3A0H
crystal structure of i-substituted photosystem ii complex
Total interactions analyzed 780
Total true interactions 157
Strongest Interaction Chains B-H
Int. Res. 157
Norm. En. per Res. -3.7565
Hub Node A(29)
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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 -7.1913 -34.3489 -132.38 -173.9203 62 18 5 6292 0 12 10
A-C -85.7107 -5.6998 -695.744 -787.1545 283 97 17 32104 4 27 35
A-D -103.7383 -5.8926 -1349.18 -1458.8109 412 252 53 65382 6 55 59
A-E 0.0 4.0718 -57.5665 -53.4947 39 5 1 2892 0 6 5
A-F 0.0 -1.2222 -4.2539 -5.476 12 0 0 318 0 1 2
A-I -15.4971 -25.7526 -207.35 -248.5997 81 16 6 8302 3 7 10
A-J 0.0 0.0 -31.3159 -31.3159 23 1 1 1311 0 0 0
A-L -21.5265 2.2362 -40.6097 -59.9 35 15 1 2225 0 1 2
A-M 0.0 0.0 -4.224 -4.224 12 0 0 217 0 0 0
A-O -41.7623 -49.9425 -130.985 -222.6897 79 37 2 7730 1 24 21
A-T 0.0 0.0 -98.7675 -98.7675 50 7 5 4635 0 3 2
A-U 0.0 0.0 -11.5992 -11.5992 10 9 0 540 0 2 1
A-V -9.5471 -3.4342 -86.8723 -99.8536 56 17 3 4929 1 14 14
A-b 0.0 0.0 -1.9982 -1.9982 18 0 1 306 0 0 3
A-l 0.0 0.0 -0.0004 -0.0004 2 0 0 1 0 0 0
A-m 0.0 0.0 -0.005 -0.005 2 0 0 5 0 1 0
B-D -71.9843 11.2564 -573.856 -634.5839 242 71 25 28175 3 40 35
B-E 0.0 0.0 -7.1107 -7.1107 6 0 0 228 0 1 2
B-H -56.0438 -46.2012 -487.524 -589.7689 157 70 10 20448 2 22 22
B-L -20.0157 3.806 -127.548 -143.7576 56 23 3 5787 0 7 6
B-M 0.0 3.6999 -10.8112 -7.1113 26 4 0 789 0 2 1
B-O -21.1922 -74.9773 -168.7 -264.8695 77 12 2 7029 3 18 22
B-U -4.005 -12.1374 -83.4497 -99.5921 50 11 1 4118 4 20 18
B-V 0.0 0.0 -0.0358 -0.0358 9 0 0 28 0 2 2
B-X 0.0 0.0 -0.026 -0.026 3 0 0 18 0 0 0
B-a 0.0 0.0 -1.4879 -1.4879 18 0 1 258 0 0 2
B-c 0.0 0.0 -0.0022 -0.0022 2 0 0 1 0 0 0
B-m 0.0 0.0 -1.5372 -1.5372 5 2 0 122 0 0 0
B-o -2.1365 -13.6672 -50.88 -66.6837 56 8 0 3414 0 20 22
B-t 0.0 0.0 9.7298 9.7298 21 2 0 692 0 0 0
C-D -3.7266 -35.8722 -186.115 -225.7138 88 36 8 8348 1 12 15
C-I -17.2323 -14.8328 -68.5824 -100.6476 36 11 1 3138 0 9 11
C-J 0.0 0.0 -8.3612 -8.3612 14 1 0 386 0 0 0
C-K -5.0117 -17.2419 -176.079 -198.3326 72 17 11 7992 0 6 5
C-O -39.3788 -42.3548 -318.146 -399.8797 112 40 3 13715 5 19 22
C-T 0.0 -4.093 -19.426 -23.519 18 0 0 1066 0 2 1
C-U -9.941 -9.023 -100.07 -119.034 48 11 3 4462 1 7 9
C-V -44.3232 -48.8442 -185.73 -278.8974 96 28 4 9629 5 29 23
C-Y 0.0 0.0 -1.842 -1.842 14 0 0 219 0 0 2
C-Z 0.0 0.0 -77.6413 -77.6413 57 13 5 3756 0 2 2
C-b 0.0 0.0 -0.0079 -0.0079 2 0 0 4 0 0 0
C-l 0.0 0.0 -3.5861 -3.5861 4 0 0 90 0 0 1
D-E -15.1441 -49.6701 -314.839 -379.6532 111 35 11 14049 2 14 14
D-F -3.3165 0.0 -75.7064 -79.0229 51 10 5 4142 0 2 2
D-H -12.2703 0.0 -53.289 -65.5593 33 7 0 2286 0 1 1
D-J 0.0 0.0 -15.3269 -15.3269 19 0 0 585 0 0 0
D-K 0.0 0.0 -0.0166 -0.0166 2 0 0 9 0 0 0
D-L -17.4427 0.0 -80.6046 -98.0473 45 2 0 2832 0 0 0
D-M 0.0 0.0 -24.2227 -24.2227 16 2 0 1263 0 1 4
D-O -5.2313 14.1563 -117.527 -108.602 72 12 5 6351 3 35 32
D-T 0.0 0.0 -22.1547 -22.1547 32 4 2 1798 0 1 2
D-U 0.0 0.0 -18.9362 -18.9362 16 0 1 905 0 2 2
D-V 0.0 3.818 -24.3422 -20.5242 22 4 1 1368 0 4 3
D-X 0.0 4.4228 -88.9873 -84.5645 55 9 2 4810 0 5 4
E-F 0.0 -4.8153 -199.42 -204.2353 70 26 11 8008 0 4 5
E-H 0.0 0.0 -16.676 -16.676 12 0 0 613 0 1 0
E-J -6.224 0.0 -57.6496 -63.8736 36 8 2 2912 0 1 2
E-V 0.0 -5.4652 -38.7655 -44.2307 26 1 0 1577 1 6 6
E-X 0.0 0.0 -0.0356 -0.0356 2 0 0 11 0 0 1
E-N 0.0 0.0 -53.899 -53.899 48 4 0 3952 0 0 0
F-J -6.7843 0.0 -51.9899 -58.7742 34 20 4 3291 0 0 0
F-V 0.0 -17.6891 -5.7713 -23.4604 9 0 0 411 1 2 2
F-X 0.0 0.0 -0.0295 -0.0295 5 0 0 25 0 0 0
F-N 0.0 0.0 -1.4495 -1.4495 14 0 0 199 0 0 0
H-L 0.0 -7.6106 -3.8037 -11.4143 6 0 0 212 0 2 0
H-X -17.4024 0.0 -55.4366 -72.839 30 8 5 3024 0 2 0
J-K 0.0 0.0 -21.5448 -21.5448 22 3 1 1039 0 0 0
J-V 0.0 0.0 -6.5097 -6.5097 10 0 0 444 0 0 0
J-Y 0.0 0.0 -17.6255 -17.6255 22 0 0 960 0 0 0
K-Y 0.0 0.0 -61.6286 -61.6286 49 19 7 4398 0 0 0
K-Z 0.0 0.0 -53.7684 -53.7684 37 6 3 2326 0 0 0
L-M -23.0709 -11.7963 -187.462 -222.3292 61 24 13 8536 0 1 1
L-T -2.9391 -5.8198 -146.443 -155.202 51 25 12 6435 0 1 3
L-a 0.0 0.0 -0.0004 -0.0004 2 0 0 1 0 0 0
L-c 0.0 0.0 -4.0343 -4.0343 3 0 0 83 0 0 1
L-m 0.0 0.0 -10.884 -10.884 14 6 0 894 0 2 1
L-t 0.0 0.0 -0.0341 -0.0341 5 0 0 19 0 0 0
M-T 0.0 0.0 -32.3232 -32.3232 33 3 0 1849 0 1 2
M-a 0.0 0.0 -0.0058 -0.0058 2 0 0 6 0 1 0
M-b 0.0 0.0 -0.5128 -0.5128 7 2 0 126 0 0 0
M-l 0.0 0.0 -9.8985 -9.8985 14 7 0 902 0 2 1
M-m -29.9426 0.0 -89.867 -119.8096 60 45 12 7693 0 2 2
M-t 0.0 0.0 -0.2169 -0.2169 6 0 0 37 0 0 0
O-U -4.2616 10.7443 -91.7942 -85.3116 58 3 11 4843 0 21 13
O-b -2.1324 -14.2673 -64.1806 -80.5803 56 8 0 3561 0 20 23
T-b 0.0 0.0 -10.6693 -10.6693 21 3 0 742 0 0 0
T-l 0.0 0.0 -0.0424 -0.0424 5 0 0 24 0 0 0
T-m 0.0 0.0 -0.2234 -0.2234 6 0 0 37 0 0 0
U-V -6.0827 -14.642 -107.336 -128.0607 65 11 3 5869 1 12 8
Y-Z 0.0 -8.5048 -69.3739 -77.8787 40 18 7 4337 0 4 1
a-b -7.1957 -34.3479 -132.2 -173.7436 62 18 5 6285 0 12 9
a-c -76.4278 -12.1742 -695.836 -784.438 285 94 17 32024 6 27 35
a-d -114.8533 -15.3205 -1325.7 -1455.8738 412 241 53 65328 6 55 59
a-e 0.0 4.0718 -58.1614 -54.0896 39 5 1 2916 0 6 5
a-f 0.0 -1.2222 -4.2528 -5.475 12 0 0 318 0 1 2
a-i -15.5069 -25.7626 -207.972 -249.2415 81 17 6 8315 3 7 10
a-j 0.0 0.0 -31.3076 -31.3076 23 1 1 1303 0 0 0
a-l -15.2461 2.2362 -39.6023 -52.6122 34 13 1 2207 0 1 2
a-m 0.0 0.0 -4.22 -4.22 12 0 0 215 0 0 0
a-o -41.7915 -49.9429 -133.51 -225.2445 78 35 2 7755 1 24 20
a-t -9.1193 0.0 -99.5356 -108.6549 50 7 5 4631 0 3 2
a-u 0.0 0.0 -15.0759 -15.0759 10 10 0 615 0 2 0
a-v -9.5497 -3.4369 -86.8973 -99.8839 56 16 3 4938 1 14 14
b-d -55.7478 11.2452 -572.619 -617.1216 243 69 25 28117 3 40 35
b-e 0.0 0.0 -7.018 -7.018 6 0 0 223 0 1 2
b-h -56.0081 -46.2 -485.961 -588.169 157 71 10 20397 2 22 22
b-l -19.997 3.8059 -127.558 -143.7491 56 23 3 5780 0 7 6
b-m 0.0 3.7002 -11.1354 -7.4352 26 5 0 795 0 2 1
b-o -23.3029 -74.9767 -167.526 -265.8055 77 13 2 7058 3 18 22
b-u -3.9981 -12.141 -83.6789 -99.818 50 11 1 4134 4 20 18
b-v 0.0 0.0 -0.0357 -0.0357 8 0 0 27 0 2 2
b-x 0.0 0.0 -0.026 -0.026 3 0 0 18 0 0 0
c-d -3.7226 -35.8731 -185.573 -225.1686 88 36 8 8348 1 12 15
c-i 0.0 -14.8326 -68.5723 -83.4049 36 11 1 3132 0 9 11
c-j 0.0 0.0 -8.2686 -8.2686 14 0 0 373 0 0 0
c-k -5.0091 -17.2408 -175.284 -197.534 73 20 11 8024 0 6 5
c-o -44.541 -42.3445 -318.411 -405.2965 112 40 3 13701 5 19 22
c-t 0.0 -4.0931 -19.5088 -23.6019 18 1 0 1060 0 2 1
c-u -9.952 -9.0234 -100.322 -119.2974 48 8 3 4459 1 7 9
c-v -44.337 -48.8459 -184.732 -277.9149 96 29 4 9633 5 29 23
c-y 0.0 0.0 -1.8421 -1.8421 14 0 0 219 0 0 2
c-z 0.0 0.0 -77.5967 -77.5967 57 12 5 3752 0 2 2
d-e -7.1121 -49.6728 -315.218 -372.0029 111 33 11 14061 2 14 14
d-f -4.0169 0.0 -84.4116 -88.4285 51 7 5 4147 0 2 2
d-h -12.2692 0.0 -53.5508 -65.82 33 7 0 2282 0 1 1
d-j 0.0 0.0 -15.3239 -15.3239 19 0 0 588 0 0 0
d-k 0.0 0.0 -0.0166 -0.0166 2 0 0 9 0 0 0
d-l -17.4364 0.0 -80.713 -98.1494 45 2 0 2838 0 0 0
d-m 0.0 0.0 -23.9426 -23.9426 16 2 0 1259 0 1 4
d-o -5.2255 14.1597 -116.797 -107.8628 72 12 5 6348 3 35 32
d-t 0.0 0.0 -22.4619 -22.4619 32 5 2 1807 0 1 2
d-u 0.0 0.0 -18.9718 -18.9718 16 0 1 908 0 2 2
d-v 0.0 3.8185 -24.8887 -21.0702 22 4 1 1371 0 4 3
d-x 0.0 4.4227 -88.138 -83.7153 55 11 2 4800 0 5 4
e-f 0.0 -4.8154 -199.609 -204.4244 70 26 11 8004 0 4 5
e-h 0.0 0.0 -16.5249 -16.5249 12 0 0 608 0 1 0
e-j -6.2322 0.0 -57.7119 -63.9441 36 8 2 2899 0 1 2
e-v 0.0 -5.4639 -38.7764 -44.2403 26 1 0 1578 1 6 6
e-x 0.0 0.0 -0.0356 -0.0356 2 0 0 11 0 0 1
e-n 0.0 0.0 -54.0714 -54.0714 48 4 0 3994 0 0 0
f-j -6.7842 0.0 -51.7889 -58.5731 34 20 4 3285 0 0 0
f-v 0.0 -17.6859 -5.7704 -23.4563 9 0 0 412 1 2 2
f-x 0.0 0.0 -0.0295 -0.0295 5 0 0 25 0 0 0
f-n 0.0 0.0 -1.4459 -1.4459 14 0 0 196 0 0 0
h-l 0.0 -7.6108 -3.8041 -11.4149 6 0 0 212 0 2 0
h-x -17.3854 0.0 -55.1106 -72.496 30 8 5 3023 0 2 0
j-k 0.0 0.0 -18.6269 -18.6269 22 3 1 1018 0 0 0
j-v 0.0 0.0 -6.5043 -6.5043 9 0 0 439 0 0 0
j-y 0.0 0.0 -17.6357 -17.6357 22 0 0 960 0 0 0
k-y 0.0 0.0 -45.4666 -45.4666 49 17 7 4324 0 0 0
k-z 0.0 0.0 -53.3442 -53.3442 37 6 3 2321 0 0 0
l-m -19.0185 -11.7964 -188.895 -219.7099 61 21 13 8527 0 1 1
l-t -5.3168 -5.8198 -150.232 -161.3686 51 21 12 6429 0 1 3
m-t 0.0 0.0 -29.0772 -29.0772 33 6 0 1831 0 1 2
o-u -4.2613 10.7432 -91.9349 -85.453 58 3 11 4848 0 21 13
u-v -6.0848 -14.6413 -107.348 -128.0741 63 11 3 5887 1 12 8
y-z 0.0 -8.5053 -69.3464 -77.8517 40 18 7 4330 0 4 1