2F16
crystal structure of the yeast 20s proteasome in complex with bortezomib
Total interactions analyzed 378
Total true interactions 96
Strongest Interaction Chains N-2
Int. Res. 54
Norm. En. per Res. -5.1409
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 -47.9556 -17.6731 -396.825 -462.4537 136 26 7 15768 2 23 21
A-C 0.0 -9.2554 -19.3775 -28.6329 13 0 1 615 0 2 2
A-D 0.0 0.0 -1.3166 -1.3166 5 0 0 97 0 2 1
A-E -2.7599 0.0 -9.7619 -12.5218 9 2 0 381 0 1 0
A-F -6.4567 0.0 -24.2267 -30.6834 16 1 0 1009 0 0 1
A-G -50.7991 -32.7889 -386.359 -469.9469 130 15 13 15245 2 21 22
A-H -39.4335 -29.8049 -165.367 -234.6054 68 11 3 6466 4 18 20
A-I -16.8043 -4.38 -118.929 -140.1133 55 5 2 4764 2 16 19
B-C -75.8748 23.6985 -523.033 -575.2094 143 57 9 19207 1 32 36
B-D -6.3193 -16.298 -18.351 -40.9683 14 2 0 838 2 8 5
B-E 0.0 -11.0184 -19.4157 -30.4341 13 7 0 807 0 3 2
B-F 0.0 0.0 -22.2602 -22.2602 18 0 0 968 0 1 0
B-G 0.0 4.2305 -31.735 -27.5045 17 2 3 1173 0 2 5
B-H 0.0 14.8452 -1.3362 13.5091 9 0 0 93 0 4 4
B-I -6.358 -7.2997 -119.227 -132.8847 51 7 1 4968 0 16 18
B-J -21.164 -31.3514 -132.546 -185.0614 48 16 3 4676 4 21 23
C-D -72.6318 -40.2098 -371.866 -484.7076 120 22 8 13993 2 28 28
C-E 0.0 0.0 -0.0405 -0.0405 3 0 0 17 0 1 0
C-J -14.0543 -14.9612 -87.1593 -116.1748 45 3 2 3940 2 17 13
C-K -27.8109 -37.3865 -55.549 -120.7465 35 2 1 2532 9 28 22
D-E -44.8675 -39.8194 -273.972 -358.6589 117 17 7 11526 2 34 36
D-G 0.0 0.0 -0.0033 -0.0033 2 0 0 3 0 0 0
D-K -10.9781 -52.4816 -90.2209 -153.6807 51 6 1 4124 6 27 26
D-L -7.9236 -37.8645 -133.476 -179.2641 51 2 0 4698 3 31 30
E-F -72.0289 -23.271 -413.584 -508.8838 130 18 11 15071 2 30 34
E-L -14.8308 -19.1434 -80.9151 -114.8893 42 3 0 3067 1 13 17
E-M -5.6689 -23.11 -146.75 -175.5288 54 4 3 5346 2 27 11
F-G -83.4906 -23.862 -403.509 -510.8616 130 22 9 15203 4 26 27
F-M -24.4441 -81.7354 -102.878 -209.0575 54 7 2 3902 7 33 22
F-N -25.0784 -26.4254 -97.8224 -149.3262 50 3 2 4328 2 14 10
G-H -30.8283 -75.8559 -171.052 -277.7362 59 6 1 6002 10 14 21
G-N -13.6754 -43.1228 -67.5029 -124.3011 48 6 4 3653 2 13 17
G-1 -2.1149 0.0 -12.1852 -14.3001 12 2 0 526 0 3 4
H-I -146.6208 -163.2813 -395.893 -705.795 145 29 14 15490 12 43 35
H-N -31.375 -40.1424 -85.7387 -157.2561 62 3 2 3460 3 15 4
H-Y 0.0 0.0 -16.3391 -16.3391 9 2 1 658 0 0 0
H-Z -92.8623 -65.5423 -375.444 -533.8486 113 28 5 14544 4 33 39
H-1 -2.8114 -40.1024 -206.128 -249.0418 91 6 5 8926 1 20 18
I-J -7.9984 -59.8193 -118.905 -186.7227 74 8 4 5854 4 14 11
I-Y -88.2872 -52.5842 -276.67 -417.5414 93 18 5 10155 4 21 21
I-Z -32.3501 -30.0883 -194.14 -256.5784 74 13 1 7687 3 20 20
J-K -44.4748 -35.7753 -136.804 -217.0541 65 9 3 6028 3 21 21
J-X -56.0628 -1.1943 -146.262 -203.519 59 22 4 6921 0 18 30
J-Y -39.7121 -41.5097 -215.206 -296.4277 76 15 1 8188 5 18 18
K-L -44.3055 -29.3971 -149.249 -222.9516 80 5 4 5472 3 23 14
K-V 0.0 0.0 -14.0485 -14.0485 8 1 1 620 0 0 0
K-W -90.6566 -52.717 -272.758 -416.1317 92 18 5 10153 4 21 21
K-X -37.2401 -36.7871 -219.142 -293.1692 76 12 3 8173 5 20 19
L-M -67.7762 -29.1812 -231.108 -328.0654 93 17 5 9513 11 27 22
L-V -89.0871 -67.6825 -387.087 -543.8566 114 24 5 14682 4 33 39
L-W -32.1444 -28.34 -193.749 -254.2333 74 11 1 7720 3 20 20
M-N -14.5823 -22.5614 -126.184 -163.3277 68 15 1 6067 2 22 15
M-U 0.0 0.0 -11.7699 -11.7699 12 2 0 517 0 3 4
M-V -5.5384 -40.4665 -207.956 -253.9608 92 6 5 9029 1 21 18
M-2 -129.6987 29.101 -382.878 -483.4757 113 25 10 14216 4 29 31
N-1 -129.4708 26.5344 -398.489 -501.4254 113 20 10 14134 4 28 31
N-2 -71.457 -25.4777 -180.675 -277.6097 54 24 3 6774 4 11 11
O-P -55.6306 -19.7643 -413.3 -488.6949 136 34 7 15954 1 23 22
O-Q 0.0 -9.5041 -19.2404 -28.7445 13 0 1 617 0 2 2
O-R 0.0 0.0 -1.4344 -1.4344 5 0 0 108 0 2 1
O-S -3.0105 0.0 -9.5731 -12.5836 9 2 0 371 0 1 0
O-T -5.8883 0.0 -25.4972 -31.3855 17 1 0 1061 0 0 1
O-U -78.7243 -31.8044 -450.584 -561.1127 133 32 14 16582 2 23 25
O-V -41.8415 -29.5398 -167.498 -238.8793 69 12 3 6503 4 18 20
O-W -10.2838 -12.2832 -121.34 -143.9069 53 2 2 4730 2 15 19
P-Q -33.1674 9.2154 -393.941 -417.893 134 23 6 16253 1 31 34
P-R -5.5947 -17.4923 -22.5807 -45.6677 14 5 0 936 2 8 5
P-S 0.0 -10.99 -20.3555 -31.3455 13 4 0 799 0 3 2
P-T 0.0 0.0 -23.2427 -23.2427 18 0 0 1017 0 1 0
P-U 0.0 4.2514 -37.5753 -33.3239 17 0 2 1176 0 2 5
P-V 0.0 14.4912 -1.4838 13.0075 9 0 0 106 0 5 4
P-W -7.1683 -7.3974 -113.163 -127.7287 51 7 0 4801 0 17 19
P-X -15.6222 -31.1311 -130.539 -177.2923 47 13 3 4627 3 21 23
Q-R -73.6951 -40.8552 -379.744 -494.2943 120 37 8 14213 2 27 27
Q-S 0.0 0.0 -0.0278 -0.0278 2 0 0 13 0 1 0
Q-X -10.8239 -15.2097 -82.3877 -108.4213 42 3 2 3812 2 16 13
Q-Y -27.9567 -37.583 -52.1304 -117.6701 34 2 1 2409 9 28 22
R-S -78.9477 -52.7596 -318.241 -449.9484 124 36 7 13221 3 36 38
R-U 0.0 0.0 -0.0058 -0.0058 2 0 0 4 0 0 0
R-Y -14.6307 -58.2934 -91.0909 -164.0151 50 10 1 4240 6 26 26
R-Z -5.8168 -36.3537 -139.5 -181.6705 53 3 0 4906 3 31 31
S-T -74.5568 -25.4512 -408.406 -508.414 129 17 12 14869 2 31 34
S-Z -15.5434 -32.4758 -85.4537 -133.4729 45 5 0 3212 1 13 19
S-1 -3.0292 -22.6484 -140.85 -166.5276 53 4 3 5176 2 27 11
T-U -77.5577 -21.8591 -403.439 -502.8558 129 23 9 15057 4 26 26
T-1 -24.8258 -81.1539 -101.031 -207.0107 54 6 2 3887 6 33 22
T-2 -21.4425 -25.1328 -90.5971 -137.1723 49 2 2 4153 2 14 10
U-V -29.3306 -76.0549 -174.682 -280.0676 59 6 1 6042 10 14 21
U-2 -11.7549 -41.8203 -80.5514 -134.1265 49 1 4 3612 2 12 16
V-W -125.9498 -157.6465 -386.007 -669.6033 144 23 14 15331 11 43 34
V-2 -35.4117 -41.9985 -94.8725 -172.2827 64 6 2 3723 3 15 5
W-X -7.287 -58.522 -107.514 -173.323 74 6 4 5419 4 14 11
X-Y -44.3869 -36.9631 -148.592 -229.942 67 11 3 6097 3 21 20
Y-Z -55.868 -30.2805 -163.929 -250.0774 81 8 4 5772 3 24 14
Z-1 -59.1757 6.5245 -229.195 -281.8461 91 11 5 9329 11 28 22
1-2 -13.3028 -22.2777 -128.333 -163.9134 67 12 1 5957 2 22 14