3MG8
structure of yeast 20s open-gate proteasome with compound 16
Total interactions analyzed 378
Total true interactions 89
Strongest Interaction Chains U-V
Int. Res. 58
Norm. En. per Res. -4.876
Hub Node A(8)
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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 -53.2748 -22.2443 -349.462 -424.981 125 16 7 13506 1 20 16
A-C 0.0 0.0 -21.8635 -21.8635 13 1 1 663 0 2 2
A-D 0.0 0.0 -0.0593 -0.0593 2 0 0 17 0 1 2
A-E 0.0 0.0 -9.3197 -9.3197 11 2 0 392 0 1 0
A-F 0.0 0.0 -37.3368 -37.3368 24 4 0 1559 0 0 2
A-G -78.6531 -18.9299 -432.268 -529.851 131 22 13 16175 1 23 27
A-H -42.0209 -26.5334 -165.343 -233.8973 71 10 4 6515 3 18 18
A-I -25.7339 1.4395 -124.236 -148.5303 55 3 2 4908 1 16 20
B-C -75.4449 -4.4645 -438.379 -518.2884 138 21 8 16612 1 30 31
B-H 0.0 14.1277 -2.5141 11.6136 11 0 0 177 0 5 4
B-I -3.8076 -6.3284 -110.446 -120.582 50 2 1 4813 0 17 20
B-J -17.2066 -27.1187 -137.045 -181.3702 48 7 2 4673 3 20 24
C-D -69.0406 -5.8195 -349.999 -424.8591 124 19 9 13181 2 25 27
C-E 0.0 0.0 -0.0617 -0.0617 2 0 0 23 0 1 0
C-G 0.0 0.0 -0.0019 -0.0019 2 0 0 1 0 0 0
C-J -10.1324 -8.4792 -82.0295 -100.6411 43 1 2 3795 1 17 13
C-K -33.9236 -34.6434 -58.0161 -126.5831 37 3 1 2535 8 28 22
D-E -84.1528 -55.388 -309.261 -448.8019 122 13 7 12004 3 37 33
D-K -23.5739 -50.4434 -99.1866 -173.2039 52 9 1 4401 5 28 26
D-L -14.2057 -36.5803 -138.092 -188.8779 52 1 0 4695 3 31 28
E-F -58.8151 -32.0437 -364.823 -455.6818 122 11 11 13875 2 29 31
E-G 0.0 0.0 -0.0049 -0.0049 3 0 0 4 0 0 0
E-L -7.843 -18.1508 -79.0443 -105.0381 43 4 0 3170 2 13 18
E-M -7.476 -24.6553 -138.197 -170.3283 55 8 3 5231 2 28 12
F-G -81.3958 -35.8141 -389.881 -507.0908 123 17 9 14323 3 23 26
F-M -22.0585 -66.9325 -101.76 -190.751 57 5 2 4000 7 33 22
F-N -24.0827 -21.9443 -103.56 -149.5869 50 2 2 4631 2 14 10
G-H -23.8172 -68.4887 -183.362 -275.6679 58 5 1 6293 11 14 22
G-N -14.1771 -40.5478 -85.6356 -140.3605 48 2 4 3818 2 15 17
G-1 -4.0716 -3.9693 -9.9462 -17.9871 13 3 0 516 0 3 4
H-I -130.2582 -158.8829 -384.439 -673.58 143 17 12 15220 9 44 33
H-N -38.8997 -42.2871 -99.5099 -180.6966 67 2 2 3855 3 15 6
H-Y 0.0 0.0 -10.9539 -10.9539 8 0 0 629 0 0 1
H-Z -90.2256 -68.7576 -381.615 -540.5982 114 16 5 14475 5 34 39
H-1 0.0 -35.2267 -218.504 -253.7307 91 3 5 9223 1 21 19
I-J -12.789 -60.7894 -119.967 -193.5453 75 7 4 6073 3 13 11
I-Y -72.8072 -64.8854 -286.287 -423.9796 93 13 6 10768 5 21 21
I-Z -45.5793 -39.0202 -181.267 -265.8665 73 10 1 7556 3 19 19
J-K -24.7472 -39.484 -147.965 -212.1961 69 7 4 6241 4 21 22
J-X -69.88 -6.6032 -182.488 -258.9711 60 13 4 7177 1 20 29
J-Y -54.7195 -55.0691 -255.094 -364.8826 76 8 3 8814 7 22 20
K-L -61.1758 -32.5112 -173.705 -267.3921 76 5 4 5846 4 25 12
K-V 0.0 0.0 -16.1072 -16.1072 8 1 0 690 0 0 1
K-W -81.749 -59.7591 -305.885 -447.3931 92 15 5 10756 5 21 21
K-X -44.6024 -49.7388 -254.612 -348.9531 77 10 3 9010 6 23 20
L-M -55.486 3.7526 -238.422 -290.1554 92 9 5 9500 11 29 23
L-V -79.7897 -73.1676 -367.17 -520.1273 113 17 6 14353 5 33 39
L-W -36.731 -34.0324 -183.699 -254.4623 74 11 1 7546 4 19 19
M-N -16.2939 -21.9646 -144.386 -182.6445 65 3 1 6029 2 22 15
M-U 0.0 -4.4059 -9.7813 -14.1873 12 2 0 512 0 3 4
M-V -2.6027 -39.9167 -220.346 -262.8654 93 4 5 9360 1 21 19
M-2 -110.1909 25.9512 -396.743 -480.9827 113 17 9 14421 4 29 29
N-1 -107.4958 23.5643 -393.182 -477.1135 113 14 10 14282 3 27 29
N-2 -38.4535 -14.3025 -192.934 -245.69 57 18 3 6852 4 11 11
O-P -53.7237 -24.5806 -341.866 -420.1703 124 19 7 13629 1 20 18
O-Q 0.0 0.0 -17.3173 -17.3173 13 2 1 633 0 2 2
O-R 0.0 0.0 -0.0339 -0.0339 5 0 0 15 0 1 2
O-S 0.0 0.0 -6.4049 -6.4049 10 1 0 299 0 1 0
O-T 0.0 0.0 -33.2714 -33.2714 23 3 0 1493 0 0 2
O-U -71.5433 -30.8047 -418.453 -520.801 132 20 13 15974 3 20 29
O-V -42.88 -24.159 -155.606 -222.6449 69 10 3 6277 1 17 17
O-W -16.5744 2.7932 -117.354 -131.1352 56 0 2 4697 1 16 20
P-Q -66.6115 -6.2074 -421.893 -494.7118 132 19 7 16172 1 29 32
P-V 0.0 23.8801 -4.9169 18.9632 11 0 0 228 0 5 4
P-W -11.3438 -5.1601 -121.222 -137.7258 50 4 0 5045 0 17 20
P-X -13.4956 -27.6896 -133.829 -175.0142 48 5 2 4595 2 20 24
Q-R -64.4479 -19.8272 -370.112 -454.3871 126 22 9 13895 2 26 28
Q-S 0.0 0.0 -0.05 -0.05 3 0 0 21 0 1 0
Q-X -9.9394 -11.0924 -86.6179 -107.6497 45 4 2 3886 1 17 13
Q-Y -31.3389 -37.4314 -58.2335 -127.0038 34 2 1 2566 8 28 22
R-S -68.4253 -55.5381 -300.518 -424.4814 118 12 7 11533 2 34 36
R-Y -15.225 -49.5544 -99.7217 -164.5011 51 4 1 4339 6 28 26
R-Z -8.9826 -27.4831 -136.488 -172.9537 52 1 0 4715 3 31 31
S-T -61.9622 -29.846 -368.261 -460.0692 123 16 12 13990 2 29 31
S-U 0.0 0.0 -0.0914 -0.0914 3 0 0 24 0 0 0
S-Z -6.3338 -23.95 -74.0964 -104.3801 42 6 0 3143 2 13 20
S-1 -3.8149 -17.3046 -130.953 -152.0724 52 4 3 5094 1 28 12
T-U -72.1206 -36.3567 -411.948 -520.4253 125 14 9 15050 2 27 27
T-1 -24.0516 -67.0181 -103.234 -194.3037 56 6 2 4134 6 33 22
T-2 -22.8958 -17.3005 -96.1371 -136.3334 49 1 2 4467 1 14 9
U-V -28.9966 -69.6044 -184.208 -282.8091 58 4 1 6222 11 14 21
U-2 -13.055 -43.3313 -90.6476 -147.034 48 1 4 3766 2 14 16
V-W -137.9379 -146.9868 -378.769 -663.6937 143 19 14 15188 10 45 33
V-2 -31.8661 -39.8582 -94.5871 -166.3114 66 3 2 3844 3 15 6
W-X -14.8297 -64.1454 -116.072 -195.0471 76 6 4 6088 3 14 11
X-Y -21.88 -56.8683 -147.013 -225.7613 76 9 4 6245 5 22 22
Y-Z -54.3317 -26.9046 -168.658 -249.8942 77 4 4 6007 4 24 13
Z-1 -59.8171 10.0979 -224.623 -274.3422 91 13 5 9504 8 27 23
1-2 -15.1532 -19.938 -138.021 -173.1122 65 4 1 5910 2 22 15