3GPW
crystal structure of the yeast 20s proteasome in complex with salinosporamide derivatives: irreversible inhibitor ligand
Total interactions analyzed 378
Total true interactions 98
Strongest Interaction Chains V-W
Int. Res. 144
Norm. En. per Res. -4.8432
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 -49.7343 -16.1345 -404.933 -470.8018 136 24 7 15770 1 23 21
A-C 0.0 -10.3613 -17.8538 -28.2151 13 0 1 604 0 2 2
A-D 0.0 0.0 -1.7624 -1.7624 5 0 0 105 0 2 1
A-E -3.9218 0.0 -9.6303 -13.5521 9 2 0 399 0 1 0
A-F 0.0 0.0 -25.6267 -25.6267 17 1 0 1058 0 0 1
A-G -65.5319 -34.9265 -414.538 -514.9964 131 19 14 15872 3 22 28
A-H -41.8854 -25.7855 -165.51 -233.1809 70 11 3 6369 3 18 20
A-I -12.8485 -9.4351 -121.494 -143.7776 55 2 2 4818 2 16 20
B-C -73.746 18.2697 -508.139 -563.6154 145 50 9 19210 1 34 37
B-D -10.2008 -17.8164 -21.0332 -49.0505 14 1 0 875 2 8 5
B-E -2.2037 -20.1337 -24.6978 -47.0352 15 4 0 830 0 4 2
B-F 0.0 0.0 -22.539 -22.539 18 0 0 998 0 1 1
B-G 0.0 4.3235 -35.3921 -31.0686 17 0 2 1147 0 2 5
B-H 0.0 14.8209 -1.3176 13.5033 9 0 0 98 0 5 4
B-I 0.0 -6.663 -113.988 -120.6509 50 3 1 4855 0 16 18
B-J -15.8634 -29.5263 -130.999 -176.3887 48 13 2 4660 3 20 23
C-D -75.7086 -46.2982 -392.818 -514.8248 120 25 9 14395 2 27 29
C-E 0.0 0.0 -0.0625 -0.0625 3 0 0 22 0 1 0
C-J -13.5406 -13.5671 -88.5773 -115.685 44 4 2 3945 2 17 13
C-K -33.8222 -38.2685 -56.1047 -128.1954 34 3 1 2456 9 29 24
D-E -53.1384 -43.0108 -289.412 -385.5612 119 16 7 11972 2 34 36
D-G 0.0 0.0 -0.0055 -0.0055 2 0 0 4 0 0 0
D-K -19.9652 -56.6991 -92.0935 -168.7578 50 8 1 4341 6 27 26
D-L -10.5516 -36.6755 -136.354 -183.5811 53 3 0 4711 4 31 30
E-F -66.4633 -26.8901 -398.042 -491.3953 129 18 12 14810 2 30 34
E-G 0.0 0.0 -0.0003 -0.0003 2 0 0 1 0 0 0
E-L -11.0764 -19.6418 -79.2291 -109.9473 42 7 0 3129 1 13 19
E-M -6.2208 -21.6462 -136.586 -164.453 54 3 3 5134 2 27 12
F-G -94.632 -23.3519 -399.794 -517.7779 130 18 9 15214 3 26 27
F-M -17.3658 -76.6042 -91.2609 -185.2309 54 8 2 3982 6 33 22
F-N -16.5856 -23.7287 -97.2531 -137.5674 49 2 2 4219 2 14 10
G-H -23.0761 -76.5917 -174.219 -273.8868 60 8 1 6171 11 14 21
G-N -15.9033 -40.7384 -87.0694 -143.7111 47 2 4 3723 2 13 16
G-1 -2.5026 -4.5204 -11.4386 -18.4616 14 2 0 516 0 3 4
H-I -140.4382 -161.204 -391.568 -693.2103 145 21 14 15611 12 42 35
H-N -35.4085 -41.6633 -85.4549 -162.5267 65 3 2 3620 3 15 6
H-Y 0.0 0.0 -11.0663 -11.0663 7 0 1 535 0 0 0
H-Z -92.2339 -63.7434 -372.334 -528.3113 115 25 5 14710 4 32 39
H-1 -2.8263 -39.0222 -210.607 -252.4555 92 3 5 9071 1 21 18
I-J -6.7817 -55.8452 -116.685 -179.3118 71 6 4 5648 4 13 11
I-Y -86.3891 -51.0748 -272.467 -409.9309 93 10 4 9952 5 20 20
I-Z -38.7588 -32.976 -188.692 -260.4269 72 13 1 7507 3 19 19
J-K -48.6402 -33.9066 -146.207 -228.7538 65 12 4 6087 3 21 21
J-X -45.0403 -5.9507 -146.836 -197.827 58 17 4 6738 2 18 30
J-Y -42.2599 -48.0887 -204.523 -294.8716 77 11 1 7796 5 18 18
K-L -69.3996 -33.5335 -165.29 -268.2231 79 8 4 5813 3 24 15
K-V 0.0 0.0 -10.8383 -10.8383 7 0 1 535 0 0 0
K-W -88.0875 -50.5722 -274.024 -412.6837 93 11 4 10000 5 20 20
K-X -42.005 -46.8704 -206.428 -295.3034 77 12 1 7890 5 18 18
L-M -52.4913 12.4378 -237.855 -277.9085 89 14 5 9524 9 26 23
L-V -87.5035 -63.0473 -379.054 -529.6048 117 24 5 14760 4 32 39
L-W -38.2748 -32.8071 -175.56 -246.6418 73 13 1 7521 3 19 19
M-N -16.6639 -22.4656 -140.285 -179.4144 65 5 1 5996 2 22 14
M-U 0.0 0.0 -11.122 -11.122 13 1 0 524 0 3 4
M-V -5.5369 -39.8145 -211.314 -256.6655 93 3 5 9108 1 21 18
M-2 -131.4328 28.1382 -398.948 -502.2426 114 20 10 14290 3 32 31
N-1 -132.647 28.1882 -396.788 -501.2468 114 21 10 14289 3 32 31
N-2 -53.4887 -27.5969 -169.963 -251.0487 56 26 3 6786 4 12 11
O-P -58.6848 -14.8378 -428.739 -502.2617 135 26 7 16038 1 23 22
O-Q 0.0 -10.9281 -19.8439 -30.772 13 0 1 625 0 2 2
O-R 0.0 0.0 -2.3342 -2.3342 5 0 0 126 0 2 1
O-S -4.0231 0.0 -9.0946 -13.1176 9 2 0 389 0 1 0
O-T -3.6211 0.0 -24.503 -28.1241 16 1 0 1026 0 0 1
O-U -76.0624 -34.5852 -448.809 -559.4566 132 26 14 16466 3 24 28
O-V -44.8321 -25.6472 -171.129 -241.6083 71 12 3 6483 2 18 20
O-W -11.6992 0.7041 -118.805 -129.8001 55 0 2 4667 2 16 20
P-Q -54.9098 7.8765 -437.756 -484.7894 139 26 7 17660 1 32 36
P-R -9.2587 -18.3135 -22.6744 -50.2467 14 4 0 938 2 8 6
P-S 0.0 -8.7822 -21.5534 -30.3356 14 3 0 779 0 4 2
P-T 0.0 0.0 -22.1742 -22.1742 18 0 0 989 0 1 0
P-U 0.0 4.5508 -40.0392 -35.4884 17 0 3 1223 0 2 5
P-V 0.0 14.7233 -1.48 13.2433 9 0 0 112 0 5 4
P-W 0.0 -6.7145 -111.952 -118.6665 50 3 0 4790 0 17 20
P-X -14.5872 -29.2143 -132.884 -176.6855 48 16 3 4722 3 20 23
Q-R -71.3168 -39.6028 -394.545 -505.4645 119 25 9 14389 2 27 29
Q-S 0.0 0.0 -0.0592 -0.0592 3 0 0 21 0 1 0
Q-X -10.9548 -13.3663 -82.461 -106.7821 41 5 2 3867 2 17 13
Q-Y -34.0569 -37.7632 -52.5255 -124.3456 34 2 1 2355 9 29 24
R-S -72.3615 -42.735 -326.663 -441.7596 121 24 7 12561 3 34 36
R-U 0.0 0.0 -0.0117 -0.0117 2 0 0 7 0 0 0
R-Y -14.7266 -56.4388 -95.3602 -166.5256 50 8 1 4295 6 26 26
R-Z -9.9909 -37.5806 -138.861 -186.4324 53 3 0 4784 3 31 31
S-T -68.5265 -26.9286 -411.497 -506.9521 133 20 12 15062 2 30 34
S-U 0.0 0.0 -0.0003 -0.0003 2 0 0 1 0 0 0
S-Z -11.4121 -20.1451 -81.2651 -112.8223 42 7 0 3159 1 13 19
S-1 -4.4762 -21.7058 -138.43 -164.612 54 3 3 5153 2 27 12
T-U -83.0751 -23.3689 -396.647 -503.091 130 17 9 15057 4 26 27
T-1 -16.8163 -76.5352 -92.3925 -185.744 54 8 2 3965 6 33 22
T-2 -13.9619 -24.0603 -95.6949 -133.717 50 2 2 4216 2 14 10
U-V -19.6814 -75.7375 -172.52 -267.9389 60 7 1 6071 11 14 21
U-2 -13.3024 -31.5329 -84.8374 -129.6727 47 1 4 3711 2 13 16
V-W -140.4609 -162.2849 -394.681 -697.4268 144 23 14 15584 12 43 35
V-2 -34.7899 -41.4735 -90.2188 -166.4822 65 3 2 3655 3 15 6
W-X -6.1409 -55.3054 -116.769 -178.2153 71 6 4 5624 4 13 11
X-Y -49.8134 -33.5883 -146.334 -229.7357 65 11 4 6095 3 21 21
Y-Z -69.8111 -34.0671 -168.539 -272.4171 79 9 4 5880 3 24 16
Z-1 -55.3644 11.9081 -236.323 -279.7793 90 13 5 9492 10 26 23
1-2 -16.6228 -22.4968 -138.109 -177.2285 64 2 1 5958 2 22 14