3AG4
bovine heart cytochrome c oxidase in the cyanide ion-bound fully reduced state at 100 k
Total interactions analyzed 325
Total true interactions 92
Strongest Interaction Chains E-I
Int. Res. 54
Norm. En. per Res. -6.5955
Hub Node A(15)
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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 -101.5376 -69.1566 -911.809 -1082.5032 295 25 34 37789 5 37 41
A-C -93.0073 -80.3287 -763.894 -937.23 243 17 22 29837 6 16 21
A-D -13.7556 -14.6406 -315.889 -344.2852 148 7 14 12474 2 19 20
A-E 0.0 0.0 -0.1071 -0.1071 10 0 0 32 0 3 1
A-F -72.2153 -16.1628 -380.752 -469.1302 105 10 10 14174 0 12 5
A-G -30.3424 2.5303 -85.9624 -113.7745 39 2 0 3402 0 11 3
A-H 0.0 0.0 -26.4627 -26.4627 22 0 0 988 0 3 0
A-I 0.0 0.0 -18.4427 -18.4427 17 1 0 603 0 0 4
A-J 0.0 2.5798 -41.2734 -38.6936 37 1 3 2181 0 2 2
A-K -3.2615 2.158 -68.1508 -69.2543 45 1 0 2785 0 2 4
A-L -56.1109 -3.8299 -485.082 -545.0228 141 16 12 17783 1 22 15
A-M -91.3073 -26.8771 -314.571 -432.7554 97 19 5 11887 3 10 7
A-P 0.0 0.0 -0.0585 -0.0585 5 0 0 32 0 0 1
A-S 0.0 0.0 -0.0041 -0.0041 2 0 0 4 0 0 0
A-T -5.1516 0.0 -181.364 -186.5156 74 7 7 7453 0 2 1
B-C 0.0 0.0 -1.3193 -1.3193 8 0 0 111 0 1 2
B-D -43.5698 -5.6332 -221.549 -270.752 82 6 3 8287 3 20 18
B-E -14.0377 -10.2482 -62.5342 -86.8201 30 1 0 2606 0 7 9
B-F 0.0 0.0 -0.0613 -0.0613 5 0 0 25 0 0 2
B-H -50.5598 -13.9805 -291.048 -355.5882 85 12 2 10469 0 13 7
B-I -70.876 -31.9574 -411.202 -514.0354 145 14 12 15596 2 28 37
B-K 0.0 0.0 -32.5642 -32.5642 23 2 0 1420 0 5 3
B-T 0.0 0.0 -2.5943 -2.5943 15 0 0 356 0 0 1
C-F -31.6328 -30.259 -258.924 -320.8158 80 6 7 9495 2 28 9
C-G -60.6889 -40.877 -443.545 -545.1109 151 15 9 17129 4 30 19
C-H -2.6415 -7.4672 -59.4576 -69.5664 32 2 0 2306 0 4 2
C-J -31.9765 -51.0987 -390.731 -473.8062 120 8 6 15244 5 17 23
C-L 0.0 0.0 -1.7768 -1.7768 4 0 0 81 0 0 1
C-N 0.0 0.0 -0.0597 -0.0597 5 0 0 27 0 0 1
C-T 0.0 0.0 -8.5185 -8.5185 18 0 0 615 0 0 2
D-E -93.8426 -39.7437 -437.395 -570.9813 109 15 13 15994 4 45 44
D-F -13.3682 0.0 -33.5635 -46.9317 17 1 0 1172 0 6 1
D-I -23.6054 -27.1161 -103.966 -154.6876 49 3 3 3863 2 13 13
D-K -42.2064 -34.8379 -442.634 -519.6783 111 9 8 16294 1 22 24
D-L 0.0 0.0 -0.0438 -0.0438 6 0 0 21 0 0 1
D-M 0.0 0.6323 -57.4541 -56.8218 49 2 4 2552 0 4 4
E-F -5.7875 -19.0824 -45.7898 -70.6596 23 1 0 1476 1 7 9
E-I -77.2164 -96.7765 -182.164 -356.157 54 7 1 6127 7 20 14
F-G 0.0 0.0 -8.3738 -8.3738 5 0 0 373 0 0 0
F-J -7.5456 0.0 -34.105 -41.6506 21 1 0 1077 0 4 4
F-N 0.0 0.0 -0.0037 -0.0037 2 0 0 4 0 0 0
F-S 0.0 0.0 -10.6285 -10.6285 10 1 0 394 0 0 0
F-T 0.0 -19.6711 -7.1286 -26.7997 6 0 0 263 1 4 1
G-H -13.909 -11.9953 -54.8554 -80.7596 18 1 0 1900 2 6 6
G-N -5.0439 0.0 -187.942 -192.986 73 7 7 7230 0 2 1
G-O 0.0 0.0 -2.0695 -2.0695 15 0 0 273 0 0 1
G-P 0.0 0.0 -11.1624 -11.1624 16 1 0 719 0 0 2
G-S 0.0 -19.0031 -7.4584 -26.4615 6 0 0 267 1 4 1
H-U -7.4234 -0.9894 -64.7571 -73.1699 45 1 2 3651 0 17 16
I-K -2.419 0.0 -22.5369 -24.9559 12 0 0 685 0 2 3
J-L -5.6434 5.1826 -27.3001 -27.761 14 1 0 1124 0 0 4
K-M 0.0 0.0 -0.2881 -0.2881 4 0 0 50 0 0 0
L-M -32.7433 -9.7292 -179.945 -222.4175 68 5 10 7330 1 4 12
N-O -83.6185 -64.2895 -908.584 -1056.492 299 30 37 38201 5 36 41
N-P -90.8107 -88.1524 -763.941 -942.9042 244 14 22 29685 6 17 21
N-Q -9.8848 -30.9057 -328.256 -369.0465 151 7 15 12775 3 19 22
N-R 0.0 0.0 -0.1156 -0.1156 10 0 0 32 0 2 1
N-S -83.4832 -14.5863 -387.582 -485.6515 105 15 9 14391 0 13 6
N-T -32.1952 2.5503 -82.7629 -112.4078 38 2 0 3350 0 11 3
N-U 0.0 0.0 -25.8729 -25.8729 23 0 0 1012 0 3 0
N-V 0.0 0.0 -18.3302 -18.3302 17 0 0 590 0 0 4
N-W 0.0 0.0 -43.0594 -43.0594 38 1 3 2222 0 2 1
N-X -5.0841 2.1458 -67.4866 -70.425 47 1 0 2789 0 2 4
N-Y -41.6113 -10.0616 -473.661 -525.3339 140 15 13 17672 0 22 16
N-Z -89.1087 -23.6858 -309.005 -421.7995 98 16 6 11783 3 10 7
O-P 0.0 0.0 -1.2078 -1.2078 8 0 0 106 0 1 2
O-Q -39.2165 -4.1062 -215.625 -258.9476 83 15 3 8519 4 20 18
O-R -14.8252 -11.0203 -62.5238 -88.3692 31 1 0 2628 0 8 9
O-S 0.0 0.0 -0.06 -0.06 4 0 0 23 0 0 2
O-U -61.9192 -24.7814 -286.383 -373.0836 87 17 2 10726 2 13 7
O-V -59.0866 -27.4737 -404.477 -491.0373 143 23 13 15392 2 31 41
O-X 0.0 0.0 -30.501 -30.501 22 1 0 1407 0 5 3
P-S -26.9721 -30.0097 -249.367 -306.3488 81 5 7 9233 2 29 10
P-T -74.2195 -43.3281 -446.643 -564.1906 152 16 9 16920 4 30 18
P-U 0.0 -7.4442 -56.8968 -64.341 30 1 0 2295 0 4 2
P-W -31.9733 -7.1323 -379.416 -418.5216 118 10 7 15185 5 16 23
P-Y 0.0 0.0 -1.2733 -1.2733 2 0 0 65 0 0 1
Q-R -82.1179 -41.3502 -446.984 -570.4521 109 16 12 16133 5 45 45
Q-S -15.0831 0.0 -35.9308 -51.0139 19 1 0 1230 0 6 1
Q-V -19.4129 -26.9529 -103.026 -149.3918 48 2 3 3857 2 13 14
Q-X -23.8045 -29.4756 -446.914 -500.1941 112 18 8 16396 2 23 24
Q-Y 0.0 0.0 -0.0616 -0.0616 4 0 0 19 0 1 1
Q-Z 0.0 0.9177 -53.0574 -52.1397 46 1 4 2461 0 5 4
R-S -6.2282 -18.1084 -44.277 -68.6137 23 0 0 1476 1 7 7
R-V -91.2278 -53.2876 -184.131 -328.6464 53 13 1 6186 7 20 13
S-T 0.0 0.0 -7.9514 -7.9514 5 0 0 333 0 0 0
S-W -8.1169 0.0 -33.3593 -41.4762 21 0 0 1047 0 3 3
T-U -9.2545 -9.5248 -55.4337 -74.213 18 1 0 1920 2 6 6
V-X -9.8322 0.0 -24.298 -34.1302 12 1 0 741 0 2 3
W-Y -11.5577 2.7359 -23.1091 -31.9308 15 1 0 1142 0 0 4
X-Z 0.0 0.0 -0.2746 -0.2746 4 0 0 51 0 0 0
Y-Z -33.2063 -10.614 -187.377 -231.1973 69 4 9 7341 1 4 12