2RET

the crystal structure of a binary complex of two pseudopilins: epsi and epsj from the type 2 secretion system of vibrio vulnificus

• Total interactions analyzed: 28
• Total true interactions: 20
• Strongest Interaction:
  • Chains: G-H
  • Int. Res.: 70
  • Norm. En. per Res.: -2.8213
• Hub Node: B(5)

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	-25.4418	-13.8801	-143.139	-182.4608	67	5	12	5771	0	13	10
A-D	-23.9166	0.0	-50.4106	-74.3272	41	2	4	2275	0	5	3
A-E	0.0	0.0	-63.6756	-63.6756	29	3	3	3069	0	0	0
A-H	0.0	0.0	-23.636	-23.636	29	0	1	1288	0	7	4
B-C	-22.1717	0.0	-47.0351	-69.2068	38	2	4	2165	0	4	3
B-D	-7.1428	-14.761	-176.75	-198.6537	103	12	2	8610	0	28	34
B-F	0.0	0.0	-7.0319	-7.0319	13	0	0	239	0	0	2
B-G	0.0	0.0	-23.3676	-23.3676	20	0	1	1033	0	1	4
B-H	0.0	0.0	-1.2788	-1.2788	8	0	0	138	0	0	2
C-D	-25.6553	3.6522	-128.961	-150.964	67	4	12	5450	0	13	10
C-F	0.0	0.0	-17.4752	-17.4752	18	0	1	819	0	1	2
C-G	0.0	0.0	-65.8676	-65.8676	27	2	1	2752	0	0	0
D-E	0.0	0.0	-23.0946	-23.0946	25	2	1	1209	0	1	4
D-F	0.0	0.0	-0.7296	-0.7296	6	0	0	92	0	0	2
D-H	0.0	0.0	-9.0168	-9.0168	22	0	0	318	0	0	1
E-F	-34.0123	-28.1896	-123.067	-185.2688	68	3	12	5470	0	13	10
E-H	-23.5608	0.0	-49.7036	-73.2644	36	2	4	2117	0	3	3
F-G	-21.2976	0.0	-44.6734	-65.971	38	2	4	2110	0	4	4
F-H	-18.3659	-27.8457	-200.137	-246.3486	104	4	2	8673	0	27	33
G-H	-27.4009	-33.5148	-136.574	-197.4897	70	5	12	5786	0	13	10

Interface residues

• A-B: ALA170B, ALA171B, ALA185B, ALA39B, ALA41A, ALA44A, ALA49A, ALA68A, ARG186B, ARG37B, ARG40B, ARG56B, ASN42B, ASN46A, ASN54A, ASP180B, ASP45A, ASP52B, GLN35B, GLN36A, GLN45B, GLN47A, GLN70A, GLU175B, GLU192B, GLU35A, GLU36B, GLU65A, GLU66A, GLY155B, GLY182B, GLY32A, GLY69A, ILE172B, ILE184B, LEU176B, LEU178B, LEU189B, LEU33B, LEU34A, LEU41B, LEU44B, LEU48B, LEU53A, LEU67A, LYS183B, LYS37A, PHE39A, PRO169B, PRO55A, SER173B, SER34B, THR177B, THR187B, THR190B, THR30A, THR38B, TRP158B, TRP72A, TYR153B, TYR181B, TYR188B, TYR33A, VAL174B, VAL31A, VAL43A, VAL51A
• A-D: ALA110A, ALA41A, ALA49A, ARG105D, ARG106A, ARG126D, ASN113A, ASN54A, ASN98D, ASP45A, GLN100D, GLN101D, GLN102D, GLN134D, GLN83A, GLU107D, GLU112A, GLU135D, ILE103A, LEU34A, LEU53A, LEU85A, LEU86A, LYS37A, LYS56A, LYS87A, PHE103D, PHE89A, PRO104D, PRO131D, PRO55A, PRO99D, SER107A, SER111A, THR104A, TRP96D, TYR108A, TYR127D, VAL105A, VAL109A, VAL51A
• A-E: ALA110A, ALA80A, ALA80E, ALA88A, ALA88E, ARG106A, ARG106E, GLN83A, GLN83E, LEU85A, LEU85E, LEU86A, LEU86E, LYS87A, LYS87E, PRO84A, PRO84E, SER107A, SER107E, THR81A, THR81E, THR82A, THR82E, TYR108A, TYR108E, VAL109A, VAL109E, VAL79A, VAL79E
• A-H: ALA110A, ALA59H, ARG105H, ARG61H, ASN113A, ASN54A, ASN57A, ASN98H, GLN102H, GLN196H, GLN62H, GLN83A, GLU112A, LEU166H, LEU195H, LEU53A, LEU60H, LEU85A, LEU86A, LYS56A, LYS72H, PHE103H, PRO104H, PRO128H, PRO55A, PRO84A, SER111A, VAL108H, VAL109A
• B-C: ALA110C, ALA41C, ALA49C, ARG105B, ARG106C, ARG126B, ASN54C, ASN98B, ASP45C, GLN100B, GLN101B, GLN102B, GLN134B, GLN83C, GLU107B, GLU135B, ILE103C, LEU34C, LEU53C, LEU85C, LEU86C, LYS37C, LYS56C, LYS87C, PHE103B, PHE89C, PRO104B, PRO55C, PRO99B, SER107C, SER111C, THR104C, TRP96B, TYR108C, TYR127B, VAL105C, VAL109C, VAL51C
• B-D: ALA170B, ALA170D, ALA47B, ALA47D, ARG105D, ARG122B, ARG122D, ARG126B, ARG126D, ARG186B, ARG186D, ARG46B, ARG46D, ARG56B, ARG56D, ARG93B, ARG93D, ASN42B, ASN42D, ASN98B, ASN98D, ASP52B, ASP52D, ASP54B, ASP54D, GLN100B, GLN100D, GLN101B, GLN101D, GLN102B, GLN102D, GLN134B, GLN45B, GLN45D, GLN57B, GLN57D, GLU107B, GLU107D, GLU135B, GLU135D, GLU192B, GLU192D, GLU43B, GLU43D, GLY106B, GLY106D, GLY136B, GLY136D, GLY193B, GLY193D, GLY95B, GLY95D, HIS97B, HIS97D, ILE58B, ILE58D, LEU141B, LEU141D, LEU189B, LEU189D, LEU41B, LEU41D, LEU44B, LEU44D, LEU48B, LEU48D, LEU94B, LEU94D, PHE55B, PHE55D, PRO140B, PRO140D, PRO191B, PRO191D, PRO99B, PRO99D, SER53B, SER53D, THR109B, THR109D, THR139B, THR139D, THR190B, THR190D, THR38B, TRP124B, TRP124D, TRP125B, TRP125D, TRP96B, TRP96D, TYR188B, TYR188D, VAL111B, VAL111D, VAL123B, VAL123D, VAL137B, VAL137D, VAL138B, VAL138D, VAL49B, VAL49D
• B-F: ARG105B, ARG105F, ASN194B, GLN100F, GLN101F, GLN102B, GLN102F, GLN196B, GLY193B, PHE103B, PHE103F, PRO104B, PRO104F
• B-G: ALA110G, ARG105B, ARG61B, ASN54G, ASN57G, GLN102B, GLN196B, GLN83G, LEU195B, LEU53G, LEU85G, LEU86G, LYS197B, LYS56G, LYS87G, PHE103B, PRO104B, PRO55G, PRO84G, VAL109G
• B-H: ASN194B, ASN194H, GLN196H, GLU192B, GLU192H, GLY193B, GLY193H, LEU195H
• C-D: ALA170D, ALA171D, ALA185D, ALA39D, ALA41C, ALA44C, ALA49C, ALA68C, ARG186D, ARG37D, ARG40D, ARG56D, ASN42D, ASN46C, ASN54C, ASP180D, ASP45C, ASP52D, GLN35D, GLN36C, GLN45D, GLN47C, GLN70C, GLU175D, GLU192D, GLU35C, GLU36D, GLU65C, GLU66C, GLY155D, GLY182D, GLY32C, GLY69C, ILE172D, ILE184D, LEU176D, LEU178D, LEU189D, LEU34C, LEU41D, LEU44D, LEU48D, LEU53C, LEU67C, LYS156D, LYS183D, LYS37C, PHE39C, PRO169D, PRO55C, SER173D, THR177D, THR187D, THR190D, THR30C, THR38D, TRP158D, TRP72C, TYR153D, TYR181D, TYR188D, TYR33C, VAL105C, VAL174D, VAL31C, VAL43C, VAL51C
• C-F: ALA110C, ARG105F, ARG61F, ASN54C, GLN102F, GLN196F, GLN83C, LEU195F, LEU53C, LEU85C, LEU86C, LYS56C, PHE103F, PRO104F, PRO55C, PRO84C, SER111C, VAL109C
• C-G: ALA80C, ALA80G, ALA88C, ALA88G, ARG106C, ARG106G, GLN83C, GLN83G, LEU85C, LEU85G, LEU86C, LEU86G, LYS87C, LYS87G, PRO84C, PRO84G, SER107C, SER107G, THR81C, THR81G, THR82G, TYR108C, TYR108G, VAL109C, VAL109G, VAL79C, VAL79G
• D-E: ALA110E, ARG105D, ARG61D, ASN54E, ASN57E, GLN102D, GLN196D, GLN62D, GLN83E, GLU107D, LEU166D, LEU195D, LEU53E, LEU85E, LEU86E, LYS197D, LYS56E, LYS72D, LYS87E, PHE103D, PRO104D, PRO55E, PRO84E, SER111E, VAL109E
• D-F: ASN194D, ASN194F, GLU192D, GLU192F, GLY193D, GLY193F
• D-H: ARG105D, ARG105H, ASN194D, ASN194H, GLN100D, GLN100H, GLN101D, GLN101H, GLN102D, GLN196D, GLU192D, GLU192H, GLY193D, GLY193H, LEU195D, LEU195H, LEU60D, LEU60H, PHE103D, PHE103H, PRO104D, PRO104H
• E-F: ALA170F, ALA171F, ALA185F, ALA39F, ALA41E, ALA44E, ALA49E, ALA68E, ARG186F, ARG37F, ARG40F, ARG56F, ASN42F, ASN46E, ASN54E, ASP154F, ASP180F, ASP45E, ASP52F, GLN35F, GLN36E, GLN45F, GLN47E, GLN70E, GLU175F, GLU192F, GLU35E, GLU36F, GLU65E, GLU66E, GLY155F, GLY182F, GLY32E, GLY69E, ILE172F, ILE184F, LEU176F, LEU178F, LEU189F, LEU33F, LEU34E, LEU41F, LEU44F, LEU48F, LEU53E, LEU67E, LYS156F, LYS183F, LYS37E, PHE39E, PRO169F, PRO55E, SER173F, SER34F, THR177F, THR187F, THR190F, THR30E, THR38F, TRP158F, TYR153F, TYR181F, TYR188F, TYR33E, VAL174F, VAL31E, VAL43E, VAL51E
• E-H: ALA110E, ALA41E, ALA49E, ARG105H, ARG106E, ARG126H, ASN54E, ASN98H, ASP45E, GLN100H, GLN101H, GLN102H, GLN134H, GLN83E, GLU107H, ILE103E, LEU53E, LEU58E, LEU85E, LEU86E, LYS37E, LYS56E, LYS87E, PHE103H, PHE89E, PRO104H, PRO55E, PRO99H, SER107E, SER111E, TRP96H, TYR108E, TYR127H, VAL105E, VAL109E, VAL51E
• F-G: ALA110G, ALA41G, ALA44G, ALA49G, ARG105F, ARG106G, ARG126F, ASN54G, ASN98F, ASP45G, GLN100F, GLN101F, GLN102F, GLN134F, GLN83G, GLU135F, ILE103G, LEU34G, LEU53G, LEU85G, LEU86G, LYS37G, LYS56G, LYS87G, PHE103F, PHE89G, PRO104F, PRO131F, PRO55G, PRO99F, SER107G, THR104G, TRP96F, TYR108G, TYR127F, VAL105G, VAL109G, VAL51G
• F-H: ALA170F, ALA170H, ALA47F, ALA47H, ARG105F, ARG105H, ARG122F, ARG122H, ARG126F, ARG126H, ARG186F, ARG186H, ARG46F, ARG46H, ARG56F, ARG56H, ARG93F, ARG93H, ASN42F, ASN42H, ASN98F, ASN98H, ASP52F, ASP52H, ASP54F, ASP54H, GLN100F, GLN100H, GLN101F, GLN101H, GLN102F, GLN102H, GLN45F, GLN45H, GLN57F, GLN57H, GLU107F, GLU107H, GLU135F, GLU135H, GLU192F, GLU192H, GLU43F, GLU43H, GLY106F, GLY106H, GLY136F, GLY136H, GLY193F, GLY193H, GLY95F, GLY95H, HIS97F, HIS97H, ILE58F, ILE58H, LEU141F, LEU141H, LEU189F, LEU189H, LEU41F, LEU41H, LEU44F, LEU44H, LEU48F, LEU48H, LEU94F, LEU94H, PHE55F, PHE55H, PRO140F, PRO140H, PRO191F, PRO191H, PRO99F, PRO99H, SER53F, SER53H, THR109F, THR109H, THR139F, THR139H, THR190F, THR190H, TRP124F, TRP124H, TRP125F, TRP125H, TRP96F, TRP96H, TYR127F, TYR127H, TYR188F, TYR188H, VAL111F, VAL111H, VAL123F, VAL123H, VAL137F, VAL137H, VAL138F, VAL138H, VAL49F, VAL49H
• G-H: ALA170H, ALA171H, ALA185H, ALA39H, ALA41G, ALA44G, ALA49G, ALA68G, ARG186H, ARG37H, ARG40H, ARG56H, ASN42H, ASN46G, ASN54G, ASP154H, ASP180H, ASP45G, ASP52H, GLN35H, GLN36G, GLN45H, GLN47G, GLN70G, GLU175H, GLU192H, GLU35G, GLU36H, GLU65G, GLU66G, GLY155H, GLY182H, GLY32G, GLY69G, ILE172H, ILE184H, LEU176H, LEU178H, LEU189H, LEU33H, LEU34G, LEU41H, LEU44H, LEU48H, LEU53G, LEU67G, LYS156H, LYS183H, LYS37G, PHE39G, PRO169H, PRO55G, SER173H, SER34H, THR177H, THR187H, THR190H, THR30G, THR38H, TRP158H, TRP72G, TYR153H, TYR181H, TYR188H, TYR33G, VAL105G, VAL174H, VAL31G, VAL43G, VAL51G