3F9K
two domain fragment of hiv-2 integrase in complex with ledgf ibd
Total interactions analyzed 630
Total true interactions 102
Strongest Interaction Chains c-e
Int. Res. 46
Norm. En. per Res. -4.2883
Hub Node A(7)
Click on the Nodes or Edges in the network to see the details
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 -32.5407 -82.5022 -451.44 -566.4829 140 15 7 17248 9 19 24
A-C -50.3318 -47.5763 -91.3236 -189.2317 45 11 1 3434 5 27 19
A-I -15.1403 -12.5005 -105.429 -133.0698 69 6 1 4388 1 19 11
A-R 0.0 0.0 -0.4353 -0.4353 9 0 0 112 0 1 0
A-Y -14.6624 -12.26 -99.8801 -126.8024 66 4 1 4211 1 19 11
A-Z 0.0 3.7594 -93.1445 -89.3851 40 6 0 3666 0 11 10
B-C 0.0 -5.4689 -82.2413 -87.7102 32 5 1 3771 0 8 5
B-I 0.0 3.7231 -89.5571 -85.834 39 5 0 3587 0 10 10
B-K 0.0 13.8805 -81.1797 -67.2992 47 1 8 4410 0 15 5
B-Q 0.0 0.0 -2.2152 -2.2152 11 0 0 341 0 1 0
B-R 0.0 0.0 -1.0756 -1.0756 8 0 0 98 0 2 1
B-S -28.8493 0.0 -40.7859 -69.6352 36 13 0 2704 0 2 5
C-R -5.0457 0.0 -92.0091 -97.0548 40 15 0 3687 0 2 5
C-Z -14.7129 14.148 -84.3385 -84.9034 47 4 8 4642 0 15 5
E-F -24.3899 -79.1263 -454.591 -558.1073 140 12 7 17273 9 18 24
E-G -42.0238 -55.7643 -72.6794 -170.4675 47 10 1 3452 4 24 21
E-J 0.0 0.0 -1.8012 -1.8012 11 0 0 225 0 1 0
E-U -19.1975 -13.0281 -106.962 -139.1876 71 4 1 4432 1 19 11
E-g -14.7386 -12.7378 -97.1343 -124.6108 68 2 1 4204 1 19 11
E-h 0.0 3.7136 -88.0739 -84.3603 38 3 0 3420 0 10 10
F-G 0.0 -6.2013 -98.2877 -104.4891 34 10 1 4267 0 8 5
F-I 0.0 0.0 -0.6178 -0.6178 10 0 0 123 0 1 0
F-J 0.0 0.0 -0.6157 -0.6157 7 0 0 66 0 1 1
F-K -6.3024 0.0 -78.9818 -85.2842 37 11 0 3405 0 2 5
F-U 0.0 3.7259 -92.3457 -88.6198 38 4 0 3495 0 11 10
F-W -4.593 12.5046 -81.5105 -73.5989 48 2 8 4373 0 15 5
G-J -16.1366 0.0 -61.9789 -78.1155 38 9 0 3072 0 2 5
G-h -13.3959 10.8353 -70.733 -73.2936 46 3 8 4015 0 14 5
I-J -36.1426 -83.5417 -473.917 -593.6013 140 16 7 17800 9 19 24
I-K -50.6685 -47.9562 -92.214 -190.8387 46 11 1 3429 5 24 19
I-Y -11.1538 -11.5868 -92.7945 -115.5351 66 4 1 4077 1 19 11
J-K 0.0 -4.8632 -73.6324 -78.4956 32 3 1 3539 0 8 5
J-Y 0.0 3.858 -90.6744 -86.8164 39 7 0 3587 0 11 10
J-a 0.0 11.9932 -73.0479 -61.0547 46 3 8 4271 1 14 5
M-N -47.0901 -80.603 -468.447 -596.1401 140 22 7 17644 9 18 24
M-O -42.7844 -48.7756 -91.8937 -183.4538 47 7 1 3403 5 25 19
M-Q -11.0694 -11.6558 -85.4335 -108.1586 67 2 0 3923 1 18 11
M-V 0.0 0.0 -0.752 -0.752 10 0 0 142 0 1 0
M-c -13.4123 -13.2702 -101.919 -128.6015 70 4 1 4317 1 19 11
M-d 0.0 3.6372 -87.0288 -83.3916 38 3 0 3415 0 11 10
N-O 0.0 -5.6344 -72.6003 -78.2347 32 2 1 3525 0 8 5
N-Q 0.0 3.9839 -99.2847 -95.3008 39 6 0 3656 0 11 10
N-S -14.7219 9.9206 -62.3131 -67.1144 45 3 7 3881 0 12 5
N-U 0.0 0.0 -1.2847 -1.2847 11 0 0 179 0 1 0
N-V 0.0 0.0 -0.5781 -0.5781 6 0 0 55 0 1 1
N-W -16.8081 0.0 -40.6562 -57.4643 38 14 0 2776 0 2 5
O-V -8.005 0.0 -82.5931 -90.5981 39 13 0 3402 0 2 5
O-d 0.0 12.5166 -85.4287 -72.9121 47 2 8 4529 0 15 5
Q-R -19.7263 -80.5612 -445.922 -546.2095 140 12 7 17156 9 18 24
Q-S -55.1347 -56.4095 -80.8136 -192.3578 45 8 1 3316 6 26 19
Q-c -23.8866 -12.7627 -107.642 -144.2913 69 5 1 4419 1 19 12
R-S 0.0 -5.5335 -90.9941 -96.5276 34 5 1 3987 0 8 5
R-c 0.0 3.7813 -92.7762 -88.9949 39 5 0 3600 0 10 10
R-e -5.0759 6.9742 -92.7629 -90.8645 48 3 8 4745 0 17 5
U-V -32.6482 -82.1868 -457.038 -571.8731 140 16 7 17446 9 19 24
U-W -42.1399 -49.0751 -86.5198 -177.7348 46 11 1 3478 5 25 20
U-g -12.5497 -12.5127 -94.2388 -119.3012 68 3 1 4128 1 18 11
V-W 0.0 -5.3725 -88.7935 -94.166 34 6 1 3947 0 8 5
V-g 0.0 3.7382 -87.4294 -83.6912 39 3 0 3426 0 11 10
V-i 0.0 12.2317 -83.806 -71.5743 46 3 8 4543 1 14 5
Y-Z -34.2307 -84.2453 -453.861 -572.337 139 17 7 17389 9 19 24
Y-a -53.9166 -49.0039 -87.306 -190.2265 47 9 1 3426 5 26 19
Y-p 0.0 0.0 -0.9341 -0.9341 11 0 0 171 0 1 0
Z-a 0.0 -4.5633 -80.1729 -84.7362 32 4 1 3709 0 8 5
Z-o 0.0 0.0 -1.0943 -1.0943 11 0 0 196 0 1 0
Z-p 0.0 0.0 -0.8983 -0.8983 8 0 0 93 0 2 1
Z-q -10.8978 0.0 -80.4398 -91.3376 38 10 0 3301 0 2 5
a-p -7.5943 0.0 -89.4083 -97.0026 40 10 0 3475 0 2 5
c-d -41.4975 -83.4544 -454.831 -579.7829 140 16 7 17354 9 19 24
c-e -38.069 -53.0511 -106.143 -197.2632 46 13 1 3688 4 26 20
c-l 0.0 0.0 -0.7058 -0.7058 10 0 0 134 0 1 0
d-e 0.0 -5.1481 -85.6982 -90.8463 34 10 1 3837 0 8 5
d-k 0.0 0.0 -0.7736 -0.7736 11 0 0 145 0 1 0
d-l 0.0 0.0 -0.5315 -0.5315 7 0 0 62 0 2 1
d-m -9.7143 0.0 -73.7271 -83.4414 39 11 0 3234 0 2 5
e-l -11.0475 0.0 -65.8201 -76.8676 38 10 0 3240 0 2 5
g-h -26.7591 -80.423 -452.083 -559.2651 139 19 7 17296 9 19 24
g-i -48.8023 -48.5818 -91.7935 -189.1776 46 9 1 3435 5 26 19
g-t 0.0 0.0 -0.6348 -0.6348 10 0 0 141 0 1 0
h-i 0.0 -5.1595 -78.065 -83.2245 32 3 1 3624 0 8 5
h-s 0.0 0.0 -0.7653 -0.7653 10 0 0 138 0 1 0
h-t 0.0 0.0 -0.5233 -0.5233 7 0 0 63 0 2 1
h-u -10.3728 0.0 -61.4607 -71.8335 38 9 0 3050 0 2 5
i-t -8.9291 0.0 -87.3255 -96.2546 39 11 0 3398 0 2 5
k-l -38.8339 -79.4534 -452.696 -570.9833 140 15 7 17313 9 18 24
k-m -45.226 -52.8076 -87.8504 -185.884 46 11 1 3402 4 26 19
k-o -10.1465 -11.8607 -80.2836 -102.2907 66 2 0 3830 1 18 11
k-s -10.5626 -12.4037 -84.2546 -107.2209 68 2 0 3989 1 18 11
k-t 0.0 3.8075 -92.2617 -88.4542 38 4 0 3523 0 11 10
l-m 0.0 -5.1531 -78.4441 -83.5972 32 3 1 3650 0 8 5
l-o 0.0 3.78 -88.6769 -84.8969 38 2 0 3454 0 11 10
l-q -6.256 11.6153 -71.0617 -65.7023 45 3 8 4274 1 14 5
m-t -17.5355 12.8399 -80.585 -85.2806 47 4 9 4391 1 14 5
o-p -41.008 -82.1674 -442.542 -565.7173 139 14 6 17083 9 19 24
o-q -44.8136 -48.2867 -90.4379 -183.5382 46 7 1 3411 4 26 19
o-s -14.5334 -12.6136 -95.4938 -122.6408 67 3 1 4105 1 18 11
p-q 0.0 -4.7569 -81.3991 -86.156 32 4 1 3715 0 8 5
p-s 0.0 3.6397 -85.9419 -82.3023 38 2 0 3393 0 11 10
p-u -6.7388 13.6969 -79.3211 -72.3631 48 3 8 4433 0 15 5
s-t -30.0752 -83.1992 -459.932 -573.2063 140 16 7 17453 9 19 24
s-u -33.7483 -52.3543 -84.3952 -170.4978 47 10 1 3365 4 26 19
t-u 0.0 -4.7795 -83.7956 -88.5751 33 7 1 3770 0 8 5