Table 3 Hydrogen and hydrophobic interactions of the complexes and distance among ligands and protein.

OprM-NPC100251

Thr423(A), Arg419(A), Arg419(B), Asp416(B), Ser420(B), Ser393(B), Thr211(A), Gln427(B), Gln386(B) and

Tyr185(A)

2.46–3.24

Ala212(A), Gln426(A), Gly215(A), Gln418(A), Leu415(A), Phe422(A), Thr423(A), Ala424(B), Leu389(B), Ala218(B), Asp431(B), Ala216(B) and Thr219(A)

3.35–4.28

OprN-NPC100251

Asp409(C), Arg412(C), Arg412(B), Asp409(B), Asp409(A), Ser416(B),

Ser416(A) and Arg420(B)

2.17–3.34

Glu413(B), Arg204(A), Ser211(A), Leu415(A), Asp419(A), Ile169(A), Glu413(A), Arg412(A), Ser416(C), Ala207(B) and Glu413(C)

3.35–4.02

OprJ-NPC100251

Arg217(A), Leu419(A), Arg415(A), Ser416(B), Arg415(C), Asp412(B),

Ser416(A), Gln210(B), Ser416(C) and Asn420(C)

2.70–3.13

Gln210(A), Glu214(A), Ile422(A), Phe418(A), Arg415(A), Leu419(B), Asp412(C), Leu419(C), Leu385(C) and Ala423(C)

3.4–4.54

OprA-NPC100251

Arg420(B), Arg474(C), Asp471(B), Glu478(B), Glu478(A), Ser475(A), Glu478(C) and Arg474(B)

2.85–3.20

Ser270(B), Arg474(A), Glu482(A), Gln441(B), Met266(C), Asp471 and Phe477(B),

3.44–3.86

TolC-NPC100251

Asp374(C), Thr378(A), Asn167(C), Thr163(C), Asp374(A), Asn381(C) and Thr378(C)

2.65–3.34

Val370(B), Gln129(C), Val164(C), Gln160(C), Mse358(A), Asp374(B), Thr377(C) and Mse358(C)

2.88–4.4