Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MTLMMKNITKNYQDGEQVIEVLKNVSLEVAQGEFVAIVGPSGAGKSTFLSIAGALLSPTEGEIAIGGKVLNDLTSKDLTKVRLDKVGFIFQGANLIPYL-NVRDQL-LVIAELSGDKGRVAKEKADELLKELGLTARENNYPESLSGGEKQRVAIARALMNDPDIILADEPTASLDASRGHKVVQMIADEVKRKNKAAIMVTHD-ERVLDLVDRVIRIEDGYLKD
4HLU Chain:B ((25-216))
---------------------LENVSLVINEGECLLVAGNTGSGKSTLLQIVAGLIEPTSGD------VLYDGERKKGYEIRRN-IGIAFQYPEDQFFAERVFDEVAFAVKNFYPDRDPVPLVKKAMEFVGLDFDSFKDRVPFFLSGGEKRRVAIASVIVHEPDILILDEPLVGLD-REGKTDLLRIVEKWKTLGKTVILISHDIETVINHVDRVVVLEKG----
General information:
TITO was launched using:
RESULT:
Template:
4HLU.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -51776 for 1465 contacts (-35.3/contact) +
2D Compatibility (PS) -21020 + (NN) -9106 + (LL) 2692
1D Compatibility (HY) -14800 + (ID) 3400
Total energy: -97410.0 ( -66.49 by residue)
QMean score : 0.323
(partial model without unconserved sides chains):
PDB file :
Tito_4HLU.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-4HLU-query.scw
PDB file :
Tito_Scwrl_4HLU.pdb
: