Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MKKVIDLKKLQKAYASETVLNNINLEVFKGEIIGLIGPSGAGKSTLIKTMLGMEKADKGTALVLDTQMPDRNILNQ-IGYMAQSDALYESLTALENLLFFGKMKGIQKTELKQQITHISKVVDLENQLDKFVSGYSGGMKRRLSLAIALLGNPTVLILDEPTVGIDPSLRRKIWQELINI-KDEGRSIFITTHVMDEA-ELTSKVALLLRGNIIAFDTPLHLKKQFNVSTIEEVFLKAEGE
4KI0 Chain:B ((4-221))
----VQLQNVTKAWGEVVVSKDINLDIHEGEFVVFVGPSGCGKSTLLRMIAGLETITSGDLFIGEKRMNDTPPAERGVGMVFQSYALYPHLSVAENMSFGLKLAGAKKEVINQRVNQVAEVLQLAHLLDRKPKALSGGQRQRVAIGRTLVAEPSVFLLDEPLSNLDAALRVQMRIEISRLHKRLGRTMIYVTHDQVEAMTLADKIVVLDAGRVAQVGKPLELYHYPADRFVAGFIGSPKMN
General information:
TITO was launched using:
RESULT:
Template:
4KI0.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -136384 for 1690 contacts (-80.7/contact) +
2D Compatibility (PS) -23152 + (NN) -7535 + (LL) 528
1D Compatibility (HY) -15600 + (ID) 3500
Total energy: -185643.0 ( -109.85 by residue)
QMean score : 0.568
(partial model without unconserved sides chains):
PDB file :
Tito_4KI0.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-4KI0-query.scw
PDB file :
Tito_Scwrl_4KI0.pdb
: