Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MNLSLEGKTYVVMGVANKRSIAWAIARSLNEAGAKLVFTYADDRAKKSITELVPSLSEVNQNPLILACDVTSEEAITETFETIKDKAGKLSGLAHCIAFANKDFLTGDYLEVDRKSFLQAHEISAYSFTAVARALKHLEMLTEDASLLTLTYLGGERVVENYNIMGVAKASLDASVRYLAMDLGAIGVRVNAISAGPIRTVSARGVSGFSDSISLVEERAPLKRATQAEEVGDTAYYLFSNLSRGVTGEVIHVDSGYHIIGF
3GR6 Chain:D ((6-259))
--LNLENKTYVIMGIANKRSIAFGVAKVLDQLGAKLVFTYRKERSRKELEKLLEQLNQPEAH--LYQIDVQSDEEVINGFEQIGKDVGNIDGVYHSIAFANMEDLRGRFSETSREGFLLAQDISSYSLTIVAHEAKKL--MPEGGSIVATTYLGGEFAVQNYNVMGVAKASLEANVKYLALDLGPDNIRVNAISAGPIRTLSAKGVGGFNTILKEIEERAPLKRNVDQVEVGKTAAYLLSDLSSGVTGENIHVDSGFHAI--
General information:
TITO was launched using:
RESULT:
Template:
3GR6.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -174317 for 2243 contacts (-77.7/contact) +
2D Compatibility (PS) -27715 + (NN) -8196 + (LL) 436
1D Compatibility (HY) -24800 + (ID) 6900
Total energy: -241492.0 ( -107.66 by residue)
QMean score : 0.566
(partial model without unconserved sides chains):
PDB file :
Tito_3GR6.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-3GR6-query.scw
PDB file :
Tito_Scwrl_3GR6.pdb
: