3HNP

crystal structure of an oxidoreductase from bacillus cereus. northeast structural genomics consortium target id bcr251

• Total interactions analyzed: 15
• Total true interactions: 14
• Strongest Interaction:
  • Chains: D-F
  • Int. Res.: 159
  • Norm. En. per Res.: -3.9103
• Hub Node: A(5)

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	0.0	0.0	-0.0029	-0.0029	4	0	0	4	0	0	0
A-C	-43.2473	-58.7448	-120.069	-222.0611	66	15	1	5387	3	25	23
A-D	-23.7974	-52.1076	-111.962	-187.867	62	15	1	5035	3	21	21
A-E	-80.0184	-100.3674	-434.695	-615.0808	161	30	5	18883	13	73	76
A-F	0.0	0.0	-2.6324	-2.6324	10	0	0	260	0	6	4
B-C	-71.9021	-105.0941	-430.925	-607.9212	167	32	5	18691	15	73	75
B-D	0.0	0.0	-3.9849	-3.9849	11	0	0	279	0	5	4
B-E	-21.1498	-40.2003	-110.424	-171.7741	65	17	1	5035	3	23	20
B-F	-39.2655	-50.8853	-106.294	-196.4448	64	22	1	5074	3	23	21
C-D	-14.7091	-56.7944	-113.36	-184.8635	66	13	1	5123	4	24	21
C-E	0.0	0.0	-2.328	-2.328	10	0	0	222	0	6	3
C-F	0.0	0.0	-0.0003	-0.0003	2	0	0	1	0	0	0
D-F	-112.4136	-107.4	-401.923	-621.7366	159	45	5	18571	16	72	76
E-F	-42.8994	-52.5127	-106.574	-201.9861	63	18	1	5026	3	21	20

Interface residues

• A-B: LYS232A, LYS232B, MET275A, MET275B
• A-C: ALA231A, ALA260A, ALA267A, ALA280C, ALA285C, ARG157A, ARG16A, ASN256A, ASN284C, ASN286C, ASP154A, ASP233A, ASP252A, ASP257A, ASP272A, ASP288C, GLN136C, GLN140C, GLN253A, GLN254A, GLN293A, GLN293C, GLU139C, GLU251A, GLU255A, GLU271A, GLU291C, GLY141C, GLY250A, GLY261A, GLY268A, GLY270A, GLY278C, GLY287C, ILE262A, ILE279C, ILE290C, ILE294C, LEU143C, LEU258A, LYS259A, LYS281C, LYS292C, LYS295A, LYS295C, MET263A, MET275A, MET275C, PHE142C, PHE156A, PHE269A, PRO274A, PRO274C, PRO297C, SER160A, SER266A, SER273A, SER273C, THR296C, TRP289C, TYR155A, TYR276A, TYR277A, TYR277C, TYR282C, VAL137C
• A-D: ALA231D, ALA260D, ALA267D, ALA280A, ALA285A, ARG157D, ARG16D, ASN256D, ASN284A, ASN286A, ASP154D, ASP233D, ASP252D, ASP257D, ASP272D, ASP288A, GLN136A, GLN140A, GLN253D, GLN254D, GLN293A, GLU139A, GLU251D, GLU255D, GLU271D, GLU291A, GLY141A, GLY250D, GLY261D, GLY268D, GLY270D, GLY278A, GLY287A, ILE262D, ILE279A, ILE290A, ILE294A, LEU143A, LYS12D, LYS232D, LYS259D, LYS292A, LYS295A, LYS295D, MET263D, MET275A, MET275D, PHE142A, PHE156D, PHE269D, PRO274A, PRO274D, SER266D, SER273A, SER273D, TRP289A, TYR155D, TYR276D, TYR277A, TYR277D, TYR282A, VAL137A
• A-E: ALA205A, ALA205E, ALA231A, ALA231E, ALA280A, ALA280E, ARG157A, ARG157E, ARG198A, ARG198E, ARG283A, ARG283E, ASN191A, ASN199A, ASN199E, ASN200A, ASN200E, ASN208A, ASN208E, ASN218A, ASN218E, ASN227A, ASN227E, ASN243A, ASN243E, ASP145A, ASP145E, ASP154A, ASP154E, ASP196A, ASP196E, ASP207E, ASP211A, ASP211E, ASP233A, ASP233E, GLN219A, GLN219E, GLU148A, GLU148E, GLU150A, GLU150E, GLU201A, GLU201E, GLU203A, GLU203E, GLU291A, GLU291E, GLY159A, GLY159E, GLY204A, GLY204E, GLY213A, GLY213E, GLY217A, GLY217E, GLY241A, GLY241E, GLY244A, GLY244E, GLY287A, GLY287E, HIS152A, HIS152E, HIS215A, HIS215E, HIS228A, HIS228E, HIS240A, HIS240E, ILE146A, ILE146E, ILE147A, ILE147E, ILE149A, ILE149E, ILE197A, ILE197E, ILE222A, ILE222E, ILE229A, ILE229E, ILE238A, ILE238E, ILE247A, ILE247E, ILE279A, ILE279E, LEU143A, LEU143E, LEU214A, LEU214E, LEU220A, LEU220E, LYS221A, LYS221E, LYS223A, LYS223E, LYS225A, LYS225E, LYS232A, LYS232E, LYS281A, LYS281E, LYS345A, LYS345E, PHE156A, PHE156E, PHE210A, PHE210E, PHE246A, PHE246E, PRO158A, PRO158E, PRO235A, PRO235E, PRO339A, PRO339E, PRO341A, PRO341E, SER245A, SER245E, SER340A, SER340E, SER342A, SER342E, THR192A, THR192E, THR194A, THR194E, THR226E, THR242A, THR242E, TRP289A, TRP289E, TYR195A, TYR195E, TYR209A, TYR209E, TYR216A, TYR216E, TYR234A, TYR234E, TYR249A, TYR249E, TYR282A, TYR282E, TYR344A, TYR344E, VAL193A, VAL193E, VAL202A, VAL202E, VAL212A, VAL212E, VAL230A, VAL230E, VAL239A, VAL239E, VAL343A, VAL343E
• A-F: ARG283A, ARG283F, GLU291A, GLU291F, GLY287A, GLY287F, LYS281A, LYS281F, TRP289A, TRP289F
• B-C: ALA205B, ALA205C, ALA231B, ALA231C, ALA280B, ALA280C, ARG157B, ARG157C, ARG198B, ARG198C, ARG283B, ARG283C, ASN191C, ASN199B, ASN199C, ASN200B, ASN200C, ASN208B, ASN208C, ASN218B, ASN218C, ASN227B, ASN227C, ASN243B, ASN243C, ASP145B, ASP145C, ASP154B, ASP154C, ASP196B, ASP196C, ASP211B, ASP211C, ASP233B, ASP233C, GLN219B, GLN219C, GLU148B, GLU148C, GLU150B, GLU150C, GLU201B, GLU201C, GLU203B, GLU203C, GLU291B, GLU291C, GLY144B, GLY159B, GLY159C, GLY204B, GLY204C, GLY213B, GLY213C, GLY217B, GLY217C, GLY241B, GLY241C, GLY244B, GLY244C, GLY287B, GLY287C, HIS152B, HIS152C, HIS215B, HIS215C, HIS228B, HIS228C, HIS240B, HIS240C, ILE146B, ILE146C, ILE147B, ILE147C, ILE149B, ILE149C, ILE197B, ILE197C, ILE222B, ILE222C, ILE229B, ILE229C, ILE238B, ILE238C, ILE247B, ILE247C, ILE279B, ILE279C, ILE290B, ILE290C, LEU143B, LEU143C, LEU214B, LEU214C, LEU220B, LEU220C, LEU224B, LEU224C, LYS221B, LYS221C, LYS223B, LYS223C, LYS225B, LYS225C, LYS232B, LYS232C, LYS248B, LYS281B, LYS281C, LYS345B, LYS345C, PHE156B, PHE156C, PHE210B, PHE210C, PHE246B, PHE246C, PRO158B, PRO158C, PRO235B, PRO235C, PRO339B, PRO339C, PRO341B, PRO341C, SER245B, SER245C, SER340B, SER340C, SER342B, SER342C, THR192B, THR192C, THR194B, THR194C, THR226C, THR242B, THR242C, TRP289B, TRP289C, TYR155B, TYR195B, TYR195C, TYR209B, TYR209C, TYR216B, TYR216C, TYR234B, TYR234C, TYR249B, TYR249C, TYR282B, TYR282C, TYR344B, TYR344C, VAL193B, VAL193C, VAL202B, VAL202C, VAL212B, VAL212C, VAL230B, VAL230C, VAL239B, VAL239C, VAL343B, VAL343C
• B-D: ARG283B, ARG283D, ASP288D, GLU291B, GLU291D, GLY287B, GLY287D, LYS281B, LYS281D, TRP289B, TRP289D
• B-E: ALA231B, ALA260B, ALA267B, ALA280E, ALA285E, ARG157B, ARG16B, ARG283E, ASN256B, ASN284E, ASN286E, ASP154B, ASP233B, ASP252B, ASP257B, ASP272B, ASP288E, GLN136E, GLN140E, GLN253B, GLN254B, GLN293B, GLN293E, GLU139E, GLU251B, GLU255B, GLU271B, GLU291E, GLY141E, GLY250B, GLY261B, GLY268B, GLY270B, GLY278E, GLY287E, ILE262B, ILE279E, ILE290E, ILE294E, LEU143E, LYS259B, LYS281E, LYS292E, LYS295B, LYS295E, MET263B, MET275B, MET275E, PHE142E, PHE156B, PHE269B, PRO274B, PRO274E, PRO297E, SER160B, SER266B, SER273B, SER273E, TRP289E, TYR155B, TYR276B, TYR277B, TYR277E, TYR282E, VAL137E
• B-F: ALA231F, ALA260F, ALA267F, ALA280B, ALA285B, ARG157F, ARG16F, ASN256F, ASN284B, ASN286B, ASP154F, ASP233F, ASP252F, ASP257F, ASP272F, ASP288B, GLN136B, GLN140B, GLN253F, GLN254F, GLN293B, GLU139B, GLU251F, GLU255F, GLU271F, GLU291B, GLY141B, GLY250F, GLY261F, GLY268F, GLY270F, GLY278B, GLY287B, ILE262F, ILE279B, ILE290B, ILE294B, LEU143B, LYS232F, LYS259F, LYS281B, LYS292B, LYS295B, LYS295F, MET263F, MET275B, MET275F, PHE142B, PHE156F, PHE269F, PRO274B, PRO274F, SER160F, SER266F, SER273B, SER273F, TRP289B, TYR155F, TYR17F, TYR276F, TYR277B, TYR277F, TYR282B, VAL137B
• C-D: ALA231C, ALA260C, ALA267C, ALA280D, ALA285D, ARG157C, ARG16C, ASN256C, ASN284D, ASN286D, ASP154C, ASP233C, ASP252C, ASP257C, ASP272C, ASP288D, GLN136D, GLN140D, GLN253C, GLN254C, GLN293C, GLN293D, GLU139D, GLU251C, GLU255C, GLU271C, GLU291D, GLY141D, GLY250C, GLY261C, GLY268C, GLY270C, GLY278D, GLY287D, ILE262C, ILE279D, ILE290D, ILE294D, LEU143D, LYS259C, LYS281D, LYS292D, LYS295C, LYS295D, MET263C, MET275C, MET275D, PHE142D, PHE156C, PHE269C, PRO158C, PRO274C, PRO274D, PRO297D, SER160C, SER266C, SER273C, SER273D, THR296D, TRP289D, TYR155C, TYR276C, TYR277C, TYR277D, TYR282D, VAL137D
• C-E: ARG283C, ARG283E, GLU291C, GLU291E, GLY287C, GLY287E, LYS281C, LYS281E, TRP289C, TRP289E
• C-F: LYS232F, MET275C
• D-F: ALA205F, ALA231D, ALA231F, ALA280D, ALA280F, ALA338F, ARG157D, ARG157F, ARG198D, ARG198F, ARG283D, ARG283F, ASN191F, ASN199D, ASN199F, ASN200D, ASN200F, ASN208F, ASN218D, ASN218F, ASN227D, ASN227F, ASN243D, ASN243F, ASP145D, ASP145F, ASP154D, ASP154F, ASP196D, ASP196F, ASP211D, ASP211F, ASP233D, ASP233F, GLN219D, GLN219F, GLU148D, GLU148F, GLU150D, GLU150F, GLU201D, GLU201F, GLU203D, GLU203F, GLU291D, GLU291F, GLY159D, GLY204D, GLY204F, GLY213D, GLY213F, GLY217D, GLY217F, GLY241D, GLY241F, GLY244D, GLY244F, HIS152D, HIS152F, HIS215D, HIS215F, HIS228D, HIS228F, HIS240D, HIS240F, ILE146D, ILE146F, ILE147D, ILE147F, ILE149D, ILE149F, ILE197D, ILE197F, ILE222D, ILE222F, ILE229D, ILE229F, ILE238D, ILE238F, ILE247D, ILE247F, ILE279D, ILE279F, ILE290D, LEU143D, LEU143F, LEU214D, LEU214F, LEU220D, LEU220F, LEU224D, LEU224F, LYS221D, LYS221F, LYS223D, LYS223F, LYS225D, LYS225F, LYS232D, LYS232F, LYS281D, LYS281F, LYS345D, LYS345F, PHE156D, PHE156F, PHE210D, PHE210F, PHE246D, PHE246F, PRO158D, PRO158F, PRO235D, PRO235F, PRO339D, PRO339F, PRO341D, PRO341F, SER245D, SER245F, SER340D, SER340F, SER342D, SER342F, THR192D, THR192F, THR194D, THR194F, THR226F, THR242D, THR242F, TRP289D, TRP289F, TYR195D, TYR195F, TYR209D, TYR209F, TYR216D, TYR216F, TYR234D, TYR234F, TYR249D, TYR249F, TYR282D, TYR282F, TYR344D, TYR344F, VAL193D, VAL193F, VAL202D, VAL202F, VAL212D, VAL212F, VAL230D, VAL230F, VAL239D, VAL239F, VAL343D, VAL343F
• E-F: ALA231E, ALA260E, ALA267E, ALA280F, ALA285F, ARG157E, ASN256E, ASN284F, ASN286F, ASP154E, ASP233E, ASP252E, ASP257E, ASP272E, ASP288F, GLN136F, GLN140F, GLN253E, GLN254E, GLN293E, GLN293F, GLU139F, GLU251E, GLU255E, GLU271E, GLU291F, GLY141F, GLY250E, GLY261E, GLY268E, GLY270E, GLY278F, GLY287F, ILE262E, ILE279F, ILE290F, ILE294F, LEU143F, LYS232E, LYS259E, LYS292F, LYS295E, LYS295F, MET263E, MET275E, MET275F, PHE142F, PHE156E, PHE269E, PRO274E, PRO274F, SER160E, SER266E, SER273E, SER273F, TRP289F, TYR155E, TYR17E, TYR276E, TYR277E, TYR277F, TYR282F, VAL137F