3NWZ

crystal structure of bh2602 protein from bacillus halodurans with coa, northeast structural genomics consortium target bhr199

• Total interactions analyzed: 6
• Total true interactions: 6
• Strongest Interaction:
  • Chains: B-D
  • Int. Res.: 160
  • Norm. En. per Res.: -3.2928
• 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-B	-13.5591	3.3909	-88.3473	-98.5155	69	20	4	5518	2	9	15
A-C	-64.7699	18.2739	-389.259	-435.755	171	33	25	19589	4	42	31
A-D	-10.3214	-44.22	-52.8644	-107.4058	38	1	0	2206	4	4	7
B-C	-10.9901	-50.3905	-76.6384	-138.0191	45	8	0	2785	4	4	11
B-D	-73.7513	-63.6667	-389.423	-526.841	160	52	18	18163	4	33	23
C-D	-17.2669	16.9269	-92.595	-92.935	66	15	3	5307	0	10	15

Interface residues

• A-B: ALA155A, ALA155B, ARG139A, ARG139B, ARG63A, ASN114A, ASN114B, GLN135A, GLN135B, GLN138A, GLU112A, GLU112B, GLU143A, GLU143B, GLU152B, GLY136A, GLY136B, GLY144A, GLY144B, GLY157A, GLY157B, GLY159A, GLY159B, HIS116A, HIS116B, HIS134A, HIS134B, ILE115A, ILE115B, ILE132A, ILE132B, ILE140A, ILE140B, LEU113A, LEU113B, LYS119A, LYS119B, LYS145A, LYS145B, PHE161A, PHE161B, PRO120A, PRO120B, SER111A, SER111B, SER131A, SER131B, SER160A, SER160B, THR153A, THR153B, THR158A, THR158B, TYR117A, TYR117B, TYR147A, TYR147B, VAL118A, VAL118B, VAL133A, VAL133B, VAL141A, VAL141B, VAL142A, VAL142B, VAL146A, VAL146B, VAL154A, VAL154B
• A-C: ALA108A, ALA155A, ALA155C, ALA21A, ALA21C, ALA38A, ALA38C, ALA45A, ALA45C, ALA49A, ALA49C, ALA87A, ALA87C, ALA93A, ARG16A, ARG16C, ARG42A, ARG42C, ASN114A, ASN114C, ASN22A, ASN22C, ASN75A, ASN75C, ASN76A, ASN76C, ASN79A, ASN79C, ASN99A, ASN99C, ASP12A, ASP12C, ASP27A, ASP27C, ASP34A, ASP34C, ASP91A, ASP91C, GLN40A, GLN40C, GLN96A, GLN96C, GLU112A, GLU112C, GLU15A, GLU15C, GLU23A, GLU24A, GLU24C, GLU25A, GLU25C, GLU41A, GLU41C, GLY157A, GLY157C, GLY159A, GLY159C, GLY35A, GLY35C, GLY71A, GLY71C, GLY83A, GLY83C, GLY84A, GLY84C, GLY95A, GLY95C, HIS116A, HIS116C, HIS82A, HIS82C, ILE10A, ILE10C, ILE115A, ILE115C, ILE32A, ILE32C, ILE54A, ILE54C, ILE85A, ILE85C, LEU113A, LEU113C, LEU164A, LEU164C, LEU18A, LEU18C, LEU29A, LEU29C, LEU36A, LEU36C, LEU37A, LEU37C, LEU48A, LEU48C, LEU51A, LEU51C, LEU73A, LEU73C, LEU78A, LEU78C, LEU89A, LEU89C, LEU90A, LYS13A, LYS13C, LYS26A, LYS26C, LYS39A, LYS39C, PHE161A, PHE161C, PHE162A, PHE162C, PHE17A, PHE17C, PRO120A, PRO120C, PRO72A, PRO72C, PRO77A, PRO77C, SER107A, SER107C, SER111A, SER111C, SER160A, SER160C, SER19A, SER19C, SER30A, SER30C, SER31A, SER31C, SER50A, SER50C, THR110A, THR110C, THR158A, THR158C, THR20A, THR20C, THR46A, THR46C, THR52A, THR52C, THR86A, THR86C, THR88A, THR88C, THR92A, THR92C, TYR117A, TYR117C, TYR44A, TYR44C, TYR47A, TYR47C, VAL109A, VAL109C, VAL118A, VAL118C, VAL11A, VAL11C, VAL28A, VAL28C, VAL33A, VAL33C, VAL74A, VAL74C, VAL81C
• A-D: ARG139A, ARG139D, ASN114A, ASN114D, GLN138A, GLN138D, GLU112A, GLU112D, GLY159A, GLY159D, HIS116A, HIS116D, ILE115D, ILE140A, LEU113A, LEU113D, LEU164A, LEU164D, LYS137A, LYS137D, PHE161A, PHE161D, PHE162A, PHE162D, SER111A, SER111D, SER160A, SER160D, THR110A, THR110D, THR158A, THR158D, VAL109A, VAL109D, VAL141A, VAL141D, VAL163A, VAL163D
• B-C: ARG139B, ARG139C, ARG165B, ARG167B, ASN114B, ASN114C, GLN138B, GLN138C, GLU112B, GLU112C, GLY136B, GLY136C, GLY159B, GLY159C, HIS116B, HIS116C, HIS134C, ILE115B, ILE115C, ILE140B, ILE140C, LEU113B, LEU113C, LEU164B, LEU164C, LYS137B, LYS137C, PHE161B, PHE161C, PHE162B, PHE162C, SER111B, SER111C, SER160B, SER160C, THR110B, THR110C, THR158B, THR158C, VAL109B, VAL109C, VAL141B, VAL141C, VAL163B, VAL163C
• B-D: ALA108B, ALA108D, ALA155B, ALA155D, ALA21B, ALA21D, ALA38B, ALA38D, ALA45B, ALA45D, ALA49B, ALA49D, ALA87B, ALA87D, ARG165B, ARG167B, ARG16D, ARG42D, ARG43B, ASN114B, ASN114D, ASN22B, ASN22D, ASN75B, ASN75D, ASN76B, ASN76D, ASN79B, ASN79D, ASN99B, ASN99D, ASP27B, ASP27D, ASP34B, ASP91B, ASP91D, GLN106B, GLN106D, GLN40B, GLN40D, GLN96B, GLN96D, GLU112B, GLU112D, GLU15D, GLU23B, GLU23D, GLU24B, GLU24D, GLU25B, GLU25D, GLU41B, GLU41D, GLY157B, GLY157D, GLY159B, GLY159D, GLY35B, GLY35D, GLY71B, GLY71D, GLY83B, GLY83D, GLY84B, GLY84D, HIS116B, HIS116D, HIS82B, HIS82D, ILE115B, ILE115D, ILE32B, ILE32D, ILE54B, ILE85B, ILE85D, LEU113B, LEU113D, LEU164B, LEU164D, LEU18B, LEU29B, LEU29D, LEU36B, LEU36D, LEU37B, LEU37D, LEU48B, LEU48D, LEU51B, LEU51D, LEU68D, LEU73B, LEU73D, LEU78B, LEU78D, LEU89B, LEU89D, LYS119D, LYS13D, LYS26B, LYS26D, LYS39B, LYS39D, PHE161B, PHE161D, PHE162B, PHE162D, PHE17B, PHE17D, PRO120B, PRO120D, PRO72B, PRO72D, PRO77B, PRO77D, SER107B, SER107D, SER111B, SER111D, SER160B, SER160D, SER166B, SER19B, SER30B, SER30D, SER31B, SER50B, THR110B, THR110D, THR158B, THR158D, THR20B, THR46B, THR46D, THR52B, THR52D, THR86B, THR86D, THR88B, THR88D, THR92B, THR92D, TYR117B, TYR117D, TYR44B, TYR47B, TYR47D, VAL109B, VAL109D, VAL118B, VAL118D, VAL28B, VAL28D, VAL33B, VAL33D, VAL74B, VAL74D, VAL81B, VAL81D
• C-D: ALA155C, ALA155D, ARG139C, ARG139D, ASN114C, ASN114D, GLN135C, GLN135D, GLU112C, GLU112D, GLU143C, GLU143D, GLU152C, GLY136C, GLY136D, GLY144C, GLY144D, GLY157C, GLY157D, GLY159C, GLY159D, HIS116C, HIS116D, HIS134C, HIS134D, ILE115C, ILE115D, ILE132C, ILE140C, ILE140D, LEU113C, LEU113D, LYS119C, LYS119D, LYS145C, LYS145D, PHE161C, PHE161D, PRO120C, PRO120D, SER111C, SER111D, SER131C, SER131D, SER160C, SER160D, THR153C, THR153D, THR158C, THR158D, TYR117C, TYR117D, TYR147C, TYR147D, VAL118C, VAL118D, VAL133C, VAL133D, VAL141C, VAL141D, VAL142C, VAL142D, VAL146C, VAL146D, VAL154C, VAL154D