3MG7
structure of yeast 20s open-gate proteasome with compound 8
Total interactions analyzed 378
Total true interactions 89
Strongest Interaction Chains G-H
Int. Res. 57
Norm. En. per Res. -4.9529
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 -67.7038 -23.0221 -353.821 -444.5469 127 18 7 13534 1 20 17
A-C 0.0 0.0 -15.7031 -15.7031 13 1 1 599 0 2 2
A-D 0.0 0.0 -0.0402 -0.0402 2 0 0 14 0 1 2
A-E 0.0 0.0 -8.5914 -8.5914 12 2 0 389 0 1 0
A-F 0.0 0.0 -38.8914 -38.8914 21 4 0 1509 0 0 2
A-G -85.3266 -19.7738 -426.576 -531.6765 131 29 14 16319 2 22 27
A-H -46.8487 -25.3211 -169.193 -241.3628 71 10 3 6494 2 18 18
A-I -21.2812 -0.5625 -118.922 -140.7657 54 2 2 4724 1 16 20
B-C -65.4564 -5.6894 -445.395 -516.5408 138 27 8 16738 1 30 31
B-H 0.0 19.2191 -1.901 17.3181 10 0 0 158 0 5 4
B-I -2.2068 -6.5034 -114.065 -122.7752 50 3 0 4870 0 17 20
B-J -13.6801 -31.0356 -140.846 -185.5617 49 12 2 4764 4 21 23
C-D -66.7124 -23.8042 -362.589 -453.1055 126 22 9 13593 2 27 28
C-E 0.0 0.0 -0.1134 -0.1134 2 0 0 31 0 1 0
C-G 0.0 0.0 -0.0031 -0.0031 2 0 0 2 0 0 0
C-J -9.3505 -9.3375 -84.8165 -103.5045 43 3 2 3860 1 17 13
C-K -29.7191 -37.3586 -57.7061 -124.7838 36 2 1 2520 8 29 22
D-E -88.7266 -64.5968 -314.928 -468.2514 123 11 7 12080 3 36 37
D-K -17.5815 -44.991 -93.4432 -156.0157 53 6 1 4369 6 28 26
D-L -12.5478 -31.3906 -141.941 -185.8794 51 3 0 4809 3 31 30
E-F -54.4585 -27.245 -368.978 -450.6815 121 11 11 13831 2 29 31
E-G 0.0 0.0 -0.0003 -0.0003 2 0 0 1 0 0 0
E-L -17.7733 -19.6163 -82.7127 -120.1023 43 4 0 3158 1 13 17
E-M -4.199 -22.8009 -142.861 -169.8608 53 3 3 5214 1 28 13
F-G -77.1043 -37.2326 -397.749 -512.0858 124 18 9 14476 3 23 26
F-M -23.6422 -74.573 -106.673 -204.8882 58 7 2 4106 7 33 22
F-N -16.4775 -22.4187 -101.164 -140.0602 51 2 2 4599 2 14 10
G-H -23.772 -68.5618 -189.982 -282.3159 57 5 1 6463 11 14 22
G-N -11.8939 -42.5167 -89.249 -143.6596 49 2 4 3784 2 14 17
G-1 -2.5658 0.0 -8.2499 -10.8157 14 2 0 502 0 3 4
H-I -94.3567 -149.6909 -385.885 -629.9326 143 13 13 15255 10 43 33
H-N -34.0715 -44.8647 -102.538 -181.4742 65 2 2 3846 3 15 7
H-Y 0.0 0.0 -11.7936 -11.7936 8 0 0 647 0 0 1
H-Z -100.1851 -70.0379 -379.665 -549.888 113 23 5 14540 4 34 39
H-1 0.0 -33.6276 -219.887 -253.5146 90 6 5 9250 1 21 19
I-J -18.3162 -60.0 -118.37 -196.6862 74 5 4 5968 3 13 11
I-Y -77.7331 -60.3231 -297.354 -435.4103 94 19 6 10937 5 21 22
I-Z -47.369 -37.7561 -186.516 -271.6411 74 15 1 7584 3 19 19
J-K -14.6175 -37.4332 -147.061 -199.1117 69 12 4 6229 5 21 21
J-X -74.9487 -9.92 -189.232 -274.1007 60 13 4 7269 1 21 29
J-Y -43.3655 -53.4084 -257.104 -353.878 77 11 3 8871 6 23 19
K-L -50.8181 -30.5662 -166.872 -248.2563 79 6 4 5786 4 24 12
K-V 0.0 0.0 -15.4993 -15.4993 8 1 0 659 0 0 1
K-W -82.8318 -55.3595 -307.117 -445.3084 92 16 5 10755 5 21 20
K-X -45.347 -47.6343 -258.845 -351.8262 79 14 3 9071 6 22 19
L-M -44.1482 -16.0294 -247.743 -307.9206 92 7 5 9637 10 29 23
L-V -84.4115 -68.6905 -359.115 -512.217 112 27 6 14351 4 33 40
L-W -36.983 -34.1727 -194.635 -265.7907 73 12 1 7497 3 19 19
M-N -21.9486 -23.7791 -147.196 -192.9237 68 3 1 6041 3 23 16
M-U 0.0 -4.2256 -11.582 -15.8076 13 3 0 513 0 3 3
M-V -2.4477 -41.189 -220.324 -263.9607 93 8 5 9468 1 21 19
M-2 -107.2757 23.5994 -392.381 -476.0573 113 18 9 14301 3 30 29
N-1 -115.5552 24.667 -399.23 -490.1182 113 15 9 14352 3 27 30
N-2 -45.8824 -16.3788 -190.757 -253.0182 53 19 3 6915 4 11 11
O-P -47.6546 -16.4625 -351.052 -415.1691 125 17 7 13731 1 21 18
O-Q 0.0 0.0 -18.8821 -18.8821 12 1 1 636 0 2 2
O-R 0.0 0.0 -0.0626 -0.0626 5 0 0 27 0 1 2
O-S 0.0 0.0 -4.9831 -4.9831 10 0 0 300 0 1 0
O-T 0.0 0.0 -26.9504 -26.9504 21 4 0 1460 0 0 2
O-U -69.6788 -36.5332 -420.215 -526.427 132 19 14 16076 3 20 29
O-V -50.9531 -25.557 -156.751 -233.261 71 15 4 6288 1 17 18
O-W -9.3595 3.9591 -118.215 -123.6154 54 1 2 4659 1 16 20
P-Q -87.0232 -4.4699 -426.159 -517.6521 132 20 8 16244 1 30 32
P-V 0.0 23.2803 -4.9205 18.3598 11 0 0 225 0 5 4
P-W -6.5315 -5.8892 -121.317 -133.7377 52 5 0 5200 0 16 19
P-X -10.0635 -26.0939 -133.986 -170.1434 49 8 2 4597 3 20 23
Q-R -68.6915 -19.5393 -361.57 -449.8008 130 23 9 14020 2 27 27
Q-S 0.0 0.0 -0.0855 -0.0855 2 0 0 25 0 1 0
Q-X -10.1822 -7.4076 -88.8435 -106.4333 44 6 2 3881 1 17 13
Q-Y -29.532 -37.5478 -58.5692 -125.6491 34 1 1 2504 9 27 23
R-S -76.5915 -53.9849 -302.825 -433.4015 116 19 7 11615 2 35 36
R-Y -11.506 -47.406 -94.6497 -153.5617 52 3 1 4349 6 28 26
R-Z -4.7656 -27.2366 -139.372 -171.3742 54 1 0 4781 3 31 31
S-T -54.8884 -29.897 -388.437 -473.2223 127 15 11 14336 2 30 31
S-U 0.0 0.0 -0.0922 -0.0922 4 0 0 28 0 0 0
S-Z -2.6809 -19.3883 -77.828 -99.8973 44 3 0 3109 2 13 19
S-1 -3.0405 -17.3151 -138.409 -158.7646 54 3 3 5174 1 28 12
T-U -76.0693 -36.492 -415.834 -528.3954 125 17 9 14928 2 27 27
T-1 -21.4541 -70.1087 -103.106 -194.6688 53 6 2 4015 7 33 22
T-2 -11.1912 -16.8619 -98.4163 -126.4694 51 1 2 4497 2 14 9
U-V -24.6357 -68.512 -183.222 -276.3697 58 4 1 6246 11 14 21
U-2 -11.857 -40.8576 -90.2325 -142.9471 46 1 4 3770 2 14 16
V-W -146.687 -160.5344 -387.859 -695.0804 143 16 14 15160 11 43 34
V-2 -37.0648 -38.4417 -96.0036 -171.51 68 3 2 3882 3 15 7
W-X -18.6788 -61.3002 -120.43 -200.4091 76 7 4 6030 3 13 11
X-Y -22.2108 -70.136 -145.943 -238.2898 74 13 4 6308 8 22 23
Y-Z -46.0451 -31.7136 -166.119 -243.8777 79 5 4 5832 4 24 13
Z-1 -50.5568 -6.3926 -232.669 -289.6184 90 11 5 9566 8 27 23
1-2 -16.8942 -22.5398 -137.331 -176.765 65 3 1 5965 2 22 16