Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MQLNLFNNNQVDYSRQNYIILDENKHIYNAVINDLSWKYLFLFGPKGSGKTHLAHIWQSINNAI---------------------F---INVNNF--------I---S------EIRYSNAFILEDVQDIQ--DEATLLHCYNYMKENNKRLLITSSTSPKRLNFKLKDLSSRILSTISAKIPSASEELLRIMLIKRFSDKQLKVDLKVINYILARIERSFCSINRIIEKIDNGSMGSNVTIPFVSTLLKRDTT
1NJG Chain:A ((47-248))
--------------------------------------AYLFSGTRGVGKTSIARLLAKGLNCETGITATPCGVCDNCREIEQGRFVDLIEIDAASRTKVEDTRDLLDNVQYAPARGRFKVYLIDEVHMLSRHSFNALLKTLEEPP-EHVKFLLATTDP-Q---KLPVTILSRCL---QFHLKALDVEQIRHQLEHILNEEHIAHEPRALQLLARAAEGSLRDALSLTDQAIAS-GDGQVSTQAVSAMLGT---
General information:
TITO was launched using:
RESULT:
Template:
1NJG.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -107552 for 1152 contacts (-93.4/contact) +
2D Compatibility (PS) -16375 + (NN) -3151 + (LL) 3080
1D Compatibility (HY) -3200 + (ID) 1250
Total energy: -128448.0 ( -111.50 by residue)
QMean score : 0.450
(partial model without unconserved sides chains):
PDB file :
Tito_1NJG.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-1NJG-query.scw
PDB file :
Tito_Scwrl_1NJG.pdb
: