Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MKKVIDLKKLQKAYASETVLNNINLEVFKGEIIGLIGPSGAGKSTLIKTMLGMEKADKGTALVLDTQMPDRNILNQ-IGYMAQSDALYESLTALENLLFFGKMKGIQKTELKQQITHISKVVDLENQLDKFVSGYSGGMKRRLSLAIALLGNPTVLILDEPTVGIDPSLRRKIWQELINI-KDEGRSIFITTHVMDEA-ELTSKVALLLRGNIIAFDTPLHLKKQFNVSTIEEVFLKAEGE
3PUZ Chain:A ((4-221))
----VQLQNVTKAWGEVVVSKDINLDIHEGEFVVFVGPSGCGKSTLLRMIAGLETITSGDLFIGEKRMNDTPPAERGVGMVFQSYALYPHLSVAENMSFGLKLAGAKKEVINQRVNQVAEVLQLAHLLDRKPKALSGGQRQRVAIGRTLVAEPSVFLLDEPLSNLDAALRVQMRIEISRLHKRLGRTMIYVTHDQVEAMTLADKIVVLDAGRVAQVGKPLELYHYPADRFVAGFIGSPKMN
General information:
TITO was launched using:
RESULT:
Template:
3PUZ.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -129271 for 1647 contacts (-78.5/contact) +
2D Compatibility (PS) -22980 + (NN) -4939 + (LL) 528
1D Compatibility (HY) -15600 + (ID) 3500
Total energy: -175762.0 ( -106.72 by residue)
QMean score : 0.554
(partial model without unconserved sides chains):
PDB file :
Tito_3PUZ.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-3PUZ-query.scw
PDB file :
Tito_Scwrl_3PUZ.pdb
: