Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MERNEVLKKVEAAM-----PNARFKHTLGVEKAAVELAEHYHMDVEKARITALLHDYAKYYDDDKARKIIEDEGYDPRLLSFHHSLWHAPVGAYLAEK---EFGITD---TEILEAIRLHTTGSATMSDFDKLIYLADYTEQGRTFPGVYKARRLALKSLDEAMLFALSNTITHLVKKQQLVFPDTLDAYNYFVNLNLEGDY
2PQ7 Chain:A ((14-174))
--LREILNIVREAFKDYDDPAHDISHTFRVMENASEIASREKCDLQKAIIAALLHDIKRPHEAL-------------------TGVDHAESGAEYASGLLPTMGFDISFVAEVSKAIRSHR---TPTSLTGKILQDADRLDA------------------------------------------------------------
General information:
TITO was launched using:
RESULT:
Template:
2PQ7.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -41050 for 806 contacts (-50.9/contact) +
2D Compatibility (PS) -11605 + (NN) -5437 + (LL) 5716
1D Compatibility (HY) -3200 + (ID) 1750
Total energy: -57326.0 ( -71.12 by residue)
QMean score : 0.550
(partial model without unconserved sides chains):
PDB file :
Tito_2PQ7.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-2PQ7-query.scw
PDB file :
Tito_Scwrl_2PQ7.pdb
: