Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MSNEILIVDDEDRIRRLLKMYLERESFEIHEASNGQEAYELAMENNYACILLDLMLPEMDGIQVATKLREHKQTPIIMLTAKGEETNRVEGFESGADDYIVKPFSPREVVLRVKALLRRTQSTTVEQSEPHARDVIEFKHLEIDNDAHRVLADNQEVNLTPKEYELLIYLAKTPNKVFDREQLLKEVWHYEFYGDLRTVDTHVKRLREKLNRVSSEAAHMIQTVWGVGYKFEVKSNDEPAK
1NXS Chain:A ((3-120))
---KILIVDDEKPISDIIKFNMTKEGYEVVTAFNGREALEQFEAEQPDIIILD--LPEIDGLEVAKTIRKTSSVPILMLSAKDSEFDKVIGLELGADDYVTKPFSNRELQARVKALLRRSQ------------------------------------------------------------------------------------------------------------------------
General information:
TITO was launched using:
RESULT:
Template:
1NXS.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -69441 for 904 contacts (-76.8/contact) +
2D Compatibility (PS) -12999 + (NN) -11197 + (LL) 9656
1D Compatibility (HY) -10800 + (ID) 2900
Total energy: -97681.0 ( -108.05 by residue)
QMean score : 0.575
(partial model without unconserved sides chains):
PDB file :
Tito_1NXS.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-1NXS-query.scw
PDB file :
Tito_Scwrl_1NXS.pdb
: