3NZJ
crystal structure of yeast 20s proteasome in complex with ligand 2a
Total interactions analyzed 435
Total true interactions 102
Strongest Interaction Chains G-H
Int. Res. 58
Norm. En. per Res. -4.826
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 -44.8123 -15.7697 -381.276 -441.8579 137 22 7 15399 1 22 21
A-C 0.0 -10.865 -16.3888 -27.2538 11 0 1 592 0 2 2
A-D 0.0 0.0 -1.8696 -1.8696 5 0 0 113 0 2 1
A-E 0.0 0.0 -9.2409 -9.2409 10 3 0 396 0 1 0
A-F -4.7113 0.0 -23.9904 -28.7017 16 1 0 1001 0 0 1
A-G -65.1363 -34.1645 -404.105 -503.4059 131 20 14 15709 3 23 27
A-H -42.3691 -25.668 -158.179 -226.2161 71 10 3 6312 4 17 17
A-I -22.166 -11.495 -121.506 -155.1671 55 2 2 4805 2 16 19
B-C -69.6471 14.275 -492.768 -548.1401 143 31 9 18520 1 32 36
B-D -8.4253 -16.9454 -20.6936 -46.0643 14 0 0 833 2 8 5
B-E 0.0 -8.8408 -22.3164 -31.1572 14 4 0 794 0 4 2
B-F 0.0 0.0 -21.5739 -21.5739 18 0 0 974 0 1 1
B-G 0.0 4.1994 -34.6865 -30.4871 17 0 2 1140 0 2 5
B-H 0.0 14.1458 -1.0102 13.1356 9 0 0 84 0 5 4
B-I 0.0 -6.6282 -109.704 -116.3322 49 2 0 4762 0 16 17
B-J -18.7753 -28.8303 -141.399 -189.0046 48 9 2 4695 3 20 24
C-D -77.1042 -47.1469 -365.37 -489.621 121 22 9 14016 2 27 28
C-E 0.0 0.0 -0.0567 -0.0567 3 0 0 20 0 1 0
C-J -14.6173 -12.3938 -82.3674 -109.3785 43 4 2 3819 2 17 13
C-K -33.5887 -40.1043 -57.1877 -130.8808 33 2 1 2435 9 28 22
D-E -44.1106 -40.2585 -295.153 -379.5221 118 17 7 11788 2 34 34
D-G 0.0 0.0 -0.003 -0.003 2 0 0 3 0 0 0
D-K -13.521 -52.511 -94.2375 -160.2695 51 7 1 4207 6 27 26
D-L -11.0249 -40.5307 -135.25 -186.8057 52 1 0 4655 3 31 29
E-F -58.4141 -25.5789 -397.004 -480.9969 130 16 12 14676 2 30 34
E-G 0.0 0.0 -0.0003 -0.0003 2 0 0 1 0 0 0
E-L -8.8279 -20.4084 -80.5916 -109.8279 41 2 0 3050 1 13 19
E-M -2.7161 -19.3388 -136.46 -158.5149 54 4 3 5101 2 29 12
F-G -79.0396 -23.4696 -393.673 -496.1822 129 14 9 14726 3 26 27
F-M -20.575 -77.4998 -97.29 -195.3648 55 7 2 4040 7 33 22
F-N -24.6491 -23.9119 -95.4875 -144.0486 51 2 2 4192 3 14 10
G-H -23.1239 -77.0434 -179.741 -279.9083 58 2 1 6118 10 14 21
G-N -15.158 -39.7904 -84.3561 -139.3045 47 2 4 3685 2 14 16
G-1 -2.2209 0.0 -10.2438 -12.4647 12 3 0 491 0 3 4
H-I -126.3881 -158.0007 -388.112 -672.5008 146 17 14 15481 10 43 35
H-N -33.5291 -38.8652 -92.8108 -165.2051 64 2 2 3651 3 15 4
H-Y 0.0 0.0 -12.84 -12.84 8 0 1 586 0 0 0
H-Z -89.0074 -71.1011 -365.681 -525.7895 114 19 5 14389 4 34 39
H-1 0.0 -36.1679 -211.594 -247.7619 91 5 5 9092 1 21 20
I-J -6.7858 -54.26 -115.702 -176.7477 75 5 4 5695 3 14 11
I-Y -80.4019 -54.0043 -264.946 -399.3522 88 15 5 9836 5 21 21
I-Z -45.7594 -38.2381 -182.451 -266.4485 72 10 1 7297 3 19 19
J-K -34.2236 -34.7791 -141.926 -210.9288 67 4 4 5975 3 21 20
J-X -45.9443 -4.2489 -161.387 -211.5802 60 31 4 7024 0 20 30
J-Y -39.248 -43.2528 -224.299 -306.7998 78 13 3 8348 6 22 18
K-L -55.716 -30.2347 -159.394 -245.3447 80 4 4 5779 3 23 14
K-V 0.0 0.0 -12.4748 -12.4748 8 0 1 578 0 0 0
K-W -84.6026 -54.2755 -271.043 -409.9211 90 17 5 9962 5 21 21
K-X -37.0337 -40.3244 -231.073 -308.4311 79 12 3 8492 6 22 18
K-3 -7.7953 0.0 -11.4587 -19.2539 17 0 5 485 0 0 0
L-M -55.6484 16.209 -236.69 -276.1294 91 11 5 9442 8 26 23
L-V -84.7666 -71.4212 -364.87 -521.0578 115 20 5 14417 4 34 39
L-W -45.1754 -35.4523 -188.746 -269.3738 72 12 1 7451 3 19 19
L-3 -5.557 0.0 -6.3806 -11.9376 9 2 0 250 0 0 0
M-N -12.0085 -22.7123 -132.687 -167.4078 69 5 1 5921 2 22 14
M-U 0.0 0.0 -10.0899 -10.0899 12 1 0 500 0 3 4
M-V 0.0 -35.9856 -213.031 -249.0166 90 4 5 9130 1 21 19
M-2 -110.3211 24.9239 -372.654 -458.0512 113 18 10 14000 4 28 31
N-1 -114.6427 25.7064 -376.615 -465.5513 113 17 10 14030 4 28 31
N-2 -43.1004 -18.9698 -181.45 -243.5202 53 18 3 6798 4 10 11
O-P -66.4133 -14.0284 -421.876 -502.3177 135 23 7 15920 1 23 22
O-Q 0.0 -11.5065 -18.0112 -29.5177 12 0 1 626 0 2 2
O-R 0.0 0.0 -2.282 -2.282 5 0 0 125 0 2 1
O-S 0.0 0.0 -9.4852 -9.4852 10 2 0 385 0 1 0
O-T -4.7782 0.0 -22.6744 -27.4526 16 1 0 973 0 0 1
O-U -74.5412 -33.6535 -445.51 -553.7047 133 22 14 16258 3 23 29
O-V -44.5251 -25.1634 -164.869 -234.5574 71 12 3 6414 4 17 19
O-W -12.5164 -1.0934 -117.467 -131.0767 56 0 2 4667 2 16 19
P-Q -56.0149 9.2928 -447.662 -494.3841 140 22 6 17562 1 32 35
P-R -8.773 -16.8245 -21.1984 -46.7959 14 3 0 851 2 8 6
P-S 0.0 -8.4741 -22.9905 -31.4646 14 4 0 790 0 4 2
P-T 0.0 0.0 -22.7096 -22.7096 18 0 0 996 0 1 1
P-U 0.0 4.4052 -38.4257 -34.0205 18 2 3 1213 0 2 5
P-V 0.0 13.9966 -1.1524 12.8442 9 0 0 95 0 5 4
P-W 0.0 -6.6894 -109.346 -116.0354 51 2 0 4759 0 17 19
P-X -11.1453 -28.5501 -141.635 -181.3304 48 11 3 4744 3 20 23
Q-R -73.8403 -41.6066 -357.267 -472.7138 121 21 8 13953 2 27 28
Q-S 0.0 0.0 -0.0553 -0.0553 3 0 0 20 0 1 0
Q-X -13.7734 -12.5629 -80.9523 -107.2886 42 4 2 3781 2 17 13
Q-Y -32.6285 -39.6359 -53.4129 -125.6774 33 1 1 2336 9 27 22
R-S -51.7125 -39.9242 -304.133 -395.7697 117 16 7 11934 2 34 35
R-U 0.0 0.0 -0.0106 -0.0106 2 0 0 7 0 0 0
R-Y -9.2059 -53.1694 -93.6414 -156.0166 50 8 1 4201 6 27 26
R-Z -10.5771 -40.2672 -131.323 -182.1673 52 1 0 4569 4 31 30
S-T -66.3653 -25.0838 -402.13 -493.5791 131 17 12 14760 2 30 34
S-U 0.0 0.0 -0.0003 -0.0003 2 0 0 1 0 0 0
S-Z -9.2635 -20.4054 -77.4631 -107.132 41 2 0 2992 1 13 18
S-1 -2.6316 -19.0575 -135.568 -157.2571 54 2 3 5080 2 28 12
T-U -75.0191 -23.2428 -403.07 -501.3319 132 16 9 14860 4 26 26
T-1 -20.2435 -76.5648 -95.0853 -191.8936 54 8 2 4002 7 33 22
T-2 -20.8332 -23.5561 -97.2202 -141.6095 51 2 2 4244 3 14 10
U-V -21.553 -76.299 -173.39 -271.242 59 2 1 6036 10 14 20
U-2 -13.5911 -29.7044 -83.8816 -127.1771 46 2 4 3632 2 13 16
V-W -131.575 -161.5031 -386.19 -679.2682 146 20 14 15473 10 43 35
V-2 -32.3858 -38.2363 -92.5187 -163.1408 64 2 2 3638 3 15 4
W-X -4.3853 -54.585 -114.47 -173.4404 74 4 4 5671 3 14 11
X-Y -33.6061 -33.7526 -140.943 -208.3017 65 5 4 5976 3 21 20
Y-Z -55.9149 -30.6702 -161.486 -248.0711 80 7 4 5837 3 23 14
Y-4 -7.8437 0.0 -11.2729 -19.1166 16 0 5 484 0 0 0
Z-1 -52.9329 11.2305 -236.365 -278.0674 91 11 5 9419 8 27 23
Z-4 -5.5925 0.0 -6.4723 -12.0648 8 2 0 250 0 0 0
1-2 -12.6484 -22.5954 -134.44 -169.6837 69 5 1 5876 2 22 14