Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MDISQIKAEVVTPETGIHVGEKAAPVKVMSFVNLRCPFCREWNEKSKDVLTE-YIQAGKIELIIKPFDKEKESLQRGNVTHRYLDYSTPEKTRETINKIYSKQDEWGSLSLDEVATYMESE-LGLTEQDNKAASEKI--------------VAEANAANVVFVPTVIVGEHIFDEHISPEELRSLLDDELAK
3BD2 Chain:A ((14-177))
-----------------------GKPLVVVYGDYKCPYCKELDEKVMPKLRKNYIDNHKVEYQFVNLAFLGKDSIVGSRASHAVLMYAPKSFLDFQKQLFAAQQDQNKEWLTKELLDKHIKQLHLDKETENKIIKDYKTKDSKSWKAAEKDKKIAKDNHIKTTPTAFINGEKVEDPYDYESYEKLLK-----
General information:
TITO was launched using:
RESULT:
Template:
3BD2.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -27786 for 1122 contacts (-24.8/contact) +
2D Compatibility (PS) -15546 + (NN) -2342 + (LL) 2216
1D Compatibility (HY) -4800 + (ID) 1200
Total energy: -49458.0 ( -44.08 by residue)
QMean score : 0.458
(partial model without unconserved sides chains):
PDB file :
Tito_3BD2.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-3BD2-query.scw
PDB file :
Tito_Scwrl_3BD2.pdb
: