Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MSLPHCETLLLEPIEGVLRITLNRPQSRNAMSLAMVGELRAVLAAVRDDRSVRALVLRGADGHFCAGGDIKDMAGARAAGAEAYRTLNRAFGSLLEEAQAAPQLLVALVEGAVLGGGFGLACVSDVAIAAADAQFGLPETSLGILP-AQIAPFVVRRIGLTQARRLALTAARFDGREALRLGLVHFCEADADALEQRLEETLEQLRRCAPNANAATKALLLASESGELGALLDDAARQFAEAVGGAEGSEGTLAFVQKRKPVWAQ
3PEA Chain:A ((4-260))
----MLKFLSVRVEDHIAVATLNHAP-ANAMSSQVMHDVTELIDQVEKDDNIRVVVIHGEGRFFSAGADIKEFTSVTEAK--QATELAQLGQVTFERVEKCSKPVIAAIHGAALGGGLEFAMSCHMRFATESAKLGLPELTLGLIPGFAGTQRLPRYVGKAKACEMMLTSTPITGAEALKWGLVNGVFAE-ETFLDDTLKVAKQIAGKSPATARAVLELLQTTKSSHYYEGVQREAQIFGEVFTSEDGREGVAAFLEKRKPSFSG
General information:
TITO was launched using:
RESULT:
Template:
3PEA.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -155361 for 2157 contacts (-72.0/contact) +
2D Compatibility (PS) -28042 + (NN) -12639 + (LL) 580
1D Compatibility (HY) -12400 + (ID) 3500
Total energy: -211362.0 ( -97.99 by residue)
QMean score : 0.484
(partial model without unconserved sides chains):
PDB file :
Tito_3PEA.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-3PEA-query.scw
PDB file :
Tito_Scwrl_3PEA.pdb
: