Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MGKIGIFFGTDSGNAEAIAEKISKAIGN--AEVIDVAKASKEQFNGFTKVILVAPTAGAGDLQTDWEDFLGTLEASDFANKTIGLVGLGDQDTYSETFAEGIFHIYE--KAKAGKVVGQTPTDGYHFEASKAV-EGGKFVGLVIDEDNQDDLTDERIAKWVEQVKGSFA
1AG9 Chain:A ((4-163))
----GIFFGSDTGNTENIAKMIQKQLGKDVADVHDIAKSSKEDLEAYDILLLGIPTWYYGEAQCDWDDFFPTLEEIDFNGKLVALFGCGDQEDYAEYFCDALGTIRDIIEPRGATIVGHWPTAGYHFEASKGLADDDHFVGLAIDEDRQPELTAERVEKWVKQISEELH
General information:
TITO was launched using:
RESULT:
Template:
1AG9.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -88508 for 1306 contacts (-67.8/contact) +
2D Compatibility (PS) -16715 + (NN) -7045 + (LL) 304
1D Compatibility (HY) -13600 + (ID) 3750
Total energy: -129314.0 ( -99.02 by residue)
QMean score : 0.553
(partial model without unconserved sides chains):
PDB file :
Tito_1AG9.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-1AG9-query.scw
PDB file :
Tito_Scwrl_1AG9.pdb
: