Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MSDKKTQTRARILGAATQALLERGAVEPSVGEVMGAAGLTVGGFYAHFQSKDALMLEAFEQLLGKRRELLGELDPGLSGKERRALAAAFY-LSRKHRDAQVDAGCPLPATLAEVARLPEG-----------FREVLSRHVEIMVTSLAESPEETDVALADLVLMIGGLALARALGPGELSDRVLRAAKQAVN
3DPJ Chain:A ((6-139))
----QAQTRDQIVAAADELFYRQGFAQTSFVDISAAVGISRGNFYYHFKTKDEILAEVIRLRLARTAQMLADWQG--TGDSPRARIASFIDLMIMNRAKITRYGCPVGSLCTELSKLDHAAQGQANGLFTLFRDWLQRQF----------------------------------------------------
General information:
TITO was launched using:
RESULT:
Template:
3DPJ.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -32898 for 766 contacts (-42.9/contact) +
2D Compatibility (PS) -13475 + (NN) -7654 + (LL) 4584
1D Compatibility (HY) -8800 + (ID) 1800
Total energy: -60043.0 ( -78.39 by residue)
QMean score : 0.507
(partial model without unconserved sides chains):
PDB file :
Tito_3DPJ.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-3DPJ-query.scw
PDB file :
Tito_Scwrl_3DPJ.pdb
: