3OEV
structure of yeast 20s open-gate proteasome with compound 25
Total interactions analyzed 378
Total true interactions 90
Strongest Interaction Chains G-H
Int. Res. 58
Norm. En. per Res. -4.7834
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 -57.5637 -23.253 -350.934 -431.7506 124 14 7 13437 1 20 17
A-C 0.0 0.0 -22.0263 -22.0263 13 1 1 695 0 2 2
A-D 0.0 0.0 -0.0867 -0.0867 2 0 0 20 0 1 2
A-E 0.0 0.0 -8.173 -8.173 12 2 0 382 0 1 0
A-F 0.0 0.0 -35.101 -35.101 22 5 0 1531 0 0 2
A-G -86.9143 -19.4991 -434.704 -541.1174 132 25 14 16264 2 23 28
A-H -40.8522 -23.3307 -160.166 -224.349 70 11 3 6409 2 17 17
A-I -17.8436 -2.456 -126.737 -147.0366 55 1 2 4877 1 16 20
B-C -71.0374 -1.7758 -450.158 -522.9712 137 29 8 16901 1 30 31
B-H 0.0 14.7996 -2.3212 12.4784 10 0 0 163 0 5 4
B-I -14.1822 -5.5687 -114.818 -134.5689 49 4 0 4806 0 17 19
B-J -8.6405 -29.1324 -140.333 -178.1059 48 6 2 4659 3 20 23
C-D -57.7289 -5.521 -359.849 -423.0989 125 21 9 13442 2 26 27
C-E 0.0 0.0 -0.0899 -0.0899 2 0 0 26 0 1 0
C-G 0.0 0.0 -0.0035 -0.0035 2 0 0 2 0 0 0
C-J -11.7987 -12.3658 -87.9347 -112.0992 42 2 2 3894 3 17 13
C-K -34.7414 -37.3021 -59.16 -131.2035 37 2 1 2539 7 29 22
D-E -64.9525 -53.7092 -301.787 -420.4487 119 8 7 11613 3 36 34
D-K -22.4981 -48.749 -90.8652 -162.1123 51 8 1 4348 6 28 26
D-L -5.0797 -28.9785 -136.409 -170.4672 52 2 0 4765 3 31 29
E-F -56.863 -27.0201 -374.584 -458.4671 125 12 12 14002 2 30 32
E-G 0.0 0.0 -0.0315 -0.0315 3 0 0 13 0 0 0
E-L -4.3851 -20.0671 -83.6732 -108.1254 42 1 0 3193 2 13 18
E-M -3.6954 -23.3938 -139.573 -166.6622 54 6 3 5260 1 28 12
F-G -75.0682 -32.9692 -392.071 -500.1084 123 14 9 14468 3 23 27
F-M -24.9741 -73.6157 -107.081 -205.6708 57 6 2 4048 7 33 22
F-N -21.437 -23.0809 -103.709 -148.2269 51 3 2 4709 3 14 11
G-H -24.4237 -69.9114 -183.105 -277.4401 58 4 1 6353 10 14 22
G-N -14.8697 -42.4475 -86.5675 -143.8846 47 2 4 3753 2 14 17
G-1 0.0 0.0 -12.0551 -12.0551 15 1 0 509 0 3 4
H-I -122.5113 -164.3884 -377.027 -663.9267 145 21 13 15315 11 43 33
H-N -32.0479 -43.3096 -99.822 -175.1795 65 2 2 3886 3 16 7
H-Y 0.0 0.0 -9.7111 -9.7111 7 0 0 561 0 0 0
H-Z -88.4447 -68.1686 -383.177 -539.7903 114 21 5 14652 4 34 41
H-1 -2.1239 -33.8872 -221.927 -257.9381 91 6 5 9308 1 21 19
I-J -26.3292 -66.9544 -116.694 -209.9776 75 10 5 5914 3 12 11
I-Y -86.6844 -58.0033 -274.636 -419.3237 92 11 6 10447 5 20 21
I-Z -42.0218 -35.0795 -183.814 -260.9153 74 10 1 7452 3 19 19
J-K -25.1501 -42.178 -148.85 -216.1781 68 9 4 6215 4 21 21
J-X -58.9406 -6.1371 -179.052 -244.1297 59 13 4 6958 1 20 30
J-Y -43.5389 -53.2338 -242.127 -338.8997 77 6 3 8576 7 21 20
K-L -46.559 -30.3795 -172.489 -249.4275 75 5 4 5882 3 24 13
K-V 0.0 0.0 -13.9704 -13.9704 7 2 0 632 0 0 0
K-W -63.0762 -56.2296 -288.224 -407.5297 91 15 5 10446 5 21 20
K-X -47.1271 -51.2056 -237.149 -335.4817 77 13 3 8735 7 22 19
L-M -53.9414 -60.4798 -236.329 -350.7502 93 9 5 9492 11 29 24
L-V -87.8058 -69.0788 -372.364 -529.2486 114 22 6 14529 4 33 39
L-W -33.1007 -37.8769 -178.102 -249.0796 75 10 1 7330 4 19 20
M-N -16.5005 -22.3611 -140.856 -179.7176 67 2 1 5990 1 22 16
M-U 0.0 0.0 -10.6309 -10.6309 13 3 0 527 0 3 4
M-V 0.0 -39.0787 -225.809 -264.8877 93 6 5 9451 1 21 19
M-2 -110.3347 23.3869 -393.327 -480.2748 111 16 7 14236 3 28 29
N-1 -124.0043 23.105 -386.557 -487.4563 114 13 9 14173 4 27 30
N-2 -36.585 -14.6065 -190.943 -242.1345 53 17 3 6854 4 11 11
O-P -54.7632 -25.8581 -340.853 -421.4743 123 13 7 13642 1 20 18
O-Q 0.0 0.0 -18.9972 -18.9972 13 1 1 678 0 2 2
O-R 0.0 0.0 -0.1513 -0.1513 5 0 0 38 0 1 2
O-S 0.0 0.0 -6.4616 -6.4616 11 0 0 328 0 1 0
O-T 0.0 0.0 -20.5695 -20.5695 19 6 0 1444 0 0 2
O-U -67.3134 -28.2477 -414.519 -510.0801 132 27 14 16130 3 20 29
O-V -45.7195 -24.9948 -162.302 -233.0164 70 14 3 6335 1 15 15
O-W -16.0509 3.5883 -123.191 -135.6536 55 1 2 4810 1 16 20
P-Q -74.2397 -1.7711 -420.646 -496.6567 133 22 7 16112 1 28 32
P-V 0.0 21.497 -4.3024 17.1946 10 0 0 195 0 5 4
P-W -11.8595 -5.6675 -121.524 -139.0511 51 4 0 5075 0 17 20
P-X -8.2701 -23.2283 -138.403 -169.9014 48 5 2 4699 2 20 21
Q-R -58.6286 -18.8828 -357.603 -435.1144 127 24 9 13926 2 29 28
Q-S 0.0 0.0 -0.0825 -0.0825 2 0 0 26 0 1 0
Q-U 0.0 0.0 -0.0034 -0.0034 2 0 0 2 0 0 0
Q-X -12.255 -8.3032 -84.6554 -105.2136 43 4 2 3849 2 17 13
Q-Y -30.9186 -43.6891 -62.9103 -137.518 33 1 1 2542 9 29 22
R-S -52.7687 -64.8191 -313.041 -430.6289 120 12 7 11818 3 33 36
R-Y -19.0519 -47.0982 -96.1281 -162.2782 51 5 1 4355 6 28 26
R-Z -2.2775 -26.1499 -142.134 -170.5614 52 1 0 4857 3 32 30
S-T -54.8141 -33.9052 -377.696 -466.4154 127 12 11 14203 3 30 31
S-U 0.0 0.0 -0.0149 -0.0149 2 0 0 9 0 1 0
S-Z -8.3747 -31.9733 -75.0926 -115.4406 44 3 0 3215 2 13 20
S-1 -3.3108 -17.0628 -138.926 -159.2995 54 4 3 5272 1 27 12
T-U -88.011 -40.0249 -406.639 -534.6748 127 18 9 14882 1 26 27
T-1 -15.5963 -69.7826 -96.1496 -181.5285 56 5 2 4030 7 33 22
T-2 -11.4377 -20.1029 -97.3218 -128.8624 51 2 2 4557 2 14 10
U-V -28.0571 -67.1109 -181.291 -276.459 60 5 1 6196 10 14 21
U-2 -19.8277 -41.8714 -88.3339 -150.033 49 2 4 3812 2 15 16
V-W -145.682 -139.927 -380.666 -666.275 142 17 14 15249 11 42 34
V-2 -37.9241 -39.2557 -90.7945 -167.9743 64 3 2 3794 3 15 7
W-X -12.2727 -62.8964 -118.086 -193.2551 75 8 4 5921 3 13 11
X-Y -24.5727 -62.4983 -142.789 -229.8599 73 11 4 6241 6 22 23
Y-Z -44.7835 -32.0558 -166.672 -243.5113 78 9 4 5874 4 24 14
Z-1 -56.3259 15.5736 -235.252 -276.0044 93 9 5 9654 10 28 24
1-2 -15.645 -20.5633 -138.163 -174.3713 67 1 1 5879 1 22 15