Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MAEHDFETISSETLHTGAIFALRRDQVRMPGGGIVTREVVEHFGAVAIVAMDDNGNIPMVYQYRHTYGRRLWELPAGLLDVAGEPPHLTAARELREEVGLQASTWQVLVDLDTAPGFSDESVRVYLATGLREVGRPEAHHEEADMTMGWYPIAEAARRVLRGEIVNSIAIAGVLAVHAVTTGFAQPRPLDTEWIDRPTAFAARRAER
2W4E Chain:A ((59-198))
-----------------------------------------GPRAVFILPVTAQGEAVLIRQFRYPLRATITEIVAGGVE-KGEDLGAAAARELLEEVGGAASEWVPLPGFYPQPSISGVVFYPLLALGVTLG----------TIERVVLPLAEVYRMLEAGEIQDGPSSLTLWQARGELTRRG-----------------------
General information:
TITO was launched using:
RESULT:
Template:
2W4E.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -88517 for 964 contacts (-91.8/contact) +
2D Compatibility (PS) -14528 + (NN) -4083 + (LL) 5416
1D Compatibility (HY) -4000 + (ID) 1850
Total energy: -107562.0 ( -111.58 by residue)
QMean score : 0.723
(partial model without unconserved sides chains):
PDB file :
Tito_2W4E.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-2W4E-query.scw
PDB file :
Tito_Scwrl_2W4E.pdb
: