility (PS) -21015 + (NN) -2826 + (LL) 888
1D Compatibility (HY) -10400 + (ID) 1850
Total energy: -131678.0 ( -105.01 by residue)
QMean score : 0.416
(partial model without unconserved sides chains):
PDB file :
Tito_3DKW.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-3DKW-query.scw
PDB file :
Tito_Scwrl_3DKW.pdb
: