Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
METNLELQDITYQYDSGNKAQIVLRNLSYTFSEGTFYTILGPSGAGKTTLLSIAAGIDKPTSGKLIINKKVLN------------ETMSLQSYRKSLSSIIFQTYNLIPYMTAVQNVYTA----MGIQHSQMKDKRKRAIELLKEVGLTDKQINSPVLKLSGGQQQRVTIARALSGNAPFIFADEPTGNLDHETSEHIIDLFRDLAHKKNKCVVMVTHD----NHVASRSDVILNLKGKTLI
1B0U Chain:A ((5-230))
--NKLHVIDLHKRY-GGHE---VLKGVSLQARAGDVISIIGSSGSGKSTFLRCINFLEKPSEGAIIVNGQNINLVRDKDGQLKVADKNQLRLLRTRLT-MVFQHFNLWSHMTVLENVMEAPIQVLGLSKH---DARERALKYLAKVGIDERAQGKYPVHLSGGQQQRVSIARALAMEPDVLLFDEPTSALDPELVGEVLRIMQQLA-EEGKTMVVVTHEMGFARHVSSH--VIFLHQGK---
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) -118794 for 1620 contacts (-73.3/contact) +
2D Compatibility (PS) -22764 + (NN) -11413 + (LL) 1440
1D Compatibility (HY) -21200 + (ID) 3850
Total energy: -176581.0 ( -109.00 by residue)
QMean score : 0.577
(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
: