3A0B
crystal structure of br-substituted photosystem ii complex
Total interactions analyzed 780
Total true interactions 156
Strongest Interaction Chains f-v
Int. Res. 8
Norm. En. per Res. -7.2926
Hub Node A(28)
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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 -20.921 -62.9471 -98.4499 -182.318 59 7 4 4753 1 12 9
A-C -83.4586 -12.3666 -725.7 -821.5252 281 115 20 32988 4 28 33
A-D -98.059 14.2377 -1355.43 -1439.2513 407 239 48 64420 8 58 60
A-E -9.5446 -2.457 -69.8237 -81.8252 41 2 1 3110 1 5 5
A-F 0.0 -1.1693 -12.2818 -13.4511 12 2 0 413 0 1 2
A-I 0.0 -33.2765 -220.337 -253.6135 81 24 5 8725 2 6 9
A-J 0.0 0.0 -23.7058 -23.7058 21 0 1 1205 0 0 0
A-L 0.0 25.4051 -31.119 -5.7139 32 15 1 2072 0 1 2
A-M 0.0 0.0 -9.7118 -9.7118 12 0 0 357 0 0 0
A-O -59.6082 -57.53 -157.269 -274.4072 80 39 2 7639 3 24 21
A-T -14.1624 9.7953 -102.565 -106.9322 48 13 4 4870 0 2 2
A-U -2.5232 0.0 -21.464 -23.9872 10 5 0 676 0 2 0
A-V -12.7662 12.6164 -92.5066 -92.6564 55 19 3 4866 0 15 14
A-b 0.0 0.0 -1.3437 -1.3437 18 0 1 244 0 0 2
A-m 0.0 0.0 -0.1865 -0.1865 3 0 0 23 0 1 0
B-D -61.0646 3.9768 -546.329 -603.4168 240 122 24 28389 7 38 36
B-E -5.7117 0.0 -13.7735 -19.4852 9 3 0 453 0 1 2
B-H -38.7685 -30.7707 -487.522 -557.0612 153 66 7 21244 1 21 20
B-L -21.0867 15.067 -87.1545 -93.1742 52 34 2 4871 0 6 6
B-M 0.0 4.4305 -11.2452 -6.8147 22 0 0 680 0 2 1
B-O -24.8498 -58.3025 -173.646 -256.7983 77 18 3 7026 3 17 23
B-U 0.0 3.1547 -67.654 -64.4993 47 4 1 3875 1 21 20
B-V 0.0 0.0 -0.0597 -0.0597 5 0 0 21 0 2 2
B-X 0.0 0.0 -0.1277 -0.1277 3 0 0 35 0 0 0
B-a 0.0 0.0 -1.6784 -1.6784 22 0 1 287 0 0 2
B-m 0.0 0.0 -0.1179 -0.1179 3 0 0 30 0 0 0
B-o -20.043 -35.5576 -103.907 -159.5076 70 9 0 4450 1 18 21
B-t 0.0 0.0 -13.8725 -13.8725 23 0 0 664 0 0 0
C-D -12.6429 -29.0673 -204.647 -246.3572 80 34 6 7957 2 11 14
C-I -3.1591 -30.8144 -69.8285 -103.8019 39 8 1 3746 3 13 14
C-J 0.0 0.0 -6.7902 -6.7902 16 0 0 395 0 0 0
C-K 0.0 -15.2626 -149.302 -164.5646 78 15 11 7702 0 7 5
C-O -39.1701 -54.8676 -337.365 -431.4027 110 38 2 13849 4 18 22
C-T 0.0 -5.9713 -27.9259 -33.8972 14 4 0 1021 0 2 1
C-U 0.0 -7.2622 -100.009 -107.2712 46 10 3 4457 0 6 9
C-V -17.6198 -23.1672 -192.446 -233.233 95 19 4 9520 3 28 21
C-Y 0.0 0.0 -0.5089 -0.5089 13 0 0 105 0 0 0
C-Z 0.0 1.845 -73.5978 -71.7528 54 15 4 3524 0 2 2
C-l 0.0 0.0 -0.2523 -0.2523 2 0 0 15 0 0 1
D-E -6.202 -5.6882 -291.892 -303.7823 112 31 11 13645 1 13 16
D-F -17.7804 1.4488 -85.203 -101.5346 57 13 4 4532 0 2 4
D-H -5.1986 0.0 -53.9348 -59.1334 36 10 0 2535 0 1 1
D-I 0.0 0.0 -0.0175 -0.0175 2 0 0 14 0 1 0
D-J 0.0 0.0 -19.8238 -19.8238 18 1 0 678 0 0 0
D-K 0.0 0.0 -0.0432 -0.0432 2 0 0 13 0 0 0
D-L -8.9382 0.0 -94.5682 -103.5064 51 12 0 3279 0 0 0
D-M 0.0 0.0 -32.3458 -32.3458 14 1 0 1466 0 1 4
D-O -2.2992 17.8669 -144.883 -129.3152 81 10 6 6850 2 34 35
D-T 0.0 0.0 -26.0344 -26.0344 34 9 3 1772 0 1 2
D-U 0.0 -4.1859 -20.1202 -24.3061 15 0 2 911 0 3 3
D-V 0.0 4.6596 -27.4222 -22.7626 18 1 0 1290 0 4 4
D-X 0.0 -1.7119 -90.8043 -92.5162 53 9 3 4589 0 5 4
E-F 0.0 -1.1331 -127.963 -129.0961 69 34 9 7786 0 3 4
E-H 0.0 0.0 -0.1905 -0.1905 5 0 0 59 0 1 0
E-J 0.0 0.0 -77.2899 -77.2899 38 10 2 3395 0 1 2
E-V -8.3591 12.7496 -24.1307 -19.7402 29 6 0 1382 0 5 6
E-N 0.0 0.0 -63.5171 -63.5171 50 5 0 4226 0 0 0
F-J 0.0 0.0 -17.7362 -17.7362 34 17 4 2900 0 0 0
F-V 0.0 -39.5676 -10.9534 -50.521 8 0 0 503 4 2 2
F-X 0.0 0.0 -0.0553 -0.0553 6 0 0 28 0 0 0
F-N 0.0 0.0 -3.1092 -3.1092 17 0 0 329 0 0 0
H-L 0.0 -6.5905 -1.5129 -8.1034 4 3 0 169 0 2 0
H-X -2.9478 0.0 -71.1197 -74.0675 33 7 4 3029 0 2 0
J-K 0.0 0.0 -20.3011 -20.3011 23 0 1 947 0 0 0
J-V -2.2259 0.0 -10.1288 -12.3547 9 1 0 444 0 0 0
J-Y 0.0 0.0 -27.3243 -27.3243 30 4 0 1434 0 0 0
K-Y 0.0 0.0 -34.2085 -34.2085 45 14 8 3878 0 0 0
K-Z -2.4155 0.0 -24.7739 -27.1894 32 7 3 1889 0 0 0
L-M -16.0723 -9.5997 -151.956 -177.6279 60 19 12 7966 0 1 1
L-T 0.0 -10.8392 -139.8 -150.6392 51 30 10 6173 0 1 2
L-a 0.0 0.0 -0.0038 -0.0038 2 0 0 1 0 0 0
L-c 0.0 0.0 -0.404 -0.404 3 0 0 21 0 0 1
L-m 0.0 0.0 -18.0966 -18.0966 15 6 0 1182 0 2 2
L-t 0.0 0.0 -0.0254 -0.0254 3 0 0 16 0 0 0
M-T 0.0 0.0 -28.4493 -28.4493 33 2 1 1581 0 0 2
M-a 0.0 0.0 -0.1606 -0.1606 3 0 0 21 0 1 0
M-b 0.0 0.0 -0.1015 -0.1015 3 0 0 25 0 0 0
M-l 0.0 0.0 -19.096 -19.096 16 6 0 1205 0 2 2
M-m -36.5701 0.0 -54.1225 -90.6926 63 54 12 7664 0 2 2
M-t 0.0 0.0 -0.532 -0.532 6 0 0 75 0 0 0
O-U 0.0 4.1156 -101.907 -97.7914 63 12 12 5235 0 22 12
O-b -21.2006 -42.1777 -85.7229 -149.1012 71 6 0 4377 2 18 21
T-b 0.0 0.0 -13.0775 -13.0775 21 1 0 649 0 0 0
T-l 0.0 0.0 -0.0073 -0.0073 3 0 0 5 0 0 0
T-m 0.0 0.0 -0.1136 -0.1136 4 0 0 21 0 0 0
U-V -6.8521 -5.5543 -110.253 -122.6594 59 9 2 5483 0 14 9
Y-Z 0.0 0.0 -46.5732 -46.5732 39 16 8 3695 0 2 1
a-b -11.364 -64.0437 -78.5949 -154.0026 58 9 2 4453 1 11 9
a-c -80.4073 -24.2101 -701.795 -806.4124 282 104 20 33510 5 29 31
a-d -130.3862 55.0495 -1303.28 -1378.6167 409 261 47 64427 7 57 58
a-e -17.9221 -1.3613 -60.8016 -80.085 40 4 1 3008 1 5 5
a-f 0.0 -1.1284 -13.7525 -14.8809 12 1 0 398 0 1 2
a-i -17.1723 -33.2253 -217.932 -268.3296 78 13 5 8648 2 6 10
a-j 0.0 0.0 -22.2896 -22.2896 21 0 0 1177 0 0 0
a-l -7.5234 18.8956 -34.9319 -23.5597 31 5 1 1918 0 1 2
a-m 0.0 0.0 -7.0642 -7.0642 10 0 0 322 0 0 0
a-o -35.5329 -59.6412 -162.488 -257.6622 78 14 2 7352 2 24 20
a-t -12.9645 10.2872 -71.767 -74.4443 50 31 4 5177 0 2 2
a-u -9.5292 0.0 -11.2418 -20.771 10 8 0 661 0 2 1
a-v -6.9762 11.277 -85.4965 -81.1957 57 11 2 4785 1 16 16
b-d -74.4514 -40.8428 -606.768 -722.0622 237 89 24 27833 7 37 34
b-e -6.2638 0.0 -9.8907 -16.1546 8 0 0 387 0 1 1
b-h -40.4356 -13.23 -478.271 -531.9366 154 73 9 20928 0 21 22
b-l -23.7557 13.0068 -81.494 -92.243 52 35 2 4859 0 6 6
b-m 0.0 4.7036 -9.6256 -4.922 19 0 0 653 0 2 1
b-o -24.1755 -55.3744 -152.079 -231.6289 77 26 3 7180 3 17 22
b-u -13.6832 -12.0965 -61.3667 -87.1464 47 6 1 3794 2 22 18
b-v 0.0 0.0 -0.0772 -0.0772 5 0 0 35 0 2 2
b-x 0.0 0.0 -0.0861 -0.0861 3 0 0 32 0 0 0
c-d -20.2448 -18.5885 -192.609 -231.4423 84 29 4 7868 1 11 15
c-i -7.0122 -41.2254 -87.342 -135.5796 38 12 1 3949 3 13 14
c-j 0.0 0.0 -6.7673 -6.7673 14 0 0 378 0 0 0
c-k 0.0 -18.9338 -189.152 -208.0858 76 12 10 7710 1 7 5
c-o -61.0065 -55.308 -352.198 -468.5125 109 31 2 13951 2 16 23
c-t 0.0 -6.3206 -28.8629 -35.1835 16 5 0 1114 0 2 1
c-u -2.2211 -9.5608 -100.095 -111.8768 46 9 3 4426 1 6 9
c-v -5.026 -20.9672 -181.169 -207.1623 97 19 4 9382 2 29 22
c-y 0.0 0.0 -0.3531 -0.3531 13 0 0 80 0 0 0
c-z 0.0 2.0116 -81.3727 -79.3611 56 15 4 3678 0 2 2
d-e -19.0663 -9.7965 -315.672 -344.5348 113 24 12 14027 1 13 16
d-f -4.271 1.2604 -99.6095 -102.6201 58 9 4 4515 0 2 3
d-h -3.978 0.0 -40.944 -44.922 35 9 0 2554 0 1 1
d-i 0.0 0.0 -0.0188 -0.0188 2 0 0 14 0 0 0
d-j 0.0 0.0 -18.3056 -18.3056 18 0 0 657 0 0 0
d-k 0.0 0.0 -0.04 -0.04 2 0 0 12 0 0 0
d-l -16.6497 0.0 -82.5438 -99.1935 48 11 0 3156 0 0 0
d-m 0.0 0.0 -38.7726 -38.7726 14 3 0 1474 0 1 4
d-o 0.0 19.8095 -123.42 -103.6105 76 12 5 6634 1 34 32
d-t 0.0 0.0 -29.0742 -29.0742 35 15 3 1797 0 1 3
d-u 0.0 -4.4582 -18.5797 -23.0379 15 0 2 920 0 2 3
d-v 0.0 5.1205 -21.7362 -16.6156 18 10 1 1493 0 4 4
d-x 0.0 -2.6932 -81.9967 -84.6899 53 22 3 4754 0 4 4
e-f 0.0 -1.1713 -181.452 -182.6233 70 18 9 7806 0 3 4
e-h 0.0 0.0 -0.1863 -0.1863 5 0 0 54 0 1 0
e-j -8.8688 0.0 -88.869 -97.7378 39 15 2 3485 0 1 2
e-v -8.3227 10.6282 -19.5236 -17.2181 29 7 0 1361 0 5 6
e-n 0.0 0.0 -71.078 -71.078 49 7 0 4330 0 0 0
f-j 0.0 0.0 -74.2074 -74.2074 32 7 4 3349 0 0 0
f-v 0.0 -48.1663 -10.1748 -58.3411 8 1 0 444 4 2 2
f-x 0.0 0.0 -0.0803 -0.0803 5 0 0 31 0 0 0
f-y 0.0 0.0 -0.0003 -0.0003 2 0 0 1 0 0 0
f-n 0.0 0.0 -4.2016 -4.2016 16 0 0 376 0 0 0
h-l 0.0 -6.5271 -2.5145 -9.0416 4 2 0 163 0 2 0
h-x -5.1644 0.0 -72.699 -77.8634 30 7 4 3098 0 2 0
j-k 0.0 0.0 -26.9125 -26.9125 23 2 1 1103 0 0 0
j-v 0.0 0.0 -5.0708 -5.0708 6 0 0 339 0 0 0
j-y 0.0 0.0 -23.1713 -23.1713 27 0 0 1217 0 0 0
k-v 0.0 0.0 -0.0003 -0.0003 2 0 0 1 0 0 0
k-y 0.0 0.0 -48.8504 -48.8504 48 18 10 4407 0 0 0
k-z 0.0 0.0 -22.4196 -22.4196 33 6 3 1897 0 0 0
l-m -17.1343 -9.8043 -137.777 -164.7157 60 41 12 8113 0 1 1
l-t 0.0 -9.8073 -137.349 -147.1563 51 24 11 6274 0 1 2
m-t 0.0 1.0238 -23.2879 -22.2641 31 2 1 1398 0 0 2
o-u 0.0 5.5036 -97.224 -91.7204 64 15 12 5302 0 23 13
u-v 0.0 -7.6349 -123.069 -130.7039 57 10 3 5589 0 14 8
y-z 0.0 0.0 -64.7684 -64.7684 39 13 8 3599 0 2 1