Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MLVNNISYLYNNQDDFALNNINIKVKRGKVACLLGHSGCGKSTILKLIAGIENPKSGTIFINDK---LVASSSTSIAIEHRN--------IGLIFQHSALFPHKTVVENVTFA---IRSSSKKEKHLIALEILKLLNI-AKYENMYPNALSGGQQQLVAIARVMAQNPDVVLLDEPFSNLDILLKCQIRQRILSLFRSKNIPVLMVTHDPQEALKVADFIYVMKNGRIIQSGISSDIYHRPKDDTLAKFFSELSSTLQLGEKFPLDGAFAVRK
1B0U Chain:A ((22-253))
-----------------LKGVSLQARAGDVISIIGSSGSGKSTFLRCINFLEKPSEGAIIVNGQNINLVRDKDGQLKVADKNQLRLLRTRLTMVFQHFNLWSHMTVLENVMEAPIQVLGLSKHDARERALKYLAKVGIDERAQGKYPVHLSGGQQQRVSIARALAMEPDVLLFDEPTSALDPELVGEVL-RIMQQLAEEGKTMVVVTHEMGFARHVSSHVIFLHQGKIEEEGDPEQVFGNPQSPRLQQFLKGSLKKLEH--------------
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) -177896 for 1663 contacts (-107.0/contact) +
2D Compatibility (PS) -24059 + (NN) -13086 + (LL) 1864
1D Compatibility (HY) -16800 + (ID) 3750
Total energy: -233727.0 ( -140.55 by residue)
QMean score : 0.517
(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
: