2AY0

structure of the lys9met mutant of the e. coli proline utilization a (puta) dna-binding domain.

• Total interactions analyzed: 15
• Total true interactions: 11
• Strongest Interaction:
  • Chains: C-D
  • Int. Res.: 84
  • Norm. En. per Res.: -7.168
• 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	-125.3506	-8.7846	-381.65	-515.7852	80	19	15	16316	0	9	6
A-C	-2.6306	19.6213	-42.7151	-25.7244	33	1	0	1676	1	6	6
A-D	0.0	0.0	-2.6791	-2.6791	13	2	0	232	0	0	4
B-C	-13.4295	34.564	-110.996	-89.8615	40	4	1	3993	0	7	13
B-D	0.0	18.0351	-43.3829	-25.3478	32	1	0	1709	0	5	3
C-D	-148.7545	-40.0367	-413.324	-602.1152	84	27	17	17292	2	15	8
C-E	0.0	-1.3324	-56.8123	-58.1447	35	1	0	1957	1	7	6
C-F	0.0	0.0	-4.9917	-4.9917	12	0	0	245	0	0	3
D-E	-11.6144	38.5659	-107.429	-80.4775	43	2	1	3862	0	6	15
D-F	-14.8118	-25.6114	-66.3744	-106.7976	37	5	0	2295	1	6	6
E-F	-144.9566	-41.2071	-388.55	-574.7136	82	24	17	16614	1	16	8

Interface residues

• A-B: ALA13A, ALA13B, ALA21A, ALA21B, ALA22A, ALA22B, ALA36A, ALA36B, ARG15A, ARG15B, ARG17A, ARG17B, ARG24A, ARG24B, ARG27A, ARG27B, ASP11A, ASP11B, ASP12A, ASP12B, GLN35A, GLN35B, GLN43A, GLN43B, GLU16A, GLU16B, GLU42A, GLU42B, GLU45A, GLY7A, GLY7B, HIS30A, HIS30B, ILE18A, ILE18B, ILE25A, ILE25B, ILE33A, ILE33B, ILE37A, ILE37B, LEU10A, LEU10B, LEU32A, LEU32B, LEU41A, LEU41B, LEU44A, LEU44B, LYS19A, LYS19B, LYS34A, LYS34B, MET6A, MET6B, MET9A, MET9B, PHE38A, PHE38B, PRO29A, PRO29B, SER20A, SER20B, SER39A, SER39B, THR14A, THR14B, THR28A, THR3A, THR3B, THR4A, THR4B, THR5A, THR5B, TRP31A, TRP31B, TYR40A, TYR40B, VAL8A, VAL8B
• A-C: ALA13A, ALA21C, ARG15A, ARG17A, ARG24C, ARG27C, ASP11A, ASP12A, ASP26C, GLN35C, GLN43A, GLN43C, GLU16A, GLU42C, GLU45C, GLY2C, GLY7A, ILE25C, LEU10A, LEU32C, LEU41C, LEU44A, LYS34C, MET6A, MET9A, PHE38C, SER39C, THR14A, THR3C, TRP31C, TYR40A, TYR40C, VAL8A
• A-D: ARG17A, ARG17D, ASP11A, ASP11D, ASP12A, GLN43D, LEU10D, LEU44A, LEU44D, MET9A, MET9D, TYR40A, TYR40D
• B-C: ALA36B, ARG27B, ARG27C, ASP26B, ASP26C, GLN35B, GLN35C, GLU42B, GLU42C, HIS30B, HIS30C, ILE25B, ILE25C, ILE33B, ILE33C, ILE37B, ILE37C, LEU32B, LEU32C, LEU41B, LEU41C, LYS34B, LYS34C, MET6B, MET6C, PHE38B, PHE38C, PRO29B, PRO29C, SER39B, SER39C, THR28B, THR28C, THR3B, THR3C, THR4B, THR5B, THR5C, TRP31B, TRP31C
• B-D: ALA13D, ALA21B, ALA22B, ARG15D, ARG17D, ARG24B, ARG27B, ASP11D, ASP12D, ASP26B, GLN35B, GLN43B, GLN43D, GLU16D, GLU42B, GLY7D, ILE18D, ILE25B, LEU10D, LEU41B, LEU44D, MET6D, MET9D, PHE38B, SER39B, SER47D, THR14D, THR3B, TRP31B, TYR40B, TYR40D, VAL8D
• C-D: ALA13C, ALA13D, ALA21C, ALA21D, ALA22C, ALA22D, ALA36C, ALA36D, ARG15C, ARG15D, ARG17C, ARG17D, ARG24C, ARG24D, ARG27C, ARG27D, ASN46D, ASP11C, ASP11D, ASP12C, ASP12D, GLN35C, GLN35D, GLN43C, GLN43D, GLU16C, GLU16D, GLU42C, GLU42D, GLU45C, GLU45D, GLY2C, GLY7C, GLY7D, HIS30C, HIS30D, ILE18C, ILE18D, ILE25C, ILE25D, ILE33C, ILE33D, ILE37C, ILE37D, LEU10C, LEU10D, LEU32C, LEU32D, LEU41C, LEU41D, LEU44C, LEU44D, LYS19C, LYS19D, LYS34C, LYS34D, MET6C, MET6D, MET9C, MET9D, PHE38C, PHE38D, PRO29C, PRO29D, SER20C, SER20D, SER39C, SER39D, THR14C, THR14D, THR28C, THR28D, THR3C, THR3D, THR4C, THR4D, THR5C, THR5D, TRP31C, TRP31D, TYR40C, TYR40D, VAL8C, VAL8D
• C-E: ALA13C, ALA22E, ALA36E, ARG15C, ARG17C, ARG24E, ARG27E, ASP11C, ASP12C, ASP26E, GLN35E, GLN43C, GLN43E, GLU16C, GLU42E, GLU45E, GLY2E, GLY7C, ILE18C, ILE25E, LEU10C, LEU41E, LEU44C, LYS34E, MET6C, MET9C, PHE38E, SER39E, THR14C, THR28E, THR3E, TRP31E, TYR40C, TYR40E, VAL8C
• C-F: ARG17C, ARG17F, ASP11C, ASP11F, ASP12F, GLN43C, LEU44C, MET9C, MET9F, THR14F, TYR40C, TYR40F
• D-E: ALA36D, ARG27D, ARG27E, ASP26D, ASP26E, GLN35D, GLN35E, GLU42D, GLU42E, GLU45D, GLU45E, HIS30D, HIS30E, ILE25D, ILE25E, ILE33D, ILE33E, ILE37D, ILE37E, LEU32D, LEU32E, LEU41D, LEU41E, LYS34D, LYS34E, MET6D, MET6E, PHE38D, PHE38E, PRO29D, PRO29E, SER39D, SER39E, THR28D, THR28E, THR3D, THR3E, THR4D, THR4E, THR5D, THR5E, TRP31D, TRP31E
• D-F: ALA13F, ALA21D, ALA22D, ALA36D, ARG15F, ARG17F, ARG24D, ARG27D, ASN46D, ASP11F, ASP12F, ASP26D, GLN35D, GLN43D, GLU16F, GLU42D, GLU45D, GLY7F, ILE18F, ILE25D, LEU10F, LEU41D, LEU44D, LEU44F, LYS34D, MET6F, MET9F, PHE38D, SER39D, SER47D, THR14F, THR28D, THR3D, TRP31D, TYR40D, TYR40F, VAL8F
• E-F: ALA13E, ALA13F, ALA21E, ALA21F, ALA22E, ALA22F, ALA36E, ALA36F, ARG15E, ARG15F, ARG17E, ARG17F, ARG24E, ARG24F, ARG27E, ARG27F, ASP11E, ASP11F, ASP12E, ASP12F, GLN35E, GLN35F, GLN43E, GLN43F, GLU16E, GLU16F, GLU42E, GLU42F, GLU45E, GLU45F, GLY2E, GLY7E, GLY7F, HIS30E, HIS30F, ILE18E, ILE18F, ILE25E, ILE25F, ILE33E, ILE33F, ILE37E, ILE37F, LEU10E, LEU10F, LEU32E, LEU32F, LEU41E, LEU41F, LEU44E, LEU44F, LYS19E, LYS19F, LYS34E, LYS34F, MET6E, MET6F, MET9E, MET9F, PHE38E, PHE38F, PRO29E, PRO29F, SER20E, SER20F, SER39E, SER39F, THR14E, THR14F, THR28E, THR3E, THR3F, THR4E, THR4F, THR5E, THR5F, TRP31E, TRP31F, TYR40E, TYR40F, VAL8E, VAL8F