3FPV

crystal structure of hbps

• Total interactions analyzed: 28
• Total true interactions: 20
• Strongest Interaction:
  • Chains: A-F
  • Int. Res.: 105
  • Norm. En. per Res.: -5.0914
• Hub Node: A(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	-81.3114	-12.4754	-199.251	-293.0378	77	18	5	7922	2	22	24
A-E	0.0	0.0	-0.1384	-0.1384	3	0	0	39	0	2	2
A-F	-179.8628	-19.0141	-335.722	-534.5989	105	32	25	13053	1	18	17
A-G	0.0	-1.5321	-126.926	-128.4581	66	6	2	5993	0	11	10
A-H	0.0	-0.209	-131.627	-131.836	68	5	2	6034	0	12	10
B-C	0.0	0.0	-0.2188	-0.2188	4	0	0	49	0	2	2
B-D	0.0	-5.1935	-131.938	-137.1315	69	5	2	6084	1	12	10
B-F	-4.3228	-7.9243	-137.961	-150.2081	68	7	2	6207	2	11	10
B-G	-146.8288	-12.6238	-334.138	-493.5906	105	25	26	12802	0	18	16
C-D	-2.895	-2.3697	-122.781	-128.0457	69	7	2	6070	1	12	10
C-E	-89.84	4.6542	-205.72	-290.9058	79	23	6	8258	1	24	24
C-F	0.0	-0.2716	-130.422	-130.6936	67	6	2	6059	0	12	10
C-H	-176.8495	-6.9023	-316.185	-499.9368	103	30	23	12582	1	18	17
D-E	-127.6098	-8.8263	-292.358	-428.7941	102	29	22	12165	1	18	17
D-F	0.0	0.0	-0.2912	-0.2912	4	0	0	51	0	2	2
D-G	-78.2293	-27.8349	-202.529	-308.5932	78	15	6	8078	2	25	24
E-G	0.0	-2.1719	-130.531	-132.7029	67	6	2	6221	2	13	12
E-H	0.0	-3.2527	-124.798	-128.0507	66	9	0	5911	0	11	10
F-H	-88.9093	-28.9547	-205.586	-323.4501	78	20	6	8092	3	23	24
G-H	0.0	0.0	-0.209	-0.209	4	0	0	46	0	2	2

Interface residues

• A-B: ALA33A, ALA33B, ALA34A, ALA34B, ALA38A, ALA38B, ALA55A, ALA55B, ALA72A, ALA72B, ARG39A, ARG39B, ARG68A, ARG68B, ASN60A, ASN60B, ASN62A, ASN62B, ASP58A, ASP58B, ASP70A, ASP70B, GLU32A, GLU32B, GLU43A, GLU43B, GLU46A, GLU46B, GLU81A, GLU81B, GLY61A, GLY61B, GLY69A, GLY69B, GLY71A, GLY71B, GLY73A, GLY73B, HIS28A, HIS28B, HIS51B, LEU29A, LEU29B, LEU31A, LEU31B, LEU64A, LEU64B, LEU67A, LEU67B, LYS36A, LYS36B, PRO74A, PRO74B, SER53A, SER53B, THR30A, THR30B, THR35A, THR35B, THR63A, THR63B, THR66A, THR66B, TYR77A, TYR77B, VAL42A, VAL42B, VAL52A, VAL52B, VAL54A, VAL54B, VAL56A, VAL56B, VAL57A, VAL57B, VAL65A, VAL65B
• A-E: ASP109E, LYS108A, LYS108E
• A-F: ALA124A, ALA124F, ALA127A, ALA127F, ALA130A, ALA130F, ALA147A, ALA147F, ALA149A, ALA149F, ALA151A, ALA151F, ALA152A, ALA152F, ALA17A, ALA17F, ALA18A, ALA18F, ALA33A, ALA33F, ALA34A, ALA34F, ALA37A, ALA37F, ARG148A, ARG148F, ARG19A, ARG19F, ARG59A, ARG59F, ASN60A, ASN60F, ASN62A, ASN62F, ASN91A, ASN91F, ASP58A, ASP58F, GLN25A, GLN25F, GLU22A, GLU22F, GLU32A, GLU32F, GLY126A, GLY126F, GLY131A, GLY150A, GLY150F, GLY155A, GLY155F, GLY20A, GLY20F, GLY21A, GLY21F, GLY61A, GLY61F, HIS156A, HIS156F, HIS28A, HIS28F, ILE132A, ILE132F, LEU154A, LEU154F, LEU23A, LEU23F, LEU29A, LEU29F, LEU31A, LEU31F, LEU64A, LEU64F, LYS125A, LYS125F, LYS36A, LYS36F, PHE85A, PHE85F, PRO121A, PRO121F, PRO128A, PRO128F, PRO93A, PRO93F, SER26A, SER26F, THR120A, THR120F, THR123A, THR123F, THR24A, THR24F, THR27A, THR27F, THR30A, THR30F, VAL122A, VAL122F, VAL129A, VAL129F, VAL153A, VAL153F, VAL16A, VAL16F
• A-G: ALA104G, ALA117A, ALA135A, ALA137A, ALA72A, ALA80A, ALA84G, ALA98A, ARG100G, ARG59G, ARG68A, ARG82A, ASN60G, ASN62G, ASN91G, ASP109A, ASP109G, ASP143A, ASP58G, ASP70A, GLN25G, GLN75A, GLU78A, GLU81A, GLY112A, GLY112G, GLY136A, GLY140A, GLY61G, GLY71A, GLY73A, HIS51A, ILE110G, LEU101A, LEU107G, LEU114A, LEU116A, LEU97A, LYS108A, LYS108G, LYS83A, LYS99A, PHE115A, PHE115G, PHE85G, PRO105A, PRO105G, PRO111G, PRO128G, PRO138A, PRO74A, SER139A, SER26G, SER76A, SER79A, SER89G, THR106G, THR113A, THR113G, THR24G, THR86G, THR94A, TRP90G, TYR77A, VAL57G, VAL88G
• A-H: ALA104A, ALA117H, ALA135H, ALA137H, ALA72H, ALA80H, ALA84A, ALA98H, ARG100A, ARG59A, ARG68H, ARG82H, ASN60A, ASN62A, ASN91A, ASP109A, ASP109H, ASP143H, ASP58A, ASP70H, GLN25A, GLN75H, GLU78H, GLU81H, GLY112A, GLY112H, GLY136H, GLY140H, GLY61A, GLY69H, GLY71H, GLY73H, HIS51H, ILE110A, LEU101H, LEU107A, LEU114H, LEU116H, LEU97H, LYS108A, LYS108H, LYS83H, LYS99H, PHE115A, PHE115H, PHE85A, PRO105A, PRO105H, PRO111A, PRO128A, PRO138H, PRO74H, SER139H, SER26A, SER76H, SER79H, SER89A, THR106A, THR113A, THR113H, THR24A, THR86A, THR94H, TRP90A, TYR77H, VAL52H, VAL57A, VAL88A
• B-C: ASP109B, ASP109C, LYS108B, LYS108C
• B-D: ALA104B, ALA117D, ALA135D, ALA137D, ALA72D, ALA80D, ALA84B, ALA87B, ALA98D, ARG100B, ARG59B, ARG68D, ARG82D, ASN60B, ASN62B, ASN91B, ASP109B, ASP109D, ASP143D, ASP58B, ASP70D, GLN25B, GLN75D, GLU78D, GLU81D, GLY112B, GLY112D, GLY136D, GLY140D, GLY61B, GLY71D, GLY73D, HIS51D, ILE110B, LEU101B, LEU101D, LEU107B, LEU114D, LEU116D, LEU97D, LYS108B, LYS108D, LYS83D, LYS99D, PHE115B, PHE115D, PHE85B, PRO105B, PRO105D, PRO111B, PRO128B, PRO138D, PRO74D, SER139D, SER26B, SER76D, SER79D, SER89B, THR106B, THR113B, THR113D, THR24B, THR86B, THR94D, TRP90B, TYR77D, VAL52D, VAL57B, VAL88B
• B-F: ALA104F, ALA117B, ALA127F, ALA135B, ALA137B, ALA72B, ALA80B, ALA84F, ALA98B, ARG100F, ARG59F, ARG68B, ARG82B, ASN60F, ASN62F, ASN91F, ASP109B, ASP109F, ASP143B, ASP58F, ASP70B, GLN25F, GLN75B, GLU78B, GLU81B, GLY112B, GLY112F, GLY136B, GLY140B, GLY61F, GLY71B, GLY73B, HIS51B, ILE110F, LEU101B, LEU107F, LEU114B, LEU116B, LEU97B, LYS108B, LYS108F, LYS83B, LYS99B, PHE115B, PHE115F, PHE85F, PRO105B, PRO105F, PRO111F, PRO128F, PRO138B, PRO74B, SER139B, SER26F, SER76B, SER79B, SER89F, THR106F, THR113B, THR113F, THR24F, THR86F, THR94B, TRP90F, TYR77B, VAL52B, VAL57F, VAL88F
• B-G: ALA124B, ALA124G, ALA127B, ALA127G, ALA130B, ALA130G, ALA147B, ALA147G, ALA149B, ALA149G, ALA151B, ALA151G, ALA152B, ALA152G, ALA17B, ALA17G, ALA18B, ALA18G, ALA33B, ALA33G, ALA34B, ALA34G, ALA37B, ALA37G, ARG148B, ARG148G, ARG19B, ARG19G, ARG59B, ARG59G, ASN60B, ASN60G, ASN62B, ASN62G, ASN91B, ASN91G, ASP58B, ASP58G, GLN25B, GLN25G, GLU22B, GLU22G, GLU32B, GLU32G, GLY126B, GLY126G, GLY131B, GLY150B, GLY150G, GLY155B, GLY155G, GLY20B, GLY20G, GLY21B, GLY21G, GLY61B, GLY61G, HIS156B, HIS156G, HIS28B, HIS28G, ILE132B, ILE132G, LEU154B, LEU154G, LEU23B, LEU23G, LEU29B, LEU29G, LEU31B, LEU31G, LEU64B, LEU64G, LYS125B, LYS125G, LYS36B, LYS36G, PHE85B, PHE85G, PRO121B, PRO121G, PRO128B, PRO128G, PRO93B, PRO93G, SER26B, SER26G, THR120B, THR120G, THR123B, THR123G, THR24B, THR24G, THR27B, THR27G, THR30B, THR30G, VAL122B, VAL122G, VAL129B, VAL129G, VAL153B, VAL153G, VAL16B, VAL16G
• C-D: ALA104D, ALA117C, ALA135C, ALA137C, ALA72C, ALA80C, ALA84D, ALA98C, ARG100D, ARG59D, ARG68C, ARG82C, ASN60D, ASN62D, ASN91D, ASP109C, ASP109D, ASP143C, ASP58D, ASP70C, GLN25D, GLN75C, GLU78C, GLU81C, GLY112C, GLY112D, GLY136C, GLY140C, GLY61D, GLY71C, GLY73C, HIS51C, ILE110D, LEU101C, LEU101D, LEU107D, LEU114C, LEU116C, LEU23D, LEU97C, LYS108C, LYS108D, LYS83C, LYS99C, PHE115C, PHE115D, PHE85D, PRO105C, PRO105D, PRO111D, PRO128D, PRO138C, PRO74C, SER139C, SER26D, SER76C, SER79C, SER89D, THR106D, THR113C, THR113D, THR24D, THR86D, THR94C, TRP90D, TYR77C, VAL52C, VAL57D, VAL88D
• C-E: ALA33C, ALA33E, ALA34C, ALA34E, ALA37C, ALA37E, ALA38C, ALA38E, ALA40C, ALA55C, ALA55E, ALA72C, ALA72E, ARG39C, ARG39E, ARG68C, ARG68E, ASN60C, ASN60E, ASN62C, ASN62E, ASP58C, ASP58E, ASP70C, ASP70E, GLU32C, GLU32E, GLU43C, GLU43E, GLU46C, GLU46E, GLU81C, GLU81E, GLY61C, GLY61E, GLY69C, GLY69E, GLY71C, GLY71E, GLY73C, GLY73E, HIS28C, HIS28E, LEU29C, LEU29E, LEU31C, LEU31E, LEU64C, LEU64E, LEU67C, LEU67E, LYS36C, LYS36E, PRO74C, PRO74E, SER53C, SER53E, THR30C, THR30E, THR35C, THR35E, THR63C, THR63E, THR66C, THR66E, TYR77C, TYR77E, VAL42C, VAL42E, VAL52C, VAL52E, VAL54C, VAL54E, VAL56C, VAL56E, VAL57C, VAL57E, VAL65C, VAL65E
• C-F: ALA104C, ALA117F, ALA135F, ALA137F, ALA72F, ALA80F, ALA84C, ALA98F, ARG100C, ARG59C, ARG68F, ARG82F, ASN60C, ASN62C, ASN91C, ASP109C, ASP109F, ASP143F, ASP58C, ASP70F, GLN25C, GLN75F, GLU78F, GLU81F, GLY112C, GLY112F, GLY136F, GLY140F, GLY61C, GLY71F, GLY73F, HIS51F, ILE110C, LEU101C, LEU101F, LEU107C, LEU114F, LEU116F, LEU97F, LYS108C, LYS108F, LYS83F, PHE115C, PHE115F, PHE85C, PRO105C, PRO105F, PRO111C, PRO128C, PRO138F, PRO74F, SER139F, SER26C, SER76F, SER79F, SER89C, THR106C, THR113C, THR113F, THR24C, THR86C, THR94F, TRP90C, TYR77F, VAL52F, VAL57C, VAL88C
• C-H: ALA124C, ALA124H, ALA127C, ALA127H, ALA130C, ALA130H, ALA147C, ALA147H, ALA149C, ALA149H, ALA151C, ALA151H, ALA152C, ALA152H, ALA17C, ALA17H, ALA18C, ALA18H, ALA33C, ALA33H, ALA34C, ALA34H, ALA37C, ALA37H, ARG148C, ARG148H, ARG19C, ARG19H, ARG59C, ARG59H, ASN60C, ASN60H, ASN62C, ASN62H, ASN91C, ASN91H, ASP58C, ASP58H, GLN25C, GLN25H, GLU22C, GLU22H, GLU32C, GLU32H, GLY126C, GLY126H, GLY150H, GLY155C, GLY155H, GLY20C, GLY20H, GLY21C, GLY21H, GLY61C, GLY61H, HIS156C, HIS156H, HIS28C, HIS28H, ILE132C, ILE132H, LEU154C, LEU154H, LEU23C, LEU23H, LEU29C, LEU29H, LEU31C, LEU31H, LEU64C, LEU64H, LYS125C, LYS125H, LYS36C, LYS36H, PHE85C, PHE85H, PRO121C, PRO121H, PRO128C, PRO128H, PRO93C, PRO93H, SER26C, SER26H, THR120C, THR120H, THR123C, THR123H, THR24C, THR24H, THR27C, THR27H, THR30C, THR30H, VAL122C, VAL122H, VAL129C, VAL129H, VAL153C, VAL153H, VAL16C, VAL16H
• D-E: ALA124D, ALA124E, ALA127D, ALA127E, ALA130D, ALA147D, ALA147E, ALA149D, ALA151D, ALA151E, ALA152D, ALA152E, ALA17D, ALA17E, ALA18D, ALA18E, ALA33D, ALA33E, ALA34D, ALA34E, ALA37D, ALA37E, ARG148D, ARG148E, ARG19D, ARG19E, ARG59D, ARG59E, ASN60D, ASN60E, ASN62D, ASN62E, ASN91D, ASN91E, ASP58D, ASP58E, GLN25D, GLN25E, GLU22D, GLU22E, GLU32D, GLU32E, GLY126D, GLY126E, GLY150D, GLY150E, GLY155D, GLY155E, GLY20D, GLY20E, GLY21D, GLY21E, GLY61D, GLY61E, HIS156D, HIS156E, HIS28D, HIS28E, ILE132D, ILE132E, LEU154D, LEU154E, LEU23D, LEU23E, LEU29D, LEU29E, LEU31D, LEU31E, LEU64D, LEU64E, LYS125D, LYS125E, LYS36D, LYS36E, PHE85D, PHE85E, PRO121D, PRO121E, PRO128D, PRO128E, PRO93D, PRO93E, SER26D, SER26E, THR120D, THR120E, THR123D, THR123E, THR24D, THR24E, THR27D, THR27E, THR30D, THR30E, VAL122D, VAL122E, VAL129D, VAL129E, VAL153D, VAL153E, VAL16D, VAL16E
• D-F: ASP109D, ASP109F, LYS108D, LYS108F
• D-G: ALA33D, ALA33G, ALA34D, ALA34G, ALA37D, ALA38D, ALA38G, ALA55D, ALA55G, ALA72D, ALA72G, ARG39D, ARG39G, ARG68D, ARG68G, ASN60D, ASN60G, ASN62D, ASN62G, ASP58D, ASP58G, ASP70D, ASP70G, GLU32D, GLU32G, GLU43D, GLU43G, GLU46D, GLU46G, GLU81D, GLU81G, GLY61D, GLY61G, GLY69D, GLY69G, GLY71D, GLY71G, GLY73D, GLY73G, HIS28D, HIS28G, HIS51D, LEU29D, LEU29G, LEU31D, LEU31G, LEU64D, LEU64G, LEU67D, LEU67G, LYS36D, LYS36G, PRO74D, PRO74G, SER53D, SER53G, THR30D, THR30G, THR35D, THR35G, THR63D, THR63G, THR66D, THR66G, TYR77D, TYR77G, VAL42D, VAL42G, VAL52D, VAL52G, VAL54D, VAL54G, VAL56D, VAL56G, VAL57D, VAL57G, VAL65D, VAL65G
• E-G: ALA104E, ALA117G, ALA135G, ALA137G, ALA72G, ALA80G, ALA84E, ALA98G, ARG100E, ARG59E, ARG68G, ARG82G, ASN60E, ASN62E, ASN91E, ASP109E, ASP109G, ASP143G, ASP58E, ASP70G, GLN25E, GLN75G, GLU22E, GLU78G, GLU81G, GLY112E, GLY112G, GLY136G, GLY140G, GLY61E, GLY71G, GLY73G, HIS51G, ILE110E, LEU101E, LEU101G, LEU107E, LEU114G, LEU116G, LYS108E, LYS108G, LYS83G, PHE115E, PHE115G, PHE85E, PRO105E, PRO105G, PRO111E, PRO128E, PRO138G, PRO74G, SER139G, SER26E, SER76G, SER79G, SER89E, THR106E, THR113E, THR113G, THR24E, THR86E, THR94G, TRP90E, TYR77G, VAL52G, VAL57E, VAL88E
• E-H: ALA104H, ALA117E, ALA135E, ALA137E, ALA72E, ALA80E, ALA84H, ALA98E, ARG100H, ARG59H, ARG68E, ARG82E, ASN60H, ASN62H, ASN91H, ASP109E, ASP109H, ASP141E, ASP58H, ASP70E, GLN25H, GLN75E, GLU78E, GLU81E, GLY112E, GLY112H, GLY136E, GLY140E, GLY61H, GLY71E, GLY73E, HIS51E, ILE110H, LEU101E, LEU101H, LEU107H, LEU114E, LEU116E, LEU97E, LYS108E, LYS108H, LYS83E, PHE115E, PHE115H, PHE85H, PRO105E, PRO105H, PRO111H, PRO128H, PRO138E, PRO74E, SER139E, SER26H, SER76E, SER79E, SER89H, THR106H, THR113E, THR113H, THR24H, THR86H, TRP90H, TYR77E, VAL52E, VAL57H, VAL88H
• F-H: ALA33F, ALA33H, ALA34F, ALA34H, ALA38F, ALA38H, ALA55F, ALA55H, ALA72F, ALA72H, ARG39F, ARG39H, ARG68F, ARG68H, ASN60F, ASN60H, ASN62F, ASN62H, ASP58F, ASP58H, ASP70F, ASP70H, GLU32F, GLU32H, GLU43F, GLU43H, GLU46F, GLU46H, GLU81F, GLU81H, GLY61F, GLY61H, GLY69F, GLY69H, GLY71F, GLY71H, GLY73F, GLY73H, HIS28F, HIS28H, HIS51F, HIS51H, LEU29F, LEU29H, LEU31F, LEU31H, LEU64F, LEU64H, LEU67F, LEU67H, LYS36F, LYS36H, PRO74F, PRO74H, SER53F, SER53H, THR30F, THR30H, THR35F, THR35H, THR63F, THR63H, THR66F, THR66H, TYR77F, TYR77H, VAL42F, VAL42H, VAL52F, VAL52H, VAL54F, VAL54H, VAL56F, VAL56H, VAL57F, VAL57H, VAL65F, VAL65H
• G-H: ASP109G, ASP109H, LYS108G, LYS108H