Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MSHESIEKNLNFVKKLNNVNDSVLKIENLALAYDNKKVLDGINISIEKGDIVTILGPNGGGKTSLMKVVAGISKNYTGSVIFA------------------------DNIKISYMPQNFSISKLMPITVEYFLLNSFSKK----LKKNQSVITEVIELVGIGSIL-KNQVLEISAGQMQLLLLAHCLIAEPDLIILDEPVSAMDINARAKFYDIIGEIAKKRLISILMTSHDLSSIVPCSDYIICIN-HTIYCQGKPGKIMEDRTLGEIFSSYIAK
1B0U Chain:A ((5-245))
---------------------NKLHVIDLHKRYGGHEVLKGVSLQARAGDVISIIGSSGSGKSTFLRCINFLEKPSEGAIIVNGQNINLVRDKDGQLKVADKNQLRLLRTRLTMVFQHFN--LWSHMTVLENVMEAPIQVLGLSKHDARERALKYLAKVGIDERAQGKYPVHLSGGQQQRVSIARALAMEPDVLLFDEPTSALDPELVGEVLRIMQQLAE-EGKTMVVVTHEMGFARHVSSHVIFLHQGKIEEEGDPEQVFGNPQSPRLQQFLKGS
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) -203338 for 1713 contacts (-118.7/contact) +
2D Compatibility (PS) -23053 + (NN) -12313 + (LL) 1432
1D Compatibility (HY) -12000 + (ID) 2300
Total energy: -251572.0 ( -146.86 by residue)
QMean score : 0.550
(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
: