Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MNENLITITGLTKKYRKRKPLNDINLSLQKGKIIGLLGPNGAGKTTLLNAISGLLKPTSGTINLAEN------------------------SKIAYLPSEDFLP-NMVICDYFRIYHSFF----PDFDQEKAKQMIRSFGIN---IKENTKYLSKGNAAKVMLALILCRDVDLYLLDEPFSEIDLISRDDLIKSIATFLKEDATLVVTTHLIQDMEMMFDEIIFLKRGKIIEQIDTETLREEYRK-SVMDYYREVFGHA
1B0U Chain:A ((5-258))
---NKLHVIDLHKRYGGHEVLKGVSLQARAGDVISIIGSSGSGKSTFLRCINFLEKPSEGAIIVNGQNINLVRDKDGQLKVADKNQLRLLRTRLTMVFQHFNLWSHMTVLENVMEAPIQVLGLSKHDARERALKYLAKVGIDERAQGKYPVHLSGGQQQRVSIARALAMEPDVLLFDEPTSALDPELVGEVLRIMQQLAEEGKTMVVVTHEMGFARHVSSHVIFLHQGKIEEEGDPEQVFGNPQSPRLQQFLKGSLK--
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) -178684 for 1796 contacts (-99.5/contact) +
2D Compatibility (PS) -23526 + (NN) -6285 + (LL) 420
1D Compatibility (HY) -11200 + (ID) 2700
Total energy: -221975.0 ( -123.59 by residue)
QMean score : 0.535
(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
: