Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MLDKKIISALSYFSLFFAPVITPAIIWCTTKDKEIRHHVKWALLTQATFVAGIVVMILLYNNVPFSTNSADTINFLALATVFFIVFLNVSILIFNLIRGITRIVKHSDDNWARC-
2KSS Chain:A ((21-106))
MIQDP--------SLIICHDVDGAPVRIGAKVKVVPHSEDGTISQRFLGQTGIVVGLVFDDPATQYPDDP---------------------LIQVLVEGLGEDLFFPEELELAPE
General information:
TITO was launched using:
RESULT:
Template:
2KSS.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -28214 for 525 contacts (-53.7/contact) +
2D Compatibility (PS) -8537 + (NN) 2493 + (LL) 3268
1D Compatibility (HY) -2400 + (ID) 750
Total energy: -34140.0 ( -65.03 by residue)
QMean score : -0.027
(partial model without unconserved sides chains):
PDB file :
Tito_2KSS.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-2KSS-query.scw
PDB file :
Tito_Scwrl_2KSS.pdb
: