Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MIKLCTISDSQALLE-VSYKTFDETFRAQNKPENMDAYLKTNFTAKKLSDELKNPHSYFYFVFHQEAIAGYLKLNIGDAQTEEIAGNTIEIERIYVLKSFQKKGLGKELFNQAIEIAKEVDAKKIWLGVWEKNKNAIQFYAKLGFIKNGQHDFFMGDDCQTDIIMIKDL
4E2A Chain:A ((46-206))
--------DELSLLQKIAIQTFRETFAFDNTAEQLQNFFDEAYTLSVLKLELDDKESETYFILMSGKAAGFLKVNWGSSQTEQVLEDAFEIQRLYILKAYQGLGLGKQLFEFALERAQISGLSWVWLGVWEKNVKAQLLYAKYGFEQFSKHSFFVGNKVDTDWLLKKSL
General information:
TITO was launched using:
RESULT:
Template:
4E2A.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -75546 for 1070 contacts (-70.6/contact) +
2D Compatibility (PS) -17445 + (NN) -4302 + (LL) 936
1D Compatibility (HY) -16400 + (ID) 3200
Total energy: -115957.0 ( -108.37 by residue)
QMean score : 0.542
(partial model without unconserved sides chains):
PDB file :
Tito_4E2A.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-4E2A-query.scw
PDB file :
Tito_Scwrl_4E2A.pdb
: