3O3W

crystal structure of bh2092 protein (residues 14-131) from bacillus halodurans, northeast structural genomics consortium target bhr228a

• Total interactions analyzed: 36
• Total true interactions: 22
• Strongest Interaction:
  • Chains: F-G
  • Int. Res.: 13
  • Norm. En. per Res.: -4.2553
• Hub Node: C(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	-4.0655	-36.2534	-196.588	-236.9069	69	5	10	7360	4	20	32
A-C	-22.2052	-43.2241	-227.313	-292.7423	81	26	12	9213	4	26	38
A-E	0.0	0.0	-0.1817	-0.1817	6	0	0	38	0	8	2
B-C	-22.8398	-49.6586	-237.445	-309.9434	74	9	13	8205	4	19	33
B-E	0.0	0.0	-0.0389	-0.0389	5	0	0	7	0	0	2
C-D	0.0	0.0	-3.0028	-3.0028	14	0	0	248	0	6	5
C-E	0.0	1.9717	-18.1767	-16.205	22	14	0	1344	0	9	8
C-F	0.0	0.0	-0.1608	-0.1608	2	0	0	20	0	1	2
C-H	0.0	0.0	-1.0454	-1.0454	7	0	0	62	1	5	7
D-E	-34.5548	-52.4569	-216.82	-303.8317	75	10	11	7894	4	19	34
D-F	-4.1757	-28.4341	-206.351	-238.9608	69	6	11	7497	4	20	33
D-H	0.0	0.0	-5.4839	-5.4839	8	0	0	423	0	2	1
D-I	-3.0392	-30.3845	7.6976	-25.7261	16	12	0	1434	2	5	5
E-F	-16.4447	-49.1581	-228.213	-293.8157	75	30	12	8869	4	19	32
E-H	0.0	0.0	-0.0255	-0.0255	6	0	0	9	0	1	1
E-I	0.0	0.0	-0.0127	-0.0127	2	0	0	3	0	0	0
F-G	-8.3259	-36.1167	-10.8757	-55.3183	13	1	0	351	4	6	5
F-H	0.0	-2.246	-1.5301	-3.776	8	0	0	98	0	4	4
F-I	0.0	0.0	-0.0773	-0.0773	5	0	0	28	0	0	0
G-H	-8.7213	-45.8213	-200.808	-255.3506	69	5	10	7344	4	19	32
G-I	-6.0641	-38.7479	-191.02	-235.832	69	4	10	7105	4	20	33
H-I	-14.7542	-43.4477	-203.339	-261.5409	71	10	11	7687	4	19	30

Interface residues

• A-B: ALA102A, ALA105A, ALA106A, ALA107A, ALA110A, ALA21B, ALA36B, ALA98A, ARG115A, ARG23B, ASN100A, ASN17B, ASN19B, ASP34B, ASP37B, CYS99A, GLN111A, GLU118A, GLU124A, GLU124B, GLU129B, GLU20B, GLU32A, GLU32B, GLY101A, GLY113A, GLY121A, GLY121B, GLY122B, GLY96A, HIS24A, HIS24B, ILE120A, ILE120B, ILE35B, ILE90A, LEU112A, LEU119A, LEU119B, LEU29B, LYS104A, LYS108A, LYS117A, LYS117B, LYS128A, LYS128B, LYS27A, LYS27B, LYS28A, LYS28B, LYS86A, PHE109A, PHE114A, PRO18B, PRO97A, PRO97B, SER30A, SER30B, THR103A, THR33B, THR92A, TRP126B, TRP95A, TYR125A, TYR125B, TYR22B, TYR25B, TYR31A, VAL116A
• A-C: ALA102C, ALA105C, ALA106C, ALA107C, ALA110C, ALA16A, ALA21A, ALA36A, ALA98C, ARG115C, ARG23A, ASN100C, ASN17A, ASN19A, ASP34A, ASP37A, CYS94C, CYS99C, GLN111C, GLU118C, GLU124A, GLU124C, GLU129A, GLU14A, GLU20A, GLU32A, GLU32C, GLY101C, GLY113C, GLY121A, GLY121C, GLY48C, GLY96C, HIS24A, HIS24C, ILE120A, ILE120C, ILE35A, ILE49C, ILE90C, ILE91C, LEU112C, LEU119A, LEU119C, LEU29A, LEU29C, LEU38A, LYS104C, LYS108C, LYS117A, LYS117C, LYS128A, LYS128C, LYS27A, LYS27C, LYS28A, LYS28C, LYS86C, LYS88C, PHE109C, PHE114C, PRO15A, PRO18A, PRO97A, PRO97C, SER30A, SER30C, THR103C, THR33A, THR33C, THR92C, TRP126A, TRP95C, TYR125A, TYR125C, TYR22A, TYR25A, TYR31C, TYR46C, VAL116C, VAL89C
• A-E: ARG115A, ARG23A, GLU87E, SER30A, TYR22A, TYR46E
• B-C: ALA102B, ALA105B, ALA106B, ALA107B, ALA110B, ALA16C, ALA21C, ALA36C, ALA98B, ARG115B, ARG23C, ASN100B, ASN17C, ASN19C, ASP34C, ASP37C, CYS94B, CYS99B, GLN111B, GLU118B, GLU124B, GLU124C, GLU129C, GLU20C, GLU32B, GLU32C, GLY101B, GLY113B, GLY121B, GLY121C, GLY96B, HIS24B, HIS24C, ILE120B, ILE120C, ILE35C, ILE90B, ILE91B, LEU112B, LEU119B, LEU119C, LEU29B, LEU29C, LYS104B, LYS108B, LYS117B, LYS117C, LYS128B, LYS128C, LYS27B, LYS27C, LYS28B, LYS28C, LYS86B, PHE109B, PHE114B, PRO18C, PRO97B, PRO97C, SER30B, SER30C, THR103B, THR33B, THR33C, THR92B, TRP126C, TRP95B, TYR125B, TYR125C, TYR22C, TYR25C, TYR31B, VAL116B, VAL89B
• B-E: ASN17B, GLU20B, GLU47E, GLU87E, LYS88E
• C-D: ALA107D, ALA110D, ARG83C, ASP79C, GLN111D, GLU78C, GLU78D, GLU87C, LEU112D, LEU84C, LYS82C, LYS86C, PHE114C, THR81C
• C-E: ARG115E, ARG23E, ARG83C, ASN19E, ASN77C, ASP79C, GLN111C, GLU20E, GLU78C, HIS24E, LEU112C, LEU29E, LYS27E, LYS82C, LYS86C, PHE114C, PRO18E, SER30E, THR80C, THR81C, TYR22E, TYR25E
• C-F: GLN111C, PRO15F
• C-H: GLU47H, GLU58C, GLU87H, LYS61C, LYS75C, LYS88H, SER85H
• D-E: ALA102D, ALA105D, ALA106D, ALA107D, ALA110D, ALA16E, ALA21E, ALA36E, ALA98D, ARG115D, ARG23E, ASN100D, ASN17E, ASN19E, ASP34E, ASP37E, CYS94D, CYS99D, GLN111D, GLU118D, GLU124D, GLU124E, GLU129E, GLU20E, GLU32D, GLU32E, GLY101D, GLY113D, GLY121D, GLY121E, GLY122E, GLY96D, HIS24D, HIS24E, ILE120D, ILE120E, ILE35E, ILE90D, ILE91D, LEU112D, LEU119D, LEU119E, LEU29E, LEU38E, LYS104D, LYS108D, LYS117D, LYS117E, LYS128D, LYS128E, LYS27D, LYS27E, LYS28D, LYS28E, LYS86D, PHE109D, PHE114D, PRO18E, PRO97D, PRO97E, SER30D, SER30E, THR103D, THR33D, THR33E, THR92D, TRP126E, TRP95D, TYR125D, TYR125E, TYR22E, TYR25E, TYR31D, VAL116D, VAL89D
• D-F: ALA102F, ALA105F, ALA106F, ALA107F, ALA110F, ALA21D, ALA36D, ALA98F, ARG115F, ARG23D, ASN100F, ASN17D, ASN19D, ASP34D, ASP37D, CYS99F, GLN111F, GLU118F, GLU124D, GLU124F, GLU129D, GLU20D, GLU32D, GLU32F, GLY101F, GLY113F, GLY121D, GLY121F, GLY96F, HIS24D, HIS24F, ILE120D, ILE120F, ILE35D, ILE90F, LEU112F, LEU119D, LEU119F, LEU29D, LYS104F, LYS108F, LYS117D, LYS117F, LYS128D, LYS128F, LYS27D, LYS27F, LYS28D, LYS28F, LYS86F, PHE109F, PHE114F, PRO18D, PRO97D, PRO97F, SER30D, SER30F, THR103F, THR33D, THR33F, THR92F, TRP126D, TRP95F, TYR125D, TYR125F, TYR22D, TYR25D, TYR31F, VAL116F
• D-H: ARG23D, ARG23H, ASN17D, ASN19D, GLU20D, LYS27H, PRO18D, TYR31H
• D-I: ALA16I, ALA21I, ARG23D, ARG23I, ASN17D, ASN17I, ASN19D, ASN19I, GLU20D, GLU20I, HIS24I, LYS27D, LYS27I, PRO18I, TYR22D, TYR22I
• E-F: ALA102E, ALA105E, ALA106E, ALA107E, ALA110E, ALA16F, ALA21F, ALA36F, ALA98E, ARG115E, ARG23F, ASN100E, ASN17F, ASN19F, ASP34F, ASP37F, CYS99E, GLN111E, GLU118E, GLU124E, GLU129F, GLU20F, GLU32E, GLU32F, GLY101E, GLY113E, GLY121F, GLY96E, HIS24E, HIS24F, ILE120E, ILE120F, ILE35F, ILE49E, ILE90E, ILE91E, LEU112E, LEU119E, LEU119F, LEU29E, LEU29F, LEU38F, LYS104E, LYS108E, LYS117E, LYS117F, LYS128E, LYS128F, LYS27E, LYS27F, LYS28E, LYS28F, LYS86E, PHE109E, PHE114E, PRO15F, PRO18F, PRO97E, PRO97F, SER30E, SER30F, THR103E, THR33E, THR33F, THR92E, TRP126F, TRP95E, TYR125E, TYR125F, TYR22F, TYR25F, TYR31E, TYR46E, VAL116E, VAL89E
• E-H: ALA16E, ARG23E, GLN111H, GLU78H, LEU112H, LYS86H
• E-I: ASN19I, GLU20E
• F-G: ARG23G, ASN17G, ASN19G, ASN77F, ASP79F, GLU20G, GLU78F, GLY113F, LEU112F, LYS27G, LYS82F, LYS86F, THR81F
• F-H: ARG115F, ARG23H, ASN17H, ASN19H, GLU20H, GLU87F, LYS86F, PRO18H
• F-I: ARG23I, ASN17I, GLN111F, LYS27F, LYS27I
• G-H: ALA102G, ALA105G, ALA106G, ALA107G, ALA110G, ALA21H, ALA36H, ALA98G, ARG115G, ARG23H, ASN100G, ASN17H, ASN19H, ASP34H, ASP37H, CYS99G, GLN111G, GLU118G, GLU124G, GLU124H, GLU129H, GLU20H, GLU32G, GLU32H, GLY101G, GLY113G, GLY121G, GLY121H, GLY122H, GLY96G, HIS24G, HIS24H, ILE120G, ILE120H, ILE35H, ILE90G, LEU112G, LEU119G, LEU119H, LEU29H, LYS104G, LYS108G, LYS117G, LYS117H, LYS128G, LYS128H, LYS27G, LYS27H, LYS28G, LYS28H, LYS86G, PHE109G, PHE114G, PRO18H, PRO97G, PRO97H, SER30G, SER30H, THR103G, THR33H, THR92G, TRP126H, TRP95G, TYR125G, TYR125H, TYR22H, TYR25H, TYR31G, VAL116G
• G-I: ALA102I, ALA105I, ALA106I, ALA107I, ALA110I, ALA21G, ALA36G, ALA98I, ARG115I, ARG23G, ASN100I, ASN17G, ASN19G, ASP34G, ASP37G, CYS99I, GLN111I, GLU118I, GLU124G, GLU124I, GLU129G, GLU20G, GLU32G, GLU32I, GLY101I, GLY113I, GLY121G, GLY121I, GLY96I, HIS24G, HIS24I, ILE120G, ILE120I, ILE35G, ILE90I, ILE91I, LEU112I, LEU119G, LEU29G, LEU38G, LYS104I, LYS108I, LYS117I, LYS128G, LYS128I, LYS27G, LYS27I, LYS28G, LYS28I, LYS86I, PHE109I, PHE114I, PRO18G, PRO97G, PRO97I, SER30G, SER30I, THR103I, THR33G, THR92I, TRP126G, TRP95I, TYR125G, TYR125I, TYR22G, TYR25G, TYR31I, VAL116I, VAL89I
• H-I: ALA102H, ALA105H, ALA106H, ALA107H, ALA110H, ALA16I, ALA21I, ALA36I, ALA98H, ARG115H, ARG23I, ASN100H, ASN17I, ASN19I, ASP34I, ASP37I, CYS94H, CYS99H, GLN111H, GLU118H, GLU124H, GLU129I, GLU20I, GLU32H, GLU32I, GLY101H, GLY113H, GLY121H, GLY121I, GLY96H, HIS24H, HIS24I, ILE120H, ILE120I, ILE35I, ILE90H, ILE91H, LEU112H, LEU119H, LEU119I, LEU29H, LEU29I, LYS104H, LYS108H, LYS117H, LYS117I, LYS128H, LYS128I, LYS27H, LYS27I, LYS28H, LYS28I, LYS86H, PHE109H, PHE114H, PRO18I, PRO97H, PRO97I, SER30H, SER30I, THR103H, THR33H, THR33I, THR92H, TRP126I, TYR125H, TYR125I, TYR22I, TYR25I, TYR31H, VAL116H