1NEC

nitroreductase from enterobacter cloacae

• Total interactions analyzed: 6
• Total true interactions: 6
• Strongest Interaction:
  • Chains: C-D
  • Int. Res.: 282
  • Norm. En. per Res.: -4.5664
• 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	-220.4124	-93.3663	-957.625	-1271.4037	287	30	25	38085	4	54	50
A-C	0.0	0.0	-0.2048	-0.2048	9	0	0	62	0	1	2
A-D	-3.7461	-41.1766	-4.7388	-49.6615	14	2	0	430	2	15	16
B-C	0.0	0.0	-0.1159	-0.1159	4	0	0	19	0	0	1
B-D	0.0	-4.0949	-13.5751	-17.67	17	0	0	778	0	5	2
C-D	-220.0996	-94.0015	-973.633	-1287.7341	282	37	25	38310	5	54	50

Interface residues

• A-B: ALA103A, ALA103B, ALA112A, ALA112B, ALA139A, ALA139B, ALA155A, ALA155B, ALA168A, ALA200A, ALA200B, ALA26A, ALA26B, ALA50A, ALA50B, ALA6A, ALA6B, ALA85A, ALA85B, ARG106A, ARG106B, ARG120A, ARG120B, ARG206A, ARG206B, ARG58A, ARG58B, ARG96A, ARG96B, ARG9A, ARG9B, ASN108A, ASN108B, ASN116A, ASN116B, ASN145A, ASN145B, ASN148A, ASN148B, ASN199A, ASN199B, ASN41A, ASN41B, ASN70A, ASN70B, ASP104A, ASP104B, ASP133A, ASP133B, ASP135A, ASP135B, ASP167A, ASP1A, ASP1A5, ASP1B, ASP99A, ASP99B, CB8.86629-18.36684, CYS216A, CYS216B, CYS84A, CYS84B, GLN100A, GLN100B, GLN136A, GLN136B, GLN141A, GLN141B, GLN34A, GLN34B, GLN43A, GLN43B, GLU101A, GLU101B, GLU102A, GLU102B, GLU164A, GLU164B, GLU174B, GLU215A, GLU215B, GLU24A, GLU24B, GLU25A, GLU25B, GLU27A, GLU27B, GLU53A, GLU53B, GLU54A, GLU54B, GLU95A, GLU95B, GLY105A, GLY105B, GLY119B, GLY147A, GLY147B, GLY152A, GLY152B, GLY154A, GLY154B, GLY157A, GLY157B, GLY165A, GLY165B, GLY55A, GLY55B, GLY65A, HIS10A, HIS10B, HIS127A, HIS127B, HIS46A, HIS46B, HIS79A, HIS79B, ILE163A, ILE163B, ILE212A, ILE212B, ILE29A, ILE29B, ILE2A, ILE2B, ILE3A, ILE3B, ILE48A, ILE48B, LEU131A, LEU131B, LEU144A, LEU144B, LEU150A, LEU150B, LEU151A, LEU151B, LEU158A, LEU158B, LEU177A, LEU177B, LEU185A, LEU185B, LEU202A, LEU202B, LEU207A, LEU207B, LEU209A, LEU209B, LEU32A, LEU32B, LEU33A, LEU33B, LEU7A, LEU7B, LEU94A, LEU94B, LYS13A, LYS13B, LYS140A, LYS140B, LYS180A, LYS180B, LYS204A, LYS204B, LYS28A, LYS28B, LYS30A, LYS30B, LYS56A, LYS56B, LYS86A, LYS86B, LYS8A, LYS8B, MET126A, MET126B, MET138A, MET138B, MET156A, MET156B, MET89A, PHE107A, PHE107B, PHE123A, PHE123B, PHE149A, PHE149B, PHE166A, PHE166B, PHE175A, PHE175B, PHE182A, PHE182B, PHE198A, PHE198B, PHE47A, PHE47B, PHE69A, PHE69B, PRO162A, PRO162B, PRO203A, PRO203B, PRO208A, PRO208B, PRO37A, PRO37B, PRO44A, PRO44B, SER11A, SER11B, SER205A, SER205B, SER210A, SER210B, SER36A, SER36B, SER38A, SER38B, SER39A, SER39B, SER42A, SER42B, SER4A, SER4B, SER51A, SER51B, THR109A, THR183B, THR201A, THR201B, THR211A, THR211B, THR214A, THR214B, THR31A, THR31B, THR40A, THR40B, THR52A, THR52B, THR66A, THR66B, TRP137A, TRP137B, TRP45A, TRP45B, TRP93A, TRP93B, TYR122A, TYR122B, TYR143A, TYR143B, TYR35A, TYR35B, TYR67A, TYR67B, VAL142A, VAL142B, VAL146A, VAL146B, VAL153A, VAL153B, VAL161A, VAL186A, VAL186B, VAL188A, VAL188B, VAL213A, VAL213B, VAL49A, VAL49B, VAL59A, VAL59B, VAL5A, VAL5B, VAL80A, VAL80B, VAL81A, VAL81B, VAL82A, VAL82B, VAL97A, VAL97B, VAL98A, VAL98B
• A-C: ALA23A, GLU215C, GLU27A, LYS30A, SER210C, SER51A, THR211C, THR214C, THR52A
• A-D: ALA92D, ARG58A, ARG96D, ASP90D, GLU179D, GLU53A, GLU54A, GLU95D, GLY55A, LYS180A, LYS180D, PHE175A, THR52A, TRP93D
• B-C: CYS216C, GLU215B, SER210B, THR214C
• B-D: ARG58D, CYS216B, GLU173D, GLU174D, GLU179D, GLU215B, GLU54D, GLY176D, LEU209B, LYS180D, LYS61D, PHE175D, PRO208B, SER210B, THR211B, THR214B, VAL213B
• C-D: ALA103C, ALA103D, ALA112C, ALA112D, ALA139C, ALA139D, ALA155C, ALA155D, ALA168C, ALA200C, ALA200D, ALA26C, ALA26D, ALA50C, ALA50D, ALA57D, ALA6C, ALA6D, ALA85D, ARG106C, ARG106D, ARG120C, ARG120D, ARG206C, ARG206D, ARG58C, ARG58D, ARG96C, ARG96D, ARG9C, ARG9D, ASN108C, ASN108D, ASN116C, ASN116D, ASN145C, ASN145D, ASN148C, ASN148D, ASN199C, ASN199D, ASN41C, ASN41D, ASN70C, ASN70D, ASP104C, ASP104D, ASP133C, ASP133D, ASP135C, ASP135D, ASP167C, ASP1C, ASP1D, ASP99C, ASP99D, CYS216C, CYS216D, CYS84C, CYS84D, GLN100C, GLN100D, GLN136C, GLN136D, GLN141C, GLN141D, GLN34C, GLN34D, GLN43C, GLN43D, GLU101C, GLU101D, GLU102C, GLU102D, GLU164C, GLU164D, GLU174D, GLU215C, GLU215D, GLU24C, GLU24D, GLU25C, GLU25D, GLU27C, GLU27D, GLU53C, GLU53D, GLU54C, GLU54D, GLU95C, GLU95D, GLY105C, GLY105D, GLY119D, GLY147C, GLY147D, GLY152C, GLY152D, GLY154C, GLY154D, GLY157C, GLY157D, GLY165C, GLY165D, GLY55C, GLY55D, GLY65C, HIS10C, HIS10D, HIS127C, HIS127D, HIS46C, HIS46D, HIS79C, HIS79D, ILE163C, ILE163D, ILE212C, ILE212D, ILE29C, ILE29D, ILE2C, ILE2D, ILE3C, ILE3D, ILE48C, ILE48D, LEU131C, LEU131D, LEU144C, LEU144D, LEU150C, LEU150D, LEU151C, LEU151D, LEU158C, LEU158D, LEU177C, LEU177D, LEU185C, LEU185D, LEU202C, LEU202D, LEU207C, LEU207D, LEU209C, LEU209D, LEU32C, LEU32D, LEU33C, LEU33D, LEU7C, LEU7D, LEU94C, LEU94D, LYS13C, LYS13D, LYS140C, LYS140D, LYS180C, LYS180D, LYS204C, LYS204D, LYS28C, LYS28D, LYS30C, LYS30D, LYS56C, LYS56D, LYS86C, LYS86D, LYS8C, LYS8D, MET126C, MET126D, MET138C, MET138D, MET156C, MET156D, PHE107C, PHE107D, PHE123C, PHE123D, PHE149C, PHE149D, PHE166C, PHE166D, PHE175C, PHE175D, PHE182C, PHE182D, PHE198C, PHE198D, PHE47C, PHE47D, PHE69C, PHE69D, PRO162C, PRO162D, PRO203C, PRO203D, PRO208C, PRO208D, PRO37C, PRO37D, PRO44C, PRO44D, SER11C, SER11D, SER205C, SER205D, SER210C, SER210D, SER36C, SER36D, SER38C, SER38D, SER39C, SER39D, SER42C, SER42D, SER4C, SER4D, SER51C, SER51D, THR201C, THR201D, THR211C, THR211D, THR214C, THR214D, THR31C, THR31D, THR40C, THR40D, THR52C, THR52D, THR66C, THR66D, TRP137C, TRP137D, TRP45C, TRP45D, TRP93C, TRP93D, TYR122C, TYR122D, TYR143C, TYR143D, TYR35C, TYR35D, TYR67C, TYR67D, VAL142C, VAL142D, VAL146C, VAL146D, VAL153C, VAL153D, VAL161C, VAL186C, VAL186D, VAL188C, VAL188D, VAL213C, VAL213D, VAL49C, VAL49D, VAL59C, VAL59D, VAL5C, VAL5D, VAL80C, VAL80D, VAL81C, VAL81D, VAL82C, VAL82D, VAL97C, VAL97D, VAL98C, VAL98D