Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MSLPHCETLLLEPIEGVLRITLNRPQSRNAMSLAMVGELRAVLAAVRDDRSVRALVLRGADGHFCAGGDIKDMAGARAAGAEAYRTLNRAFGSLLEEAQAAPQLLVALVEGAVLGGGFGLACVSDVAIAAADAQFGLPETSLGILP-AQIAPFVVRRIGLTQARRLALTAARFDGREALRLGLVHFCEADADALEQRLEETLEQLRRCAPNANAATKALLLASESGELGALLDDAARQFAEAVGGAEGSEGTLAFVQKRKPVWAQ
3FDU Chain:A ((2-249))
---SLHPHLNANLEGGVLTLAINRPEAKNALYGELYLWIAKALDEADQNKDVRVVVLRGAEHDFTAGNDMKDFMGFVQNPN-AGPAGQVPPFVLLKSAARLSKPLIIAVKGVAIGIGVTILLQADLVFADNTALFQIPFVSLGLSPEGGASQLLVKQAGYHKAAELLFTAKKFNAETALQAGLVNEIVED---AYATAQATAQHLTALPLASLKQTKALMKHDLD-QIIECIDHEAEIFMQRVQSPEMLEAVQAFM---------
General information:
TITO was launched using:
RESULT:
Template:
3FDU.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -149328 for 2045 contacts (-73.0/contact) +
2D Compatibility (PS) -27054 + (NN) -10364 + (LL) 1320
1D Compatibility (HY) -11600 + (ID) 3450
Total energy: -200476.0 ( -98.03 by residue)
QMean score : 0.433
(partial model without unconserved sides chains):
PDB file :
Tito_3FDU.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-3FDU-query.scw
PDB file :
Tito_Scwrl_3FDU.pdb
: