Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MDNALVRLTQVGVSFN-GQAVLSDVDLAIEPGQIVTLIGPNGAGKTTLVRSVLGLLKPHVGEVWRR---------PRLTIGYMPQKLHVDATLPLSVLRFLRLVPGV-------KREQALAALREVGAAHVLERPLQSISGGELQRVLLARALLRKPELLVLDEPVQGVDVAGQAELYRLIGKLRDRYGCGVLMVSHDLHLVMSATDQVVCLNRHVC-CSGHPEQVSGDPAFVELFGQDARSLAIYHHHHDHAHDLHGEVVKAGPGALPPGTRFTPVHKHGPDCNHG
1Z47 Chain:A ((13-238))
---MTIEFVGVEKIYPGGARSVRGVSFQIREGEMVGLLGPSGSGKTTILRLIAGLERPTKGDVWIGGKRVTDLPPQKRNVGLVFQNYALF--QHMTVYDNVSFGLREKRVPKDEMDARVRELLRFMRLESYANRFPHELSGGQQQRVALARALAPRPQVLLFDEPFAAIDTQIRRELRTFVRQVHDEMGVTSVFVTHDQEEALEVADRVLVLHEGNVEQFGTPEEVYEKPG--------------------------------------------------------
General information:
TITO was launched using:
RESULT:
Template:
1Z47.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -197255 for 1673 contacts (-117.9/contact) +
2D Compatibility (PS) -22826 + (NN) -13297 + (LL) 2072
1D Compatibility (HY) -12800 + (ID) 2950
Total energy: -247056.0 ( -147.67 by residue)
QMean score : 0.545
(partial model without unconserved sides chains):
PDB file :
Tito_1Z47.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-1Z47-query.scw
PDB file :
Tito_Scwrl_1Z47.pdb
: