Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
-MQHLVLIGFMGSGKSSLAQELGLALKLEVLDTDMIISERVGLSVRGIFEELGEDNFRMFEKNLIDELKTLKTPHIISTGGGIVM----HENLKGLGTTFYLKMDFETLIKRLNQKEREKRPLLNNLTQAKELFEKRQALYEKNASFIIDARGGLNNSLKQVLQFIA----
1SHK Chain:A ((1-173))
MTEPIFMVGARGCGKTTVGRELARALGYEFVDTDIFMQHTSGMTVADVVAAEGWPGFRRRESEALQAV--ATPNRVVATGGGMVLLEQNRQFMRAHGTVVYLFAPAEELALRLQ-----------IAEEMEAVLREREALYQDVAHYVVDATQPPAAIVCELMQTMRLPAA
General information:
TITO was launched using:
RESULT:
Template:
1SHK.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -90722 for 1184 contacts (-76.6/contact) +
2D Compatibility (PS) -16293 + (NN) -7318 + (LL) 904
1D Compatibility (HY) -10000 + (ID) 1950
Total energy: -125379.0 ( -105.89 by residue)
QMean score : 0.633
(partial model without unconserved sides chains):
PDB file :
Tito_1SHK.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-1SHK-query.scw
PDB file :
Tito_Scwrl_1SHK.pdb
: