2BT4
type ii dehydroquinase inhibitor complex
Total interactions analyzed 66
Total true interactions 33
Strongest Interaction Chains G-H
Int. Res. 67
Norm. En. per Res. -4.833
Hub Node A(6)
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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 -54.9453 -91.7143 -1.4976 -148.1572 75 29 4 7545 6 17 19
A-C -41.8118 -84.0416 -179.087 -304.9405 66 12 4 7065 6 16 19
A-D -96.5929 28.156 -269.646 -338.083 91 7 4 9058 0 18 36
A-E 0.0 0.0 -0.4825 -0.4825 2 0 0 24 0 0 0
A-F 0.0 0.0 -0.0046 -0.0046 2 0 0 4 0 3 1
A-G 0.0 0.0 -0.0045 -0.0045 3 0 0 5 0 3 1
B-C -42.3194 -42.8355 -185.723 -270.8779 66 5 4 6925 6 16 19
B-D 0.0 0.0 -0.6373 -0.6373 8 0 0 58 0 0 0
B-E 0.0 0.0 -0.0729 -0.0729 2 0 0 3 0 0 0
B-G -105.5551 35.6009 -271.505 -341.4591 92 7 4 9071 0 18 35
B-I 0.0 0.0 -0.0084 -0.0084 3 0 0 7 0 3 1
B-J 0.0 0.0 -0.0068 -0.0068 2 0 0 5 0 3 1
C-D 0.0 0.0 -0.0101 -0.0101 2 0 0 7 0 3 1
C-J -92.6365 27.5903 -267.101 -332.1472 92 7 4 8968 0 18 36
C-L 0.0 0.0 -0.0076 -0.0076 2 0 0 5 0 3 1
D-E -27.2973 -74.4855 103.271 1.4881 82 45 3 7579 6 16 18
D-F -42.7347 -78.7999 -191.435 -312.9696 66 7 4 7121 6 16 19
D-L 0.0 0.0 -0.0064 -0.0064 2 0 0 5 0 3 1
E-F -42.4512 -47.4815 -186.318 -276.2506 66 12 4 7108 6 16 19
E-H 0.0 0.0 -0.0071 -0.0071 2 0 0 5 0 3 1
E-K 0.0 0.0 -0.0044 -0.0044 2 0 0 4 0 3 1
E-L -99.1204 32.4355 -270.376 -337.0609 94 6 4 9107 0 18 35
F-G 0.0 0.0 -0.0074 -0.0074 3 0 0 6 0 3 1
F-H -87.8958 30.5353 -257.902 -315.2625 91 7 4 8903 0 18 35
G-H -55.3852 -80.6064 -187.822 -323.8137 67 12 4 7115 7 16 19
G-I -31.5624 -35.6984 -185.9 -253.1608 65 9 3 6978 6 16 19
H-I -39.5553 -77.6656 -186.164 -303.3849 65 9 4 7088 6 16 19
H-K 0.0 0.0 -0.0047 -0.0047 2 0 0 4 0 3 1
I-J 0.0 0.0 -0.0092 -0.0092 2 0 0 6 0 3 1
I-K -99.4213 29.2571 -266.939 -337.1033 92 7 4 9033 0 18 35
J-K -35.7971 -33.2267 -188.885 -257.9088 67 6 4 7038 6 16 19
J-L -46.2161 -43.0626 -180.91 -270.1887 65 9 4 7052 6 16 19
K-L -36.9622 -74.7217 -181.892 -293.5759 65 9 4 7061 5 16 19