1Q0F
crystal structure of ni-containing superoxide dismutase with ni-ligation corresponding to the state after partial x-ray-induced reduction
Total interactions analyzed 66
Total true interactions 26
Strongest Interaction Chains B-C
Int. Res. 86
Norm. En. per Res. -4.7119
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 -30.3404 -22.1245 -77.3281 -129.793 42 5 2 3601 2 12 17
A-C -23.5372 -34.8103 -239.34 -297.6875 97 20 13 10761 4 34 32
A-D -31.6091 -24.6258 -73.8215 -130.0564 42 2 2 3482 2 12 16
A-F -119.3101 -41.972 -240.204 -401.4862 87 15 0 8269 10 52 52
B-C -120.2834 -41.3458 -243.598 -405.2271 86 14 0 8350 10 52 52
B-D -27.9667 -21.2809 -75.7492 -124.9968 41 5 2 3604 2 12 16
B-E -36.4661 -34.9634 -255.014 -326.4435 95 22 13 10901 4 35 32
C-E -29.7229 -20.7088 -77.6171 -128.0487 41 3 2 3585 2 12 16
C-F -27.0894 -20.022 -77.6609 -124.7722 41 3 2 3628 2 12 17
D-E -113.0121 -43.4138 -237.249 -393.6749 89 16 0 8330 10 52 52
D-F -35.7082 -35.3027 -248.577 -319.5879 94 19 12 10823 4 34 32
D-H -8.2725 9.5812 -40.5692 -39.2605 20 1 0 1438 0 8 7
D-I 0.0 18.4902 -36.3463 -17.8561 25 2 0 1365 0 11 10
E-F -30.7573 -20.3187 -75.1935 -126.2695 41 3 2 3512 2 12 16
G-H -27.1383 -20.8819 -80.2024 -128.2226 41 5 2 3666 2 12 17
G-I -36.9776 -34.1779 -242.906 -314.0615 92 24 13 10782 4 36 31
G-J -33.3491 -21.2408 -76.1539 -130.7439 41 3 2 3577 2 12 15
G-L -113.1835 -42.7419 -242.488 -398.4134 88 17 0 8434 10 53 53
H-I -115.8704 -38.5632 -243.839 -398.2725 87 12 0 8286 10 53 52
H-J -28.743 -22.691 -76.6042 -128.0381 41 3 2 3577 2 12 17
H-K -23.665 -37.4171 -245.477 -306.5592 94 23 13 10770 4 35 32
I-K -29.0825 -23.3439 -74.1388 -126.5652 42 4 2 3538 2 12 17
I-L -24.1713 -20.3122 -74.8499 -119.3334 42 2 2 3558 2 12 17
J-K -111.881 -39.9686 -238.318 -390.1676 87 15 0 8345 10 52 52
J-L -32.7619 -50.8681 -245.979 -329.609 94 21 13 10918 4 35 32
K-L -31.8427 -20.8574 -76.3685 -129.0685 41 3 2 3555 2 12 17