3OEE
structure of four mutant forms of yeast f1 atpase: alpha-f405s
Total interactions analyzed 351
Total true interactions 59
Strongest Interaction Chains K-N
Int. Res. 194
Norm. En. per Res. -3.2593
Hub Node A(5)
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 -0.0191 -0.0191 2 0 0 12 0 0 0
A-D -111.4874 -55.4361 -544.002 -710.9254 247 23 11 22960 6 60 75
A-E -94.618 7.2737 -448.503 -535.8473 203 23 9 19643 1 67 67
A-G -4.4846 -2.7211 -102.18 -109.3857 71 2 3 4707 1 23 13
A-I 0.0 0.0 -0.0412 -0.0412 5 0 0 18 0 0 0
B-E -71.3264 -48.6502 -486.824 -606.8007 201 27 10 19426 3 46 55
B-F -84.0533 -32.1234 -565.047 -681.2236 244 27 12 23959 8 78 71
B-G -4.685 -29.3909 -32.4323 -66.5082 55 3 0 2067 2 13 5
B-N -13.5385 -2.9319 -65.3862 -81.8565 49 2 0 3030 1 23 23
C-D -85.1098 20.69 -521.56 -585.9798 247 28 12 22650 3 73 69
C-F -77.8114 -89.6245 -526.053 -693.4889 237 24 11 22276 6 60 76
C-G -13.5374 46.6401 -46.092 -12.9893 51 1 0 2171 0 15 13
C-I 0.0 0.0 -0.6113 -0.6113 10 0 0 105 0 1 3
D-F 0.0 0.0 -0.2613 -0.2613 5 0 0 78 0 0 0
D-G -18.5913 -32.7078 -77.5785 -128.8776 72 2 5 4214 5 23 18
D-I 0.0 6.8067 -0.0155 6.7912 3 0 0 5 0 1 3
E-G -14.7913 -40.255 -99.2123 -154.2586 59 3 2 4416 2 12 4
E-K -12.0107 -6.9065 -49.9094 -68.8267 41 4 0 2100 0 26 25
E-N -32.5987 -41.6488 -48.6867 -122.9341 61 7 0 2683 3 34 38
E-T 0.0 -10.3664 3 GLU504T, LYS40E, LYS45E
F-G -21.9949 -62.7598 -97.8114 -182.5661 79 7 4 4931 3 29 17
G-H -20.6551 -7.6323 -253.017 -281.3045 97 16 8 10175 0 23 21
G-I -46.1006 -0.2824 -255.347 -301.73 98 15 16 10341 1 12 13
H-I -10.5972 -14.6065 -97.8907 -123.0944 69 9 11 4848 2 11 7
J-K 0.0 0.0 -0.0238 -0.0238 3 0 0 16 0 0 0
J-L 0.0 0.0 -0.0006 -0.0006 2 0 0 2 0 1 0
J-M -76.3681 -51.7489 -542.026 -670.143 248 19 8 22613 7 59 78
J-N -92.5877 17.3478 -482.389 -557.6289 211 26 8 20470 4 70 70
J-P -5.6447 -28.6143 -62.3135 -96.5725 66 2 2 3559 3 22 13
K-N -100.5244 -47.2316 -484.539 -632.295 194 37 12 19082 3 46 53
K-O -104.0981 -56.6997 -571.209 -732.0068 249 36 14 24265 7 81 69
K-P -4.5355 -35.7985 -36.72 -77.0539 57 2 0 2208 2 14 7
K-T 0.0 -5.1416 2 ASP124K, LYS493T
K-X -18.0439 14.7178 7 ASN28K, ASP436X, ASP465X, GLU29K, GLU464X, LYS430X, LYS91K
L-M -93.3725 4.0843 -516.535 -605.8231 255 28 11 22797 4 79 73
L-O -75.9815 -89.8659 -521.511 -687.3583 244 22 13 22172 8 57 71
L-P -11.6825 38.5269 -47.184 -20.3396 51 2 0 2289 1 12 7
M-O 0.0 0.0 -2.8961 -2.8961 7 0 0 372 0 0 3
M-P -4.6176 -14.5664 -92.0016 -111.1857 75 2 4 4599 1 27 24
M-R 0.0 0.0 -0.0199 -0.0199 2 0 0 11 0 1 3
N-P -19.8578 -53.555 -101.963 -175.3757 60 5 3 4689 2 15 5
O-P -6.2121 -5.5707 -67.0571 -78.8399 74 0 4 3725 0 26 13
O-X -11.3321 1.0522 4 ALA177X, LYS176X, LYS40O, LYS75O
P-Q -7.7738 -2.0538 -146.577 -156.4045 79 12 7 6410 0 15 18
P-R -14.7193 0.0 -87.4745 -102.1938 65 7 13 4571 0 4 7
Q-R 0.0 0.0 -23.1865 -23.1865 45 0 8 1615 0 4 3
S-V -104.1244 -80.0705 39 ARG173S, ARG212S, ARG274V, ARG281S, ARG356V, ARG82S, ASN35V, ASN57V, ASP172S, ASP288V, ASP330V, ASP352V, ASP38S, ASP400V, ASP81S, GLN174S, GLN217S, GLN407S, GLU126V, GLU240S, GLU294V, GLU357S, GLU376V, GLU56V, GLU86S, GLU88S, HIS118V, HIS328V, HIS53V, ILE33V, LYS152V, LYS211S, LYS354V, LYS361S, LYS382V, LYS85S, SER277V, THR332V, VAL36S
S-W -65.7774 11.5115 32 ALA51S, ARG130S, ARG141S, ARG142S, ARG166S, ARG190W, ARG192W, ARG199W, ARG375S, ARG72W, ASN195W, ASN47S, ASP196W, ASP22W, ASP299S, ASP349S, ASP65W, GLN50S, GLU193W, GLU224W, GLU267W, GLU309S, GLU52S, GLU68W, GLU69S, GLY69W, ILE138S, ILE347S, LEU68S, LYS134S, THR348S, VAL16W
S-Y -6.0169 -8.5052 7 ARG259Y, ARG293S, ASP335S, GLU266Y, GLU294S, GLU7Y, SER337S
T-W -68.1093 -48.8917 25 ARG173T, ARG212T, ARG274W, ARG42T, ARG82T, ASN35W, ASN57W, ASP330W, ASP38T, ASP81T, GLN282T, GLU126W, GLU240T, GLU294W, GLU56W, GLU86T, HIS118W, HIS328W, HIS53W, LYS152W, LYS211T, LYS85T, PHE326W, THR287W, VAL36T
T-X -84.7739 -18.4552 39 ALA51T, ARG130T, ARG141T, ARG142T, ARG166T, ARG190X, ARG192X, ARG199X, ARG293T, ARG375T, ARG72X, ASN195X, ASN223X, ASP196X, ASP22X, ASP299T, ASP316X, ASP319X, ASP349T, ASP65X, GLU105X, GLU193X, GLU224X, GLU267X, GLU309T, GLU401T, GLU52T, GLU68X, GLU69T, HIS455X, ILE345T, ILE347T, LEU46T, LEU68T, LEU70X, LYS134T, LYS317T, THR191X, VAL16X
T-Y 0.0 -23.9426 3 ARG257Y, ASP335T, GLU294T
U-V -59.5917 2.9235 36 ALA51U, ARG130U, ARG141U, ARG142U, ARG166U, ARG190V, ARG192V, ARG199V, ARG375U, ARG72V, ASP196V, ASP22V, ASP299U, ASP349U, ASP394V, ASP411U, ASP65V, GLU105V, GLU193V, GLU224V, GLU267V, GLU309U, GLU52U, GLU68V, GLU69U, GLY69V, ILE347U, LEU68U, LEU70V, LYS134U, LYS317U, PRO70U, SER346U, THR348U, TYR302U, VAL16V
U-X -91.6961 -80.6648 35 ARG173U, ARG212U, ARG274X, ARG288U, ARG364U, ARG82U, ASN57X, ASP120X, ASP288X, ASP330X, ASP352X, ASP38U, ASP81U, GLN282U, GLU126X, GLU240U, GLU294X, GLU29X, GLU357U, GLU56X, GLU86U, GLY273X, HIS118X, HIS328X, HIS53X, LEU351X, LYS152X, LYS211U, LYS354X, LYS382X, LYS85U, THR287X, TYR360U, TYR368X, VAL36U
U-Y -12.9301 12.9585 12 ALA295U, ARG293U, ASP112Y, ASP269Y, ASP335U, ASP411U, ASP80Y, GLU294U, GLU5Y, LYS113Y, LYS4Y, LYS81Y
V-Y -9.4662 -29.6239 9 ASP315V, ASP316V, ASP386V, ASP394V, GLU395V, LYS11Y, LYS18Y, LYS4Y, LYS81Y
W-Y -8.542 -12.5519 9 ARG257Y, ARG259Y, ASP238Y, ASP316W, ASP319W, ASP386W, LYS24Y, THR264Y, VAL279W
X-Y -9.7189 -51.5028 10 ALA389X, ARG120Y, ARG9Y, ASN243Y, ASP386X, ASP394X, GLU395X, GLU398X, HIS88Y, LEU83Y
Y-1 -12.1103 0.0 4 ASN131Y, ASP148Y, PHE431, SER91