1UOJ

crystal structure of pseudomonas aeruginosa lectin 1 in the calcium-free state

• Total interactions analyzed: 6
• Total true interactions: 6
• Strongest Interaction:
  • Chains: B-D
  • Int. Res.: 16
  • Norm. En. per Res.: -3.6464
• Hub Node: A(3)

All Interactions

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
A-B	-65.435	20.5844	-279.528	-324.3786	95	18	4	10029	1	10	14
A-C	-7.9193	0.0	-56.746	-64.6653	18	2	0	1334	0	4	2
A-D	-27.3585	3.9575	-71.4133	-94.8143	40	7	0	3043	0	6	7
B-C	-35.4486	2.917	-68.3564	-100.8881	41	9	0	2860	0	6	7
B-D	-8.5365	0.0	-49.8055	-58.342	16	3	0	1216	0	4	1
C-D	-45.1006	18.1877	-273.456	-300.3689	97	15	3	10023	1	11	13

Interface residues

• A-B: ALA1A, ALA1B, ALA30A, ALA30B, ALA31A, ALA31B, ALA34A, ALA34B, ALA60A, ALA64A, ALA64B, ARG48A, ARG48B, ARG83A, ARG83B, ASN115A, ASN115B, ASN78A, ASN78B, ASP119A, ASP119B, ASP47A, ASP47B, CYS62A, GLN120A, GLN120B, GLN40A, GLN40B, GLN45A, GLN45B, GLU49A, GLU49B, GLY110B, GLY117A, GLY117B, GLY32A, GLY32B, GLY43A, GLY43B, GLY46A, GLY46B, GLY80A, GLY80B, ILE116A, ILE116B, ILE18A, ILE18B, ILE26A, ILE26B, ILE28A, ILE28B, LEU81A, LEU81B, LYS118A, LYS118B, LYS3A, LYS3B, LYS41A, LYS41B, PHE112A, PHE112B, PHE61A, PHE61B, PHE82A, PHE82B, PRO38A, PRO44A, PRO44B, SER109B, SER113A, SER113B, SER121B, SER35A, SER35B, THR27A, THR27B, THR39A, THR39B, THR79A, THR79B, TRP2A, TRP2B, TRP33A, TRP33B, TRP42A, TRP42B, TRP84B, VAL114A, VAL114B, VAL25A, VAL25B, VAL29A, VAL29B, VAL77A, VAL77B
• A-C: ARG83A, ARG83C, ASP119A, ASP119C, GLN120A, GLN120C, GLY117C, ILE26C, LYS118A, LYS118C, PHE82A, PHE82C, SER121A, SER121C, THR27A, THR27C, VAL25A, VAL25C
• A-D: ALA1A, ALA1D, ARG83A, ARG83D, ASN21A, ASN21D, ASP119A, ASP119D, ASP24A, ASP24D, GLN120A, GLN120D, GLN91A, GLY117A, GLY117D, GLY23A, GLY23D, ILE116A, ILE116D, ILE18A, ILE18D, ILE19A, ILE19D, ILE26A, ILE26D, LYS118A, LYS118D, PRO22A, PRO22D, SER121A, SER121D, SER17D, THR27A, THR27D, TRP2A, TRP2D, TYR20A, TYR20D, VAL25A, VAL25D
• B-C: ALA1B, ALA1C, ARG83B, ARG83C, ASN21B, ASN21C, ASP119B, ASP119C, ASP24B, ASP24C, GLN120B, GLN120C, GLN91B, GLN91C, GLY117B, GLY117C, GLY23B, GLY23C, ILE116B, ILE116C, ILE18B, ILE18C, ILE19B, ILE19C, ILE26B, ILE26C, LYS118B, LYS118C, PRO22B, PRO22C, SER121B, SER121C, SER17B, THR27B, THR27C, TRP2B, TRP2C, TYR20B, TYR20C, VAL25B, VAL25C
• B-D: ARG83B, ARG83D, ASP119B, ASP119D, GLN120B, GLN120D, LYS118B, LYS118D, PHE82B, PHE82D, SER121B, SER121D, THR27B, THR27D, VAL25B, VAL25D
• C-D: ALA1C, ALA1D, ALA30C, ALA30D, ALA31C, ALA31D, ALA34C, ALA34D, ALA60D, ALA64C, ALA64D, ARG48C, ARG48D, ARG83C, ARG83D, ASN115C, ASN115D, ASN78C, ASN78D, ASP119C, ASP119D, ASP47C, ASP47D, CYS62C, CYS62D, GLN120C, GLN120D, GLN40C, GLN40D, GLN45C, GLN45D, GLU49C, GLU49D, GLY110C, GLY110D, GLY117C, GLY117D, GLY32C, GLY32D, GLY43C, GLY43D, GLY46C, GLY46D, GLY80C, GLY80D, ILE116C, ILE116D, ILE18C, ILE18D, ILE26C, ILE26D, ILE28C, ILE28D, LEU81C, LEU81D, LYS118C, LYS118D, LYS3C, LYS3D, LYS41C, LYS41D, PHE112C, PHE112D, PHE61C, PHE61D, PHE82C, PHE82D, PRO44C, PRO44D, SER109D, SER113C, SER113D, SER121C, SER35C, SER35D, THR27C, THR27D, THR39C, THR39D, THR79C, THR79D, TRP2C, TRP2D, TRP33C, TRP33D, TRP42C, TRP42D, TRP84C, TRP84D, VAL114C, VAL114D, VAL25C, VAL25D, VAL29C, VAL29D, VAL77C, VAL77D