3GPT
crystal structure of the yeast 20s proteasome in complex with salinosporamide derivatives: slow substrate ligand
Total interactions analyzed 378
Total true interactions 96
Strongest Interaction Chains G-H
Int. Res. 59
Norm. En. per Res. -4.8192
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 -53.0252 -16.6732 -420.069 -489.7675 135 24 7 15875 1 22 21
A-C 0.0 -10.3548 -17.2906 -27.6454 12 0 1 597 0 2 2
A-D 0.0 0.0 -2.0127 -2.0127 5 0 0 117 0 2 1
A-E 0.0 0.0 -6.4296 -6.4296 9 3 0 392 0 1 0
A-F 0.0 0.0 -24.8888 -24.8888 16 1 0 1024 0 0 1
A-G -62.0616 -32.8173 -407.294 -502.1729 131 24 13 15899 2 22 28
A-H -44.0417 -27.5396 -164.585 -236.1663 70 11 3 6347 5 17 18
A-I -20.289 -3.6508 -129.445 -153.3848 55 1 2 4915 2 16 21
B-C -68.8164 17.5059 -499.501 -550.8114 145 34 9 18883 1 34 37
B-D -14.4536 -18.07 -20.4798 -53.0034 14 3 0 902 2 8 6
B-E 0.0 -19.7762 -23.9052 -43.6814 14 7 0 833 0 4 2
B-F 0.0 0.0 -20.636 -20.636 17 0 0 967 0 1 1
B-G 0.0 4.4374 -35.9241 -31.4867 17 0 3 1149 0 2 5
B-H 0.0 15.2746 -1.5089 13.7657 9 0 0 108 0 5 4
B-I 0.0 -6.2071 -111.608 -117.8151 49 2 1 4795 0 16 17
B-J -20.3104 -28.9917 -134.9 -184.2021 48 11 2 4643 4 20 23
C-D -71.4456 -39.627 -392.736 -503.8086 120 26 9 14382 2 27 28
C-E 0.0 0.0 -0.0551 -0.0551 3 0 0 19 0 1 0
C-J -14.3595 -14.4616 -92.0124 -120.8335 42 4 2 4028 2 17 13
C-K -35.4514 -41.0339 -57.464 -133.9494 34 3 1 2494 8 28 24
D-E -48.2262 -42.024 -307.408 -397.6582 119 19 7 12187 3 33 36
D-G 0.0 0.0 -0.0108 -0.0108 2 0 0 7 0 0 0
D-K -11.5964 -58.4401 -95.417 -165.4535 50 6 1 4224 6 27 26
D-L -9.1147 -39.4168 -136.138 -184.6696 52 2 0 4717 2 31 30
E-F -65.372 -26.9916 -404.334 -496.6976 130 18 11 14933 2 30 34
E-L -8.6889 -19.2319 -82.8018 -110.7225 42 8 0 3198 1 13 20
E-M -4.436 -19.9213 -139.47 -163.8272 54 3 3 5139 2 29 12
F-G -92.3192 -23.6435 -407.503 -523.4658 128 17 9 15142 4 27 27
F-M -22.6504 -75.4092 -100.617 -198.6767 54 5 2 3948 6 34 22
F-N -17.5151 -24.8463 -93.2618 -135.6232 50 3 2 4196 2 14 10
G-H -28.0067 -77.6036 -178.72 -284.3304 59 6 1 6176 11 14 21
G-N -16.3264 -39.7317 -84.5409 -140.599 46 1 4 3679 2 13 16
G-1 -2.2693 0.0 -11.0758 -13.3451 13 4 0 523 0 3 4
H-I -139.695 -151.4251 -386.755 -677.875 144 21 13 15443 12 42 35
H-N -35.1755 -43.2461 -90.6702 -169.0918 63 5 2 3623 3 15 4
H-Y 0.0 0.0 -10.1415 -10.1415 7 0 1 532 0 0 0
H-Z -91.5655 -65.8103 -381.771 -539.1468 116 24 5 14660 4 34 39
H-1 -2.5076 -39.0307 -209.345 -250.8834 92 2 5 9023 1 21 18
I-J -7.9072 -55.0226 -114.47 -177.3998 74 6 4 5603 3 13 11
I-Y -76.6569 -46.9605 -269.061 -392.6784 92 9 4 9911 4 20 20
I-Z -42.1168 -34.6582 -182.843 -259.618 72 11 1 7574 3 19 20
J-K -38.6439 -34.8775 -143.975 -217.4964 66 11 4 6070 3 22 21
J-X -53.203 -10.6134 -155.306 -219.1223 58 21 4 6835 2 20 30
J-Y -31.5152 -41.3122 -200.953 -273.7803 74 9 1 7758 5 19 18
K-L -66.669 -30.0383 -165.185 -261.8923 81 8 4 5873 3 24 15
K-V 0.0 0.0 -10.0353 -10.0353 7 0 1 531 0 0 0
K-W -76.8175 -46.7204 -269.125 -392.6629 93 8 4 9906 4 20 20
K-X -30.1974 -40.1327 -201.388 -271.7181 74 9 1 7784 5 19 18
L-M -59.1248 5.9249 -236.681 -289.8809 90 13 5 9582 9 26 23
L-V -92.4576 -65.5215 -386.674 -544.653 116 22 5 14689 4 34 39
L-W -41.5138 -33.8377 -187.707 -263.0586 72 12 1 7519 3 19 20
M-N -15.2316 -22.0542 -141.455 -178.7408 65 4 1 5979 2 22 14
M-U 0.0 0.0 -11.3127 -11.3127 13 2 0 512 0 3 4
M-V -4.7553 -39.6975 -206.632 -251.0848 93 2 5 8969 1 20 18
M-2 -130.2117 26.7157 -397.965 -501.461 114 22 10 14343 3 30 30
N-1 -129.7726 26.7394 -396.15 -499.1831 114 22 10 14325 3 30 31
N-2 -57.3337 -25.3193 -176.13 -258.7829 54 24 3 6773 4 12 11
O-P -55.3495 -16.6528 -430.066 -502.0683 135 20 7 15877 1 22 21
O-Q 0.0 -11.1217 -19.0012 -30.1229 13 0 1 628 0 2 2
O-R 0.0 0.0 -2.4265 -2.4265 5 0 0 130 0 2 1
O-S 0.0 0.0 -6.9361 -6.9361 9 3 0 384 0 1 0
O-T 0.0 0.0 -23.7823 -23.7823 16 1 0 1009 0 0 1
O-U -69.2851 -32.243 -442.15 -543.6781 133 28 13 16440 2 24 28
O-V -46.6352 -27.5248 -168.811 -242.9709 71 12 3 6357 5 17 18
O-W -21.6599 -3.5947 -122.746 -148.0006 55 1 2 4808 2 16 20
P-Q -63.4402 9.8992 -475.532 -529.073 140 29 9 18194 1 34 37
P-R -14.0494 -18.5094 -23.1896 -55.7484 14 4 0 962 2 8 6
P-S 0.0 -19.2584 -22.4301 -41.6885 14 6 0 804 0 4 2
P-T 0.0 0.0 -20.7891 -20.7891 17 0 0 976 0 1 1
P-U 0.0 4.6494 -40.4064 -35.757 17 1 3 1226 0 2 5
P-V 0.0 15.1995 -1.5875 13.612 10 0 0 118 0 5 4
P-W 0.0 -6.1434 -106.679 -112.8224 49 3 0 4678 0 17 19
P-X -19.9623 -28.7153 -136.342 -185.0196 49 14 3 4704 4 21 23
Q-R -70.5378 -39.8493 -384.887 -495.2741 120 27 9 14373 2 27 28
Q-S 0.0 0.0 -0.0556 -0.0556 3 0 0 20 0 1 0
Q-X -14.18 -14.4855 -89.7681 -118.4336 42 4 2 3980 2 17 13
Q-Y -34.4091 -39.3945 -55.0412 -128.8448 34 2 1 2418 8 28 23
R-S -67.8599 -41.8307 -330.178 -439.8685 120 23 7 12617 3 34 36
R-U 0.0 0.0 -0.0219 -0.0219 2 0 0 8 0 0 0
R-Y -11.1342 -58.141 -94.8467 -164.1219 49 6 1 4216 6 26 26
R-Z -7.4333 -39.4824 -136.812 -183.7277 52 3 0 4752 2 31 30
S-T -73.0337 -27.1418 -412.28 -512.4555 132 20 12 15083 2 30 34
S-Z -8.6012 -19.8252 -84.4372 -112.8636 43 7 0 3236 2 13 20
S-1 -3.8888 -19.9305 -142.128 -165.9473 54 4 3 5195 2 29 12
T-U -81.3362 -23.715 -409.943 -514.9942 130 21 9 15142 4 26 27
T-1 -23.0766 -74.7933 -100.133 -198.0029 55 6 2 3931 6 33 22
T-2 -14.7094 -24.1977 -92.9722 -131.8793 49 2 2 4196 2 14 10
U-V -19.8287 -76.7712 -177.223 -273.8229 59 6 1 6096 11 14 21
U-2 -15.2558 -38.1278 -84.1498 -137.5334 46 1 4 3656 2 13 16
V-W -142.9267 -152.7963 -389.235 -684.958 144 22 13 15452 13 42 35
V-2 -33.7988 -42.6342 -92.1458 -168.5788 63 5 2 3651 3 15 4
W-X -4.8913 -54.1238 -113.33 -172.3451 72 4 4 5552 3 13 11
X-Y -38.814 -35.1519 -145.432 -219.3979 66 13 4 6109 3 22 21
Y-Z -66.8889 -30.3116 -171.378 -268.5785 79 8 4 5932 3 24 17
Z-1 -63.7625 5.3891 -234.176 -292.5494 91 13 5 9585 9 26 23
1-2 -15.2591 -21.7054 -138.886 -175.8506 65 3 1 5935 2 22 14