Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MGKIGIFFGTDSGNAEAIAEKISKAIGNAEVI--DVAKASKEQFNGFTKVILVAPTAGAGDLQTDWEDFLGTLEASDFANKTIGLVGLGDQDTYSETFAEGIFHIYEK--AKAGKVVGQTPTDGYHFEASKAVEGGKFVGLVIDEDNQDDLTDERIAKWVEQVKGSFA
3ESX Chain:A ((3-167))
--KIGLFYGTQTGKTKSVAEIIRDEFGNDVVTLHDVSQAEVTDLNDYQYLIIGCPTWNIGKLQSDWEGLYSELDDVDFNGKLVAYFGTGDQIGYADNFQDAIGILEEKISQRGGKTVGYWSTDGYKFNDSKALRNGKFVGLALDEDNQSKLTDDRIKSWVAQLKSEFG
General information:
TITO was launched using:
RESULT:
Template:
3ESX.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -84002 for 1360 contacts (-61.8/contact) +
2D Compatibility (PS) -17704 + (NN) -9807 + (LL) 36
1D Compatibility (HY) -13600 + (ID) 3600
Total energy: -128677.0 ( -94.62 by residue)
QMean score : 0.538
(partial model without unconserved sides chains):
PDB file :
Tito_3ESX.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-3ESX-query.scw
PDB file :
Tito_Scwrl_3ESX.pdb
: