Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MKDEHNQEHDHLSPKEPESYQKAYACKEQQGEEKQEASEKEGEIKEDFELKYQEMREQYLRVHADFENVKKRLERDKSMALEYAYEKIALDLLPVIDALLGAHKSAVEVDKESALTKGLELTMEKLHEVLARHGIEGI--ECLEEFDPNFHNAIMQVKSEEKENGKIVQVLQQGYKYKGRVLRPAMVSIAKND
2PGH Chain:B ((1-146))
---------VHLSAEEKEAVLGLWGKV---------------NVDEVGGEALGRLLVVYPWTQRFFESFG-DLSNADAVMGNPKVKAHGKKVLQSFSDGLKHLD-------------NLKGTFAKLSELHCDQL--HVDPENFRLLGNVIVVVLARRLGH-DFNPDVQAAFQKVVAGVANALAHKYH------
General information:
TITO was launched using:
RESULT:
Template:
2PGH.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -27291 for 1065 contacts (-25.6/contact) +
2D Compatibility (PS) -14857 + (NN) -457 + (LL) 3224
1D Compatibility (HY) -3600 + (ID) 1050
Total energy: -44031.0 ( -41.34 by residue)
QMean score : 0.386
(partial model without unconserved sides chains):
PDB file :
Tito_2PGH.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-2PGH-query.scw
PDB file :
Tito_Scwrl_2PGH.pdb
: