3M2V
structural insight into methyl-coenzyme m reductase chemistry using coenzyme b analogues
Total interactions analyzed 15
Total true interactions 14
Strongest Interaction Chains B-C
Int. Res. 222
Norm. En. per Res. -5.3361
Hub Node A(5)
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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 -17.9057 -15.6107 -310.925 -344.4415 128 16 3 12063 4 30 33
A-C -117.8652 -93.0942 -747.781 -958.7404 200 41 5 27581 11 64 74
A-D -291.1474 -123.1433 -1586.74 -2001.0307 393 71 38 57861 12 116 101
A-E -89.8272 -50.9541 -659.303 -800.0843 211 17 16 24916 3 31 21
A-F -39.2998 -38.6852 -124.95 -202.935 67 5 2 5903 6 34 33
B-C -216.9102 -251.8081 -715.886 -1184.6044 222 34 26 28074 17 73 56
B-D -90.6434 -50.9766 -644.208 -785.828 215 24 16 24509 3 31 21
B-E -112.4227 26.2431 -551.503 -637.6827 200 24 22 23953 1 55 44
B-F 0.0 0.0 -33.221 -33.221 23 0 1 1118 0 0 0
C-D -45.8794 -37.2337 -118.236 -201.3492 64 4 2 5624 6 30 30
C-E 0.0 0.0 -30.917 -30.917 22 0 1 1114 0 0 1
D-E -24.1955 -39.5979 -304.365 -368.1584 126 17 3 12049 6 30 34
D-F -137.86 -102.2043 -769.63 -1009.6943 199 40 5 27903 12 64 71
E-F -221.4597 -219.3236 -731.534 -1172.3173 220 33 26 28664 18 73 55