Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MKKVIDLKKLQKAYASETVLNNINLEVFKGEIIGLIGPSGAGKSTLIKTMLGMEKADKGTALVLDTQMPDRNILNQ-IGYMAQSDALYESLTALENLLFFGKMKGIQKTELKQQITHISKVVDLENQLDKFVSGYSGGMKRRLSLAIALLGNPTVLILDEPTVGIDPSLRRKIWQELINI-KDEGRSIFITTHVMDEA-ELTSKVALLLRGNIIAFDTPLHLKKQFNVSTIEEVFLKAEGE
3PUY Chain:A ((4-221))
----VQLQNVTKAWGEVVVSKDINLDIHEGEFVVFVGPSGCGKSTLLRMIAGLETITSGDLFIGEKRMNDTPPAERGVGMVFQSYALYPHLSVAENMSFGLKLAGAKKEVINQRVNQVAEVLQLAHLLDRKPKALSGGQRQRVAIGRTLVAEPSVFLLDEPLSNLDAALRVQMRIEISRLHKRLGRTMIYVTHDQVEAMTLADKIVVLDAGRVAQVGKPLELYHYPADRFVAGFIGSPKMN
General information:
TITO was launched using:
RESULT:
Template:
3PUY.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -134948 for 1665 contacts (-81.0/contact) +
2D Compatibility (PS) -22959 + (NN) -5606 + (LL) 528
1D Compatibility (HY) -15600 + (ID) 3500
Total energy: -182085.0 ( -109.36 by residue)
QMean score : 0.532
(partial model without unconserved sides chains):
PDB file :
Tito_3PUY.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-3PUY-query.scw
PDB file :
Tito_Scwrl_3PUY.pdb
: