3BFJ
crystal structure analysis of 1,3-propanediol oxidoreductase
Total interactions analyzed 190
Total true interactions 44
Strongest Interaction Chains I-R
Int. Res. 9
Norm. En. per Res. -4.5506
Hub Node A(6)
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 -17.5241 -18.6414 -122.821 -158.9865 64 3 4 5342 2 12 17
A-C 0.0 0.0 -0.0015 -0.0015 2 0 0 1 0 0 0
A-D -106.2151 -7.3918 -472.579 -586.1859 169 27 20 19241 0 24 21
A-F -14.682 6.0278 -112.354 -121.0081 66 5 4 5288 2 10 16
A-L 0.0 -4.3832 -29.2259 -33.6091 34 3 0 1507 2 19 20
A-O 0.0 0.0 -0.0085 -0.0085 4 0 0 9 0 0 2
B-D 0.0 0.0 -0.0018 -0.0018 2 0 0 1 0 0 0
B-O -95.4047 -10.0719 -484.52 -589.9967 166 20 21 19731 1 24 21
B-P 0.0 0.0 -0.0521 -0.0521 4 0 0 23 0 0 2
B-Q -20.3827 6.3404 -119.442 -133.4843 66 4 4 5287 1 11 16
C-D -16.5028 -27.1645 -108.47 -152.1373 67 4 4 5244 3 11 16
C-F -98.2703 -25.295 -480.922 -604.4873 171 30 20 19601 1 23 22
C-J -14.5316 7.1869 -111.015 -118.3597 63 6 4 5266 1 11 16
C-N 0.0 0.0 -0.0192 -0.0192 6 0 0 18 0 0 2
D-F 0.0 0.0 -0.3671 -0.3671 2 0 0 53 0 0 2
D-O -14.8514 6.3719 -120.944 -129.4236 61 4 4 5190 1 11 17
E-G -14.6905 -25.4054 -116.398 -156.4938 64 5 4 5272 2 12 16
E-I -115.2856 -18.4261 -482.146 -615.8577 170 15 20 19464 1 24 22
E-K -11.256 -31.3506 -117.605 -160.2116 66 8 4 5361 3 9 17
E-R 0.0 0.0 -0.0201 -0.0201 2 0 0 16 0 0 1
F-N -15.1844 6.8627 -119.649 -127.9707 62 3 4 5241 1 10 16
G-I 0.0 0.0 -0.0451 -0.0451 3 0 0 5 0 0 0
G-R -118.0063 -13.6413 -298.634 -430.2816 97 15 8 11161 3 7 10
G-T -14.5969 6.2789 7 ALA236T, ARG229T, ARG333T, ASP322G, GLU302G, GLU313T, LYS373G
H-I -17.6806 -23.911 -118.309 -159.9007 67 5 4 5442 3 11 17
H-K -89.338 -19.2693 -480.588 -589.1953 170 16 20 19588 1 23 21
H-L -23.3067 -23.6148 -122.01 -168.9315 65 7 4 5497 1 10 16
H-M 0.0 0.0 -0.02 -0.02 2 0 0 13 0 0 2
I-K 0.0 0.0 -0.0302 -0.0302 2 0 0 18 0 0 2
I-R -16.208 -24.7468 -0.0003 -40.9551 9 0 0 1 0 0 0
J-N -116.7779 -25.5036 -501.868 -644.1495 170 20 20 19973 3 24 22
J-P -14.0413 7.3803 -112.67 -119.331 63 3 4 5139 1 12 16
J-Q 0.0 0.0 -0.0122 -0.0122 4 0 0 12 0 0 2
K-L 0.0 0.0 -0.0095 -0.0095 2 0 0 1 0 0 0
K-M -18.9391 8.1357 -115.642 -126.4454 62 4 4 5231 1 10 17
L-M -115.6731 -21.7007 -478.137 -615.5108 173 16 20 19764 1 24 21
L-S -16.3368 -26.3158 9 ALA236S, ARG229S, ARG333S, ASN314S, ASP322L, GLU302L, GLU313S, GLY317L, LYS373L
M-T -16.1121 -25.608 7 ALA236M, ARG229M, ARG333M, ASP322T, GLU302T, GLU313M, LYS373T
N-Q -12.8673 -30.9673 -121.914 -165.7486 62 2 4 5299 2 11 16
O-P -15.8946 -26.1173 -117.331 -159.3429 64 5 4 5311 3 11 16
O-Q 0.0 0.0 -0.0118 -0.0118 2 0 0 1 0 0 0
P-Q -100.9597 -16.9189 -488.22 -606.0987 171 25 21 19842 1 24 22
R-S -20.6467 -27.0388 9 ALA236R, ARG229R, ARG333R, ASN314R, ASP322S, GLU302S, GLU313R, GLY317S, LYS373S
S-T -53.8879 -20.4559 16 ARG225S, ARG225T, ARG4S, ARG4T, ASN14S, ASN14T, ASP217S, ASP217T, GLU245S, GLU245T, PHE16S, PHE16T, PHE6S, PHE6T, TYR8S, TYR8T