1Q0D
crystal structure of ni-containing superoxide dismutase with ni-ligation corresponding to the oxidized state
Total interactions analyzed 66
Total true interactions 26
Strongest Interaction Chains A-F
Int. Res. 86
Norm. En. per Res. -4.5182
Hub Node A(4)
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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 -29.9888 -21.7092 -76.6245 -128.3224 42 6 2 3584 2 12 16
A-C -22.3852 -34.6416 -256.914 -313.9408 96 13 13 10832 4 34 32
A-D -31.0977 -23.1031 -72.7849 -126.9857 42 3 2 3436 2 12 16
A-F -107.6611 -41.4067 -239.497 -388.5648 86 14 0 8255 10 52 52
B-C -106.1577 -39.6746 -237.411 -383.2432 86 12 0 8353 10 52 52
B-D -28.9136 -20.5609 -74.6163 -124.0908 42 5 2 3535 2 12 16
B-E -26.1657 -32.1552 -267.108 -325.4289 96 11 13 10898 4 34 32
C-E -30.2933 -20.5703 -76.6485 -127.5121 41 3 2 3575 2 12 16
C-F -27.8652 -20.0256 -77.3177 -125.2086 42 4 2 3602 2 12 16
D-E -105.8392 -42.2306 -238.019 -386.0888 89 15 0 8331 10 52 52
D-F -24.448 -33.4588 -261.537 -319.4438 94 11 12 10831 4 34 32
D-H -8.3721 10.0269 -41.4655 -39.8107 21 1 0 1432 0 8 7
D-I 0.0 19.3376 -36.0314 -16.6938 24 2 0 1350 0 11 10
E-F -30.5285 -20.4197 -74.2288 -125.177 41 3 2 3522 2 12 16
G-H -29.9021 -19.8661 -78.9523 -128.7206 42 6 2 3648 2 12 17
G-I -26.8826 -33.3017 -255.592 -315.7763 91 12 13 10774 4 36 31
G-J -33.0749 -21.7053 -74.87 -129.6502 42 3 2 3523 2 12 15
G-L -105.6737 -41.0523 -237.652 -384.378 88 14 0 8422 10 53 53
H-I -110.3095 -39.2304 -236.235 -385.775 87 12 0 8265 10 52 52
H-J -28.4433 -21.5719 -76.9731 -126.9883 41 4 2 3565 2 12 16
H-K -22.3374 -36.2292 -252.311 -310.8776 93 12 12 10817 4 34 32
I-K -32.3998 -22.4877 -73.6498 -128.5373 42 4 2 3502 2 12 17
I-L -28.0708 -20.9845 -76.7977 -125.853 42 6 2 3599 2 12 17
J-K -103.1752 -39.5693 -235.692 -378.4365 87 15 0 8290 10 52 52
J-L -21.8743 -49.246 -260.823 -331.9434 94 12 12 10976 4 34 32
K-L -31.4043 -20.0555 -75.8625 -127.3224 42 4 2 3522 2 12 17