2PKH

structural genomics, the crystal structure of the c-terminal domain of histidine utilization repressor from pseudomonas syringae pv. tomato str. dc3000

• Total interactions analyzed: 28
• Total true interactions: 25
• Strongest Interaction:
  • Chains: E-F
  • Int. Res.: 92
  • Norm. En. per Res.: -7.0069
• Hub Node: A(7)

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	-181.1497	-49.0823	-385.263	-615.495	96	27	7	13908	4	29	45
A-C	-37.3409	6.8466	-45.6442	-76.1385	13	6	1	1512	0	5	8
A-D	0.0	-5.0392	-23.8055	-28.8447	54	2	1	1407	0	13	15
A-E	-39.8411	-109.3879	-124.717	-273.946	63	6	3	4932	9	31	36
A-F	-15.8263	12.5964	-52.2482	-55.4781	32	5	0	1999	2	15	13
A-G	-6.8165	-40.5371	-52.1256	-99.4792	26	1	0	1599	2	6	7
A-H	0.0	0.0	-0.0015	-0.0015	2	0	0	1	0	1	0
B-C	-3.5003	-22.1902	-35.9771	-61.6676	58	2	0	1763	2	14	14
B-D	-57.2469	-5.475	-72.5398	-135.2617	28	9	0	2438	0	9	24
B-E	0.0	5.6087	-60.169	-54.5603	33	2	0	2180	0	15	13
B-G	0.0	0.0	-0.0016	-0.0016	2	0	0	1	0	1	0
B-H	0.0	0.0	-0.0003	-0.0003	2	0	0	1	0	0	4
C-D	-178.1293	-29.5069	-411.346	-618.9823	93	32	8	14179	2	28	45
C-E	-12.573	-60.0603	-53.5773	-126.2107	29	8	0	1590	3	6	7
C-F	0.0	0.0	-0.0098	-0.0098	4	0	0	8	0	1	0
C-G	-43.3838	-113.1189	-122.095	-278.5977	64	6	3	4960	10	29	35
C-H	0.0	5.8909	-59.011	-53.1201	32	3	0	2132	0	15	14
D-E	0.0	0.0	-0.0059	-0.0059	4	0	0	6	0	1	0
D-G	-11.4949	11.1796	-43.2621	-43.5774	31	7	0	2045	1	15	12
E-F	-181.2911	-49.6884	-413.654	-644.6335	92	29	7	14122	3	27	44
E-G	-33.3434	12.5607	-39.8202	-60.6029	13	6	1	1503	0	4	8
E-H	-2.5402	-25.7121	-35.8481	-64.1004	56	1	0	1810	3	14	13
F-G	0.0	-5.0334	-20.7358	-25.7692	57	2	1	1393	0	13	17
F-H	-56.6823	-6.9611	-69.2543	-132.8976	28	11	0	2495	0	9	24
G-H	-180.629	-30.8452	-402.888	-614.3623	97	20	6	13814	2	29	45

Interface residues

• A-B: ALA196A, ALA196B, ALA199A, ALA199B, ALA211A, ALA211B, ARG219A, ARG219B, ARG220A, ARG220B, ARG221A, ARG221B, ARG226A, ARG233A, ARG240A, ARG240B, ARG242A, ARG242B, ARG246A, ARG246B, ASP210A, ASP210B, CYS215A, CYS215B, GLU189A, GLU189B, GLU191A, GLU191B, GLU195A, GLU195B, GLU213A, GLU213B, GLU244A, GLU244B, GLY190A, GLY190B, GLY212A, GLY212B, GLY225A, GLY225B, GLY238A, GLY238B, GLY245A, GLY245B, HIS192A, HIS192B, HIS236A, HIS236B, HIS241A, HIS241B, ILE197A, ILE197B, ILE218A, ILE218B, LEU187A, LEU187B, LEU198A, LEU198B, LEU216A, LEU216B, LEU217A, LEU217B, LEU243A, LEU243B, LYS249A, LYS249B, PHE247A, PHE247B, PRO186A, PRO186B, PRO214A, PRO214B, PRO228A, PRO237A, PRO237B, SER182A, SER182B, SER224A, SER224B, SER239A, SER239B, THR188A, THR188B, THR222A, THR222B, THR230A, THR248A, THR248B, TRP223A, TRP223B, TYR178A, TYR178B, VAL193A, VAL193B, VAL194A, VAL194B
• A-C: ARG220C, ARG246A, ARG246C, GLU244A, GLU244C, GLY245A, GLY245C, LYS249A, LYS249C, PHE247A, PHE247C, THR248A, THR248C
• A-D: ALA179A, ALA179D, ALA185A, ARG109D, ARG226A, ARG242D, ARG246A, ARG246D, ASN148D, GLN175A, GLN175D, GLN183A, GLN183D, GLU147D, GLU189A, GLU189D, GLU191A, GLU191D, GLU244D, GLY190A, GLY190D, GLY225A, GLY245A, GLY245D, HIS110D, HIS145D, HIS192A, HIS192D, HIS241D, LEU174A, LEU174D, LEU187A, PHE146D, PHE247A, PHE247D, PRO186A, SER182A, SER182D, SER224A, THR111D, THR173D, THR176A, THR176D, THR188A, THR188D, THR248A, THR248D, TYR178A, TYR180A, TYR180D, VAL152D, VAL184A, VAL193A, VAL194A
• A-E: ALA121A, ALA121E, ALA122A, ALA122E, ALA127A, ALA127E, ALA129A, ALA129E, ALA196A, ALA196E, ALA199A, ALA199E, ALA231A, ALA231E, ARG126A, ARG126E, ARG133A, ARG133E, ARG137A, ARG137E, ARG219A, ARG219E, ARG221A, ARG221E, ARG233A, ARG233E, ASP131A, ASP131E, GLN136A, GLN136E, GLU125A, GLU125E, GLU134A, GLU134E, GLU191A, GLU191E, GLU195A, GLU195E, GLU200A, GLU200E, GLU203A, GLY123A, GLY123E, GLY135A, GLY135E, ILE197A, ILE197E, ILE235A, ILE235E, LEU128A, LEU128E, LEU130A, LEU130E, LEU198A, LEU198E, LEU217A, LEU217E, SER124A, SER124E, VAL193A, VAL193E, VAL194A, VAL194E
• A-F: ALA121A, ALA122A, ALA127A, ARG126A, ARG133A, ARG137A, ARG240F, ARG242F, ASN148F, ASP131A, ASP210F, GLN136A, GLN162A, GLN227A, GLU134A, GLU147F, GLU213F, GLU244F, GLY135A, GLY238F, HIS236F, HIS241F, ILE150F, LEU128A, LEU130A, LEU216F, LEU243F, PRO214F, PRO228A, PRO237F, SER239F, VAL152F
• A-G: ARG133A, ARG133G, ARG226A, ARG226G, ASN160A, ASN160G, ASP131A, ASP131G, GLN136A, GLN136G, GLN162A, GLN227A, GLN227G, GLY225A, GLY225G, LEU130A, LEU130G, PRO228A, PRO228G, SER224A, SER224G, TRP223A, TRP223G, VAL163A, VAL163G, VAL229A
• A-H: ARG246H, ASP131A
• B-C: ALA179B, ALA179C, ALA185C, ARG109B, ARG226B, ARG226C, ARG242B, ARG246B, ARG246C, ASN148B, GLN175B, GLN175C, GLN183B, GLN183C, GLN227C, GLU147B, GLU189B, GLU189C, GLU191B, GLU191C, GLU244B, GLY190B, GLY190C, GLY225B, GLY225C, GLY245B, GLY245C, HIS108B, HIS110B, HIS192B, HIS192C, HIS241B, LEU174B, LEU174C, LEU187C, PHE146B, PHE247B, PHE247C, PRO186C, SER182B, SER182C, SER224C, THR111B, THR176B, THR176C, THR188B, THR188C, THR248B, THR248C, TRP223B, TYR178B, TYR178C, TYR180B, VAL163C, VAL184C, VAL193C, VAL194C, VAL229C
• B-D: ARG220B, ARG220D, ARG242B, ARG242D, ARG246B, ARG246D, GLN153B, GLN153D, GLU189B, GLU189D, GLU244B, GLU244D, GLY245B, GLY245D, HIS236B, HIS236D, HIS241B, HIS241D, ILE218D, LEU234D, LEU243B, LEU243D, LYS249B, LYS249D, PHE247B, PHE247D, THR248B, THR248D
• B-E: ALA121E, ALA122E, ALA127E, ARG133E, ARG137E, ARG240B, ARG242B, ASN148B, ASP131E, ASP210B, GLN136E, GLN162E, GLN227E, GLU134E, GLU147B, GLU213B, GLU244B, GLY123E, GLY135E, GLY238B, HIS108B, HIS236B, HIS241B, ILE150B, LEU128E, LEU130E, LEU216B, LEU243B, PRO214B, PRO237B, SER124E, SER239B, VAL152B
• B-G: ARG246B, ASP131G
• B-H: HIS108B, HIS108H
• C-D: ALA196C, ALA196D, ALA199C, ALA199D, ALA211D, ARG219C, ARG219D, ARG220C, ARG220D, ARG221C, ARG221D, ARG226C, ARG240C, ARG240D, ARG242C, ARG242D, ARG246C, ARG246D, CYS215C, CYS215D, GLU189C, GLU189D, GLU191C, GLU191D, GLU195C, GLU195D, GLU213C, GLU213D, GLU244C, GLU244D, GLY190C, GLY190D, GLY212C, GLY212D, GLY225C, GLY225D, GLY238C, GLY238D, GLY245C, GLY245D, HIS192C, HIS192D, HIS236C, HIS236D, HIS241C, HIS241D, ILE197C, ILE197D, ILE218C, ILE218D, LEU187C, LEU187D, LEU198C, LEU198D, LEU216C, LEU216D, LEU217C, LEU217D, LEU243C, LEU243D, LYS249C, LYS249D, PHE247C, PHE247D, PRO186C, PRO186D, PRO214C, PRO214D, PRO228C, PRO237C, PRO237D, SER182C, SER182D, SER224C, SER224D, SER239C, SER239D, THR188C, THR188D, THR222C, THR222D, THR230C, THR230D, THR248C, THR248D, TRP223C, TRP223D, TYR178C, TYR178D, VAL193C, VAL193D, VAL194C, VAL194D
• C-E: ARG133C, ARG133E, ARG221C, ARG226C, ARG226E, ASN160C, ASN160E, ASP131C, ASP131E, GLN136C, GLN136E, GLN162E, GLN227C, GLN227E, GLY225C, GLY225E, LEU130C, LEU130E, PRO228C, PRO228E, SER224C, SER224E, THR188C, THR188E, TRP223C, TRP223E, VAL163E, VAL229C, VAL229E
• C-F: ARG133C, ARG246F, ASP131C, THR248F
• C-G: ALA121C, ALA121G, ALA122C, ALA122G, ALA127C, ALA127G, ALA129C, ALA129G, ALA196C, ALA196G, ALA199C, ALA199G, ALA231C, ALA231G, ARG126C, ARG126G, ARG133C, ARG133G, ARG137C, ARG137G, ARG219C, ARG219G, ARG221C, ARG221G, ARG233C, ARG233G, ASP131C, ASP131G, GLN136C, GLN136G, GLU125C, GLU125G, GLU134C, GLU134G, GLU191C, GLU191G, GLU195C, GLU195G, GLU200C, GLU200G, GLU203C, GLU203G, GLY123C, GLY123G, GLY135C, GLY135G, ILE197C, ILE197G, ILE235C, ILE235G, LEU128C, LEU128G, LEU130C, LEU130G, LEU198C, LEU198G, LEU217C, LEU217G, SER124C, SER124G, VAL193C, VAL193G, VAL194C, VAL194G
• C-H: ALA121C, ALA122C, ALA127C, ARG133C, ARG137C, ARG240H, ARG242H, ASN148H, ASP131C, ASP210H, GLN136C, GLN162C, GLU134C, GLU147H, GLU213H, GLU244H, GLY123C, GLY135C, GLY238H, HIS108H, HIS236H, HIS241H, ILE150H, LEU128C, LEU130C, LEU216H, LEU243H, PRO214H, PRO237H, SER124C, SER239H, VAL152H
• D-E: ARG133E, ARG246D, ASP131E, THR248D
• D-G: ALA121G, ALA122G, ALA127G, ARG126G, ARG133G, ARG137G, ARG240D, ARG242D, ASN148D, ASP131G, ASP210D, GLN136G, GLN162G, GLN227G, GLU134G, GLU147D, GLU213D, GLU244D, GLY135G, GLY238D, HIS241D, ILE150D, LEU128G, LEU130G, LEU216D, LEU243D, PRO214D, PRO228G, PRO237D, SER239D, VAL152D
• E-F: ALA196E, ALA196F, ALA199E, ALA199F, ALA211F, ARG219E, ARG219F, ARG220E, ARG220F, ARG221E, ARG221F, ARG226E, ARG226F, ARG240E, ARG240F, ARG242E, ARG242F, ARG246E, ARG246F, CYS215E, CYS215F, GLU189E, GLU189F, GLU191E, GLU191F, GLU195E, GLU195F, GLU213E, GLU213F, GLU244E, GLU244F, GLY190E, GLY190F, GLY212E, GLY212F, GLY225E, GLY238E, GLY238F, GLY245E, GLY245F, HIS192E, HIS192F, HIS236E, HIS236F, HIS241E, HIS241F, ILE197E, ILE197F, ILE218E, ILE218F, LEU187E, LEU187F, LEU198E, LEU198F, LEU216E, LEU216F, LEU217E, LEU217F, LEU243E, LEU243F, LYS249E, LYS249F, PHE247E, PHE247F, PRO186E, PRO186F, PRO214E, PRO214F, PRO228E, PRO237E, PRO237F, SER182E, SER182F, SER224E, SER224F, SER239E, SER239F, THR188E, THR188F, THR222E, THR222F, THR230F, THR248E, THR248F, TRP223E, TRP223F, TYR178E, TYR178F, VAL193E, VAL193F, VAL194E, VAL194F
• E-G: ARG220E, ARG246E, ARG246G, GLU244E, GLU244G, GLY245E, GLY245G, LYS249E, LYS249G, PHE247E, PHE247G, THR248E, THR248G
• E-H: ALA179E, ALA179H, ALA185E, ARG109H, ARG226E, ARG226H, ARG242H, ARG246E, ARG246H, ASN148H, GLN175E, GLN175H, GLN183E, GLN183H, GLN227E, GLU147H, GLU189E, GLU189H, GLU191E, GLU191H, GLU244H, GLY190E, GLY190H, GLY225E, GLY225H, GLY245E, GLY245H, HIS108H, HIS110H, HIS192E, HIS192H, HIS241H, LEU174H, LEU187E, PHE146H, PHE247E, PHE247H, PRO186E, SER182E, SER182H, SER224E, THR111H, THR173H, THR176E, THR176H, THR188E, THR188H, THR248E, THR248H, TRP223H, TYR178E, TYR178H, VAL152H, VAL184E, VAL193E, VAL194E
• F-G: ALA179F, ALA179G, ALA185G, ARG109F, ARG226F, ARG226G, ARG242F, ARG246F, ARG246G, ASP171F, CYS112F, GLN175F, GLN175G, GLN183F, GLN183G, GLU147F, GLU189F, GLU189G, GLU191F, GLU191G, GLU244F, GLY190F, GLY190G, GLY225G, GLY245F, GLY245G, HIS110F, HIS145F, HIS192F, HIS192G, HIS241F, LEU174F, LEU174G, LEU187G, PHE146F, PHE247F, PHE247G, PRO186G, SER182F, SER182G, SER224G, THR111F, THR173F, THR176F, THR176G, THR188F, THR188G, THR248F, THR248G, TYR178F, TYR178G, TYR180F, TYR180G, VAL152F, VAL184G, VAL193G, VAL194G
• F-H: ARG220F, ARG220H, ARG242F, ARG242H, ARG246F, ARG246H, GLN153F, GLU189F, GLU189H, GLU244F, GLU244H, GLY245F, GLY245H, HIS236F, HIS236H, HIS241F, HIS241H, ILE218F, LEU216F, LEU234F, LEU243F, LEU243H, LYS249F, LYS249H, PHE247F, PHE247H, THR248F, THR248H
• G-H: ALA196G, ALA196H, ALA199G, ALA199H, ALA211H, ARG157H, ARG219G, ARG219H, ARG220G, ARG220H, ARG221G, ARG221H, ARG226G, ARG233G, ARG240G, ARG240H, ARG242G, ARG242H, ARG246G, ARG246H, ASP210H, CYS215G, CYS215H, GLN227G, GLU189G, GLU189H, GLU191G, GLU191H, GLU195G, GLU195H, GLU213G, GLU213H, GLU244G, GLU244H, GLY190G, GLY190H, GLY212G, GLY212H, GLY225G, GLY225H, GLY238G, GLY238H, GLY245G, GLY245H, HIS192G, HIS192H, HIS236G, HIS236H, HIS241G, HIS241H, ILE197G, ILE197H, ILE218G, ILE218H, LEU187G, LEU187H, LEU198G, LEU198H, LEU216G, LEU216H, LEU217G, LEU217H, LEU243G, LEU243H, LYS249G, LYS249H, PHE247G, PHE247H, PRO186G, PRO186H, PRO214G, PRO214H, PRO228G, PRO237G, PRO237H, SER182G, SER182H, SER224G, SER224H, SER239G, SER239H, THR188G, THR188H, THR222G, THR222H, THR230G, THR230H, THR248G, THR248H, TRP223G, TRP223H, TYR178G, TYR178H, VAL193G, VAL193H, VAL194G, VAL194H