3SLG

crystal structure of pbgp3 protein from burkholderia pseudomallei

• Total interactions analyzed: 15
• Total true interactions: 9
• Strongest Interaction:
  • Chains: D-E
  • Int. Res.: 139
  • Norm. En. per Res.: -4.5115
• 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-C	-34.4166	-17.0522	-133.4	-184.8687	47	6	1	4418	2	30	20
A-D	-39.196	-27.6581	-135.29	-202.1441	47	9	1	4389	3	29	19
A-F	-87.9137	5.6425	-535.186	-617.4572	138	15	13	20076	8	24	17
B-C	-92.8473	4.7758	-526.237	-614.3085	139	16	11	19962	8	24	17
B-E	-53.9731	-20.4578	-136.763	-211.1939	48	8	1	4457	3	29	20
B-F	-28.896	-26.0779	-134.889	-189.863	45	6	1	4225	3	28	20
C-D	-44.0667	-24.2392	-142.711	-211.017	47	7	1	4512	3	29	21
D-E	-103.6692	6.5234	-529.946	-627.0918	139	16	13	19984	8	24	17
E-F	-40.3713	-19.8912	-139.127	-199.3896	47	7	1	4437	3	27	18

Interface residues

• A-C: ALA3A, ARG92C, ASN60A, ASN60C, ASP35C, ASP39C, ASP56C, CYS71A, GLN37C, GLU54C, GLU62A, GLU62C, GLU65A, GLU65C, GLY55C, HIS51A, HIS67A, ILE57C, ILE59A, ILE59C, LEU96C, LYS110A, LYS113A, LYS2A, LYS5A, LYS61A, LYS61C, LYS69A, LYS70A, MET34C, MET36C, PHE32A, PHE52C, PHE53A, PHE53C, PRO191C, SER107A, THR38C, THR58C, TRP63A, TRP63C, TYR111A, TYR66A, VAL64A, VAL64C, VAL68A, VAL78C
• A-D: ALA3D, ASN60A, ASN60D, ASP35A, ASP39A, ASP56A, CYS71D, GLN37A, GLU30D, GLU54A, GLU62A, GLU62D, GLU65A, GLU65D, GLY55A, HIS51D, HIS67D, ILE57A, ILE59A, ILE59D, LEU96A, LYS110D, LYS113D, LYS2D, LYS5D, LYS61A, LYS61D, LYS69D, LYS70D, MET34A, MET36A, PHE32D, PHE52A, PHE53A, PHE53D, PRO191A, SER107D, THR38A, THR58A, TRP63A, TRP63D, TYR111D, TYR66D, VAL64A, VAL64D, VAL68D, VAL78A
• A-F: ALA128A, ALA128F, ALA136A, ALA136F, ALA138A, ALA138F, ALA152A, ALA152F, ARG106A, ARG106F, ARG148A, ARG148F, ARG160A, ARG160F, ARG176A, ARG176F, ARG92A, ARG92F, ASN145A, ASN145F, ASP133A, ASP133F, ASP135A, ASP135F, ASP159A, ASP159F, ASP97A, ASP97F, CYS127A, CYS127F, CYS153A, CYS153F, GLN156A, GLN156F, GLN89A, GLN89F, GLU168A, GLU168F, GLU95A, GLU95F, GLU99A, GLU99F, GLY125A, GLY125F, GLY142A, GLY142F, GLY164A, GLY164F, GLY166A, GLY166F, GLY247A, GLY247F, ILE144A, ILE144F, ILE150A, ILE150F, ILE162A, ILE162F, ILE249A, ILE249F, LEU102A, LEU102F, LEU139A, LEU139F, LEU157A, LEU157F, LEU170A, LEU170F, LEU174A, LEU174F, LEU91A, LEU91F, LYS146A, LYS146F, LYS155A, LYS155F, LYS248A, LYS248F, LYS88A, LYS88F, MET126A, MET126F, MET158A, MET158F, MET167A, MET167F, PHE172A, PHE172F, PHE94A, PHE94F, PHE98A, PHE98F, PRO103A, PRO103F, PRO134A, PRO134F, PRO143A, PRO143F, PRO147A, PRO147F, PRO90A, PRO90F, SER119A, SER119F, SER137A, SER137F, SER154A, SER154F, THR140A, THR140F, THR85A, THR85F, TRP149A, TRP149F, TRP163A, TRP163F, TYR124A, TYR124F, TYR141A, TYR141F, TYR151A, TYR151F, TYR165A, TYR165F, TYR86A, TYR86F, VAL105A, VAL105F, VAL109A, VAL109F, VAL123A, VAL123F, VAL161A, VAL161F, VAL87A, VAL87F, VAL93A, VAL93F
• B-C: ALA128B, ALA128C, ALA136B, ALA136C, ALA138B, ALA138C, ALA152B, ALA152C, ARG106B, ARG106C, ARG148B, ARG148C, ARG160B, ARG160C, ARG176B, ARG176C, ARG92B, ARG92C, ASN145B, ASN145C, ASP133B, ASP133C, ASP135B, ASP135C, ASP159B, ASP159C, ASP97B, ASP97C, CYS127B, CYS127C, CYS153B, CYS153C, GLN156B, GLN156C, GLN89B, GLN89C, GLU168B, GLU168C, GLU95B, GLU95C, GLU99B, GLU99C, GLY125B, GLY125C, GLY142B, GLY142C, GLY164B, GLY164C, GLY166B, GLY166C, GLY169B, GLY247B, GLY247C, ILE144B, ILE144C, ILE150B, ILE150C, ILE162B, ILE162C, ILE249B, ILE249C, LEU102B, LEU102C, LEU139B, LEU139C, LEU157B, LEU157C, LEU170B, LEU170C, LEU174B, LEU174C, LEU91B, LEU91C, LYS146B, LYS146C, LYS155B, LYS155C, LYS248B, LYS248C, LYS88B, LYS88C, MET126B, MET126C, MET158B, MET158C, MET167B, MET167C, PHE172B, PHE172C, PHE94B, PHE94C, PHE98B, PHE98C, PRO103B, PRO103C, PRO134B, PRO134C, PRO143B, PRO143C, PRO147B, PRO147C, PRO90B, PRO90C, SER119B, SER119C, SER137B, SER137C, SER154B, SER154C, THR140B, THR140C, THR85B, THR85C, TRP149B, TRP149C, TRP163B, TRP163C, TYR124B, TYR124C, TYR141B, TYR141C, TYR151B, TYR151C, TYR165B, TYR165C, TYR86B, TYR86C, VAL105B, VAL105C, VAL109B, VAL109C, VAL123B, VAL123C, VAL161B, VAL161C, VAL87B, VAL87C, VAL93B, VAL93C
• B-E: ALA3E, ARG92B, ASN60B, ASN60E, ASP35B, ASP39B, ASP56B, CYS71E, GLN37B, GLU30E, GLU54B, GLU62B, GLU62E, GLU65B, GLU65E, GLY55B, HIS51E, HIS67E, ILE57B, ILE59B, ILE59E, LEU96B, LYS110E, LYS113E, LYS2E, LYS5E, LYS61B, LYS61E, LYS69E, LYS70E, MET34B, MET36B, PHE32E, PHE52B, PHE53B, PHE53E, PRO191B, SER107E, THR38B, THR58B, TRP63B, TRP63E, TYR111E, TYR66E, VAL64B, VAL64E, VAL68E, VAL78B
• B-F: ASN60B, ASN60F, ASP35F, ASP39F, ASP56F, CYS71B, GLN37F, GLU54F, GLU62B, GLU62F, GLU65B, GLU65F, GLY55F, HIS51B, HIS67B, ILE57F, ILE59B, ILE59F, LEU96F, LYS110B, LYS113B, LYS2B, LYS5B, LYS61B, LYS61F, LYS69B, LYS70B, MET34F, MET36F, PHE32B, PHE52F, PHE53B, PHE53F, PRO191F, SER107B, THR38F, THR58F, TRP63B, TRP63F, TYR111B, TYR66B, VAL64B, VAL64F, VAL68B, VAL78F
• C-D: ALA3C, ASN60C, ASN60D, ASP35D, ASP39D, ASP56D, CYS71C, GLN37D, GLU30C, GLU54D, GLU62C, GLU62D, GLU65C, GLU65D, GLU95D, GLY55D, HIS51C, HIS67C, ILE57D, ILE59D, LEU96D, LYS110C, LYS113C, LYS2C, LYS5C, LYS61C, LYS61D, LYS69C, LYS70C, MET34D, MET36D, PHE32C, PHE52D, PHE53C, PHE53D, PRO191D, SER107C, THR38D, THR58D, TRP63C, TRP63D, TYR111C, TYR66C, VAL64C, VAL64D, VAL68C, VAL78D
• D-E: ALA128D, ALA128E, ALA136D, ALA136E, ALA138D, ALA138E, ALA152D, ALA152E, ARG106D, ARG106E, ARG148D, ARG148E, ARG160D, ARG160E, ARG176D, ARG176E, ARG92D, ARG92E, ASN145D, ASN145E, ASP129E, ASP133D, ASP133E, ASP135D, ASP135E, ASP159D, ASP159E, ASP97D, CYS127D, CYS127E, CYS153D, CYS153E, GLN156D, GLN156E, GLN89D, GLN89E, GLU168D, GLU168E, GLU95D, GLU95E, GLU99D, GLU99E, GLY125D, GLY125E, GLY142D, GLY142E, GLY164D, GLY164E, GLY166D, GLY166E, GLY169D, GLY247D, GLY247E, ILE144D, ILE144E, ILE150D, ILE150E, ILE162D, ILE162E, ILE249D, ILE249E, LEU102D, LEU102E, LEU139D, LEU139E, LEU157D, LEU157E, LEU170D, LEU170E, LEU174D, LEU174E, LEU91D, LEU91E, LYS146D, LYS146E, LYS155D, LYS155E, LYS248D, LYS248E, LYS88D, LYS88E, MET126D, MET126E, MET158D, MET158E, MET167D, MET167E, PHE172D, PHE172E, PHE94D, PHE94E, PHE98D, PHE98E, PRO103D, PRO103E, PRO134D, PRO134E, PRO143D, PRO143E, PRO147D, PRO147E, PRO90D, PRO90E, SER119D, SER119E, SER137D, SER137E, SER154D, SER154E, THR140D, THR140E, THR85D, THR85E, TRP149D, TRP149E, TRP163D, TRP163E, TYR124D, TYR124E, TYR141D, TYR141E, TYR151D, TYR151E, TYR165D, TYR165E, TYR86D, TYR86E, VAL105D, VAL105E, VAL109D, VAL109E, VAL123D, VAL123E, VAL161D, VAL161E, VAL87D, VAL87E, VAL93D, VAL93E
• E-F: ARG92E, ASN60E, ASN60F, ASP35E, ASP39E, ASP56E, CYS71F, GLN37E, GLU30F, GLU54E, GLU62E, GLU62F, GLU65E, GLU65F, GLY55E, HIS51F, HIS67F, ILE57E, ILE59E, ILE59F, LEU96E, LYS110F, LYS113F, LYS2F, LYS5F, LYS61E, LYS61F, LYS69F, LYS70F, MET34E, MET36E, PHE32F, PHE52E, PHE53E, PHE53F, PRO191E, SER107F, THR38E, THR58E, TRP63E, TRP63F, TYR111F, TYR66F, VAL64E, VAL64F, VAL68F, VAL78E