3MUG
crystal structure of human fab pg16, a broadly reactive and potent hiv-1 neutralizing antibody
Total interactions analyzed 66
Total true interactions 28
Strongest Interaction Chains E-F
Int. Res. 192
Norm. En. per Res. -3.2561
Hub Node A(7)
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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 -39.8782 -109.572 -442.46 -591.9103 192 14 12 18629 9 31 42
A-C -21.5409 18.01 -59.9085 -63.4394 50 2 0 2979 0 8 7
A-D -7.1981 0.0 -56.1508 -63.3489 40 1 0 2664 0 5 3
A-E 0.0 0.0 -0.001 -0.001 2 0 0 3 0 0 0
A-F -4.6261 -5.4082 -41.1275 -51.1618 40 7 0 2192 0 16 18
A-I 0.0 0.0 -0.2195 -0.2195 6 0 0 72 0 2 1
A-J -15.9829 -4.2021 -45.8906 -66.0755 27 4 0 1755 0 6 4
B-C -6.885 0.0 -54.4107 -61.2957 40 1 0 2552 0 4 3
B-D 0.0 0.0 -0.0097 -0.0097 2 0 0 7 0 0 0
B-I -15.4857 -4.346 -50.8556 -70.6873 27 2 0 1923 0 8 4
B-J -68.6972 10.8238 -104.258 -162.1315 55 15 1 4492 0 18 26
C-D -42.171 -102.6073 -426.536 -571.3142 189 12 11 17996 10 30 42
C-E 0.0 0.0 -2.0089 -2.0089 14 0 0 146 0 0 1
C-F -7.016 0.0 -48.3523 -55.3683 40 3 0 2344 0 10 10
E-F -69.2948 -111.1366 -444.737 -625.1684 192 30 14 18669 9 35 43
E-J -8.451 -0.4633 -95.66 -104.5743 48 2 0 3695 0 7 9
G-H -42.9248 -111.2183 -459.247 -613.3902 194 18 11 19269 9 32 42
G-I -32.8525 22.3502 -66.8342 -77.3365 51 5 0 3309 0 8 7
G-J -6.7687 0.0 -51.4003 -58.169 39 0 0 2446 0 4 3
G-K 0.0 0.0 -0.001 -0.001 2 0 0 3 0 0 0
G-L 0.0 -11.0499 -32.4077 -43.4576 34 2 0 1601 0 14 13
H-I -7.5927 0.0 -71.1672 -78.7599 41 1 0 2991 0 5 3
H-J 0.0 0.0 -0.0089 -0.0089 2 0 0 7 0 0 0
I-J -34.1039 -101.9887 -426.388 -562.4807 190 14 10 18259 9 32 43
I-K -18.068 0.0 -35.6469 -53.7149 35 4 0 1619 0 2 5
I-L -22.9058 0.0 -68.3497 -91.2555 44 9 0 2828 0 10 9
J-L 0.0 0.0 -0.0736 -0.0736 6 0 0 34 0 3 2
K-L -39.0505 -90.8747 -447.786 -577.7112 196 14 13 18605 7 38 43