3OAA
structure of the e.coli f1-atp synthase inhibited by subunit epsilon
Total interactions analyzed 496
Total true interactions 97
Strongest Interaction Chains O-P
Int. Res. 223
Norm. En. per Res. -3.397
Hub Node A(10)
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 0.0 0.0 -0.0144 -0.0144 2 0 0 11 0 0 0
A-C 0.0 0.0 -0.0081 -0.0081 2 0 0 10 0 1 0
A-D -78.3211 -26.5548 -343.049 -447.9249 190 32 10 16194 3 39 39
A-E -75.192 -5.1317 -409.761 -490.0847 182 21 7 18087 2 59 62
A-G 0.0 -23.109 -72.5121 -95.6211 66 2 4 3894 2 20 9
A-H 0.0 7.043 -32.8878 -25.8448 19 0 1 1093 0 1 3
B-E -50.2326 -25.172 -355.389 -430.7937 199 16 8 16198 5 40 44
B-F -90.5288 -42.154 -617.905 -750.5878 261 60 15 26814 4 74 72
B-G 0.0 -9.3018 -19.1349 -28.4367 34 0 1 1433 0 10 4
B-H 0.0 -2.0696 -0.0552 -2.1248 4 0 0 27 0 4 0
B-J 0.0 9.9924 -2.7267 7.2657 12 0 0 217 0 16 6
B-N 0.0 0.0 -0.2633 -0.2633 6 0 0 48 0 8 6
C-D -56.8141 -3.7452 -559.536 -620.0953 257 31 11 25188 0 75 80
C-F -59.6365 -12.6653 -436.82 -509.1218 234 21 11 20094 4 44 57
C-G -8.4411 -12.4379 -28.1261 -49.005 42 1 0 1309 1 9 8
C-H 0.0 -6.4748 -53.4381 -59.9129 46 2 5 2492 0 16 12
D-G 0.0 -2.1691 -18.1233 -20.2924 24 0 0 1111 0 9 6
D-H -5.9655 4.2966 -62.6626 -64.3316 33 4 6 3139 2 6 9
E-F 0.0 0.0 -0.0067 -0.0067 2 0 0 5 0 0 0
E-G -2.9081 -48.0411 -94.7986 -145.7479 69 9 1 5095 3 15 6
E-U 0.0 -6.8504 10 ASP380E, ASP380U, ASP436E, ASP436U, GLU381E, GLU381U, GLU384E, GLU384U, HIS437E, HIS437U
E-W 0.0 -6.5541 9 ARG32W, ARG42W, ASP36W, GLU169E, GLU454E, HIS170E, LYS201W, LYS457E, LYS458E
E-X 0.0 -15.3469 2 GLU408E, HIS5X
F-G -4.3147 0.0 -81.2473 -85.562 83 2 2 4328 0 16 8
F-H -17.1447 -1.9112 -94.6153 -113.6712 46 5 4 4250 0 16 12
F-J 0.0 0.0 -0.1129 -0.1129 7 0 0 36 0 12 9
F-N 0.0 3.2761 -19.6143 -16.3382 12 1 0 954 0 4 10
G-H -41.9049 -74.5434 -643.86 -760.3083 225 26 30 27979 8 60 62
G-K 0.0 0.0 -0.0007 -0.0007 2 0 0 2 0 3 6
G-O -10.8965 -6.4917 -71.0115 -88.3996 54 3 0 2838 0 10 9
G-P 0.0 0.0 -0.0724 -0.0724 3 0 0 28 0 8 7
G-U -4.5187 -5.099 13 ARG32G, ARG42G, ASP195G, ASP36G, ASP422U, GLU169U, GLU454U, HIS170U, LYS201G, LYS421U, LYS457U, LYS458U, SER171U
H-O 0.0 0.0 -0.0947 -0.0947 3 0 0 29 0 8 7
H-U 0.0 -15.4479 2 GLU408U, HIS5H
I-J 0.0 0.0 -0.0218 -0.0218 2 0 0 14 0 0 0
I-K 0.0 0.0 -0.0057 -0.0057 2 0 0 9 0 1 0
I-L -72.7892 -32.1349 -327.745 -432.6691 186 19 10 15536 2 38 38
I-M -94.1579 -12.0137 -440.786 -546.9576 182 36 9 18991 2 59 63
I-O 0.0 -24.0528 -87.7837 -111.8365 69 15 6 4565 2 20 9
I-P 0.0 6.768 -21.7092 -14.9412 17 1 1 879 0 0 3
J-M -58.8185 -25.8599 -369.344 -454.0224 197 25 9 16505 5 41 44
J-N -99.9001 -36.7736 -595.622 -732.2957 260 58 15 25968 4 73 69
J-O 0.0 -11.3619 -20.3835 -31.7453 34 0 1 1440 2 10 4
J-P 0.0 -2.2904 -0.138 -2.4284 4 0 0 47 0 3 0
K-L -54.4613 -6.8528 -536.918 -598.2321 257 38 11 25311 0 77 80
K-N -64.8733 -12.6903 -442.798 -520.3615 234 20 11 20391 5 44 57
K-O 0.0 -9.543 -18.8061 -28.3491 39 0 0 1035 1 9 7
K-P -10.5489 -10.6096 -56.5582 -77.7166 45 3 4 2595 0 16 12
L-O 0.0 -2.1641 -20.5441 -22.7082 24 0 0 1188 0 9 6
L-P 0.0 6.8589 -74.5368 -67.6779 33 2 6 3356 2 6 9
M-N 0.0 0.0 -0.0071 -0.0071 2 0 0 5 0 0 0
M-O 0.0 -42.8152 -92.3341 -135.1493 67 12 1 5080 3 15 6
M-c 0.0 -8.5663 10 ASP380M, ASP380c, ASP436M, ASP436c, GLU381M, GLU381c, GLU384M, GLU384c, HIS437M, HIS437c
M-e 0.0 -9.6949 8 ARG42e, ASP36e, GLU169M, GLU454M, HIS170M, LYS201e, LYS457M, LYS458M
M-f 0.0 -18.4833 2 GLU408M, HIS5f
N-O -5.8574 0.0 -80.4827 -86.3401 81 2 3 4137 0 16 7
N-P -8.6211 -2.924 -78.1142 -89.6593 46 3 4 3935 0 15 12
N-R 0.0 13.1151 5 ARG235N, ASP236N, ASP478R, GLU124N, HIS479R
O-P -53.4269 -74.1117 -629.993 -757.5316 223 31 30 27752 8 60 61
O-c 0.0 -3.5923 11 ARG42O, ASP195O, ASP36O, ASP422c, GLU169c, GLU454c, HIS170c, LYS201O, LYS421c, LYS457c, LYS458c
P-c 0.0 -17.1392 2 GLU408c, HIS5P
Q-T -61.2386 -25.0673 23 ALA202Q, ARG210Q, ARG24T, ARG260T, ARG278Q, ASP20T, ASP316T, ASP36Q, ASP81Q, GLN333Q, GLN45T, GLU230Q, GLU273T, GLU280T, GLU84Q, GLY259T, GLY49T, HIS314T, LYS144T, LYS201Q, SER120T, THR304T, VAL34Q
Q-U -81.9665 -10.4494 32 ALA133Q, ARG139Q, ARG164Q, ARG182U, ARG184U, ARG376Q, ARG63U, ARG64U, ARG68Q, ASN210U, ASP14U, ASP289Q, ASP350Q, ASP46Q, ASP60U, GLN49Q, GLU130Q, GLU16U, GLU185U, GLU211U, GLU253U, GLU299Q, GLU51Q, GLU67Q, GLY43Q, GLY61U, ILE348Q, LEU44Q, LEU62U, LEU66Q, THR183U, VAL8U
Q-W 0.0 -19.9679 8 ARG7W, ASP141W, ASP336Q, ASP412Q, GLU275W, GLU284Q, LYS30W, LYS33W
Q-X 0.0 7.7183 2 ASP113X, ASP412Q
R-U -41.6291 -28.8066 21 ALA202R, ARG24U, ARG260U, ARG278R, ASP116R, ASP20U, ASP27U, ASP316U, ASP36R, ASP81R, GLN45U, GLU117U, GLU230R, GLU273U, GLU280U, GLU84R, GLY49U, HIS314U, LYS144U, LYS201R, VAL34R
R-V -89.329 -42.479 37 ARG139R, ARG164R, ARG182V, ARG184V, ARG283R, ARG376R, ARG63V, ARG64V, ARG68R, ASP14V, ASP289R, ASP302V, ASP305V, ASP350R, ASP46R, ASP60V, ASP69R, GLN49R, GLU130R, GLU185V, GLU211V, GLU253V, GLU299R, GLU51R, GLU67R, GLY379R, GLY43R, GLY61V, ILE348R, LEU66R, MET209V, PRO299V, SER295R, SER347R, THR183V, VAL409V, VAL8V
R-W 0.0 -8.3663 2 ASP336R, LYS266W
R-X 0.0 -2.0399 2 ASP336R, LYS135X
S-T -64.8845 -11.0556 35 ALA375T, ARG139S, ARG164S, ARG182T, ARG184T, ARG376S, ARG63T, ARG64T, ARG68S, ASP14T, ASP188T, ASP289S, ASP350S, ASP380T, ASP414S, ASP46S, ASP60T, ASP69S, GLN49S, GLU130S, GLU16T, GLU185T, GLU253T, GLU299S, GLU402S, GLU51S, GLU67S, GLY43S, GLY61T, LEU62T, LEU66S, LYS371T, SER347S, THR183T, VAL8T
S-V -70.4278 -20.835 33 ALA202S, ARG171S, ARG24V, ARG260V, ARG271S, ARG278S, ARG342V, ARG358V, ARG365S, ASP116S, ASP316V, ASP338V, ASP345V, ASP36S, ASP81S, GLN44V, GLN45V, GLU117V, GLU230S, GLU273V, GLU274V, GLU280V, GLU84S, GLY259V, GLY363S, GLY48V, GLY49V, HIS314V, LYS144V, LYS201S, LYS211S, SER263V, VAL34S
S-W -6.5518 -12.2648 6 ARG283S, ASP412S, GLU275W, GLU278W, GLU284S, LYS120W
S-X -7.7598 -7.1835 5 ASP415S, GLU402S, HIS104X, LYS123X, SER106X
T-W 0.0 -2.1955 2 ASP302T, LYS4W
T-X -6.5376 3.1481 5 ASP372T, GLU120X, GLU381T, HIS109X, LYS123X
U-W -13.3901 -55.5263 5 ARG268W, ASP302U, ASP305U, ASP372U, LYS247W
V-W -5.521 0.0 4 ALA375V, ASN252W, GLU381V, LEU86W
V-X -8.1097 -1.8868 7 ARG129X, ASP301V, ASP372V, GLU132X, GLU369V, ILE131X, LYS135X
W-X -48.7563 -86.6607 43 ALA44X, ALA97X, ARG129X, ARG220W, ARG221W, ARG37W, ARG84W, ARG85X, ARG93X, ASP111X, ASP113X, ASP141W, ASP81X, ASP83W, ASP90X, GLN135W, GLU120X, GLU12X, GLU147W, GLU208W, GLU224W, GLU259W, GLU29X, GLU5W, GLU70X, GLU91X, GLU96X, GLY85W, HIS109X, HIS54W, LEU145W, LEU206W, LYS135X, LYS136X, LYS153W, LYS18W, LYS30W, LYS50W, LYS98X, LYS9W, PRO40X, TYR114X, TYR205W
Y-b -71.6339 -27.5998 24 ALA202Y, ARG210Y, ARG24b, ARG260b, ARG278Y, ASP20b, ASP316b, ASP36Y, ASP81Y, GLN333Y, GLN44b, GLN45b, GLU117b, GLU230Y, GLU273b, GLU280b, GLU84Y, GLY259b, GLY49b, HIS314b, LYS201Y, SER120b, THR304b, VAL34Y
Y-c -72.7851 -35.2706 36 ALA133Y, ARG139Y, ARG164Y, ARG182c, ARG184c, ARG376Y, ARG63c, ARG64c, ARG68Y, ASN210c, ASP14c, ASP188c, ASP289Y, ASP350Y, ASP46Y, ASP60c, ASP69Y, ASP96c, GLN49Y, GLU130Y, GLU138Y, GLU16c, GLU185c, GLU211c, GLU253c, GLU299Y, GLU51Y, GLU67Y, GLY61c, HIS191c, ILE348Y, LEU44Y, LEU62c, LEU66Y, THR183c, VAL8c
Y-e -8.0287 -18.3558 10 ARG7e, ASP141e, ASP336Y, ASP412Y, GLN408Y, GLU275e, GLU284Y, LYS18e, LYS30e, LYS33e
Y-f -3.854 8.0269 3 ASP113f, ASP412Y, SER411Y
Z-c -51.6627 -32.1099 22 ALA202Z, ARG24c, ARG260c, ARG278Z, ASP116Z, ASP20c, ASP27c, ASP316c, ASP36Z, ASP81Z, GLN45c, GLU117c, GLU230Z, GLU273c, GLU280c, GLU84Z, GLY259c, GLY49c, HIS314c, LYS144c, LYS201Z, VAL34Z
Z-d -67.8984 -36.0607 33 ARG139Z, ARG164Z, ARG182d, ARG184d, ARG283Z, ARG376Z, ARG63d, ARG64d, ARG68Z, ASP14d, ASP289Z, ASP302d, ASP305d, ASP350Z, ASP46Z, ASP60d, GLN49Z, GLU130Z, GLU185d, GLU211d, GLU253d, GLU299Z, GLU51Z, GLU67Z, GLY379Z, GLY43Z, GLY61d, ILE348Z, LEU66Z, SER347Z, THR183d, VAL409d, VAL8d
Z-e 0.0 -9.8583 2 ASP336Z, LYS266e
Z-f 0.0 -2.1561 2 ASP336Z, LYS135f
a-b -59.4069 -4.2874 35 ALA375b, ARG139a, ARG164a, ARG182b, ARG184b, ARG376a, ARG63b, ARG64b, ARG68a, ASP14b, ASP188b, ASP289a, ASP350a, ASP380b, ASP414a, ASP46a, ASP60b, ASP69a, GLN49a, GLU130a, GLU16b, GLU185b, GLU253b, GLU299a, GLU402a, GLU51a, GLU67a, LEU62b, LEU66a, LYS371b, MET209b, SER295a, SER347a, THR183b, VAL8b
a-d -74.1401 -11.6966 33 ALA362a, ARG171a, ARG24d, ARG260d, ARG271a, ARG278a, ARG342d, ARG358d, ARG365a, ASP116a, ASP316d, ASP338d, ASP36a, ASP81a, GLN172a, GLN44d, GLN45d, GLU117d, GLU230a, GLU273d, GLU274d, GLU280d, GLU84a, GLY259d, GLY48d, GLY49d, HIS314d, LYS144d, LYS201a, SER263d, SER362d, THR340d, VAL34a
a-e 0.0 -11.8763 6 ARG283a, ASP412a, GLU275e, GLU278e, GLU284a, LYS120e
a-f -14.2927 -11.0507 7 ASP412a, ASP415a, GLU402a, HIS104f, HIS109f, LYS123f, SER106f
b-e 0.0 -2.0444 2 ASP302b, LYS4e
b-f -5.2816 10.194 6 ASP111f, ASP372b, GLU120f, GLU381b, HIS109f, LYS123f
c-e -9.6916 -50.92 5 ARG268e, ASP302c, ASP305c, ASP372c, LYS247e
d-e -3.5926 0.0 2 GLU381d, LEU86e
d-f -8.2968 -0.823 7 ARG129f, ASP301d, ASP372d, GLU132f, GLU369d, ILE131f, LYS135f
e-f -46.3037 -79.0734 42 ALA44f, ALA97f, ARG129f, ARG220e, ARG221e, ARG37e, ARG84e, ARG85f, ARG93f, ASP111f, ASP113f, ASP141e, ASP81f, ASP83e, ASP90f, GLN135e, GLU120f, GLU12f, GLU147e, GLU208e, GLU224e, GLU259e, GLU29f, GLU5e, GLU70f, GLU91f, GLU96f, GLY85e, HIS109f, HIS54e, LEU145e, LEU206e, LYS135f, LYS136f, LYS153e, LYS18e, LYS30e, LYS50e, LYS98f, LYS9e, PRO40f, TYR114f