2GA0

variable small protein 1 of borrelia turicatae (vspa or vsp1)

• Total interactions analyzed: 28
• Total true interactions: 10
• Strongest Interaction:
  • Chains: A-B
  • Int. Res.: 197
  • Norm. En. per Res.: -3.4879
• Hub Node: A(4)

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	-74.979	-45.6981	-566.43	-687.1072	197	40	23	26087	6	76	90
A-C	-6.2497	-12.0536	-43.8686	-62.1719	42	4	2	2405	1	20	18
A-D	-10.6347	-10.8992	-44.2899	-65.8238	54	3	2	2712	1	37	43
A-G	0.0	0.0	-0.4112	-0.4112	16	0	0	169	0	10	13
B-D	0.0	0.0	-0.1379	-0.1379	2	0	0	16	0	2	1
B-F	-9.1198	-0.5117	-53.9058	-63.5373	60	3	0	3055	1	31	36
C-D	-65.417	-45.224	-538.053	-648.694	197	25	22	25197	5	74	90
C-G	-13.1513	10.6751	-122.062	-124.5381	56	4	0	4593	2	24	33
E-F	-68.2115	-79.7307	-537.267	-685.2092	198	25	22	25561	9	72	90
G-H	-46.4084	-49.3428	-565.45	-661.2011	198	30	21	25733	4	77	91

Interface residues

• A-B: ALA104A, ALA104B, ALA140A, ALA140B, ALA145A, ALA145B, ALA157A, ALA157B, ALA160A, ALA160B, ALA197A, ALA197B, ALA200A, ALA200B, ALA42A, ALA42B, ALA51B, ALA53A, ALA53B, ALA55A, ALA55B, ALA72A, ALA72B, ALA74A, ALA74B, ALA81A, ALA81B, ALA88A, ALA88B, ALA92A, ALA92B, ALA98A, ALA98B, ASN199A, ASN199B, ASN47A, ASN47B, ASN82A, ASN82B, ASN91A, ASN91B, ASP146A, ASP146B, ASP150A, ASP150B, ASP151A, ASP151B, ASP154A, ASP154B, ASP40A, ASP40B, ASP50A, ASP50B, ASP60A, ASP60B, ASP69A, ASP69B, ASP87A, ASP87B, ASP89A, ASP89B, GLU191A, GLU191B, GLU70A, GLU70B, GLU85A, GLU85B, GLY148A, GLY148B, GLY76A, GLY76B, GLY80A, GLY80B, GLY83A, GLY83B, GLY97A, GLY97B, HIS62A, HIS62B, ILE102A, ILE102B, ILE161A, ILE161B, ILE198A, ILE198B, ILE39A, ILE39B, ILE44A, ILE44B, ILE48A, ILE48B, ILE68A, ILE68B, ILE75A, ILE75B, ILE79A, ILE79B, ILE95A, ILE95B, LEU137A, LEU137B, LEU147A, LEU147B, LEU187A, LEU187B, LEU201A, LEU201B, LEU41A, LEU41B, LEU64A, LEU64B, LEU71A, LEU71B, LEU84A, LEU84B, LEU94A, LEU94B, LYS108A, LYS108B, LYS139A, LYS139B, LYS141A, LYS141B, LYS143A, LYS143B, LYS149A, LYS149B, LYS153A, LYS153B, LYS171A, LYS171B, LYS46A, LYS46B, LYS56A, LYS56B, LYS59A, LYS59B, LYS66A, LYS66B, LYS73A, LYS73B, LYS77A, LYS77B, LYS78A, LYS78B, LYS90A, LYS90B, LYS93A, LYS93B, PHE136A, PHE136B, SER100A, SER100B, SER103A, SER103B, SER142A, SER142B, SER57A, SER57B, SER67A, SER67B, SER96A, SER96B, THR107A, THR107B, THR138A, THR138B, THR144A, THR144B, THR195A, THR195B, THR45A, THR45B, THR49A, THR49B, THR63A, THR63B, THR86A, THR86B, TYR99A, TYR99B, VAL101A, VAL101B, VAL105A, VAL105B, VAL152A, VAL152B, VAL194A, VAL194B, VAL52A, VAL52B, VAL58A, VAL58B, VAL61A, VAL61B, VAL65A, VAL65B
• A-C: ALA104C, ALA110C, ALA155A, ALA164A, ALA168A, ALA173A, ALA42C, ALA53C, ASN180A, ASP162A, ASP165A, ASP170A, ASP184A, ASP60C, GLU174A, GLY167A, ILE163A, ILE177A, LEU109C, LEU112C, LEU64C, LYS108C, LYS114C, LYS115C, LYS139A, LYS158A, LYS169A, LYS178A, LYS46C, LYS56C, LYS59C, PHE54C, SER111C, SER57C, THR107C, THR159A, THR166A, THR181A, THR188A, VAL116C, VAL58C, VAL61C
• A-D: ALA155A, ALA164A, ALA164D, ALA182D, ALA185D, ALA192D, ALA72D, ALA88A, ASN180D, ASN82A, ASP151A, ASP154A, ASP156A, ASP162D, ASP165A, ASP165D, ASP184D, ASP69D, ASP87A, ASP89A, GLU174D, GLU191D, GLU70D, GLU85A, GLY76A, GLY83A, HIS62D, ILE163D, ILE177D, ILE183D, ILE75A, LEU176D, LEU179D, LEU84A, LYS153A, LYS158A, LYS169D, LYS178D, LYS59D, LYS66A, LYS66D, LYS73A, LYS73D, LYS77A, LYS78A, LYS90A, THR166A, THR166D, THR181D, THR188D, THR195D, THR63D, THR86A, VAL65D
• A-G: ASP170A, ASP170G, GLU174G, GLU175G, LYS139A, LYS139G, LYS143A, LYS143G, LYS178A, LYS178G, SER135A, SER135G, SER142A, SER142G, THR138A, THR138G
• B-D: ASP150B, THR166D
• B-F: ALA110B, ALA110F, ALA132B, ALA132F, ASN131B, ASN131F, ASP106B, ASP106F, ASP120B, ASP120F, ASP121B, ASP121F, GLU113B, GLU113F, GLU174B, GLU175B, GLU175F, GLY117F, GLY124B, GLY124F, ILE118F, ILE126B, ILE126F, LEU109F, LEU112B, LEU112F, LEU137B, LYS114B, LYS114F, LYS115B, LYS115F, LYS123B, LYS123F, LYS125B, LYS130B, LYS130F, LYS139B, LYS139F, LYS141B, LYS141F, LYS143B, LYS178B, LYS178F, PHE136B, SER111B, SER119F, SER133B, SER135B, SER135F, SER142B, THR107B, THR127B, THR127F, THR128B, THR128F, THR134B, THR134F, THR138B, THR138F, VAL116F
• C-D: ALA104C, ALA104D, ALA140C, ALA140D, ALA145C, ALA145D, ALA157C, ALA157D, ALA160C, ALA160D, ALA190C, ALA197C, ALA197D, ALA200C, ALA200D, ALA42C, ALA42D, ALA51D, ALA53C, ALA53D, ALA55C, ALA55D, ALA72C, ALA72D, ALA74C, ALA74D, ALA81C, ALA81D, ALA88C, ALA88D, ALA92C, ALA92D, ALA98C, ALA98D, ASN199C, ASN199D, ASN47C, ASN47D, ASN82C, ASN82D, ASN91C, ASN91D, ASP146C, ASP146D, ASP150C, ASP150D, ASP151C, ASP151D, ASP154C, ASP154D, ASP40C, ASP40D, ASP50C, ASP50D, ASP60C, ASP60D, ASP69C, ASP69D, ASP87C, ASP87D, ASP89C, ASP89D, GLU191C, GLU191D, GLU70C, GLU70D, GLU85C, GLU85D, GLY148C, GLY148D, GLY76C, GLY76D, GLY80C, GLY80D, GLY83C, GLY83D, GLY97C, GLY97D, HIS62C, HIS62D, ILE102C, ILE102D, ILE161C, ILE161D, ILE198C, ILE198D, ILE39C, ILE39D, ILE44C, ILE44D, ILE48C, ILE48D, ILE68C, ILE68D, ILE75C, ILE75D, ILE79C, ILE79D, ILE95C, ILE95D, LEU137C, LEU137D, LEU147C, LEU147D, LEU187C, LEU187D, LEU201C, LEU201D, LEU41C, LEU41D, LEU64C, LEU64D, LEU71C, LEU71D, LEU84C, LEU84D, LEU94C, LEU94D, LYS108C, LYS108D, LYS139C, LYS139D, LYS141C, LYS141D, LYS143C, LYS143D, LYS149C, LYS149D, LYS153C, LYS153D, LYS171C, LYS171D, LYS46C, LYS46D, LYS56C, LYS56D, LYS59C, LYS59D, LYS66C, LYS66D, LYS73C, LYS73D, LYS77C, LYS77D, LYS78C, LYS78D, LYS90C, LYS90D, LYS93C, LYS93D, PHE136C, PHE136D, SER100C, SER100D, SER103C, SER103D, SER142C, SER142D, SER57C, SER57D, SER67C, SER67D, SER96C, SER96D, THR107C, THR107D, THR138C, THR138D, THR144C, THR144D, THR195C, THR195D, THR45C, THR45D, THR49C, THR49D, THR63C, THR63D, THR86C, THR86D, TYR99C, TYR99D, VAL101C, VAL101D, VAL105C, VAL105D, VAL152C, VAL152D, VAL194C, VAL194D, VAL52C, VAL52D, VAL58C, VAL61C, VAL61D, VAL65C, VAL65D
• C-G: ALA110C, ALA110G, ALA132C, ALA132G, ALA182C, ALA182G, ALA185C, ALA185G, ASN131C, ASN131G, ASP120C, ASP120G, ASP121C, ASP121G, GLU113C, GLU113G, GLY124C, GLY124G, ILE118C, ILE118G, ILE126C, ILE126G, LEU109C, LEU112C, LEU112G, LEU122C, LEU122G, LYS114C, LYS114G, LYS115C, LYS115G, LYS123C, LYS123G, LYS125C, LYS125G, LYS130C, LYS130G, LYS178C, SER111C, SER111G, SER119C, SER119G, SER135C, SER135G, SER189C, SER189G, THR127C, THR127G, THR128C, THR128G, THR134C, THR134G, THR138C, VAL116G, VAL129C, VAL129G
• E-F: ALA104E, ALA104F, ALA140E, ALA140F, ALA145E, ALA145F, ALA157E, ALA157F, ALA160E, ALA160F, ALA190E, ALA192E, ALA197E, ALA197F, ALA200E, ALA200F, ALA42E, ALA42F, ALA51F, ALA53E, ALA53F, ALA55E, ALA55F, ALA72E, ALA72F, ALA74E, ALA74F, ALA81E, ALA81F, ALA88E, ALA88F, ALA92E, ALA92F, ALA98E, ALA98F, ASN199E, ASN199F, ASN47F, ASN82E, ASN82F, ASN91E, ASN91F, ASP146E, ASP146F, ASP150E, ASP150F, ASP151E, ASP151F, ASP154E, ASP154F, ASP40E, ASP40F, ASP50E, ASP50F, ASP60E, ASP60F, ASP69E, ASP69F, ASP87E, ASP87F, ASP89E, ASP89F, GLU191E, GLU191F, GLU70E, GLU70F, GLU85E, GLU85F, GLY148E, GLY148F, GLY76E, GLY76F, GLY80E, GLY80F, GLY83E, GLY83F, GLY97E, GLY97F, HIS62E, HIS62F, ILE102E, ILE102F, ILE161E, ILE161F, ILE198E, ILE198F, ILE39E, ILE39F, ILE44E, ILE44F, ILE48E, ILE48F, ILE68E, ILE68F, ILE75E, ILE75F, ILE79E, ILE79F, ILE95E, ILE95F, LEU137E, LEU137F, LEU147E, LEU147F, LEU187E, LEU187F, LEU201E, LEU201F, LEU41E, LEU41F, LEU64E, LEU64F, LEU71E, LEU71F, LEU84E, LEU84F, LEU94E, LEU94F, LYS108E, LYS108F, LYS139E, LYS139F, LYS141E, LYS141F, LYS143E, LYS143F, LYS149E, LYS149F, LYS171E, LYS171F, LYS46E, LYS46F, LYS56E, LYS56F, LYS59E, LYS59F, LYS66E, LYS66F, LYS73E, LYS73F, LYS77E, LYS77F, LYS78E, LYS78F, LYS90E, LYS90F, LYS93E, LYS93F, PHE136E, PHE136F, SER100E, SER100F, SER103E, SER103F, SER142E, SER142F, SER57E, SER57F, SER67E, SER67F, SER96E, SER96F, THR107E, THR107F, THR138E, THR138F, THR144E, THR144F, THR188E, THR188F, THR195E, THR195F, THR45E, THR45F, THR49E, THR49F, THR63E, THR63F, THR86E, THR86F, TYR99E, TYR99F, VAL101E, VAL101F, VAL105E, VAL105F, VAL152E, VAL152F, VAL194E, VAL194F, VAL52E, VAL52F, VAL58E, VAL58F, VAL61E, VAL61F, VAL65E, VAL65F
• G-H: ALA104G, ALA104H, ALA140G, ALA140H, ALA145G, ALA145H, ALA157G, ALA157H, ALA160G, ALA160H, ALA197G, ALA197H, ALA200G, ALA200H, ALA42G, ALA42H, ALA51G, ALA51H, ALA53G, ALA53H, ALA55G, ALA55H, ALA72G, ALA72H, ALA74G, ALA74H, ALA81G, ALA81H, ALA88G, ALA88H, ALA92G, ALA92H, ALA98G, ALA98H, ASN199G, ASN199H, ASN47G, ASN47H, ASN82G, ASN82H, ASN91G, ASN91H, ASP146H, ASP150G, ASP150H, ASP151G, ASP151H, ASP154G, ASP154H, ASP40G, ASP40H, ASP50G, ASP50H, ASP60G, ASP60H, ASP69G, ASP69H, ASP87G, ASP87H, ASP89G, ASP89H, GLU191G, GLU191H, GLU70G, GLU70H, GLU85G, GLU85H, GLY148G, GLY148H, GLY76G, GLY76H, GLY80G, GLY80H, GLY83G, GLY83H, GLY97G, GLY97H, HIS62G, HIS62H, ILE102G, ILE102H, ILE161G, ILE161H, ILE198G, ILE198H, ILE39G, ILE39H, ILE44G, ILE44H, ILE48G, ILE48H, ILE68G, ILE68H, ILE75G, ILE75H, ILE79G, ILE79H, ILE95G, ILE95H, LEU137G, LEU137H, LEU147G, LEU147H, LEU187G, LEU187H, LEU201G, LEU201H, LEU41G, LEU41H, LEU64G, LEU64H, LEU71G, LEU71H, LEU84G, LEU84H, LEU94G, LEU94H, LYS108G, LYS108H, LYS139G, LYS139H, LYS141G, LYS141H, LYS143G, LYS143H, LYS149G, LYS149H, LYS153G, LYS171G, LYS171H, LYS46G, LYS46H, LYS56G, LYS56H, LYS59G, LYS59H, LYS66G, LYS66H, LYS73G, LYS73H, LYS77G, LYS77H, LYS78G, LYS78H, LYS90G, LYS90H, LYS93G, LYS93H, PHE136G, PHE136H, SER100G, SER100H, SER103G, SER103H, SER142G, SER142H, SER57G, SER57H, SER67G, SER67H, SER96G, SER96H, THR107G, THR107H, THR138G, THR138H, THR144G, THR144H, THR188G, THR195G, THR195H, THR43H, THR45G, THR45H, THR49G, THR49H, THR63G, THR63H, THR86G, THR86H, TYR99G, TYR99H, VAL101G, VAL101H, VAL105G, VAL105H, VAL152G, VAL152H, VAL194G, VAL194H, VAL52G, VAL52H, VAL58G, VAL58H, VAL61G, VAL61H, VAL65G, VAL65H