Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MRKPIIAGNWKMNKTAAKAGQFAEDVKNNVPSSDAVESVVAAPALFLQELVRLTEGTDLRVSAQNCYFEDEGAFTGEISPFALADLGVSYVIIGHSERREYFHETDEDINKKAHAIFKHGMTPIICCGETLDQREAGQTDTWVRGQIRAALAGLTEEQVIKSVIAYEPIWAIGTGKSSTSADANETCAVIRAEVADAVSQKAADAVRIQYGGSVKPENIADYLAESDIDGALVGGASLEPASFLALLEAVK
1SPQ Chain:A ((3-245))
-RKFFVGGNWKMNGDKKSLGELIHTLNGAKLSAD-TEVVCGAPSIYL-DFARQKLDAKIGVAAQNCYKVPKGAFTGEISPAMIKDIGAAWVILGHSERRHVFGESDELIGQKVAHALAEGLGVIACIGEKLDEREAGITEKVVFEQTKAIADNVKDWS--KVVLAYEPVWAIG--KTKTPQQAQEVHEKLRGWLKSHVSDAVAQSTRIIYGGSVTGGNCKELASQHDVDGFLVGGASLKP-EFVDIINA--
General information:
TITO was launched using:
RESULT:
Template:
1SPQ.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -90696 for 1951 contacts (-46.5/contact) +
2D Compatibility (PS) -26348 + (NN) -10173 + (LL) 1148
1D Compatibility (HY) -17200 + (ID) 5100
Total energy: -148369.0 ( -76.05 by residue)
QMean score : 0.519
(partial model without unconserved sides chains):
PDB file :
Tito_1SPQ.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-1SPQ-query.scw
PDB file :
Tito_Scwrl_1SPQ.pdb
: