2R1A

crystal structure of the periplasmic lipopolysaccharide transport protein lpta (yhbn), trigonal form

• Total interactions analyzed: 28
• Total true interactions: 9
• Strongest Interaction:
  • Chains: G-H
  • Int. Res.: 79
  • Norm. En. per Res.: -4.7391
• Hub Node: C(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	-69.5161	-4.8243	-198.618	-272.9583	76	12	3	7834	0	15	13
B-C	-73.2764	-31.4789	-192.966	-297.7214	74	10	2	8260	1	15	10
B-H	0.0	0.0	-0.0031	-0.0031	2	0	0	3	0	7	8
C-D	-80.2446	2.3208	-193.332	-271.2558	82	13	2	7896	0	14	12
C-G	0.0	-1.3325	-33.3349	-34.6674	36	0	0	1728	1	28	20
C-H	0.0	0.0	-0.1881	-0.1881	16	0	0	81	0	3	3
E-F	-84.1804	-11.2839	-189.944	-285.4083	70	12	3	7787	0	14	12
F-G	-27.8616	-17.6093	-164.296	-209.7669	76	16	3	7490	1	15	11
G-H	-111.667	-39.7899	-222.93	-374.3869	79	22	2	8826	1	14	10

Interface residues

• A-B: ALA152A, ARG159A, ARG76B, ASN101A, ASN135A, ASN50B, ASN57B, ASP100A, ASP133A, ASP155A, ASP33B, ASP41B, ASP46B, GLN131A, GLN148A, GLN151A, GLN34B, GLN42B, GLN43B, GLN48B, GLN62B, GLN97A, GLN99A, GLU147A, GLU39B, GLU84B, GLY138A, GLY157A, GLY49B, GLY56B, HIS37B, ILE136A, ILE141A, ILE36B, ILE38B, ILE59B, ILE86B, LEU129A, LEU144A, LEU164A, LEU45B, LYS103A, LYS137A, LYS140A, LYS146A, LYS149A, LYS156A, LYS158A, MET150A, MET47B, PHE153A, PHE54B, PHE95A, PRO35B, SER134A, SER154A, SER40B, SER44B, THR142A, THR161A, THR162A, THR32B, THR53B, THR55B, THR61B, THR75B, TYR143A, VAL105A, VAL145A, VAL160A, VAL163A, VAL165A, VAL52B, VAL58B, VAL60B, VAL74B
• B-C: ALA152B, ARG159B, ARG76C, ASN101B, ASN135B, ASN50C, ASN57C, ASP133B, ASP139B, ASP155B, ASP33C, ASP41C, ASP46C, GLN131B, GLN148B, GLN151B, GLN34C, GLN42C, GLN43C, GLN48C, GLN62C, GLU147B, GLU39C, GLU84C, GLY138B, GLY157B, GLY49C, GLY56C, HIS37C, ILE136B, ILE141B, ILE36C, ILE38C, ILE59C, ILE86C, LEU116C, LEU129B, LEU144B, LEU164B, LEU45C, LYS103B, LYS137B, LYS140B, LYS149B, LYS156B, LYS158B, MET150B, MET47C, PHE153B, PHE54C, PRO166B, PRO35C, SER134B, SER154B, SER40C, SER44C, THR142B, THR161B, THR162B, THR32C, THR53C, THR55C, THR61C, TYR143B, VAL145B, VAL160B, VAL163B, VAL165B, VAL51C, VAL52C, VAL58C, VAL60C, VAL72C, VAL74C
• B-H: GLU147B, LYS71H
• C-D: ALA152C, ARG159C, ARG76D, ASN101C, ASN135C, ASN50D, ASN57D, ASP100C, ASP133C, ASP139C, ASP155C, ASP33D, ASP41D, ASP46D, GLN131C, GLN148C, GLN151C, GLN34D, GLN42D, GLN43D, GLN48D, GLN62D, GLN97C, GLN99C, GLU147C, GLU39D, GLU84D, GLY138C, GLY157C, GLY49D, GLY56D, GLY79D, HIS37D, ILE136C, ILE141C, ILE36D, ILE38D, ILE59D, ILE86D, LEU116D, LEU129C, LEU144C, LEU164C, LEU45D, LYS103C, LYS137C, LYS140C, LYS146C, LYS149C, LYS156C, LYS158C, MET150C, MET47D, PHE153C, PHE54D, PHE95C, PRO166C, PRO35D, SER134C, SER154C, SER40D, SER44D, THR142C, THR161C, THR162C, THR29C, THR32D, THR53D, THR55D, THR61D, TYR143C, VAL105C, VAL132C, VAL145C, VAL160C, VAL163C, VAL165C, VAL51D, VAL52D, VAL58D, VAL60D, VAL74D
• C-G: ALA109C, ALA117G, ALA93C, ASN126C, ASP119G, ASP139C, ASP155C, ASP33G, ASP70C, ASP87C, GLN111C, GLN148G, GLN34G, GLU147G, GLY125C, GLY30G, GLY88C, GLY90C, LEU116G, LEU144G, LYS118G, LYS140C, LYS146G, LYS149G, LYS71C, LYS91C, PHE120G, PRO92C, SER110C, THR124C, THR29G, THR32G, THR53C, TYR89C, VAL145G, VAL73C
• C-H: ASP46C, ASP46H, GLN48C, GLN48H, GLY49C, GLY49H, HIS113C, PRO77C, THR53H, THR75C, TYR89C, TYR89H, VAL51C, VAL51H, VAL73C, VAL73H
• E-F: ALA152E, ARG159E, ARG76F, ASN135E, ASN50F, ASN57F, ASP133E, ASP139E, ASP155E, ASP31F, ASP33F, ASP41F, ASP46F, GLN131E, GLN148E, GLN151E, GLN34F, GLN42F, GLN43F, GLN48F, GLN62F, GLN99E, GLU147E, GLU39F, GLU84F, GLY138E, GLY157E, GLY49F, GLY56F, HIS37F, ILE136E, ILE141E, ILE36F, ILE38F, ILE59F, LEU129E, LEU164E, LEU45F, LYS137E, LYS140E, LYS149E, LYS156E, LYS158E, MET150E, MET47F, PHE153E, PHE54F, PRO166E, PRO35F, SER134E, SER154E, SER167E, SER40F, SER44F, THR142E, THR161E, THR162E, THR32F, THR53F, THR55F, THR61F, TYR143E, VAL160E, VAL163E, VAL165E, VAL52F, VAL58F, VAL60F, VAL74F, VAL85F
• F-G: ALA152F, ARG159F, ARG76G, ASN101F, ASN135F, ASN50G, ASN57G, ASP133F, ASP139F, ASP155F, ASP33G, ASP41G, ASP46G, GLN131F, GLN148F, GLN151F, GLN34G, GLN42G, GLN43G, GLN48G, GLN62G, GLU147F, GLU39G, GLU84G, GLY138F, GLY157F, GLY49G, GLY56G, GLY79G, HIS37G, ILE136F, ILE141F, ILE36G, ILE38G, ILE59G, ILE86G, LEU116G, LEU129F, LEU144F, LEU164F, LEU45G, LYS103F, LYS137F, LYS140F, LYS149F, LYS156F, LYS158F, LYS83G, MET150F, MET47G, PHE153F, PHE54G, PRO35G, SER134F, SER154F, SER40G, SER44G, THR142F, THR161F, THR162F, THR53G, THR55G, THR61G, THR75G, TYR143F, VAL132F, VAL160F, VAL163F, VAL165F, VAL51G, VAL52G, VAL58G, VAL60G, VAL72G, VAL74G, VAL85G
• G-H: ALA152G, ALA69H, ARG159G, ARG76H, ASN101G, ASN135G, ASN50H, ASN57H, ASN68H, ASP100G, ASP133G, ASP155G, ASP33H, ASP41H, ASP46H, GLN131G, GLN148G, GLN151G, GLN34H, GLN42H, GLN43H, GLN48H, GLN62H, GLN97G, GLN99G, GLU147G, GLU39H, GLU84H, GLY138G, GLY157G, GLY49H, GLY56H, HIS37H, ILE136G, ILE141G, ILE36H, ILE38H, ILE59H, ILE86H, LEU129G, LEU144G, LEU164G, LEU45H, LYS103G, LYS137G, LYS140G, LYS149G, LYS156G, LYS158G, MET150G, MET47H, MET98G, PHE153G, PHE54H, PRO104G, PRO35H, SER134G, SER154G, SER40H, SER44H, THR142G, THR161G, THR162G, THR53H, THR55H, THR61H, THR75H, TYR143G, VAL105G, VAL132G, VAL145G, VAL160G, VAL163G, VAL165G, VAL51H, VAL52H, VAL58H, VAL60H, VAL74H