Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MGKIGIFFGTDSGNAEAIAEKISKAIGNAEVI--DVAKASKEQFNGFTKVILVAPTAGAGDLQTDWEDFLGTLEASDFANKTIGLVGLGDQDTYSETFAEGIFHIYEK--AKAGKVVGQTPTDGYHFEASKAVEGGKFVGLVIDEDNQDDLTDERIAKWVEQVKGSFA
1QHE Chain:A ((2-166))
--KIGLFYGTQTGKTESVAEIIRDEFGNDVVTLHDVSQAEVTDLNDYQYLIIGCPTWNIGELQSDWEGLYSELDDVDFNGKLVAYFGTGDQIGYADNFQDAIGILEEKISQRGGKTVGYWSTDGYDFNDSKALRNGKFVGLALDEDNQSDLTDDRIKSWVAQLKSEFG
General information:
TITO was launched using:
RESULT:
Template:
1QHE.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -89550 for 1343 contacts (-66.7/contact) +
2D Compatibility (PS) -17603 + (NN) -11035 + (LL) 36
1D Compatibility (HY) -13600 + (ID) 3700
Total energy: -135452.0 ( -100.86 by residue)
QMean score : 0.558
(partial model without unconserved sides chains):
PDB file :
Tito_1QHE.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-1QHE-query.scw
PDB file :
Tito_Scwrl_1QHE.pdb
: