Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MTTETAEKVEYIIETKDVDLFYGSKQALQKIALNIKKNQVTALIGPSGCGKSTFLRTLNRMNDLIPNVKTTGEIHIGGENVQDPK-----------IDMVNLRKKVGMVFQQANPFP-FSIYDNVAYGPRMHGIKDKKVLDEIVERSLRQAALWEEVHDRLDRSAIGMSGGQQQRLCIARVLAVKPDVILMDEPTSALDPISTAKVEDLILELK-KDYTIVIVTHNMQQASRISDETAFFLNGRIVEFADTTSIFTNPAEKETEDYISGRFG
1B0U Chain:A ((5-255))
----------NKLHVIDLHKRYGGHEVLKGVSLQARAGDVISIIGSSGSGKSTFLRCINFLEKP-----SEGAIIVNGQNINLVRDKDGQLKVADKNQLRLLRTRLTMVFQHFNLWSHMTVLENVMEAPIQVLGLSKHDARERALKYLAKVGIDERAQ---GKYPVHLSGGQQQRVSIARALAMEPDVLLFDEPTSALDPELVGEVLRIMQQLAEEGKTMVVVTHEMGFARHVSSHVIFLHQGKIEEEGDPEQVFGNPQSPRLQQFLKG---
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) -118241 for 1944 contacts (-60.8/contact) +
2D Compatibility (PS) -26207 + (NN) -13764 + (LL) 1576
1D Compatibility (HY) -12400 + (ID) 4000
Total energy: -173036.0 ( -89.01 by residue)
QMean score : 0.502
(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
: