3DFY
crystal structure of apo dipeptide epimerase from thermotoga maritima
Total interactions analyzed 120
Total true interactions 43
Strongest Interaction Chains C-D
Int. Res. 127
Norm. En. per Res. -3.862
Hub Node A(5)
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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 -60.5043 -14.5404 -367.222 -442.2667 128 13 2 13693 6 35 44
A-D -15.0194 25.9101 -97.2329 -86.3422 63 5 0 4085 2 33 34
A-E 0.0 0.0 -0.3456 -0.3456 5 0 0 61 0 0 1
A-G 0.0 19.3727 -193.062 -173.6893 96 1 8 8008 0 56 54
A-H -26.9895 33.2005 -99.5609 -93.3498 63 7 0 3983 2 34 33
B-C -25.3095 26.2102 -102.497 -101.5963 64 6 0 4199 2 32 34
B-D -6.513 8.907 -197.699 -195.305 99 3 6 8047 1 56 54
B-F 0.0 0.0 -1.4338 -1.4338 6 0 0 115 0 0 1
B-G -17.9468 33.0091 -96.1025 -81.0401 61 4 0 4120 2 33 34
C-D -79.9147 -33.8181 -376.74 -490.4728 127 13 2 13789 6 35 45
C-E 0.0 18.4714 -196.564 -178.0926 98 4 8 8066 0 57 54
C-F -23.7233 25.0714 -99.8189 -98.4707 64 7 0 4241 2 33 36
C-G 0.0 0.0 -0.3476 -0.3476 6 0 0 63 0 0 1
D-E -18.8642 25.4131 -91.9684 -85.4195 62 6 0 3921 2 34 34
D-H 0.0 0.0 -2.5518 -2.5518 6 0 0 139 0 0 1
E-F -80.872 -29.8835 -378.082 -488.8375 130 12 2 13894 6 36 46
E-H -26.7609 27.069 -100.239 -99.9309 64 4 0 4114 1 32 35
F-G -19.4283 28.1394 -95.7098 -86.9987 66 4 0 4083 1 33 35
F-H 0.0 21.4807 -194.753 -173.2723 97 0 6 8000 0 56 54
F-P 0.0 0.0 -0.8367 -0.8367 10 0 0 101 0 3 2
G-H -64.5025 -16.3835 -378.221 -459.107 128 9 2 13866 7 34 47
H-L 0.0 0.0 -0.5823 -0.5823 10 0 0 113 0 3 2
H-P -39.0786 -28.1676 -83.9761 -151.2223 58 4 0 3472 11 32 25
I-J -84.6149 -24.5709 -367.5 -476.6857 131 10 2 13678 6 35 45
I-K 0.0 0.0 -0.2726 -0.2726 6 0 0 53 0 0 1
I-N -20.795 29.4878 -92.0256 -83.3328 63 5 0 4029 1 32 34
I-O 0.0 24.7751 -191.059 -166.2839 98 2 7 7990 0 56 54
I-P -17.3784 29.7233 -95.2871 -82.9422 62 1 0 3899 2 32 33
J-L 0.0 0.0 -0.8842 -0.8842 6 0 0 99 0 0 1
J-M -29.1051 30.6107 -98.9759 -97.4703 64 4 0 4065 1 32 35
J-N 0.0 27.7919 -196.709 -168.9171 97 0 6 8039 0 57 54
J-O -15.5268 31.5048 -92.2467 -76.2687 65 5 0 4007 1 33 33
K-L -67.881 -34.0079 -376.744 -478.6329 128 11 2 13955 6 35 46
K-M 0.0 16.9352 -193.763 -176.8278 97 3 6 8065 0 57 54
K-N -20.9108 29.7676 -91.3151 -82.4583 59 9 0 3883 1 33 35
K-P -14.9567 29.1565 -99.321 -85.1212 64 4 0 4035 2 34 35
L-M -18.3576 31.3792 -99.7856 -86.7639 66 7 0 4117 2 33 34
L-O -25.5067 34.0206 -94.4523 -85.9384 67 4 0 4022 1 33 36
L-P 0.0 22.8194 -197.735 -174.9156 100 2 6 7985 0 57 54
M-N -62.6051 -29.3711 -374.083 -466.0592 127 11 2 13805 6 35 44
M-O 0.0 0.0 -0.5312 -0.5312 6 0 0 72 0 0 1
N-P 0.0 0.0 -3.144 -3.144 6 0 0 144 0 0 1
O-P -66.3198 -15.9411 -386.11 -468.371 128 12 2 14000 7 36 47