3LM1
crystal structure analysis of maclura pomifera agglutinin complex with p-nitrophenyl-galnac
Total interactions analyzed 120
Total true interactions 49
Strongest Interaction Chains C-L
Int. Res. 29
Norm. En. per Res. -5.0394
Hub Node A(9)
Click on the Nodes or Edges in the network to see the details
Weak Strong
Width of edge <-> No. of inter. res.
All Interactions
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Chains Hydro. Bond Ener. (kJ/mol) Elec. Ener. (kJ/mol) VDW. Ener. (kJ/mol) Tot. Stab. Ener. (kJ/mol) #int. res. # Short cont. #Hydr. int. #VDW pairs #salt bridges #Pot. fav. elec. int #Pot. unfav. elec. int int. res.
A-B -30.1442 0.0 -160.08 -190.2242 54 7 7 6056 0 4 1
A-C 0.0 24.0124 -37.332 -13.3196 22 2 0 1413 0 4 4
A-E 0.0 0.0 -63.2039 -63.2039 36 7 0 2309 0 0 4
A-F -38.4149 -2.7725 -88.7139 -129.9012 38 5 0 3296 0 7 2
A-G -9.1299 0.0 -29.3294 -38.4593 24 6 1 1211 0 4 2
A-H 0.0 0.0 -4.2956 -4.2956 8 0 0 194 0 2 2
A-I 0.0 0.0 -5.2754 -5.2754 4 0 1 273 0 0 0
A-M -9.0458 -33.4969 -32.4965 -75.0392 47 4 1 1672 4 2 5
A-N -31.6425 0.0 -112.578 -144.2205 29 13 4 4064 0 1 2
B-E -41.612 -3.1847 -90.0497 -134.8464 38 5 0 3391 0 7 2
B-G -7.5893 0.0 -4.7536 -12.3429 7 0 0 220 0 2 2
B-J 0.0 0.0 3.3633 3.3633 9 4 0 236 0 0 1
B-M -34.8548 0.0 -112.317 -147.1718 31 13 4 4280 0 1 2
B-N 0.0 0.0 -3.2856 -3.2856 8 3 2 381 0 0 0
C-D -37.7186 5.9921 -177.476 -209.2025 56 8 7 6386 0 4 3
C-G 0.0 0.0 -55.5076 -55.5076 36 7 0 2302 0 0 4
C-H -48.1369 -2.9027 -96.6075 -147.6471 39 5 0 3373 0 7 2
C-K -19.4897 -32.6847 -35.0032 -87.1776 47 4 1 1829 4 2 6
C-L -28.2327 0.0 -117.91 -146.1427 29 12 4 4122 0 1 2
C-O 0.0 0.0 -5.4786 -5.4786 4 0 1 282 0 0 0
D-G -32.736 -2.7197 -82.5276 -117.9833 33 4 0 2955 0 3 1
D-K -30.6254 0.0 -114.473 -145.0984 30 11 4 4157 0 0 2
D-L 0.0 0.0 -3.7464 -3.7464 8 3 2 356 0 0 0
D-P 0.0 0.0 -0.9038 -0.9038 7 0 0 106 0 0 1
E-F -38.1477 6.4608 -170.205 -201.8919 55 4 7 6148 0 4 2
E-G -8.7941 25.8257 -37.5658 -20.5342 23 2 0 1380 0 4 4
E-I -16.6966 -34.215 -32.6208 -83.5324 47 3 1 1686 4 2 5
E-J -29.5812 0.0 -115.936 -145.5172 29 12 4 4140 0 1 2
E-M 0.0 0.0 -5.9404 -5.9404 4 0 1 297 0 0 0
F-I -28.2447 0.0 -110.088 -138.3327 29 10 4 4100 0 1 2
F-J 0.0 0.0 -4.0864 -4.0864 8 3 2 364 0 0 0
F-N 0.0 0.0 -1.5861 -1.5861 9 0 0 124 0 0 3
G-H -39.0169 5.2421 -174.458 -208.2328 55 6 6 6257 0 4 2
G-K 0.0 0.0 -6.1672 -6.1672 4 0 1 279 0 0 0
G-O -16.3482 -31.068 -35.3228 -82.739 46 4 1 1812 4 2 5
G-P -32.205 0.0 -113.122 -145.327 29 12 4 4075 0 1 2
H-L 0.0 0.0 -0.7177 -0.7177 8 0 0 103 0 0 1
H-O -31.9991 0.0 -114.586 -146.5851 30 12 4 4184 0 0 2
H-P 0.0 0.0 -4.1685 -4.1685 8 2 2 369 0 0 0
I-J -30.6019 5.5651 -164.206 -189.2427 54 4 7 6055 0 4 2
I-M 0.0 0.0 -53.02 -53.02 30 7 0 2124 0 0 4
I-N -32.1907 -2.7885 -85.4483 -120.4274 36 4 0 3121 0 7 2
J-M -36.1084 -2.9603 -83.9021 -122.9708 34 3 0 2966 0 3 1
K-L -39.294 2.7761 -163.967 -200.4849 55 6 7 6060 0 4 1
K-O 0.0 0.0 -54.979 -54.979 33 6 0 2201 0 0 4
K-P -39.523 -2.6846 -91.1618 -133.3694 37 5 0 3315 0 7 2
L-O -34.852 -2.7139 -81.2977 -118.8636 34 4 0 2912 0 3 1
M-N -32.3453 4.7147 -157.248 -184.8786 54 4 7 6011 0 4 2
O-P -31.607 4.8874 -165.683 -192.4027 54 4 6 6048 0 4 2