3AG1
bovine heart cytochrome c oxidase in the carbon monoxide-bound fully reduced state at 280 k
Total interactions analyzed 325
Total true interactions 94
Strongest Interaction Chains E-I
Int. Res. 52
Norm. En. per Res. -6.5851
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 -91.4167 -77.3679 -886.373 -1055.1577 298 27 35 37396 6 36 41
A-C -90.4323 -91.793 -720.331 -902.5563 242 14 20 28749 6 17 21
A-D -13.5808 -26.9994 -314.545 -355.1252 149 6 14 12576 3 19 22
A-E 0.0 0.0 -0.0847 -0.0847 10 0 0 30 0 2 1
A-F -61.7164 -16.0286 -366.367 -444.112 103 11 11 14089 0 12 5
A-G -37.3116 2.5126 -80.3463 -115.1453 38 2 0 3329 0 11 3
A-H 0.0 0.0 -18.5577 -18.5577 24 5 0 1049 0 3 0
A-I 0.0 0.0 -17.7622 -17.7622 16 0 0 582 0 0 4
A-J 0.0 0.0 -39.0431 -39.0431 37 2 3 2105 0 2 1
A-K 0.0 2.1574 -65.2392 -63.0818 45 0 0 2711 0 2 4
A-L -43.3449 -1.1947 -453.448 -497.9876 139 12 12 17344 0 23 15
A-M -67.542 -18.1812 -299.294 -385.0173 98 13 6 11534 2 10 7
A-P 0.0 0.0 -0.046 -0.046 4 0 0 26 0 0 1
A-S 0.0 0.0 -0.0008 -0.0008 2 0 0 2 0 0 0
A-T 0.0 0.0 -168.322 -168.322 71 3 7 6854 0 2 1
B-C 0.0 0.0 -1.3251 -1.3251 8 0 0 114 0 1 2
B-D -35.6414 -4.1599 -214.013 -253.8143 82 4 3 8154 3 20 18
B-E -18.0042 -13.8751 -60.37 -92.2493 30 2 0 2573 0 8 8
B-F 0.0 0.0 -0.0117 -0.0117 4 0 0 9 0 0 2
B-H -67.7012 -13.8086 -291.268 -372.7778 86 15 2 10699 0 13 7
B-I -63.5122 -25.5431 -407.244 -496.2993 147 21 13 15690 2 29 37
B-K 0.0 0.0 -32.9541 -32.9541 23 2 0 1420 0 5 3
B-T 0.0 0.0 -2.6299 -2.6299 17 0 0 351 0 0 1
C-F -29.1724 -30.248 -247.47 -306.8904 82 4 7 9234 2 29 10
C-G -64.0516 -41.9762 -424.14 -530.1678 154 12 8 16647 2 30 18
C-H -2.7482 -6.7086 -59.3011 -68.7579 30 0 0 2391 0 4 3
C-J -33.2981 -7.107 -362.809 -403.2141 118 7 6 14707 5 18 23
C-L 0.0 0.0 -1.449 -1.449 5 0 0 84 0 0 1
C-N 0.0 0.0 -0.0436 -0.0436 5 0 0 23 0 0 1
C-T 0.0 0.0 -10.8836 -10.8836 17 0 0 740 0 0 2
D-E -98.9144 -29.6267 -417.094 -545.6351 108 15 12 15577 3 46 44
D-F -14.2224 0.0 -31.9315 -46.1539 18 1 0 1087 0 6 0
D-I -14.3668 -22.5587 -93.6854 -130.6108 46 3 3 3736 2 13 12
D-K -23.8243 -20.5199 -431.378 -475.7222 110 12 8 16135 2 22 24
D-L 0.0 0.0 -0.0833 -0.0833 6 0 0 28 0 1 1
D-M 0.0 0.6357 -52.7502 -52.1145 50 2 3 2451 0 5 4
E-F -7.3794 -18.3078 -40.9514 -66.6386 21 0 0 1400 1 7 7
E-I -76.5173 -96.2919 -169.617 -342.4262 52 8 1 6017 7 19 13
F-G 0.0 0.0 -5.9972 -5.9972 7 2 0 355 0 0 0
F-J -6.4723 0.0 -32.1515 -38.6238 21 0 0 1044 0 3 3
F-N 0.0 0.0 -0.001 -0.001 2 0 0 3 0 0 0
F-P 0.0 0.0 -0.0016 -0.0016 2 0 0 1 0 3 4
F-S 0.0 0.0 -19.5391 -19.5391 10 1 0 448 0 0 0
F-T 0.0 -19.1086 -6.0863 -25.1949 6 0 0 249 1 5 1
G-H -6.4883 -8.8625 -49.1466 -64.4973 18 1 0 1827 2 6 6
G-N 0.0 0.0 -158.777 -158.777 72 4 6 6679 0 2 1
G-O 0.0 0.0 -2.1514 -2.1514 15 0 0 242 0 0 1
G-P 0.0 0.0 -10.8488 -10.8488 17 1 0 721 0 0 2
G-S 0.0 -19.2716 -6.2868 -25.5584 6 0 0 243 1 5 1
H-U 0.0 3.3471 -50.4661 -47.119 44 2 2 3266 0 13 16
I-K -8.1238 0.0 -20.7399 -28.8637 12 1 0 677 0 2 3
J-L -13.6712 3.8152 -28.4823 -38.3383 15 3 0 1143 0 0 4
K-M 0.0 0.0 -0.1849 -0.1849 4 0 0 42 0 0 0
L-M -33.1427 -11.4565 -164.764 -209.3632 68 5 8 6936 1 4 12
N-O -90.3871 -77.3696 -872.704 -1040.4608 301 24 36 37283 6 37 42
N-P -90.0573 -87.5617 -710.784 -888.4031 243 16 23 28747 6 17 21
N-Q -21.9851 -21.3964 -310.65 -354.0315 149 7 15 12454 1 22 23
N-R 0.0 0.0 -0.0661 -0.0661 10 0 0 22 0 2 1
N-S -70.7046 -17.2672 -365.102 -453.0738 103 14 11 14176 0 12 6
N-T -18.5721 2.0155 -81.5794 -98.136 39 1 0 3300 0 11 3
N-U 0.0 0.0 -20.6072 -20.6072 23 4 0 1030 0 3 0
N-V 0.0 0.0 -17.3355 -17.3355 17 0 0 588 0 0 4
N-W 0.0 0.0 -40.9811 -40.9811 37 1 3 2130 0 2 1
N-X 0.0 2.2357 -61.4612 -59.2255 43 0 0 2652 0 2 4
N-Y -37.3622 -11.8706 -445.327 -494.5597 140 11 10 17207 0 21 14
N-Z -86.7769 -19.9277 -290.396 -397.1006 100 19 6 11585 2 10 7
O-P 0.0 0.0 -1.3338 -1.3338 9 0 0 106 0 1 2
O-Q -30.5642 -3.7605 -205.262 -239.5867 83 11 3 8202 3 20 18
O-R -23.6992 -10.2548 -58.7022 -92.6562 30 1 0 2537 0 7 8
O-S 0.0 0.0 -0.0125 -0.0125 4 0 0 11 0 0 2
O-U -65.0848 -15.6907 -286.799 -367.5745 87 18 2 10743 1 13 8
O-V -57.1139 -32.5338 -392.062 -481.7097 142 22 13 15469 1 31 40
O-X 0.0 0.0 -32.7154 -32.7154 22 1 0 1428 0 5 3
P-S -26.0481 -30.4928 -240.161 -296.7019 83 3 7 9156 2 28 10
P-T -61.0862 -46.0777 -421.703 -528.8669 149 16 9 16639 3 30 18
P-U -3.261 -6.6531 -61.3611 -71.2752 31 1 0 2385 0 4 3
P-W -31.2048 -49.585 -362.994 -443.7838 117 10 6 14706 5 17 23
P-Y 0.0 0.0 -1.81 -1.81 4 0 0 73 0 0 1
Q-R -97.7207 -39.7722 -430.622 -568.1149 108 20 12 15622 4 45 44
Q-S -15.6891 0.0 -31.0622 -46.7513 19 1 0 1157 0 8 1
Q-V -13.6543 -24.626 -98.4455 -136.7258 49 1 3 3709 2 13 14
Q-X -21.8687 -23.0445 -422.944 -467.8571 109 9 8 15954 2 22 24
Q-Y 0.0 0.0 -0.1361 -0.1361 4 0 0 31 0 1 1
Q-Z 0.0 0.9506 -54.3609 -53.4103 46 5 4 2532 0 5 4
R-S -4.7724 -16.3207 -43.3698 -64.463 23 0 0 1394 1 7 6
R-V -74.3572 -55.2814 -171.809 -301.4476 54 10 1 6134 7 20 14
R-X 0.0 0.0 -0.0026 -0.0026 2 0 0 1 0 0 0
S-T 0.0 0.0 -3.8394 -3.8394 6 2 0 318 0 0 0
S-W -3.2034 0.0 -31.8486 -35.052 21 2 0 1058 0 3 3
T-U -9.7563 -10.4117 -53.2347 -73.4027 18 1 0 1859 2 6 6
V-X 0.0 0.0 -24.0954 -24.0954 12 0 0 715 0 2 3
W-Y -10.9835 2.9863 -31.8846 -39.8817 16 2 0 1286 0 0 4
X-Z 0.0 0.0 -0.1403 -0.1403 4 0 0 35 0 0 0
Y-Z -26.7331 -8.7112 -161.4 -196.8443 68 5 9 6867 1 4 12