3D29
proteasome inhibition by fellutamide b
Total interactions analyzed 378
Total true interactions 98
Strongest Interaction Chains N-2
Int. Res. 50
Norm. En. per Res. -5.421
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 -48.0709 -14.5568 -412.628 -475.2556 135 24 7 15882 1 23 21
A-C 0.0 -10.4398 -17.4093 -27.8491 12 0 1 599 0 2 2
A-D 0.0 0.0 -1.0889 -1.0889 5 0 0 77 0 2 1
A-E 0.0 0.0 -10.3647 -10.3647 10 4 0 434 0 1 0
A-F -5.3811 0.0 -27.6418 -33.0229 17 3 0 1106 0 0 1
A-G -83.2133 -38.1262 -428.483 -549.8225 132 24 13 15981 3 23 27
A-H -40.4447 -25.2767 -162.738 -228.4593 68 13 3 6288 5 19 19
A-I -17.3668 -9.2642 -120.307 -146.938 54 5 2 4704 2 15 20
B-C -62.017 19.1096 -518.099 -561.0065 144 45 10 19096 1 33 37
B-D -12.6527 -15.8572 -18.0312 -46.5411 13 3 0 802 2 8 5
B-E 0.0 -8.2482 -21.8682 -30.1164 14 5 0 783 0 4 2
B-F 0.0 0.0 -23.4616 -23.4616 18 0 0 990 0 1 1
B-G 0.0 4.2621 -33.4095 -29.1474 17 0 2 1146 0 2 5
B-H 0.0 13.6789 -1.0743 12.6046 9 0 0 88 0 3 4
B-I 0.0 -5.2528 -112.482 -117.7348 48 2 0 4794 0 16 15
B-J -17.3511 -32.2762 -132.812 -182.4393 49 11 3 4741 3 20 23
C-D -63.9264 -37.0136 -381.731 -482.6711 120 28 9 14367 2 27 26
C-E 0.0 0.0 -0.0612 -0.0612 3 0 0 20 0 1 0
C-J -12.6525 -13.3895 -92.642 -118.6841 45 4 2 3972 2 17 14
C-K -32.1585 -36.8575 -53.3041 -122.32 34 1 1 2408 9 29 22
D-E -48.9779 -41.5491 -287.751 -378.278 117 17 7 11769 2 35 32
D-G 0.0 0.0 -0.002 -0.002 2 0 0 2 0 0 0
D-K -8.251 -48.2868 -94.4859 -151.0237 50 5 1 4138 6 27 26
D-L -18.6327 -34.2143 -121.696 -174.543 47 2 0 4237 3 30 25
E-F -75.7669 -29.9946 -404.679 -510.4405 130 16 10 14795 2 30 34
E-G 0.0 0.0 -0.0003 -0.0003 2 0 0 1 0 0 0
E-L -10.3948 -18.763 -72.1109 -101.2687 40 6 0 3017 1 13 18
E-M -5.6066 -20.8939 -137.613 -164.1135 53 4 3 5141 2 28 13
F-G -90.5508 -20.7317 -402.528 -513.8106 129 17 9 15205 3 26 26
F-M -20.0379 -73.3424 -98.1352 -191.5155 55 4 2 3889 6 32 22
F-N -11.1272 -18.8088 -102.709 -132.6449 49 1 2 4432 2 14 10
G-H -23.4472 -74.8497 -182.094 -280.3908 61 3 1 6213 11 14 22
G-N -18.9869 -28.4919 -83.7905 -131.2694 45 2 4 3627 1 13 16
G-1 -2.5387 0.0 -9.7387 -12.2774 12 3 0 489 0 3 4
H-I -159.9345 -154.1988 -389.011 -703.1444 142 22 14 15369 11 42 34
H-N -35.5464 -42.2199 -94.7849 -172.5512 64 4 2 3670 3 15 5
H-Y 0.0 0.0 -16.9469 -16.9469 9 1 1 652 0 0 1
H-Z -98.0774 -69.2352 -380.675 -547.9876 116 24 5 14643 4 32 39
H-1 -2.4516 -37.3992 -208.916 -248.7668 93 4 5 9036 1 20 18
I-J -4.4449 -55.4532 -113.111 -173.009 73 4 4 5652 4 13 11
I-Y -79.259 -54.2189 -275.3 -408.7779 91 21 4 10294 5 21 22
I-Z -32.744 -29.5706 -196.42 -258.7346 73 13 1 7718 3 20 20
J-K -46.779 -18.9576 -142.976 -208.7126 67 14 4 6134 3 22 21
J-X -52.0661 -3.2883 -147.767 -203.1213 60 15 4 6819 0 18 30
J-Y -39.8816 -42.2948 -249.731 -331.9074 79 11 3 8912 6 22 19
K-L -45.8892 -36.3592 -156.488 -238.7364 79 7 4 5671 4 23 13
K-V 0.0 0.0 -17.5887 -17.5887 9 1 1 660 0 0 1
K-W -87.3962 -53.8414 -281.056 -422.2936 91 21 5 10321 5 21 22
K-X -38.5963 -40.4719 -251.566 -330.6342 80 13 3 8993 6 22 19
L-M -46.7601 10.1062 -233.926 -270.5799 92 11 5 9309 9 25 22
L-V -93.6234 -69.2736 -379.332 -542.229 116 23 5 14621 4 32 39
L-W -32.4878 -29.9818 -195.649 -258.1186 73 14 1 7715 3 20 20
M-N -11.9542 -21.6506 -134.986 -168.5908 63 5 1 5922 2 22 15
M-U 0.0 0.0 -9.3085 -9.3085 12 1 0 486 0 3 4
M-V -5.2714 -38.1964 -205.994 -249.4618 93 4 5 8966 1 20 18
M-2 -125.4344 25.5042 -395.519 -495.4493 112 16 10 14243 4 28 31
N-1 -127.6413 25.5644 -397.266 -499.3429 113 18 10 14282 4 28 31
N-2 -55.5096 -22.8777 -192.664 -271.0514 50 23 3 6803 4 12 11
O-P -51.8039 -14.3206 -436.189 -502.3135 135 24 7 16328 1 23 22
O-Q 0.0 -11.0528 -19.5915 -30.6443 12 0 1 638 0 2 2
O-R 0.0 0.0 -1.5554 -1.5554 5 0 0 97 0 2 1
O-S 0.0 0.0 -12.2922 -12.2922 10 3 0 436 0 1 0
O-T -4.7001 0.0 -24.2313 -28.9314 17 2 0 1022 0 0 1
O-U -91.4197 -37.0137 -448.103 -576.5364 133 32 13 16660 3 24 29
O-V -41.8668 -25.3057 -162.628 -229.8005 67 12 3 6318 4 18 19
O-W -10.4602 -16.4191 -111.729 -138.6083 53 4 2 4523 2 15 19
P-Q -51.4245 10.0363 -458.775 -500.1632 139 26 7 17766 1 32 36
P-R -15.4872 -15.1299 -19.6181 -50.2352 15 6 0 872 2 8 6
P-S 0.0 -18.6715 -25.1715 -43.843 15 3 0 778 0 4 2
P-T 0.0 0.0 -21.3607 -21.3607 18 0 0 972 0 1 1
P-U 0.0 4.1658 -32.1637 -27.9979 17 0 2 1120 0 2 5
P-V 0.0 14.0642 -1.3528 12.7115 9 0 0 103 0 4 4
P-W 0.0 -5.437 -113.202 -118.639 49 2 0 4817 0 17 17
P-X -15.9975 -31.6042 -134.213 -181.8147 48 11 3 4728 3 20 23
Q-R -64.9493 -36.971 -386.307 -488.2273 121 33 9 14447 2 27 26
Q-S 0.0 0.0 -0.057 -0.057 3 0 0 20 0 1 0
Q-X -11.8349 -13.084 -87.9792 -112.8981 44 3 2 3865 2 17 13
Q-Y -31.1938 -36.802 -52.8422 -120.838 34 1 1 2363 9 29 22
R-S -54.6397 -41.8554 -301.771 -398.2661 117 20 7 11954 2 34 32
R-U 0.0 0.0 -0.0022 -0.0022 2 0 0 2 0 0 0
R-Y -13.2304 -48.6615 -95.639 -157.5309 51 4 1 4176 6 27 26
R-Z -17.8729 -40.1526 -123.015 -181.0405 47 2 0 4276 2 30 25
S-T -74.9272 -29.5928 -409.366 -513.886 130 18 10 14930 2 30 34
S-U 0.0 0.0 -0.0003 -0.0003 2 0 0 1 0 0 0
S-Z -10.2877 -18.9429 -72.9179 -102.1485 41 6 0 3050 1 13 18
S-1 -5.837 -21.0393 -140.661 -167.5373 53 4 3 5199 2 28 13
T-U -87.9247 -20.3029 -404.206 -512.4336 129 22 9 15168 3 26 26
T-1 -20.5818 -72.951 -97.9569 -191.4897 55 4 2 3885 6 32 22
T-2 -7.3278 -18.7743 -104.031 -130.1331 49 1 3 4484 2 14 11
U-V -23.0476 -74.7948 -180.993 -278.8354 61 4 1 6189 10 14 22
U-2 -18.3859 -27.9035 -84.9708 -131.2602 45 2 4 3642 1 12 16
V-W -153.2249 -154.5941 -387.139 -694.958 142 21 14 15318 11 42 34
V-2 -34.2701 -41.8706 -95.3241 -171.4648 64 3 2 3681 3 15 5
W-X -4.7511 -56.4839 -110.924 -172.159 73 4 4 5578 4 13 11
X-Y -47.4736 -18.6927 -140.827 -206.9933 66 13 4 6110 3 21 20
Y-Z -46.0009 -36.6823 -160.946 -243.6292 79 4 4 5729 4 23 13
Z-1 -51.1488 9.8113 -232.511 -273.8485 92 13 5 9374 10 26 23
1-2 -12.1038 -21.4881 -137.339 -170.9309 64 2 1 5934 2 22 15