2AFA

crystal structure of putative nag isomerase from salmonella typhimurium

• Total interactions analyzed: 15
• Total true interactions: 12
• Strongest Interaction:
  • Chains: A-D
  • Int. Res.: 84
  • Norm. En. per Res.: -2.9373
• 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	-39.5617	-14.8642	-140.813	-195.2389	68	10	1	6084	2	28	29
A-C	-29.906	-16.0102	-134.142	-180.0581	68	9	1	5953	2	27	29
A-D	-12.2562	-29.3791	-205.095	-246.7304	84	5	5	7337	0	38	40
A-F	0.0	16.9281	-4.619	12.3091	22	0	0	306	0	3	8
B-C	-28.5995	-19.5087	-140.54	-188.6483	68	9	1	6056	3	27	29
B-E	0.0	20.3526	-4.9075	15.4451	19	0	0	295	0	3	7
B-F	-13.4347	-26.7511	-194.947	-235.1328	87	6	5	7425	0	39	40
C-D	0.0	17.7109	-6.6392	11.0717	23	0	0	294	0	3	9
C-E	-4.4487	-28.1467	-191.657	-224.2524	84	2	5	7090	0	39	39
D-E	-41.5576	-22.3599	-137.551	-201.4685	70	7	1	5973	3	28	29
D-F	-33.0328	-17.494	-137.11	-187.6368	66	8	1	5844	2	27	27
E-F	-37.6515	-15.1661	-134.11	-186.9277	66	8	1	5850	3	26	28

Interface residues

• A-B: ALA407B, ALA408B, ALA65B, ALA66B, ALA73B, ARG13A, ARG13B, ARG395B, ARG70B, ASN12A, ASN12B, ASN24B, ASP20B, ASP298A, ASP349A, ASP412B, ASP75B, ASP78B, CYS351A, GLN17A, GLN17B, GLN345A, GLU16B, GLU18A, GLU342A, GLY129B, GLY409B, GLY69B, GLY72B, HIS11A, HIS130B, HIS79B, ILE352A, LEU15A, LEU391A, LEU3A, LEU411B, LEU76B, LEU9A, LEU9B, LYS27B, LYS346A, LYS353A, LYS4A, PHE23B, PHE6A, PRO131B, PRO71B, SER10A, SER63B, SER67B, THR127B, THR128B, THR8A, TRP14A, TRP347A, TRP348A, TRP363A, TRP5A, TYR344A, TYR350A, TYR354A, TYR358A, TYR74B, VAL126B, VAL30B, VAL406B, VAL77B
• A-C: ALA407A, ALA408A, ALA65A, ALA66A, ALA73A, ARG13A, ARG13C, ARG395A, ARG70A, ASN12A, ASN12C, ASN24A, ASP20A, ASP298C, ASP349C, ASP412A, ASP75A, ASP78A, CYS351C, GLN17A, GLN17C, GLN345C, GLU16A, GLU18C, GLU342C, GLY129A, GLY409A, GLY69A, GLY72A, HIS11C, HIS130A, HIS79A, ILE352C, LEU15C, LEU391C, LEU3C, LEU411A, LEU76A, LEU9A, LEU9C, LYS27A, LYS346C, LYS353C, LYS4C, PHE23A, PHE6C, PRO131A, PRO71A, SER10C, SER63A, SER67A, THR127A, THR128A, THR8C, TRP14C, TRP347C, TRP348C, TRP363C, TRP5C, TYR344C, TYR350C, TYR354C, TYR358C, TYR74A, VAL126A, VAL30A, VAL406A, VAL77A
• A-D: ALA123A, ALA123D, ALA125A, ALA125D, ALA263A, ALA264A, ALA264D, ALA267A, ALA267D, ALA399A, ALA403A, ALA403D, ALA405A, ALA405D, ALA407A, ALA407D, ALA408A, ALA408D, ARG134A, ARG134D, ARG268A, ARG268D, ASP188A, ASP188D, ASP192A, ASP192D, GLU266A, GLU266D, GLU270A, GLU270D, GLY129A, GLY129D, GLY401A, GLY401D, GLY409A, GLY409D, HIS191A, HIS191D, ILE185A, ILE185D, ILE413A, ILE413D, LEU137A, LEU137D, LEU196A, LEU196D, LEU265A, LEU265D, LEU410A, LEU410D, LYS193A, LYS193D, LYS194A, LYS194D, PHE269A, PHE269D, PRO131A, PRO131D, PRO400A, PRO400D, PRO404A, PRO404D, SER67A, SER67D, THR127A, THR127D, THR128A, THR128D, THR190A, THR190D, THR271A, THR271D, TRP195A, TRP195D, TYR187A, TYR187D, VAL126A, VAL126D, VAL186A, VAL186D, VAL189A, VAL189D, VAL406A, VAL406D
• A-F: ALA267A, ALA267F, ASP336A, ASP336F, ASP337A, ASP337F, GLU266A, GLU266F, LEU334A, LEU334F, LEU3A, LEU3F, LYS4A, LYS4F, PHE269A, PHE269F, THR271F, THR333A, THR333F, THR335A, THR335F, TYR332A
• B-C: ALA407C, ALA408C, ALA65C, ALA66C, ALA73C, ARG13B, ARG13C, ARG395C, ARG70C, ASN12B, ASN12C, ASN24C, ASP20C, ASP298B, ASP349B, ASP412C, ASP75C, ASP78C, CYS351B, GLN17B, GLN17C, GLN345B, GLU16C, GLU18B, GLU342B, GLY129C, GLY409C, GLY69C, GLY72C, HIS11B, HIS130C, HIS79C, ILE352B, LEU15B, LEU391B, LEU3B, LEU411C, LEU76C, LEU9B, LEU9C, LYS27C, LYS346B, LYS353B, LYS4B, PHE23C, PHE6B, PRO131C, PRO71C, SER10B, SER63C, SER67C, THR127C, THR128C, THR8B, TRP14B, TRP347B, TRP348B, TRP363B, TRP5B, TYR344B, TYR350B, TYR354B, TYR358B, TYR74C, VAL126C, VAL30C, VAL406C, VAL77C
• B-E: ALA267B, ALA267E, ASP336B, ASP336E, ASP337B, ASP337E, GLU266B, GLU266E, LEU334B, LEU334E, LEU3B, LEU3E, LYS4B, LYS4E, PHE269B, PHE269E, THR333E, THR335B, THR335E
• B-F: ALA123B, ALA123F, ALA125B, ALA125F, ALA263B, ALA264B, ALA264F, ALA267B, ALA267F, ALA399B, ALA403B, ALA403F, ALA405B, ALA405F, ALA407B, ALA407F, ALA408B, ALA408F, ARG134B, ARG134F, ARG268B, ARG268F, ASP138F, ASP188B, ASP188F, ASP192B, ASP192F, ASP197F, GLU266B, GLU266F, GLU270B, GLU270F, GLY129B, GLY129F, GLY401B, GLY401F, GLY409B, GLY409F, HIS191B, HIS191F, ILE141F, ILE185B, ILE185F, ILE413B, ILE413F, LEU137F, LEU196B, LEU196F, LEU265B, LEU265F, LEU410B, LEU410F, LYS193B, LYS193F, LYS194B, LYS194F, PHE269B, PHE269F, PRO131B, PRO131F, PRO400B, PRO400F, PRO404B, PRO404F, SER124B, SER67B, SER67F, THR127B, THR127F, THR128B, THR128F, THR190B, THR190F, THR271B, THR271F, TRP195B, TRP195F, TYR187B, TYR187F, VAL126B, VAL126F, VAL186B, VAL186F, VAL189B, VAL189F, VAL406B, VAL406F
• C-D: ASP336C, ASP336D, ASP337C, ASP337D, GLU266C, GLU266D, LEU334C, LEU334D, LEU3C, LEU3D, LYS4C, LYS4D, PHE269C, PHE269D, SER338D, THR271C, THR271D, THR333C, THR333D, THR335C, THR335D, TYR332C, TYR332D
• C-E: ALA123C, ALA123E, ALA125C, ALA125E, ALA264C, ALA264E, ALA267C, ALA267E, ALA399E, ALA403C, ALA403E, ALA405C, ALA405E, ALA407C, ALA407E, ALA408C, ALA408E, ARG134C, ARG134E, ARG268C, ARG268E, ASP188C, ASP188E, ASP192C, ASP192E, ASP197C, GLU266C, GLU266E, GLU270C, GLU270E, GLY129C, GLY129E, GLY401C, GLY401E, GLY409C, GLY409E, HIS130C, HIS191C, HIS191E, ILE185C, ILE185E, ILE413C, ILE413E, LEU137C, LEU196C, LEU196E, LEU265C, LEU265E, LEU410C, LEU410E, LYS193C, LYS193E, LYS194C, LYS194E, PHE269C, PHE269E, PRO131C, PRO400C, PRO400E, PRO404C, PRO404E, SER124C, SER67C, SER67E, THR127C, THR127E, THR128C, THR128E, THR190C, THR190E, THR271C, THR271E, TRP195C, TRP195E, TYR187C, TYR187E, VAL126C, VAL126E, VAL186C, VAL186E, VAL189C, VAL189E, VAL406C, VAL406E
• D-E: ALA405E, ALA407E, ALA408E, ALA65E, ALA66E, ALA73E, ARG13D, ARG13E, ARG395E, ARG70E, ASN12D, ASN12E, ASN24E, ASP20E, ASP298D, ASP349D, ASP412E, ASP75E, ASP78E, CYS351D, GLN17D, GLN17E, GLN345D, GLU16E, GLU18D, GLU342D, GLY129E, GLY409E, GLY69E, GLY72E, HIS11D, HIS130E, HIS79E, ILE352D, LEU15D, LEU391D, LEU3D, LEU410E, LEU411E, LEU76E, LEU9D, LEU9E, LYS27E, LYS346D, LYS353D, LYS4D, PHE23E, PHE6D, PRO131E, PRO71E, SER10D, SER63E, SER67E, THR127E, THR128E, THR8D, TRP14D, TRP347D, TRP348D, TRP363D, TRP5D, TYR344D, TYR350D, TYR354D, TYR358D, TYR74E, VAL126E, VAL30E, VAL406E, VAL77E
• D-F: ALA407D, ALA408D, ALA65D, ALA66D, ALA73D, ARG13D, ARG13F, ARG395D, ARG70D, ASN12D, ASN12F, ASN24D, ASP20D, ASP349F, ASP412D, ASP75D, ASP78D, CYS351F, GLN17D, GLN17F, GLN345F, GLU16D, GLU18F, GLU342F, GLY129D, GLY409D, GLY69D, GLY72D, HIS11F, HIS130D, ILE352F, LEU15F, LEU391F, LEU3F, LEU411D, LEU76D, LEU9D, LEU9F, LYS27D, LYS346F, LYS353F, LYS4F, PHE23D, PHE6F, PRO131D, PRO71D, SER10F, SER63D, SER67D, THR127D, THR128D, THR8F, TRP14F, TRP347F, TRP348F, TRP363F, TRP5F, TYR344F, TYR350F, TYR354F, TYR358F, TYR74D, VAL126D, VAL30D, VAL406D, VAL77D
• E-F: ALA407F, ALA408F, ALA65F, ALA66F, ALA73F, ARG13E, ARG13F, ARG395F, ARG70F, ASN12E, ASN12F, ASN24F, ASP20F, ASP349E, ASP412F, ASP75F, ASP78F, CYS351E, GLN17E, GLN17F, GLN345E, GLU16F, GLU18E, GLU342E, GLY129F, GLY409F, GLY69F, GLY72F, HIS11E, HIS130F, HIS79F, ILE352E, LEU15E, LEU391E, LEU3E, LEU411F, LEU76F, LEU9E, LEU9F, LYS27F, LYS346E, LYS353E, LYS4E, PHE23F, PHE6E, PRO131F, PRO71F, SER10E, SER63F, SER67F, THR127F, THR128F, THR8E, TRP14E, TRP347E, TRP348E, TRP363E, TRP5E, TYR344E, TYR350E, TYR354E, TYR358E, TYR74F, VAL126F, VAL30F, VAL406F