Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MGKIGIFFGTDSGNAEAIAEKISKAIGN---AEVIDVAKASKEQFNGFTKVILVAPTAGAGDL--------QTDWEDFLGTLEASDFANKTIGLVGLGDQDTYSETFAEGIFHIYE--KAKAGKVVGQTPTDGYHFEASKAVEGGKFVGLVIDEDNQDDLTDERIAKWVEQVKGSFA
1YOB Chain:B ((2-175))
--KIGLFFGSNTGKTRKVAKSIKKRFDDETMSDALNVNRVSAEDFAQYQFLILGTPTLGEGELPGLSSDAENESWEEFLPKIEGLDFSGKTVALFGLGDQVGYPENYLDALGELYSFFKDRGAKIVGSWSTDGYEFESSEAVVDGKFVGLALDLDNQSGKTDERVAAWLAQIAPEFG
General information:
TITO was launched using:
RESULT:
Template:
1YOB.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -89932 for 1304 contacts (-69.0/contact) +
2D Compatibility (PS) -17513 + (NN) -9677 + (LL) 36
1D Compatibility (HY) -15200 + (ID) 3500
Total energy: -135786.0 ( -104.13 by residue)
QMean score : 0.580
(partial model without unconserved sides chains):
PDB file :
Tito_1YOB.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-1YOB-query.scw
PDB file :
Tito_Scwrl_1YOB.pdb
: