Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MKNAFKAFALLIVFFSNALLAQDLKIAAAANLTRALKALVKEFQKEHPKDAINISFNSSGKLYAQIAQNAPFDLFISADIARPKKLYDEK--ITPFKEEVYAKGVLVLWSENLKMDSLEILKDPKIKRIAMANPKLAPYGKASMEVLDRLKLTPSLKSKIIYGASISQAHQFIATKNAQIGFGALSLIDKKDKNLSYFIIDKTLYNPIEQALIITKNGANNPLAKVFKDFLFSPKARAIFKEYGYIVD
4KD5 Chain:C ((7-229))
----------------------ELNISAAASLKEAMAKIEEEYKKVDSNVKLTVNYGASGSLQQQIEQGAPCDLFISAGQKQMKVLDEEKLLVSDTMKDLVKNDLVLISSADSSVSGMKDLTTDKVKKIAVGEAESVPAGKYADEVLTNLNLKDKLKDKLVFAKDVKEVLAWVQSGNADVGFVYFSDTVNNDKIKVVEKTDEKTHSPITYPVSVIKASKNVDAAKKFEEFLLSESGQKIFEEFGYKKV
General information:
TITO was launched using:
RESULT:
Template:
4KD5.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -138850 for 1769 contacts (-78.5/contact) +
2D Compatibility (PS) -23555 + (NN) -10644 + (LL) 2616
1D Compatibility (HY) -13200 + (ID) 3350
Total energy: -186983.0 ( -105.70 by residue)
QMean score : 0.641
(partial model without unconserved sides chains):
PDB file :
Tito_4KD5.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-4KD5-query.scw
PDB file :
Tito_Scwrl_4KD5.pdb
: