Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MERNEVLKKVEAAMPNARFKHTLGVEKAAVELAEHYHMDVEKARITALLHDYAKYYDDDK-ARKIIEDEGYDPRLLSFHHSLWHAPVGAYLAEKEFGITDTEILEAIRLHTTGSATMSDFDKLIYLAD--YTEQGRTFPG------------VYKARRLALKSLDEAMLFALSNTITHLVKKQQL--------VFPDTLDAYNYFVNLNLEGDY------
4S1B Chain:A ((5-220))
---HPLLKKILMKAPGT-YHHSMMVANLAEACADKIGANSLLVRVGCFYHDIGKTLRPPYFVENQINPHDRLTPEQSRDIILSHTKDGAEILKEN--HMPQPIIDIALQHH-GTTLLKYFYFKAKETNPDVKEADYRYSGPKPQTKEIAIINISDSVEAAVRSSTEPTMAKITEIIDGIIKDRFLDGQFTECDITIQEIKIIRDTLIATLNGIYHQRIQY
General information:
TITO was launched using:
RESULT:
Template:
4S1B.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -35950 for 1379 contacts (-26.1/contact) +
2D Compatibility (PS) -19580 + (NN) -12345 + (LL) 524
1D Compatibility (HY) -2800 + (ID) 1650
Total energy: -71801.0 ( -52.07 by residue)
QMean score : 0.454
(partial model without unconserved sides chains):
PDB file :
Tito_4S1B.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-4S1B-query.scw
PDB file :
Tito_Scwrl_4S1B.pdb
: