Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MSYSKIPAGKDLPNDIYVAIEIPANHAPIKYEIDKDTDCLFVDRFMATPMFYPANYGFIPNTLADDGDPLDVLVVTPYPVAPGSVIRARPVGVLHMTDEAGGDAKLIAVPHDKLSVLYKDVKEYTDLPALLLEQIKHFFENYKDLEKGKWVKVEGWGNADAARAEITKAVAAFQK
2BQY Chain:A ((4-172))
---EKLEVSHD-ADSLCVVIEI-SKHSNIKYELDKESGALMVDRVLYGAQNYPANYGFVPNTLGSDGDPVDALVLSDVAFQAGSVVKARLVGVLNMEDESGMDEKLIALPIDKIDPTHSYVKDIDDLSKHTLDKIKHFFETYKDLEPNKWVKVKGFENKESAIKVLEKAIKAYQ-
General information:
TITO was launched using:
RESULT:
Template:
2BQY.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -77664 for 1306 contacts (-59.5/contact) +
2D Compatibility (PS) -18492 + (NN) -10582 + (LL) 372
1D Compatibility (HY) -16800 + (ID) 4200
Total energy: -127366.0 ( -97.52 by residue)
QMean score : 0.611
(partial model without unconserved sides chains):
PDB file :
Tito_2BQY.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-2BQY-query.scw
PDB file :
Tito_Scwrl_2BQY.pdb
: