Density Maps of Urtica Dioica Agglutinin


Examples of PDMs around urtica dioica agglutinin (PDB code: 1EN2). The contours are colored in blue, black, yellow and red to represent the probability density distributions of non-covalent interacting nitrogen, carbon, sulfur, and oxygen respectively. The protein molecule is shown as the solvent asscessible surface model; surface protein atoms are colored in red, blue, yellow, and white for oxygen, nitrogen, sulfur, and carbon respectively. The carbohydrate ligand is shown in stick model.

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1, NH1
cutoff = 0.0006


2, C
cutoff = 0.0006


3, CH1E
cutoff = 0.0006


4, O
cutoff = 0.0006


5, CH0
cutoff = 0.0006


6, CH1S
cutoff = 0.0006


7, CH2E
cutoff = 0.0006


8, CH3E
cutoff = 0.0006


9, CR1E
cutoff = 0.0006


10, OH1
cutoff = 0.0006


11, OC
cutoff = 0.0006


12, OS
cutoff = 0.0006


13, CH2G
cutoff = 0.0006


14, CH2P
cutoff = 0.0006


15, NH1S
cutoff = 0.0006


16, NC2
cutoff = 0.0006


17, NH2
cutoff = 0.0006


18, CR1W
cutoff = 0.0006


19, CY2
cutoff = 0.0006


20, SC
cutoff = 0.0006


21, CF
cutoff = 0.0006


22, SM
cutoff = 0.0006


23, CY
cutoff = 0.0006


24, CW
cutoff = 0.0006


25, CRHH
cutoff = 0.0006


26, NH3
cutoff = 0.0006


27, CR1H
cutoff = 0.0006


28, C5
cutoff = 0.0006


29, N
cutoff = 0.0006


30, C5W
cutoff = 0.0006


31, HOH
cutoff = 0.0006


32, O.RX
cutoff = 0.0006


33, O.LX
cutoff = 0.0006


34, C.RX
cutoff = 0.0006


35, C.LX
cutoff = 0.0006


36, N.LX
cutoff = 0.0006

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