3MG0
structure of yeast 20s proteasome with bortezomib
Total interactions analyzed 378
Total true interactions 97
Strongest Interaction Chains N-2
Int. Res. 55
Norm. En. per Res. -5.1215
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 -53.833 -16.3309 -423.806 -493.9698 137 21 7 15817 1 23 21
A-C 0.0 -10.4206 -20.5074 -30.928 13 0 1 658 0 2 2
A-D 0.0 0.0 -2.1364 -2.1364 5 0 0 117 0 2 1
A-E -2.2458 0.0 -12.5905 -14.8363 9 2 0 419 0 1 0
A-F 0.0 0.0 -22.9718 -22.9718 16 0 0 991 0 0 1
A-G -84.0307 -33.3331 -440.129 -557.4928 132 26 13 16173 2 24 26
A-H -41.9842 -26.6765 -167.049 -235.7098 70 11 3 6349 3 18 17
A-I -18.9782 -5.4749 -122.639 -147.092 55 6 2 4829 2 16 20
B-C -55.8633 7.8963 -496.891 -544.858 143 28 9 18574 1 33 35
B-D -15.0776 -16.5166 -23.1327 -54.7269 14 1 0 882 2 8 5
B-E 0.0 -9.6664 -26.8863 -36.5527 16 4 0 850 0 4 2
B-F 0.0 0.0 -23.9087 -23.9087 18 1 0 1018 0 1 1
B-G 0.0 4.1218 -35.8308 -31.709 17 0 3 1163 0 2 5
B-H 0.0 12.1916 -0.8681 11.3235 9 0 0 86 0 5 4
B-I -5.9126 -6.2959 -110.818 -123.0265 51 2 0 4775 0 16 18
B-J -19.5849 -31.0465 -143.849 -194.4804 49 10 3 4794 4 20 23
C-D -84.5399 -54.9209 -381.4 -520.8608 121 21 9 14049 3 26 27
C-E 0.0 0.0 -0.0418 -0.0418 3 0 0 16 0 1 0
C-J -12.7649 -13.6912 -88.4068 -114.8629 43 3 2 3880 2 17 13
C-K -33.6519 -39.632 -57.3058 -130.5897 34 2 1 2546 9 31 22
D-E -75.0995 -42.6795 -307.001 -424.78 122 14 7 12050 2 35 35
D-G 0.0 0.0 -0.0165 -0.0165 2 0 0 6 0 0 0
D-K -16.6219 -53.7604 -94.7302 -165.1125 51 9 1 4322 6 28 26
D-L -7.6905 -39.4268 -130.194 -177.3114 51 3 0 4680 3 31 29
E-F -64.4108 -28.982 -411.889 -505.2818 129 14 10 14955 2 31 34
E-L -6.3821 -20.1721 -81.7689 -108.3232 42 4 0 3199 2 13 21
E-M -3.1754 -20.3305 -134.666 -158.172 53 4 3 5148 2 29 12
F-G -77.1134 -24.0623 -416.326 -517.5016 129 18 9 15225 4 26 26
F-M -30.7325 -81.8035 -107.885 -220.4209 57 6 2 4166 7 33 22
F-N -19.6471 -22.4652 -95.5439 -137.6562 50 2 2 4353 2 14 10
G-H -28.1125 -75.8093 -185.052 -288.9738 60 7 1 6284 11 14 22
G-N -13.7558 -43.3608 -84.1954 -141.312 47 4 4 3735 2 15 18
G-1 -2.6084 -4.3429 -8.8927 -15.844 13 2 0 504 0 3 4
H-I -144.9454 -149.1329 -383.206 -677.2843 143 17 12 15249 8 42 35
H-N -39.2157 -45.7712 -102.734 -187.7209 66 5 2 3893 3 15 6
H-Y 0.0 0.0 -14.0155 -14.0155 8 1 1 613 0 0 1
H-Z -88.6417 -71.1377 -376.536 -536.3154 112 28 5 14420 4 33 39
H-1 0.0 -35.8076 -224.844 -260.6516 93 8 5 9302 1 21 18
I-J -11.6831 -60.2538 -114.626 -186.563 75 7 4 5781 4 13 11
I-Y -96.2858 -55.566 -279.615 -431.4668 91 15 4 10236 4 20 21
I-Z -42.4774 -32.118 -195.738 -270.3335 74 10 1 7594 3 19 21
J-K -40.5122 -37.057 -145.484 -223.0532 67 10 4 6173 3 21 20
J-X -49.5479 -4.9073 -160.473 -214.9281 58 18 4 6839 1 19 30
J-Y -35.4977 -39.5818 -209.597 -284.6765 74 8 3 8221 5 21 19
K-L -50.6519 -31.1554 -163.458 -245.2653 80 7 4 5842 4 24 14
K-V 0.0 0.0 -14.0277 -14.0277 8 0 1 623 0 0 0
K-W -94.1243 -53.7346 -285.35 -433.2089 93 12 5 10230 5 21 21
K-X -43.7954 -42.2328 -230.653 -316.6813 78 8 4 8425 5 21 18
L-M -57.6301 5.463 -243.643 -295.8101 93 9 5 9616 10 28 23
L-V -89.06 -66.4409 -379.389 -534.8899 113 21 6 14388 5 32 39
L-W -37.2374 -30.0236 -191.104 -258.365 74 12 1 7689 3 19 21
M-N -17.6408 -22.7928 -150.009 -190.4425 69 3 1 6184 2 22 15
M-U 0.0 -4.0926 -10.5207 -14.6133 13 2 0 512 0 3 3
M-V -2.2414 -38.1472 -220.412 -260.8005 93 6 5 9273 1 21 18
M-2 -118.6028 27.6236 -396.189 -487.1683 112 20 10 14252 4 29 31
N-1 -120.4883 27.1351 -403.442 -496.7951 112 21 10 14320 4 29 31
N-2 -59.1392 -22.7033 -199.84 -281.6824 55 21 3 6919 4 12 11
O-P -63.1359 -19.3998 -408.793 -491.3288 137 25 7 15756 1 22 21
O-Q 0.0 -11.7263 -20.7701 -32.4964 12 0 1 665 0 2 2
O-R -8.1666 0.0 -2.0009 -10.1675 5 0 0 114 0 2 1
O-S 0.0 0.0 -8.7516 -8.7516 9 2 0 357 0 1 0
O-T 0.0 0.0 -21.7161 -21.7161 17 0 0 979 0 0 1
O-U -68.5961 -35.8976 -428.71 -533.2036 132 23 13 16190 3 20 29
O-V -41.422 -26.9357 -166.819 -235.1768 72 10 3 6470 4 18 18
O-W -10.0024 -5.8524 -123.432 -139.2868 54 1 2 4779 2 16 21
P-Q -46.5707 7.7196 -475.813 -514.6642 141 23 9 18086 1 33 36
P-R -6.3618 -16.1917 -24.5188 -47.0723 13 2 0 877 2 8 6
P-S 0.0 -9.6287 -26.9294 -36.5581 16 4 0 855 0 4 2
P-T 0.0 0.0 -25.2688 -25.2688 18 0 0 1045 0 1 1
P-U 0.0 4.2866 -37.3592 -33.0727 18 2 3 1208 0 2 5
P-V 0.0 12.3597 -1.0358 11.3239 9 0 0 100 0 4 4
P-W 0.0 -7.0701 -113.528 -120.5981 50 3 0 4834 0 17 19
P-X -20.6528 -29.1168 -140.215 -189.9847 49 9 2 4703 4 20 25
Q-R -86.4827 -47.4991 -374.565 -508.5468 122 23 8 14005 2 26 27
Q-S 0.0 0.0 -0.0413 -0.0413 3 0 0 22 0 1 0
Q-X -11.0385 -14.7329 -89.4643 -115.2357 43 6 2 3918 3 17 13
Q-Y -34.9265 -38.9889 -57.6351 -131.5505 34 2 1 2506 8 29 22
R-S -67.9043 -40.4068 -309.369 -417.68 120 13 7 12188 2 35 35
R-U 0.0 0.0 -0.008 -0.008 2 0 0 5 0 0 0
R-Y -9.0313 -51.29 -99.2022 -159.5235 51 2 1 4275 6 28 26
R-Z -3.2328 -39.053 -137.627 -179.9128 52 1 0 4776 3 32 31
S-T -86.4526 -26.9385 -419.125 -532.5162 130 13 11 15156 2 32 34
S-U 0.0 0.0 -0.0003 -0.0003 2 0 0 1 0 0 0
S-Z -11.4879 -20.0622 -77.5573 -109.1075 44 4 0 3095 2 13 20
S-1 -11.9497 -23.6492 -148.387 -183.9859 54 4 3 5419 2 28 12
T-U -84.3429 -27.0561 -422.145 -533.544 131 18 9 15298 3 27 26
T-1 -20.3389 -78.1931 -102.314 -200.8461 56 7 2 4036 6 32 22
T-2 -10.2846 -20.8335 -99.1438 -130.2619 49 1 2 4417 2 14 10
U-V -34.3067 -78.8339 -179.72 -292.8606 59 6 1 6178 10 14 21
U-2 -14.2978 -30.4386 -88.2847 -133.0211 48 3 4 3753 2 13 15
V-W -146.6869 -155.9878 -388.217 -690.8917 141 18 12 15262 11 43 34
V-2 -34.4146 -45.7413 -97.8329 -177.9889 66 3 2 3817 3 15 5
W-X -8.9902 -56.2229 -115.438 -180.6511 75 3 4 5693 3 14 11
X-Y -40.0513 -35.0865 -137.665 -212.8028 65 10 4 6058 3 21 20
Y-Z -46.4967 -31.4594 -170.178 -248.134 81 5 4 5858 3 25 14
Z-1 -81.4728 -31.185 -247.968 -360.6257 93 14 5 9875 12 28 23
1-2 -14.8849 -23.2219 -146.847 -184.9538 67 4 1 6134 2 22 15