3H6P

crystal structure of rv3019c-rv3020c from mycobacterium tuberculosis

• Total interactions analyzed: 6
• Total true interactions: 5
• Strongest Interaction:
  • Chains: A-D
  • Int. Res.: 74
  • Norm. En. per Res.: -3.8034
• 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	-69.2077	-70.8987	-284.857	-424.9634	115	12	10	10255	5	13	5
A-C	0.0	-17.3549	-136.733	-154.0879	60	9	7	6440	1	6	1
A-D	-36.0998	-5.8315	-239.517	-281.4484	74	8	14	9254	0	5	4
B-C	-11.9935	-3.0837	-223.899	-238.9762	79	7	17	9377	0	5	4
B-D	-26.6038	-16.4499	-158.564	-201.6176	63	12	6	6912	1	7	1

Interface residues

• A-B: ALA17A, ALA17B, ALA19A, ALA19B, ALA20A, ALA22A, ALA22B, ALA32A, ALA32B, ALA36A, ALA36B, ALA39A, ALA39B, ALA41A, ALA41B, ALA48A, ALA48B, ALA49A, ALA49B, ALA50A, ALA50B, ALA54A, ALA54B, ALA61A, ALA61B, ALA62A, ALA62B, ALA63A, ALA63B, ALA72A, ALA72B, ALA74A, ALA74B, ALA79B, ALA80B, ARG26A, ARG26B, ASN66A, ASN66B, ASN75A, ASN75B, ASP70A, ASP70B, GLN31A, GLN31B, GLN34A, GLN34B, GLN35A, GLN35B, GLN40A, GLN40B, GLN44A, GLN44B, GLN52A, GLN52B, GLN73A, GLN73B, GLU33A, GLU33B, GLU46A, GLU46B, GLY23A, GLY23B, GLY30A, GLY30B, GLY45A, GLY45B, GLY77B, HIS15B, HIS27A, HIS27B, HIS43A, HIS43B, HIS55A, HIS55B, ILE29A, ILE29B, ILE71A, ILE71B, LEU24A, LEU24B, LEU68A, LEU68B, LEU69A, LEU69B, LEU76A, LEU76B, LYS21A, LYS21B, LYS64A, LYS64B, MET25A, MET25B, MET37A, MET37B, PHE18A, PHE18B, PHE51A, PHE51B, PHE58A, PHE58B, SER14B, SER38A, SER38B, SER47A, SER47B, THR16B, THR28A, THR28B, THR67A, THR67B, VAL59A, VAL59B, VAL65A, VAL65B
• A-C: ALA17A, ALA19A, ALA20A, ALA22A, ALA22C, ALA30C, ALA32A, ALA33C, ALA36A, ALA37C, ALA39A, ALA61C, ALA68C, ARG26A, ASP31C, GLN26C, GLN31A, GLN34A, GLN35A, GLN36C, GLN40A, GLN55C, GLU33A, GLU35C, GLY20C, GLY23A, GLY23C, GLY29C, GLY30A, GLY74C, HIS27A, HIS43A, ILE29A, ILE32C, LEU24A, LEU25C, LEU28C, LEU39C, LEU62C, LEU65C, LYS21A, MET25A, MET37A, MET72C, PHE18A, SER27C, SER34C, SER38A, SER71C, SER73C, THR24C, THR28A, THR75C, TRP43C, TRP54C, TRP58C, TYR21C, TYR69C, VAL38C, VAL66C
• A-D: ALA22D, ALA33D, ALA37D, ALA42D, ALA50A, ALA54A, ALA56A, ALA60A, ALA61A, ALA61D, ALA62A, ALA63A, ALA68D, ALA72A, ALA74A, ARG57A, ARG67D, ASN59D, ASN66A, ASN75A, ASP46D, ASP64D, ASP70A, GLN36D, GLN44D, GLN52A, GLN55D, GLN57D, GLN60D, GLN70D, GLN73A, GLU35D, GLU63D, GLY29D, GLY45D, GLY48D, GLY53A, GLY53D, GLY74D, HIS55A, ILE32D, ILE49D, ILE71A, LEU25D, LEU28D, LEU39D, LEU62D, LEU65D, LEU68A, LEU69A, LEU76A, LYS64A, MET72D, PHE51A, PHE58A, SER40D, SER41D, SER47A, SER71D, SER73D, THR47D, THR50D, THR56D, THR67A, TRP43D, TRP54D, TRP58D, TYR21D, TYR51D, TYR69D, VAL38D, VAL59A, VAL65A, VAL66D
• B-C: ALA22C, ALA33C, ALA37C, ALA42C, ALA50B, ALA54B, ALA56B, ALA60B, ALA61B, ALA61C, ALA62B, ALA63B, ALA68C, ALA72B, ALA74B, ALA79B, ALA80B, ARG57B, ARG67C, ASN59C, ASN66B, ASN75B, ASP46C, ASP64C, ASP70B, GLN36C, GLN44C, GLN52B, GLN55C, GLN57C, GLN60C, GLN70C, GLN73B, GLU35C, GLU63C, GLU78B, GLY29C, GLY45C, GLY48C, GLY53B, GLY53C, GLY74C, GLY77B, HIS55B, ILE32C, ILE49C, ILE71B, LEU25C, LEU28C, LEU39C, LEU62C, LEU65C, LEU68B, LEU69B, LEU76B, LYS64B, MET72C, PHE51B, PHE58B, SER40C, SER41C, SER47B, SER71C, SER73C, THR47C, THR50C, THR56C, THR67B, THR75C, TRP43C, TRP54C, TRP58C, TYR21C, TYR51C, TYR69C, VAL38C, VAL59B, VAL65B, VAL66C
• B-D: ALA17B, ALA19B, ALA20B, ALA22B, ALA22D, ALA30D, ALA32B, ALA33D, ALA36B, ALA39B, ALA41B, ALA61D, ALA68D, ARG26B, ASP31D, GLN26D, GLN31B, GLN34B, GLN35B, GLN36D, GLN40B, GLN70D, GLU33B, GLU35D, GLY20D, GLY23B, GLY23D, GLY29D, GLY30B, GLY74D, HIS15B, HIS27B, HIS43B, ILE29B, ILE32D, LEU24B, LEU25D, LEU28D, LEU39D, LEU62D, LEU65D, LYS21B, MET25B, MET37B, MET72D, PHE18B, SER14B, SER27D, SER34D, SER38B, SER40D, SER41D, SER71D, SER73D, THR16B, THR24D, THR28B, TRP54D, TRP58D, TYR21D, TYR69D, VAL38D, VAL66D