3OEU
structure of yeast 20s open-gate proteasome with compound 24
Total interactions analyzed 378
Total true interactions 89
Strongest Interaction Chains H-Z
Int. Res. 112
Norm. En. per Res. -4.8146
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 -62.3155 -23.3431 -348.866 -434.5246 126 17 7 13420 1 20 17
A-C 0.0 0.0 -16.6468 -16.6468 12 1 1 602 0 2 2
A-D 0.0 0.0 -0.1304 -0.1304 2 0 0 27 0 1 2
A-E 0.0 0.0 -7.6821 -7.6821 11 2 0 404 0 1 0
A-F 0.0 0.0 -38.8066 -38.8066 24 3 0 1571 0 0 2
A-G -89.3056 -19.9374 -431.843 -541.086 131 28 14 16243 2 22 28
A-H -45.8068 -25.5861 -169.226 -240.6189 70 9 3 6518 2 18 19
A-I -23.5249 -9.3242 -121.939 -154.7881 55 2 2 4790 1 16 20
B-C -70.6713 -6.9234 -434.013 -511.6077 139 28 8 16496 1 28 30
B-H 0.0 11.4734 -2.4038 9.0695 10 0 0 179 0 5 4
B-I 0.0 -5.4982 -112.445 -117.9432 50 3 1 4772 0 17 20
B-J -22.0181 -28.8514 -137.029 -187.8985 47 9 3 4689 5 20 23
C-D -70.6579 -5.8392 -357.877 -434.3742 124 22 9 13355 2 25 28
C-E 0.0 0.0 -0.0553 -0.0553 2 0 0 21 0 1 0
C-G 0.0 0.0 -0.0016 -0.0016 2 0 0 1 0 0 0
C-J -11.6824 -10.7472 -86.0579 -108.4875 43 3 2 3911 1 17 13
C-K -32.8261 -36.4473 -56.5556 -125.8289 35 2 1 2455 9 28 22
D-E -76.3604 -59.8615 -307.967 -444.1889 120 11 7 11814 3 36 32
D-K -18.3924 -47.7372 -94.5105 -160.6401 52 6 1 4260 6 28 26
D-L -8.383 -30.2442 -138.977 -177.6042 52 1 0 4747 3 31 27
E-F -59.133 -31.5394 -371.227 -461.8994 121 12 11 13949 2 29 32
E-G 0.0 0.0 -0.0003 -0.0003 2 0 0 1 0 0 0
E-L -5.6091 -18.6474 -82.3186 -106.5752 42 1 0 3189 2 13 19
E-M -4.5771 -23.5973 -135.602 -163.7765 53 4 3 5187 1 28 12
F-G -80.2872 -28.5518 -399.29 -508.129 123 16 9 14433 1 23 26
F-M -35.0065 -68.5767 -103.888 -207.4712 55 7 2 4010 7 32 22
F-N -25.3705 -24.7067 -101.943 -152.0202 50 2 2 4568 2 14 10
G-H -21.7437 -69.9512 -185.882 -277.577 59 3 1 6242 11 14 22
G-N -14.773 -32.5463 -85.6142 -132.9335 49 3 4 3748 2 14 18
G-1 -2.544 0.0 -10.8098 -13.3538 14 1 0 501 0 3 4
H-I -128.9635 -159.1445 -379.229 -667.337 144 17 13 15220 10 43 33
H-N -30.9303 -43.7294 -98.562 -173.2217 66 2 2 3757 3 15 7
H-Y 0.0 0.0 -12.4286 -12.4286 8 0 1 681 0 0 1
H-Z -92.075 -66.9171 -380.241 -539.2331 112 20 5 14485 5 34 39
H-1 0.0 -33.8978 -221.625 -255.5228 91 3 5 9254 1 21 20
I-J -15.8357 -70.7888 -112.571 -199.1955 74 9 4 6007 4 13 11
I-Y -76.5118 -58.3284 -293.108 -427.9481 93 14 6 10738 4 21 21
I-Z -42.8875 -34.8889 -199.334 -277.1105 73 9 1 7548 3 19 19
J-K -23.216 -37.3339 -150.842 -211.3919 67 7 4 6126 4 21 21
J-X -77.6157 -8.0541 -187.506 -273.1758 61 14 4 7181 2 20 30
J-Y -55.439 -51.7467 -253.466 -360.6517 75 10 3 8823 7 23 20
K-L -56.0229 -31.6416 -169.381 -257.0456 77 5 4 5774 4 25 13
K-V 0.0 0.0 -17.7801 -17.7801 8 1 1 730 0 0 1
K-W -72.3046 -56.7163 -295.429 -424.4498 90 16 5 10489 5 21 21
K-X -39.7234 -49.0098 -260.01 -348.7433 78 9 3 9040 6 23 18
L-M -40.428 11.4237 -234.19 -263.1943 92 8 5 9404 8 29 23
L-V -87.5077 -71.3884 -375.416 -534.3121 111 19 6 14382 5 33 39
L-W -37.9089 -35.717 -181.314 -254.9398 73 12 1 7507 4 19 19
M-N -15.7289 -21.2652 -138.961 -175.9551 65 3 1 5913 2 22 16
M-U 0.0 0.0 -6.6182 -6.6182 13 3 0 522 0 3 4
M-V -3.413 -37.8247 -225.648 -266.8857 93 4 5 9399 1 21 19
M-2 -104.1244 23.3258 -399.403 -480.2016 114 17 9 14412 4 27 29
N-1 -118.8297 24.3131 -402.447 -496.9637 111 15 10 14393 3 27 29
N-2 -35.6908 -15.3313 -200.353 -251.3752 54 13 3 6892 4 12 11
O-P -53.8208 -22.69 -349.264 -425.7748 124 19 7 13787 1 20 18
O-Q 0.0 0.0 -15.6431 -15.6431 13 2 1 643 0 2 2
O-S 0.0 0.0 -6.7946 -6.7946 9 0 0 317 0 1 0
O-T 0.0 0.0 -29.3866 -29.3866 21 2 0 1423 0 0 2
O-U -70.4538 -32.6716 -422.718 -525.8435 132 22 13 15976 3 20 29
O-V -45.3814 -25.6704 -167.705 -238.7568 69 11 3 6339 1 17 18
O-W -4.8402 4.4918 -114.078 -114.4264 54 1 2 4629 0 15 20
P-Q -74.1552 -12.9853 -424.429 -511.5695 133 16 9 16176 1 29 32
P-V 0.0 23.6355 -6.0413 17.5941 11 0 0 246 0 5 4
P-W -3.0777 -5.3126 -121.7 -130.0903 52 3 0 5047 0 17 22
P-X -8.7695 -25.0094 -132.015 -165.7939 48 8 2 4601 2 20 21
Q-R -57.3894 -3.8776 -357.385 -418.6521 123 25 9 13386 2 28 26
Q-S 0.0 0.0 -0.0558 -0.0558 2 0 0 20 0 1 0
Q-U 0.0 0.0 -0.0018 -0.0018 2 0 0 1 0 0 0
Q-X -10.8689 -12.4497 -82.0893 -105.4079 44 4 2 3895 2 17 13
Q-Y -32.6071 -40.2035 -57.388 -130.1987 34 2 1 2539 8 29 22
R-S -57.449 -64.6444 -298.154 -420.2474 111 14 7 10820 3 29 35
R-Y -17.9713 -46.2916 -98.3664 -162.6293 52 4 1 4349 5 28 26
R-Z -14.053 -29.0717 -139.793 -182.9178 51 1 0 4758 3 31 31
S-T -63.8592 -30.1618 -375.117 -469.138 127 17 12 14090 2 29 31
S-U 0.0 0.0 -0.0423 -0.0423 4 0 0 16 0 0 0
S-Z -2.749 -19.6324 -79.4457 -101.8272 44 1 0 3203 2 13 20
S-1 -4.0639 -16.3087 -134.874 -155.2467 54 4 3 5136 1 28 12
T-U -98.0 -37.8093 -412.217 -548.0262 126 19 9 14942 2 26 27
T-1 -25.1865 -71.1626 -98.8663 -195.2154 56 6 2 4109 6 33 22
T-2 -7.5817 -16.3452 -94.5348 -118.4616 49 1 2 4389 2 14 9
U-V -24.2935 -41.4924 -179.912 -245.6978 59 5 1 6155 11 14 21
U-2 -15.9549 -38.8621 -87.6649 -142.4819 50 2 4 3769 2 14 16
V-W -135.5624 -140.6863 -377.131 -653.3797 144 13 14 15137 9 41 34
V-2 -28.4871 -38.468 -96.8589 -163.814 66 3 2 3801 3 15 7
W-X -13.7947 -62.985 -119.399 -196.1787 76 9 4 6116 3 14 11
X-Y -28.3108 -63.5044 -149.329 -241.1443 74 9 4 6347 6 22 21
Y-Z -49.124 -29.7182 -164.952 -243.7942 77 5 4 5811 3 25 13
Z-1 -53.72 18.2664 -232.371 -267.8246 90 12 5 9578 10 27 23
1-2 -13.6285 -19.8289 -131.654 -165.1114 66 3 1 5900 1 22 15