Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MPKPLIDMKNLTKTYTLGGETFKALDDVTFTVEQGEFLSIVGPSGSGKSTLMNMIGCLDVPDEGSYHLDDVDVFKLSD----------NKLSEIRNKKIGFIFQQFNLLPKLSAFENVELPLIYA-GLSVSAREKAAIECLEKVGLLEKR-RNLPTQLSGGQQQRVAIARALAGKPQILLADEPTGALDSKTGKEVMGILQELNRAGNTIVMITHDPTIAS-YGTRSIRIQDGKLFHEEATQA
1B0U Chain:A ((5-238))
---NKLHVIDLHKRYGG----HEVLKGVSLQARAGDVISIIGSSGSGKSTFLRCINFLEKPSEGAIIVNGQNINLVRDKDGQLKVADKNQLRLL-RTRLTMVFQHFNLWSHMTVLENVMEAPIQVLGLSKHDARERALKYLAKVGIDERAQGKYPVHLSGGQQQRVSIARALAMEPDVLLFDEPTSALDPELVGEVLRIMQQLAEEGKTMVVVTHEMGFARHVSSHVIFLHQGKIEEEGDPE-
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) -108692 for 1762 contacts (-61.7/contact) +
2D Compatibility (PS) -24167 + (NN) -11835 + (LL) 188
1D Compatibility (HY) -20000 + (ID) 4150
Total energy: -168656.0 ( -95.72 by residue)
QMean score : 0.467
(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
: