3NZX
crystal structure of the yeast 20s proteasome in complex with ligand 2c
Total interactions analyzed 435
Total true interactions 100
Strongest Interaction Chains V-W
Int. Res. 146
Norm. En. per Res. -4.7962
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 -53.5899 -15.8681 -412.074 -481.532 137 24 7 15910 1 23 22
A-C 0.0 -10.8679 -18.0477 -28.9156 12 0 1 615 0 2 2
A-D 0.0 0.0 -2.421 -2.421 5 0 0 132 0 2 1
A-E 0.0 0.0 -11.7322 -11.7322 9 1 0 422 0 1 0
A-F 0.0 0.0 -26.8332 -26.8332 17 2 0 1089 0 0 2
A-G -66.9947 -34.8756 -426.267 -528.1372 131 21 14 15904 3 21 27
A-H -48.8652 -28.3297 -166.114 -243.3089 71 12 3 6486 4 18 19
A-I -16.968 0.5204 -126.191 -142.6386 54 3 2 4908 2 16 19
B-C -72.2001 18.1487 -518.278 -572.3295 144 40 9 19201 1 34 37
B-D -15.3205 -16.645 -20.8258 -52.7913 13 1 0 848 2 8 5
B-E -2.433 -21.3111 -20.4464 -44.1904 15 5 0 840 0 4 2
B-F 0.0 0.0 -24.7856 -24.7856 18 0 0 1038 0 1 1
B-G 0.0 4.2941 -35.4689 -31.1748 17 0 2 1142 0 2 5
B-H 0.0 15.1273 -1.3275 13.7998 9 0 0 90 0 5 4
B-I -7.6272 -7.0988 -114.48 -129.206 50 3 0 4806 0 16 17
B-J -15.7122 -31.3317 -141.406 -188.45 49 19 3 4758 3 20 24
C-D -79.4363 -43.6819 -387.81 -510.9282 120 27 9 14607 2 28 28
C-E 0.0 0.0 -0.0898 -0.0898 3 0 0 26 0 1 0
C-J -14.1931 -11.7637 -87.2467 -113.2035 42 6 2 3997 2 17 13
C-K -29.8588 -41.5674 -60.0437 -131.4699 34 3 1 2487 8 27 22
D-E -50.1139 -40.8365 -293.661 -384.6114 118 19 7 12066 2 34 35
D-G 0.0 0.0 -0.0028 -0.0028 2 0 0 3 0 0 0
D-K -18.833 -54.8371 -93.8944 -167.5645 52 8 1 4241 6 28 26
D-L -8.8561 -40.2058 -140.306 -189.3679 52 2 0 4755 3 31 31
E-F -77.6138 -29.1345 -409.239 -515.9873 130 21 12 14898 2 30 34
E-L -9.8277 -21.7114 -80.8213 -112.3604 41 6 0 3118 2 13 19
E-M 0.0 -22.3727 -141.157 -163.5297 54 4 3 5241 2 29 13
F-G -87.6019 -24.9593 -415.548 -528.1091 128 20 9 15299 4 27 27
F-M -25.8676 -80.3574 -98.0326 -204.2576 55 10 2 4028 6 34 22
F-N -27.6376 -27.3922 -97.3305 -152.3602 52 4 2 4423 3 14 10
G-H -23.4205 -76.828 -183.652 -283.9005 60 8 1 6251 11 14 23
G-N -11.7377 -44.687 -81.8637 -138.2884 48 4 4 3718 2 13 17
G-1 -2.3182 0.0 -9.7095 -12.0277 12 4 0 531 0 3 4
H-I -135.4152 -166.9892 -392.57 -694.9744 147 26 14 15638 11 42 34
H-N -33.0678 -39.8019 -93.4581 -166.3278 65 3 2 3653 3 14 5
H-Y 0.0 0.0 -14.8198 -14.8198 9 0 1 628 0 0 0
H-Z -87.0003 -66.2218 -383.741 -536.9631 115 25 5 14714 4 33 38
H-1 -2.277 -40.212 -220.952 -263.4411 92 6 5 9321 1 22 19
I-J -9.0137 -59.4986 -118.041 -186.5533 74 6 4 5902 4 14 11
I-Y -83.033 -57.0223 -234.645 -374.7003 92 26 5 10433 5 21 22
I-Z -40.7249 -31.5391 -198.886 -271.1501 73 14 1 7732 3 19 19
J-K -38.9498 -19.4029 -143.969 -202.3217 68 7 4 6126 3 21 20
J-X -45.832 -5.4688 -128.543 -179.8438 58 21 4 7023 2 22 30
J-Y -26.7404 -38.8036 -240.566 -306.11 79 10 3 8705 6 22 18
K-L -58.9685 -33.613 -169.442 -262.0235 79 10 4 5919 4 23 14
K-V 0.0 0.0 -15.2789 -15.2789 9 0 1 647 0 0 1
K-W -83.5525 -56.9212 -233.429 -373.9027 92 26 5 10539 5 21 21
K-X -24.9791 -36.1678 -244.387 -305.5339 80 10 3 8826 5 22 18
K-3 0.0 0.0 -12.2033 -12.2033 16 0 5 519 0 0 0
L-M -65.2218 10.3967 -244.814 -299.6391 93 18 5 9724 11 27 23
L-V -80.2335 -65.861 -389.335 -535.4294 114 25 5 14713 4 33 38
L-W -39.9846 -31.3575 -201.522 -272.8641 73 15 1 7781 3 19 19
L-3 -11.1454 0.0 -6.2964 -17.4418 9 1 0 258 0 0 0
M-N -13.6862 -21.3423 -134.976 -170.0045 66 9 1 5960 2 22 14
M-U 0.0 0.0 -10.7755 -10.7755 13 3 0 529 0 3 4
M-V -2.4267 -40.8153 -219.123 -262.365 92 6 5 9317 1 22 19
M-2 -126.7039 25.6819 -398.522 -499.544 114 19 10 14314 3 29 31
N-1 -126.3399 25.7503 -398.866 -499.4557 115 20 10 14360 3 29 31
N-2 -56.1631 -24.5806 -173.065 -253.8087 54 21 3 6875 4 10 11
O-P -61.0781 -17.9665 -427.604 -506.6487 137 30 7 16262 1 22 22
O-Q 0.0 -11.6004 -20.5563 -32.1567 13 0 1 668 0 2 2
O-R -7.5434 0.0 -2.1413 -9.6848 5 1 0 150 0 2 1
O-S 0.0 0.0 -11.1458 -11.1458 10 1 0 407 0 1 0
O-T -3.0323 0.0 -25.3535 -28.3858 17 2 0 1061 0 0 1
O-U -79.633 -33.9799 -453.096 -566.7089 132 27 14 16462 3 22 27
O-V -51.6434 -28.6281 -165.506 -245.7775 71 11 3 6505 4 18 19
O-W -8.9051 -0.0775 -121.25 -130.2326 54 2 2 4797 2 16 19
P-Q -54.1483 8.149 -455.371 -501.3702 140 30 8 17921 1 32 36
P-R -13.3415 -17.0794 -22.0641 -52.4851 14 3 0 926 2 8 6
P-S 0.0 -10.2178 -21.0626 -31.2804 14 1 0 798 0 4 2
P-T 0.0 0.0 -24.247 -24.247 18 0 0 1026 0 1 0
P-U 0.0 4.5501 -41.4023 -36.8522 17 1 2 1247 0 2 5
P-V 0.0 15.3974 -1.5429 13.8545 10 0 0 107 0 5 4
P-W -5.1624 -7.1813 -111.44 -123.7837 50 3 0 4754 0 17 19
P-X -17.3529 -30.8752 -138.595 -186.8231 49 16 3 4808 3 21 23
Q-R -76.9617 -38.1101 -386.873 -501.9447 120 28 9 14534 2 26 28
Q-S 0.0 0.0 -0.0805 -0.0805 3 0 0 25 0 1 0
Q-X -13.231 -11.5811 -84.1441 -108.9563 42 7 2 3939 2 17 13
Q-Y -30.5977 -41.726 -54.3045 -126.6282 34 2 1 2410 8 27 22
R-S -70.2798 -40.659 -327.267 -438.2058 119 27 7 12662 2 34 36
R-U 0.0 0.0 -0.0106 -0.0106 2 0 0 7 0 0 0
R-Y -15.2135 -55.9312 -92.6649 -163.8096 50 8 1 4235 6 27 26
R-Z -7.2986 -38.5643 -141.472 -187.3349 53 3 0 4844 3 31 31
S-T -82.2256 -29.4826 -422.573 -534.2812 131 20 12 15187 2 31 34
S-Z -11.6361 -22.5535 -81.8263 -116.0159 41 6 0 3119 2 13 19
S-1 0.0 -22.3916 -142.867 -165.2586 54 4 3 5314 2 29 12
T-U -82.8645 -25.0424 -426.447 -534.3539 131 24 9 15506 4 28 27
T-1 -25.8223 -79.2661 -97.2649 -202.3533 55 10 2 4034 6 34 22
T-2 -24.1985 -26.5847 -97.5832 -148.3664 51 4 2 4404 3 14 10
U-V -20.0809 -75.7287 -180.792 -276.6016 59 8 1 6163 11 14 21
U-2 -10.2929 -31.438 -75.6165 -117.3473 49 5 4 3718 1 13 15
V-W -139.7117 -168.6307 -391.896 -700.2384 146 25 14 15655 11 42 34
V-2 -32.7616 -39.5235 -93.6081 -165.8931 65 4 2 3647 3 14 5
W-X -7.7909 -58.5459 -118.351 -184.6878 74 6 4 5892 3 14 11
X-Y -40.0982 -19.5093 -146.535 -206.1425 67 8 4 6119 3 21 20
Y-Z -60.3895 -33.718 -170.506 -264.6136 80 10 4 5965 4 23 14
Y-4 0.0 0.0 -12.138 -12.138 17 0 5 521 0 0 0
Z-1 -70.0072 -28.4813 -244.681 -343.1695 93 16 5 9750 11 27 23
Z-4 -10.9281 0.0 -6.4673 -17.3954 9 1 0 261 0 0 0
1-2 -13.7151 -22.5608 -136.685 -172.9609 66 5 1 5921 2 22 14