Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MHASTGKGSKIKYSRVLFKISGEALMGSRPFGHDMELIDQLCKDISDIYKLGVQVCIVVGGGNIFRGASASLSGCERASSDYIGMLATIINALILQNFL-EKNSVNSKVLSAIPMVTICEPYIRRKAIHHLEKGRVVIFAAGTGNPFFTTDTAAALRAVETNCDAILKGTQ-VNGVYSADPKKNEDAVMYDRLSYMDLLTRDLKVVDASAISLARENSIPIIVFSLKEEKIV-NIVKGHGTYTIVSDCE
2JJX Chain:A ((12-246))
------------YKRVLIKLSGGALADQTGNSFNSKRLEHIANEILSIVDLGIEVSIVIGGGNIFRGHLAEEWGIDRVEADNIGTLGTIINSLMLRGVLTSKTNKEVRVMTSIPFNAVAEPYIRLRAVHHLDNGYIVIFGGGNGQPFVTTDYPSVQRAIEMNSDAILVAKQGVDGVFTSDPKHNKSAKMYRKLNYNDVVRQNIQVMDQAALLLARDYNLPAHVFNFDEPGVMRRICLGEHVGTLINDDA
General information:
TITO was launched using:
RESULT:
Template:
2JJX.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -222154 for 1897 contacts (-117.1/contact) +
2D Compatibility (PS) -26087 + (NN) -15743 + (LL) 444
1D Compatibility (HY) -20800 + (ID) 4900
Total energy: -289240.0 ( -152.47 by residue)
QMean score : 0.537
(partial model without unconserved sides chains):
PDB file :
Tito_2JJX.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-2JJX-query.scw
PDB file :
Tito_Scwrl_2JJX.pdb
: