Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MKGYRILIVEDDVMIGDLLQKILQREGYRVIWKTDGADVLSVI--QKVDLVIMDVMLPGEDGYQMSAKIKKLGLGIPVIFLSARNDMDSKLQGLQIG-EDYMVKPFDPRELLLRMRNMLEHHYGTFTQI-------KHLYIDAVTKKVFNESLHDEVLFTAIERKIFFYLYENRDSILTKEHFFEYLWQLED-RNPNIVNVHIKKIRAKINDQA--GEMIENIYGEGYRLNTVVKK
2OQR Chain:A ((4-229))
--ATSVLIVEDEESLADPLAFLLRKEGFEATVVTDGPAALAEFDRAGADIVLLDLMLPGMSGTDVCKQLRAR-SSVPVIMVTARDSEIDKVVGLELGADDYVTKPYSARELIARIRAVLRRGGDDDSEMSDGVLESGPVRMDVERHVVS--VNGDTITLPLKEFDLLEYLMRNSGRVLTRGQLIDRVWGADYVGDTKTLDVHVKRLRSKIEADPANPVHLVTVRGLGYKLE-----
General information:
TITO was launched using:
RESULT:
Template:
2OQR.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -101005 for 1491 contacts (-67.7/contact) +
2D Compatibility (PS) -22605 + (NN) -9829 + (LL) 688
1D Compatibility (HY) -13600 + (ID) 3050
Total energy: -149401.0 ( -100.20 by residue)
QMean score : 0.385
(partial model without unconserved sides chains):
PDB file :
Tito_2OQR.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-2OQR-query.scw
PDB file :
Tito_Scwrl_2OQR.pdb
: