Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MEEMALAQQVPNLGLARFSVQDKSILITGATGSLGRVAARALADAGARLTLAGGNSAGLAELVNGA-GIDDAAVVTCRPDSLADAQQMVEAALGRYGRLDGVLVASGSNHVAPITEMAVEDFDAVMDANVRGAWLVCRAAGRVLLEQGQGGSVVLVSSVRGGLGNAAGYSAYCPSKAGTDLLAKTLAAEWGGHGIRVNALAPTVFRSAVTEWMFTDDPKGRATREAMLARIPLRRFAEPEDFVGALIYLLSDASSFYTGQVMYLDGGYTAC
1PR9 Chain:B ((8-244))
----------------------RRVLVTGAGKGIGRGTVQALHATGARVVAVSRTQADLDSLVRECPGIEPVCV------DLGD-WEATERALGSVGPVDLLVNNAAVALLQPFLEVTKEAFDRSFEVNLRAVIQVSQIVARGLIARGVPGAIVNVSS-QCSQRAVTNHSVYCSTKGALDMLTKVMALELGPHKIRVNAVNPTVVMTSMGQATWSDPHKAKT----MLNRIPLGKFAEVEHVVNAILFLLSDRSGMTTGSTLPVEGGFWAC
General information:
TITO was launched using:
RESULT:
Template:
1PR9.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -169764 for 2009 contacts (-84.5/contact) +
2D Compatibility (PS) -25573 + (NN) -9689 + (LL) 2984
1D Compatibility (HY) -16800 + (ID) 4300
Total energy: -223142.0 ( -111.07 by residue)
QMean score : 0.541
(partial model without unconserved sides chains):
PDB file :
Tito_1PR9.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-1PR9-query.scw
PDB file :
Tito_Scwrl_1PR9.pdb
: