Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MKKVIDLKKLQKAYASETVLNNINLEVFKGEIIGLIGPSGAGKSTLIKTMLGMEKADKGTALVLDTQMPDRNILNQ-IGYMAQSDALYESLTALENLLFFGKMKGIQKTELKQQITHISKVVDLENQLDKFVSGYSGGMKRRLSLAIALLGNPTVLILDEPTVGIDPSLRRKIWQELINI-KDEGRSIFITTHVMDEA-ELTSKVALLLRGNIIAFDTPLHLKKQFNVSTIEEVFLKAEGE
2AWO Chain:C ((4-221))
----VQLQNVT-------VSKDINLDIHEGEFVVFVGPSGCGKSTLLRMIAGLETITSGDLFIGEKRMNDTPPAERGVGMV----ALYPHLSVAENMSFGLKLAGAKKEVINQRVNQVAEVLQLAHLLDRKPKALSGGQRQRVAIGRTLVAEPSVFLLDEPLSNLDAALRVQMRIEISRLHKRLGRTMIYVTHDQVEAMTLADKIVVLDAGRVAQVGKPLELYHYPADRFVAGFIGSPKMN
General information:
TITO was launched using:
RESULT:
Template:
2AWO.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -143799 for 1600 contacts (-89.9/contact) +
2D Compatibility (PS) -21913 + (NN) -5633 + (LL) 1260
1D Compatibility (HY) -15200 + (ID) 3300
Total energy: -188585.0 ( -117.87 by residue)
QMean score : 0.511
(partial model without unconserved sides chains):
PDB file :
Tito_2AWO.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-2AWO-query.scw
PDB file :
Tito_Scwrl_2AWO.pdb
: