Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MTQAILEIKHLKKSYGSNE---VLKDISLSVNKGEVISIIGSSGSGKSTFLRSINLLEEPSGGEILYHGHNVLE-----------------KGYDLNNYREKLGMVFQSFNLFENLNILENAIVAQTTVLK-RERQEAEKIAKENLNAVGMTEQY--WKAKPKQLSGGQKQRVAIARALSV-NPEAILFDEPTSALDPEMVGEVLKTMQDLAKSGLTMIIVTHEMEFAKEVSDRVIFMDK-GIIAEQGTPKQLFENPTQERTKEFLQRFLK------
1B0U Chain:A ((5-261))
---NKLHVIDLHKRYGG--HEVLK-GVSLQARAGDVISIIGSSGSGKSTFLRCINFLEKPSEGAIIVNG----QNINLVRDKDGQLKVADKNQLRLLRT-R-LTMVFQHFNLWSHMTVLENVMEAPIQVL-GLSKHDARERALKYLAKVGIDERAQG--KYPVHLSGGQQQRVSIARALAME-PDVLLFDEPTSALDPELVGEVLRIMQQLAEEGKTMVVVTHEMGFARHVSSHVIFLH-QGKIEEEGDPEQVFGNP---QSPRLQQFLKGSLKKLE
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) -125868 for 1818 contacts (-69.2/contact) +
2D Compatibility (PS) -24615 + (NN) -14727 + (LL) 1508
1D Compatibility (HY) -22800 + (ID) 5800
Total energy: -192302.0 ( -105.78 by residue)
QMean score : 0.579
(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
: