3MQT
crystal structure of a mandelate racemase/muconate lactonizing enzyme from shewanella pealeana
Total interactions analyzed 276
Total true interactions 59
Strongest Interaction Chains A-C
Int. Res. 107
Norm. En. per Res. -5.9712
Hub Node C(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 -22.1219 -20.1547 -135.833 -178.1095 68 15 0 5247 3 39 35
A-C -107.0034 -312.3736 -219.543 -638.9201 107 19 5 9464 24 49 52
A-D -21.8903 -73.1318 -336.146 -431.1681 163 5 4 14533 4 78 72
A-F -21.4961 -41.018 -130.715 -193.2291 71 12 0 5274 3 40 38
B-D -82.5717 -277.0025 -236.858 -596.4322 110 15 5 9466 24 50 51
B-E -27.9546 -20.5345 -129.518 -178.0071 67 13 0 5172 3 39 33
B-G -7.108 -76.1621 -337.358 -420.6281 161 7 4 14486 4 77 72
C-D -18.3668 -28.6041 -124.808 -171.7789 69 11 0 5248 2 39 36
C-F -14.9465 -72.1777 -347.354 -434.4782 164 6 4 14842 4 78 73
C-H -13.3493 -17.6427 -122.633 -153.625 68 12 0 5247 3 39 34
C-K 0.0 0.0 -0.0102 -0.0102 6 0 0 9 0 2 5
C-L 0.0 35.1595 -19.07 16.0895 26 0 0 1053 0 16 25
D-G -19.4456 -28.8945 -140.102 -188.4421 68 13 0 5287 3 39 32
D-K 0.0 35.4787 -21.2901 14.1886 29 0 0 1069 0 15 25
E-F -19.4662 -26.101 -118.632 -164.1992 69 14 0 5148 3 39 34
E-G -86.6042 -291.8385 -222.148 -600.5907 107 17 5 9324 24 48 51
E-H -2.3885 -67.7049 -355.139 -425.2324 165 4 4 15118 4 77 75
F-H -85.2628 -285.8145 -238.406 -609.4833 111 17 5 9455 22 49 51
G-H -17.2772 -34.9079 -114.594 -166.7791 68 12 0 5145 3 39 34
G-V 0.0 34.6782 6 GLU151G, GLU151V, GLU154G, GLU154V, GLU192G, GLU192V
H-L 0.0 0.0 -0.0037 -0.0037 4 0 0 6 0 2 6
H-W 0.0 36.0382 6 GLU151H, GLU151W, GLU154H, GLU154W, GLU192H, GLU192W
I-J -16.6124 -26.8719 -131.708 -175.1923 67 10 0 5096 3 37 32
I-K -70.5777 -272.7458 -238.328 -581.6516 109 12 5 9419 21 48 51
I-L -4.2082 -80.3794 -342.288 -426.8755 162 7 4 14827 4 78 72
I-N -13.1236 -25.4245 -136.282 -174.8301 69 10 0 5081 3 40 30
I-Q -3.3003 12.1227 -32.2923 -23.4699 39 0 1 1978 1 27 35
J-L -85.8837 -280.6857 -239.438 -606.0074 111 18 5 9478 24 49 51
J-M -7.1096 -26.4865 -131.246 -164.8421 69 14 0 5018 3 38 34
J-S -4.1581 16.8083 10 ASP200J, ASP200S, GLU192J, GLU192S, GLU195J, GLU195S, LYS157J, LYS157S, LYS164J, LYS164S
J-W 0.0 -82.0242 22 ARG264J, ARG264W, ARG95J, ARG95W, ASP239J, ASP239W, GLU24J, GLU24W, GLU266J, GLU266W, GLU269J, GLU269W, GLU48W, GLU57J, GLU59J, GLU59W, HIS238J, HIS238W, LYS273J, LYS273W, LYS90J, LYS90W
K-L -9.8435 -19.631 -136.839 -166.3135 68 13 0 5252 3 39 34
K-N -17.2628 -71.6325 -321.21 -410.1053 159 5 4 14355 4 77 74
K-V -16.7548 -26.3598 16 ARG218K, ARG222K, ARG254V, ASN252V, ASP213K, ASP228V, ASP239K, ASP240K, GLN215K, GLU300V, GLU331V, HIS301V, HIS302V, LYS216K, LYS246K, SER277V
L-W -15.6346 -29.1372 14 ARG218W, ARG222W, ARG254L, ASN252L, ASP213W, ASP228L, ASP239W, ASP240W, GLU300L, GLU331L, HIS301L, HIS302L, LYS216W, LYS246W
M-N -19.4234 -23.5488 -133.815 -176.7872 70 13 0 5134 2 37 32
M-V -2.4844 -70.0061 24 ARG264M, ARG264V, ARG285V, ARG95M, ARG95V, ASP239M, ASP239V, GLU24M, GLU24V, GLU266M, GLU266V, GLU269M, GLU269V, GLU48M, GLU57V, GLU59M, GLU59V, HIS238M, HIS238V, LYS273M, LYS273V, LYS90M, LYS90V, TRP91M
M-W -76.8774 -260.6493 27 ALA80M, ALA80W, ARG264M, ARG264W, ARG294M, ARG294W, ARG79M, ARG79W, ASN83W, ASP297M, ASP297W, ASP74M, ASP74W, ASP87M, GLN129M, GLU300M, GLU300W, GLU77M, GLU77W, GLY126M, GLY126W, HIS301M, HIS301W, HIS328M, HIS328W, LYS123M, LYS123W
M-X 0.0 15.1612 12 ASP200M, ASP200X, GLU165M, GLU165X, GLU192M, GLU192X, GLU195M, GLU195X, LYS157M, LYS157X, LYS164M, LYS164X
N-Q 0.0 0.0 -0.0644 -0.0644 11 0 0 19 0 7 9
N-R 0.0 26.5504 11 ASP200N, ASP200R, GLU154R, GLU192N, GLU192R, GLU195N, GLU195R, LYS157N, LYS157R, LYS164N, LYS164R
N-V -51.9488 -230.3187 24 ALA80N, ALA80V, ARG264N, ARG264V, ARG294N, ARG294V, ARG79N, ARG79V, ASP297N, ASP297V, ASP74N, ASP74V, GLU300N, GLU300V, GLU77N, GLU77V, GLY126N, GLY126V, HIS301N, HIS301V, HIS328N, HIS328V, LYS123N, LYS123V
O-P -20.1716 -22.2069 -133.898 -176.2765 67 10 0 5186 2 38 32
O-Q -62.7822 -272.3716 -232.894 -568.0478 112 23 5 9523 23 48 50
O-S 0.0 -77.3517 24 ARG264O, ARG264S, ARG95O, ARG95S, ASP239O, ASP239S, GLU24O, GLU24S, GLU266O, GLU266S, GLU269O, GLU269S, GLU48O, GLU48S, GLU57O, GLU57S, GLU59O, GLU59S, HIS238O, HIS238S, LYS273O, LYS273S, LYS90O, LYS90S
O-U -14.9382 -25.794 13 ARG218U, ARG222U, ARG254O, ASP213U, ASP239U, ASP240U, GLU225O, GLU300O, GLU331O, HIS301O, HIS302O, LYS216U, LYS246U
P-S -77.465 -259.9201 25 ALA80P, ALA80S, ARG264P, ARG264S, ARG294P, ARG294S, ARG79P, ARG79S, ASP297P, ASP297S, ASP74P, ASP74S, ASP87S, GLU300P, GLU300S, GLU77P, GLU77S, GLY126P, GLY126S, HIS301P, HIS301S, HIS328P, HIS328S, LYS123P, LYS123S
P-T -22.9187 -16.1813 13 ARG218P, ARG222P, ARG254T, ASN252T, ASP213P, ASP239P, ASP240P, GLU300T, GLU331T, HIS301T, HIS302T, LYS216P, LYS246P
P-X -4.893 -81.833 22 ARG264P, ARG264X, ARG95P, ARG95X, ASP239P, ASP239X, GLU24P, GLU266P, GLU266X, GLU269P, GLU269X, GLU48P, GLU48X, GLU55P, GLU57X, GLU59X, HIS238P, HIS238X, LYS273P, LYS273X, LYS90P, LYS90X
Q-R -13.8359 -18.8579 14 ARG218Q, ARG222Q, ARG254R, ASN252R, ASP213Q, ASP239Q, ASP240Q, GLU225R, GLU300R, GLU331R, HIS301R, HIS302R, LYS216Q, LYS246Q
Q-S -21.6697 -22.7031 13 ARG218S, ARG222S, ARG254Q, ASP213S, ASP239S, ASP240S, GLU225Q, GLU300Q, GLU331Q, HIS301Q, HIS302Q, LYS216S, LYS246S
Q-U -19.5061 -82.9297 24 ARG264Q, ARG264U, ARG95Q, ARG95U, ASP239Q, ASP239U, GLU24U, GLU266Q, GLU266U, GLU269Q, GLU269U, GLU48Q, GLU48U, GLU55Q, GLU55U, GLU57U, GLU59Q, HIS238Q, HIS238U, LYS273Q, LYS273U, LYS90Q, LYS90U, TYR86U
R-T -24.0232 -73.8321 24 ARG264R, ARG264T, ARG95R, ARG95T, ASN25R, ASP239R, ASP239T, GLU24R, GLU24T, GLU266R, GLU266T, GLU269R, GLU269T, GLU48R, GLU57T, GLU59R, GLU59T, HIS238R, HIS238T, LYS273R, LYS273T, LYS90R, LYS90T, TYR86T
R-U -73.837 -286.505 25 ALA80R, ALA80U, ARG264R, ARG264U, ARG294R, ARG294U, ARG79R, ARG79U, ASP297R, ASP297U, ASP74R, ASP74U, ASP87U, GLU300R, GLU300U, GLU77R, GLU77U, GLY126R, GLY126U, HIS301R, HIS301U, HIS328R, HIS328U, LYS123R, LYS123U
R-X -13.994 -24.2977 14 ARG218R, ARG222R, ARG254X, ASN252X, ASP213R, ASP239R, ASP240R, GLU225X, GLU300X, GLU331X, HIS301X, HIS302X, LYS216R, LYS246R
S-X -6.4057 -17.8422 13 ARG218X, ARG222X, ARG254S, ASP213X, ASP239X, ASP240X, GLU225S, GLU300S, GLU331S, HIS301S, HIS302S, LYS216X, LYS246X
T-U -17.0744 -24.9532 14 ARG218T, ARG222T, ARG254U, ASN252U, ASP213T, ASP239T, ASP240T, GLU225U, GLU300U, GLU331U, HIS301U, HIS302U, LYS216T, LYS246T
T-X -92.2305 -265.4345 29 ALA128X, ALA80T, ALA80X, ARG264T, ARG264X, ARG294T, ARG294X, ARG79T, ARG79X, ASN83T, ASP297T, ASP297X, ASP74T, ASP74X, ASP87T, ASP87X, GLN129X, GLU300T, GLU300X, GLU77T, GLU77X, GLY126T, GLY126X, HIS301T, HIS301X, HIS328T, HIS328X, LYS123T, LYS123X
V-W -15.7925 -14.8308 13 ARG218V, ARG254W, ASP213V, ASP239V, ASP240V, GLN215V, GLU300W, GLU331W, HIS301W, HIS302W, LYS216V, LYS246V, SER277W