Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MHASTGKGSKIKYSRVLFKISGEALMGSRPFGHDMELIDQLCKDISDIYKLGVQVCIVVGGGNIFRGASASLSGCERASSDYIGMLATIINALILQNFLEKNSVNSKVLSAIPMVTICEPYIRRKAIHHLEKGRVVIFAAGTGNPFFTTDTAAALRAVETNCDAILKGTQVNGVYSADPKKNEDAVMYDRLSYMDLLTRDLKVVDASAISLARENSIPIIVFSLKEEKI-VNIVKGHGTYTIVSDCE
3EK5 Chain:D ((5-240))
--------SELSYRRILLKLSGEALMGDGDYGIDPKVINRLAHEVIEAQQAGAQVALVIGGGNIFRGAGLAASGMDRVTGDHMGMLATVINALAMQDALEKLGAKVRVMSAIKINDVCEDFIRRRAIRHLEKGRIAIFAAGTGNPFFTTDSGAALRAIEIGADLLLKATKVDGVYDKDPKKHSDAVRYDSLTYDEVIMQGLEVMDTAAFALARDSDLPLRIFGMSEPGVLLRILHGAQIGTLVQGRS
General information:
TITO was launched using:
RESULT:
Template:
3EK5.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -207085 for 1916 contacts (-108.1/contact) +
2D Compatibility (PS) -26306 + (NN) -16982 + (LL) 140
1D Compatibility (HY) -21200 + (ID) 5800
Total energy: -277233.0 ( -144.69 by residue)
QMean score : 0.563
(partial model without unconserved sides chains):
PDB file :
Tito_3EK5.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-3EK5-query.scw
PDB file :
Tito_Scwrl_3EK5.pdb
: