3IA0
ethanolamine utilization microcompartment shell subunit, euts-g39v mutant
Total interactions analyzed 1128
Total true interactions 180
Strongest Interaction Chains h-i
Int. Res. 111
Norm. En. per Res. -5.1034
Hub Node G(13)
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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 -78.9556 -57.9013 -378.211 -515.0679 115 32 6 16262 5 25 26
A-C -4.9673 -19.6748 -8.2218 -32.8639 26 2 0 659 2 3 3
A-D 0.0 0.0 -12.9647 -12.9647 27 0 0 537 0 2 4
A-E -7.9449 -21.383 -6.6699 -35.9978 25 4 0 725 2 3 3
A-F -103.2724 -54.6647 -378.999 -536.9362 113 34 6 16478 5 25 26
A-U 0.0 0.0 -7.0852 -7.0852 22 1 0 567 0 9 7
A-V 0.0 0.0 -0.4872 -0.4872 5 0 0 68 0 4 6
B-C -89.3176 -57.2149 -387.373 -533.9054 113 33 6 16148 5 26 27
B-D -8.8962 -20.9088 -11.1608 -40.9658 25 4 0 766 2 3 3
B-E 0.0 0.0 -14.7938 -14.7938 28 0 0 567 0 2 4
B-F -3.9792 -18.9199 -9.3234 -32.2224 23 2 0 681 2 3 3
B-T -3.6635 5.1214 -7.7634 -6.3056 22 0 0 465 0 7 7
B-U 0.0 0.0 -0.0633 -0.0633 6 0 0 28 0 2 5
C-D -104.108 -56.485 -394.629 -555.222 112 39 6 16679 5 26 26
C-E -4.6691 -20.1846 -8.1479 -33.0016 24 4 0 708 2 3 3
C-F 0.0 0.0 -13.4099 -13.4099 28 0 0 540 0 2 4
C-S 0.0 0.0 -0.5451 -0.5451 3 0 0 65 0 4 4
C-T 0.0 -5.4052 -1.4053 -6.8105 5 0 0 148 0 6 7
C-h 0.0 -4.9875 -0.7414 -5.729 5 0 0 101 0 2 2
D-E -84.9231 -56.1009 -360.917 -501.941 110 28 6 15971 5 25 26
D-F -4.0295 -18.1307 -9.4367 -31.5968 24 1 0 686 2 3 3
D-S -5.0908 -13.5935 -0.2854 -18.9697 16 13 0 751 2 9 11
D-X 0.0 0.0 -0.0008 -0.0008 2 0 0 2 0 2 1
E-F -92.6382 -57.8318 -377.788 -528.258 113 33 6 16268 5 25 26
E-X -7.4168 43.2781 -10.2797 25.5816 18 11 0 1256 0 9 11
F-K 0.0 -23.0474 -20.4492 -43.4966 37 1 0 1219 1 11 11
F-V 0.0 0.0 -1.2557 -1.2557 5 0 0 74 0 5 4
F-W 0.0 -13.412 -4.8194 -18.2314 10 2 0 298 1 6 9
F-e 0.0 -4.063 -0.1686 -4.2316 4 0 0 39 0 1 2
F-g 0.0 0.0 -0.0057 -0.0057 2 0 0 3 0 0 0
F-j 0.0 0.0 -0.0003 -0.0003 2 0 0 1 0 1 1
G-H -95.5234 -56.8819 -383.594 -535.9993 113 33 6 16424 5 25 26
G-I -5.4294 -19.4388 -8.0722 -32.9403 24 3 0 689 2 3 3
G-J 0.0 0.0 -14.1043 -14.1043 28 0 0 554 0 2 4
G-K -4.964 -19.4976 -8.8701 -33.3317 23 3 0 727 2 3 3
G-L -103.8312 -60.9544 -407.617 -572.4026 113 40 6 16898 5 25 26
G-P 0.0 0.0 -0.5063 -0.5063 3 0 0 65 0 4 4
G-Q -5.7638 -14.8148 3.1517 -17.4268 18 16 0 818 2 9 11
G-f 0.0 -12.9321 -3.2953 -16.2274 7 0 0 255 0 1 2
H-I -76.8055 -55.2293 -353.909 -485.9438 109 27 6 15756 5 25 26
H-J -3.9741 -18.5664 -9.2213 -31.7618 24 1 0 661 2 3 3
H-K 0.0 0.0 -12.7086 -12.7086 27 0 0 522 0 2 4
H-L -5.273 -19.2546 -8.7615 -33.2891 23 2 0 700 2 3 3
H-O 0.0 6.736 -8.9359 -2.1999 24 2 0 624 0 9 7
H-P 0.0 -5.6331 -2.0878 -7.7208 6 0 0 202 1 7 8
I-J -97.1514 -59.7942 -382.146 -539.0915 112 32 6 16233 5 25 26
I-K -6.8839 -19.5789 -6.8473 -33.3102 24 2 0 692 2 3 3
I-L 0.0 0.0 -14.6882 -14.6882 28 0 0 551 0 2 4
I-N -13.584 -7.2599 -5.188 -26.0319 22 4 0 729 0 9 7
I-O 0.0 0.0 -0.1093 -0.1093 6 0 0 34 0 2 6
I-b 0.0 -4.4251 -0.9512 -5.3763 5 0 0 132 0 1 2
J-K -95.6228 -55.9834 -375.23 -526.8363 113 36 6 16247 5 26 26
J-L -11.2578 -21.8373 -8.8587 -41.9537 23 4 0 733 2 3 3
J-M 0.0 0.0 -1.5793 -1.5793 5 0 0 81 0 5 4
J-N 0.0 0.0 -0.7509 -0.7509 5 0 0 78 0 4 6
J-b 0.0 0.0 -0.0042 -0.0042 2 0 0 2 0 1 1
K-L -97.0506 -53.5796 -391.028 -541.6582 112 38 6 16557 5 26 27
K-M 0.0 -14.6554 -1.3592 -16.0145 10 2 0 332 1 6 9
K-V 0.0 -5.2948 -1.8262 -7.1211 16 0 2 213 0 7 7
L-Q 0.0 0.0 -0.0013 -0.0013 2 0 0 3 0 2 2
L-R -12.3056 53.7872 -24.283 17.1986 24 14 0 1527 0 9 11
L-Y 0.0 0.0 -0.0163 -0.0163 4 0 0 7 0 1 1
L-Z 0.0 0.0 -0.0171 -0.0171 2 0 0 7 0 1 2
L-f 0.0 0.0 -0.0007 -0.0007 3 0 0 2 0 1 1
M-N -97.0568 -56.9989 -390.652 -544.7077 114 38 6 16731 5 26 26
M-O -7.0677 -20.2803 -10.5167 -37.8648 23 3 0 717 2 3 3
M-P 0.0 0.0 -15.3553 -15.3553 28 0 0 577 0 2 4
M-Q -6.0443 -20.139 -7.2961 -33.4794 24 4 0 746 2 3 3
M-R -99.8211 -56.2572 -385.559 -541.6373 113 36 6 16519 5 26 26
N-O -81.8052 -57.1248 -373.641 -512.571 110 31 6 16154 4 25 27
N-P -5.0953 -18.0812 -8.9756 -32.1521 23 2 0 678 2 3 3
N-Q 0.0 0.0 -12.9662 -12.9662 26 0 0 506 0 2 4
N-R -4.3906 -20.766 -7.0404 -32.1971 23 4 0 684 2 4 3
O-P -99.8293 -60.4405 -400.642 -560.9119 113 33 6 16623 5 25 26
O-Q -6.8566 -18.9369 -7.6193 -33.4128 24 2 0 694 2 3 3
O-R 0.0 0.0 -14.6345 -14.6345 28 0 0 580 0 2 4
P-Q -91.3602 -58.6079 -378.903 -528.8712 113 35 6 16447 5 26 26
P-R -5.1218 -20.5988 -7.4233 -33.1438 24 4 0 724 2 3 3
Q-R -81.5508 -54.6272 -367.927 -504.1049 109 29 6 15812 5 25 27
R-V -4.7631 -22.2239 -24.0852 -51.0721 38 0 2 1309 2 10 12
S-T -88.4097 -58.8248 -395.041 -542.2755 113 34 6 16601 5 25 26
S-U -5.9158 -17.9527 -8.3785 -32.247 23 2 0 672 2 3 3
S-V 0.0 0.0 -13.6778 -13.6778 28 0 0 526 0 2 4
S-W -4.8218 -20.5301 -6.9431 -32.295 23 4 0 710 2 3 3
S-X -93.5368 -54.5012 -372.896 -520.934 111 35 6 16192 5 25 26
T-U -88.6359 -62.5819 -399.38 -550.5977 113 34 6 16573 5 26 26
T-V -8.1991 -20.8887 -10.3009 -39.3887 23 4 0 709 2 3 3
T-W 0.0 0.0 -13.7767 -13.7767 28 0 0 542 0 2 4
T-X -3.4801 -19.2442 -9.3397 -32.064 23 2 0 693 2 3 3
U-V -96.4088 -54.9428 -390.284 -541.6357 111 36 6 16341 5 25 27
U-W -5.2488 -18.7354 -9.5559 -33.5401 24 2 0 738 2 3 3
U-X 0.0 0.0 -14.235 -14.235 28 0 0 539 0 2 4
V-W -95.0092 -61.1462 -384.708 -540.8634 113 35 6 16429 5 25 26
V-X -6.3112 -18.9327 -8.035 -33.279 24 2 0 690 2 3 3
W-X -106.2836 -58.1276 -396.923 -561.3342 113 38 6 16731 5 25 26
Y-Z -110.6174 -56.8969 -390.131 -557.6452 114 38 6 16865 5 26 27
Y-a -7.4035 -21.1357 -12.073 -40.6122 25 4 0 805 2 3 3
Y-b 0.0 0.0 -11.1294 -11.1294 28 5 0 650 0 2 4
Y-c -4.7127 -17.6505 -9.0419 -31.4051 23 1 0 680 2 3 3
Y-d -75.9836 -58.0563 -373.108 -507.1478 113 28 6 16106 5 25 26
Y-k 0.0 -14.3493 -3.0947 -17.444 10 2 0 339 1 6 9
Y-p 0.0 0.0 -1.9789 -1.9789 5 0 0 87 0 5 4
Z-a -89.7778 -58.8728 -403.849 -552.4997 110 33 6 16707 4 25 27
Z-b -6.6261 -19.9691 -11.0872 -37.6824 24 3 0 773 2 3 3
Z-c 0.0 0.0 -12.3095 -12.3095 27 0 0 487 0 2 4
Z-d -3.4928 -18.9445 -8.9868 -31.4241 24 1 0 624 2 4 3
Z-o 0.0 -6.9506 -8.1544 -15.1051 22 1 0 633 0 9 7
Z-p 0.0 0.0 -0.7709 -0.7709 5 0 0 76 0 5 6
a-b -102.7521 -57.756 -408.818 -569.326 113 39 6 16835 5 25 27
a-c -5.2586 -18.7015 -9.1307 -33.0907 24 2 0 693 2 3 3
a-d 0.0 0.0 -13.0331 -13.0331 28 0 0 575 0 2 4
a-n -3.476 6.6272 -9.2975 -6.1462 24 2 0 615 0 9 7
a-o 0.0 0.0 -0.0948 -0.0948 6 0 0 33 0 2 6
b-c -90.3825 -59.8919 -364.688 -514.9624 114 29 6 16032 5 26 26
b-d -5.7626 -20.4143 -8.1052 -34.282 24 4 0 721 2 3 3
b-g 0.0 -12.8968 -7.6695 -20.5663 31 2 1 794 0 9 12
b-m 0.0 0.0 -0.5596 -0.5596 3 0 0 65 0 4 4
b-n 0.0 -5.5706 -1.8581 -7.4287 6 0 0 181 1 7 7
b-s 0.0 3.6964 -19.0432 -15.3468 31 1 3 1092 0 10 13
c-d -85.3409 -55.2894 -371.56 -512.1903 109 29 6 15989 5 25 27
c-l 0.0 0.0 -0.0014 -0.0014 2 0 0 3 0 2 2
c-m -5.229 -14.762 6.232 -13.759 19 15 0 830 2 9 11
d-l -17.2085 61.7221 14.2897 58.8033 24 19 0 1721 0 9 11
e-f -92.442 -51.6404 -370.459 -514.5414 113 33 6 16183 5 25 26
e-g -3.7826 -19.597 -9.1155 -32.4951 23 3 0 705 2 3 3
e-h 0.0 0.0 -14.086 -14.086 28 0 0 555 0 2 4
e-i -6.7802 -19.0095 -8.1231 -33.9129 24 2 0 710 2 3 3
e-j -98.81 -59.0542 -396.273 -554.1372 113 34 6 16610 5 25 26
e-u 0.0 0.0 -0.0009 -0.0009 2 0 0 2 0 2 1
e-v -10.3273 49.5556 -23.7474 15.4809 23 13 0 1414 0 9 11
f-g -93.2274 -61.0562 -403.001 -557.2846 114 40 6 16786 5 26 26
f-h -7.5008 -14.3539 -6.8059 -28.6605 24 2 0 662 2 3 3
f-i 0.0 0.0 -15.0623 -15.0623 26 0 0 557 0 2 4
f-j -9.1793 -21.237 -10.0211 -40.4374 23 4 0 727 2 3 3
f-t 0.0 0.0 -0.694 -0.694 3 0 0 69 0 4 4
f-u -5.418 -14.5429 1.31 -18.6509 19 12 0 775 2 9 11
g-h -84.89 -63.526 -387.302 -535.718 113 29 6 16290 5 25 26
g-i -8.7228 -20.734 -10.4694 -39.9261 23 3 0 706 2 3 3
g-j 0.0 0.0 -14.3739 -14.3739 28 0 0 550 0 2 4
g-s 0.0 5.5583 -8.8162 -3.2578 23 1 0 492 0 7 7
g-t 0.0 -5.5639 -1.6575 -7.2215 6 0 0 170 0 7 7
h-i -97.8807 -55.337 -413.265 -566.4828 111 37 6 16821 5 26 27
h-j -6.7177 -19.7805 -7.8466 -34.3448 25 3 0 765 2 3 3
h-r -9.0891 0.0 -4.2646 -13.3537 22 2 0 480 0 8 7
h-s 0.0 0.0 -0.0706 -0.0706 6 0 0 29 0 2 6
i-j -94.3727 -61.6637 -385.095 -541.1314 112 33 6 16270 5 25 26
i-q 0.0 0.0 -1.3048 -1.3048 5 0 0 74 0 5 4
i-r 0.0 0.0 -0.4792 -0.4792 5 0 0 66 0 4 6
j-q 0.0 -13.6029 -4.746 -18.3489 10 2 0 293 1 6 9
k-l -83.5038 -55.3358 -379.112 -517.9515 112 30 6 16111 5 25 27
k-m -5.3572 -19.4101 -8.7775 -33.5449 23 2 0 714 2 3 3
k-n 0.0 0.0 -13.2618 -13.2618 27 0 0 541 0 2 4
k-o -5.5941 -18.5324 -8.5275 -32.6539 23 2 0 675 2 3 3
k-p -88.6051 -56.3029 -385.509 -530.417 113 37 6 16416 5 26 26
l-m -94.6034 -59.1744 -408.972 -562.7498 114 36 6 16949 5 26 27
l-n -8.6324 -21.2341 -10.2394 -40.1059 23 4 0 721 2 3 3
l-o 0.0 0.0 -13.8872 -13.8872 28 0 0 543 0 2 4
l-p -8.2605 -20.9689 -6.2964 -35.5257 25 4 0 700 2 3 3
m-n -101.0322 -56.8204 -398.68 -556.5326 113 38 6 16591 5 26 27
m-o -8.1044 -20.7345 -10.7661 -39.605 24 4 0 738 2 3 3
m-p 0.0 0.0 -14.3172 -14.3172 28 0 0 551 0 2 4
m-s 0.0 -9.1364 -13.1858 -22.3222 32 2 0 837 2 10 12
n-o -79.7582 -55.4746 -349.315 -484.5478 110 33 6 15788 4 25 26
n-p -3.5091 -18.1675 -9.3366 -31.0132 24 1 0 655 2 3 3
o-p -86.7096 -59.219 -369.588 -515.5166 110 29 6 16081 5 25 26
q-r -101.5005 -58.5485 -398.389 -558.4381 125 37 6 16769 5 26 26
q-s -4.0562 -18.3861 -9.4706 -31.9128 24 1 0 690 2 3 3
q-t 0.0 0.0 -14.5311 -14.5311 28 0 0 577 0 2 4
q-u -4.0385 -18.2874 -9.4348 -31.7607 24 1 0 676 2 3 3
q-v -93.0937 -57.6131 -379.819 -530.5258 113 36 6 16331 5 26 26
r-s -86.0842 -59.7432 -368.284 -514.1114 122 25 6 16057 5 25 26
r-t -4.4472 -19.5878 -9.3211 -33.3562 25 3 0 726 2 3 3
r-u 0.0 0.0 -13.253 -13.253 28 0 0 538 0 2 4
r-v -4.9803 -20.5845 -7.5735 -33.1383 25 4 0 710 2 3 3
s-t -97.032 -54.3491 -399.453 -550.8341 112 34 6 16548 5 26 27
s-u -6.5313 -20.5134 -11.0313 -38.0759 26 4 0 763 2 3 3
s-v 0.0 0.0 -13.4656 -13.4656 28 0 0 566 0 2 4
t-u -95.3926 -60.2479 -359.383 -515.0235 113 32 6 16137 5 26 26
t-v -9.4215 -21.139 -10.6751 -41.2356 24 4 0 717 2 3 3
u-v -87.1213 -54.4489 -367.393 -508.9631 110 28 6 16118 5 25 26