Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MSDKKTQTRARILGAATQALLERGAVEPSVGEVMGAAGLTVGGFYAHFQSKDALMLEAFEQLLGKRRELLGELDPG-LSGKERRALAAAFYLSRKHRDAQVDAGCPLPATLAEVARLPEGFREVLSRHVEIMVTSLAE-S------PEETDVALADLVLMIGGLALARALGPGELSDRVLRAAKQAVN
3DPJ Chain:A ((5-185))
---VQAQTRDQIVAAADELFYRQGFAQTSFVDISAAVGISRGNFYYHFKTKDEILAEVIRLRLARTAQMLADWQGTGDSPRARIASFIDLMIMNRAK--ITRYGCPVGSLCTELSKLDHAAQGQANGLFTLFRDWLQRQFAEAGCTTEAPALAMHLLARSQGAATLAQSFHDEGFLRSEVADMHRW--
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) -66609 for 1242 contacts (-53.6/contact) +
2D Compatibility (PS) -19169 + (NN) -10978 + (LL) 284
1D Compatibility (HY) -7200 + (ID) 1750
Total energy: -105422.0 ( -84.88 by residue)
QMean score : 0.549
(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
: