3NHV

crystal structure of bh2092 protein from bacillus halodurans, northeast structural genomics consortium target bhr228f

• Total interactions analyzed: 10
• Total true interactions: 9
• Strongest Interaction:
  • Chains: B-D
  • Int. Res.: 51
  • Norm. En. per Res.: -4.1934
• 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	-23.5953	-47.1111	-275.332	-346.0384	92	6	10	10345	4	31	43
A-C	-23.7004	-49.7466	-276.611	-350.058	92	11	11	10408	4	30	44
A-D	0.0	0.0	-0.2356	-0.2356	8	0	0	39	0	2	5
A-E	-6.3702	-104.6539	-69.655	-180.6791	47	1	1	2871	8	29	31
B-C	-20.3178	-58.2546	-292.101	-370.6735	94	16	12	11178	6	32	49
B-D	-30.3717	-108.6427	-74.8489	-213.8633	51	6	1	3652	7	29	31
B-E	0.0	0.0	-0.174	-0.174	5	0	0	30	0	2	2
C-D	0.0	0.0	-11.2939	-11.2939	10	0	0	328	0	3	2
C-E	0.0	0.0	-0.012	-0.012	6	0	0	7	0	2	0

Interface residues

• A-B: ALA102A, ALA105A, ALA106A, ALA107A, ALA110A, ALA21B, ALA36B, ALA98A, ARG115A, ARG127B, ARG23B, ASN100A, ASN130B, ASN146A, ASN17B, ASN19B, ASP34B, ASP37B, CYS94A, CYS99A, GLN111A, GLU118A, GLU124A, GLU124B, GLU129B, GLU132B, GLU150A, GLU20B, GLU32A, GLU32B, GLY101A, GLY113A, GLY121A, GLY121B, GLY122B, GLY131B, GLY96A, GLY96B, HIS24B, ILE120A, ILE120B, ILE35B, ILE40B, ILE42B, ILE90A, ILE91A, LEU112A, LEU119A, LEU119B, LEU143A, LEU143B, LEU29B, LEU38B, LYS104A, LYS108A, LYS117A, LYS117B, LYS128A, LYS128B, LYS148A, LYS149A, LYS27A, LYS27B, LYS28A, LYS28B, LYS43B, LYS86A, PHE109A, PHE114A, PHE144A, PHE144B, PRO18B, PRO66B, PRO97A, PRO97B, SER30A, SER30B, SER39B, THR103A, THR33B, THR92A, TRP126B, TRP145A, TRP95A, TYR125A, TYR125B, TYR22B, TYR25B, TYR31A, TYR31B, VAL116A, VAL133B
• A-C: ALA102C, ALA105C, ALA106C, ALA107C, ALA110C, ALA21A, ALA36A, ALA98C, ARG115C, ARG127A, ARG23A, ASN100C, ASN130A, ASN146C, ASN17A, ASN19A, ASP34A, ASP37A, CYS94C, CYS99C, GLN111C, GLU118A, GLU118C, GLU124A, GLU124C, GLU129A, GLU132A, GLU150C, GLU20A, GLU32A, GLU32C, GLY101C, GLY113C, GLY121A, GLY121C, GLY122A, GLY131A, GLY96A, GLY96C, HIS24A, HIS24C, ILE120A, ILE120C, ILE35A, ILE40A, ILE42A, ILE90C, ILE91C, LEU112C, LEU119A, LEU143A, LEU143C, LEU29A, LEU38A, LYS104C, LYS108C, LYS117C, LYS128A, LYS128C, LYS148C, LYS149C, LYS27A, LYS27C, LYS28A, LYS28C, LYS43A, LYS86C, PHE109C, PHE114C, PHE144A, PHE144C, PRO18A, PRO66A, PRO97A, PRO97C, SER30A, SER30C, SER39A, THR103C, THR33A, THR92C, TRP126A, TRP145C, TRP95C, TYR125A, TYR125C, TYR22A, TYR25A, TYR31C, VAL116C, VAL133A, VAL89C
• A-D: ASN74A, ASN74D, GLN111A, GLN111D, LYS104A, LYS104D, LYS108A, LYS108D
• A-E: ALA57E, ALA59E, ARG115A, ARG55E, ARG83E, ASN74E, ASN77E, ASP37A, ASP41A, ASP56E, ASP79E, GLN111E, GLU47A, GLU58E, GLU78E, GLU87A, GLY113A, GLY45A, GLY48A, ILE40A, ILE49A, ILE71E, ILE76E, ILE91A, LEU38A, LYS117A, LYS148E, LYS149E, LYS43A, LYS44A, LYS61E, LYS75E, LYS82E, LYS86A, LYS88A, PRO72E, SER30A, SER70E, SER85A, THR33A, THR80E, TRP145E, TYR22A, TYR46A, TYR60E, VAL116A, VAL89A
• B-C: ALA102B, ALA105B, ALA106B, ALA107B, ALA110B, ALA16C, ALA21C, ALA36C, ALA98B, ARG115B, ARG127C, ARG23C, ASN100B, ASN130C, ASN146B, ASN17C, ASN19C, ASP34C, ASP37C, CYS94B, CYS99B, GLN111B, GLU118B, GLU118C, GLU124B, GLU124C, GLU129C, GLU132C, GLU150B, GLU20C, GLU32B, GLU32C, GLY101B, GLY113B, GLY121B, GLY121C, GLY122C, GLY131C, GLY96B, GLY96C, HIS24B, HIS24C, ILE120B, ILE120C, ILE35C, ILE40C, ILE90B, ILE91B, LEU112B, LEU119C, LEU143B, LEU143C, LEU152B, LEU29C, LEU38C, LYS104B, LYS108B, LYS117B, LYS117C, LYS128B, LYS128C, LYS148B, LYS149B, LYS27B, LYS27C, LYS28B, LYS28C, LYS43C, LYS86B, PHE109B, PHE114B, PHE144B, PHE144C, PRO18C, PRO97B, PRO97C, SER151B, SER30B, SER30C, SER39C, THR103B, THR33C, THR92B, TRP126C, TRP145B, TRP95B, TYR125B, TYR125C, TYR22C, TYR25C, TYR31B, TYR31C, VAL116B, VAL89B
• B-D: ALA57D, ALA59D, ARG115B, ARG55D, ARG83D, ASN74D, ASN77D, ASP37B, ASP41B, ASP56D, ASP79D, GLN111D, GLU47B, GLU58D, GLU78D, GLU87B, GLY113B, GLY45B, GLY48B, ILE40B, ILE42B, ILE49B, ILE71D, ILE76D, ILE90B, ILE91B, LEU38B, LYS117B, LYS149D, LYS27B, LYS43B, LYS44B, LYS61D, LYS75D, LYS82D, LYS86B, LYS88B, PHE114B, PRO72D, SER30B, SER70D, SER85B, THR33B, THR80D, THR81D, TRP145D, TYR22B, TYR31B, TYR46B, VAL116B, VAL89B
• B-E: ASN17B, ASP79E, GLU78E, LYS82E, PRO18B
• C-D: ALA16C, ALA21C, ARG83D, ASN17C, ASN77D, ASP79D, GLU20C, GLU78D, LYS82D, PRO18C
• C-E: GLN111C, GLN111E, GLU150C, LYS108C, LYS108E, LYS148E