Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MIELVNVSKKIQDKLILEKVSLSIGAGEFIAVVGESGSGKTTLLNVIGHLDSKDSGQVIIN--------EMEYQTK---KEVMTLKKEVLGFIFQNYLLMENETVLEN--------LSITGGENRKLMIEHLEEVGMDESYLAKKVYQLSGGEKQRIAIVRILLKPFQLLLADEPTGNLDDKNKQKIIELFLALKKQGKTIVCVTHDPEISAK-ADRIIYIEGGEIR
1B0U Chain:A ((7-231))
-LHVIDLHKRYGGHEVLKGVSLQARAGDVISIIGSSGSGKSTFLRCINFLEKPSEGAIIVNGQNINLVRDKDGQLKVADKNQLRLLRTRLTMVFQHFNLWSHMTVLENVMEAPIQVLGLSKHDARERALKYLAKVGIDERAQGKYPVHLSGGQQQRVSIARALAMEPDVLLFDEPTSALDPELVGEVLRIMQQLAEEGKTMVVVTHEMGFARHVSSHVIFLHQGKI-
General information:
TITO was launched using:
RESULT:
Template:
1B0U.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -119211 for 1576 contacts (-75.6/contact) +
2D Compatibility (PS) -22466 + (NN) -9731 + (LL) 308
1D Compatibility (HY) -18000 + (ID) 3500
Total energy: -172600.0 ( -109.52 by residue)
QMean score : 0.460
(partial model without unconserved sides chains):
PDB file :
Tito_1B0U.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-1B0U-query.scw
PDB file :
Tito_Scwrl_1B0U.pdb
: