3DEX

crystal structure of sav_2001 protein from streptomyces avermitilis, northeast structural genomics consortium target svr107.

• Total interactions analyzed: 28
• Total true interactions: 13
• Strongest Interaction:
  • Chains: E-H
  • Int. Res.: 45
  • Norm. En. per Res.: -3.7574
• 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	-66.6584	-10.1857	-212.817	-289.6611	80	8	14	8832	4	19	13
A-C	0.0	0.0	-6.1631	-6.1631	11	4	0	277	0	0	1
A-D	0.0	-43.9226	-122.463	-166.3855	45	5	0	4490	3	11	9
B-C	0.0	-42.7281	-114.255	-156.9831	43	5	0	4316	2	11	9
B-D	0.0	0.0	-2.0857	-2.0857	12	6	0	188	0	0	1
C-D	-46.6826	-11.5766	-207.638	-265.8972	78	7	14	8736	7	18	12
C-F	-13.406	24.2096	-46.3863	-35.5827	36	7	0	2387	2	25	30
E-F	-53.5909	-7.4891	-213.815	-274.895	79	8	14	8961	6	19	14
E-G	0.0	0.0	-6.4462	-6.4462	10	3	0	274	0	0	1
E-H	0.0	-44.238	-124.845	-169.083	45	5	0	4521	3	11	9
F-G	0.0	-43.0588	-114.681	-157.7398	43	4	0	4323	3	11	9
F-H	0.0	0.0	-2.1149	-2.1149	12	6	0	189	0	0	1
G-H	-53.8386	-10.0484	-208.246	-272.133	78	7	14	8934	7	19	13

Interface residues

• A-B: ALA29A, ALA29B, ALA30A, ALA30B, ALA33A, ALA33B, ALA48A, ALA48B, ARG14A, ARG14B, ARG24A, ARG24B, ARG28A, ARG28B, CB8.190143.27905, GLN16A, GLN16B, GLN22A, GLN22B, GLN34A, GLN34B, GLU18A, GLU18B, GLU35A, GLU35B, GLU41A, GLU41B, GLU43A, GLU43B, GLU46A, GLU46B, GLY52A, GLY52B, HIS11A, HIS11A5, HIS13A, HIS13B, ILE17A, ILE17B, LEU26A, LEU26B, LEU32A, LEU32B, LEU36A, LEU36B, LEU37A, LEU37B, LEU44A, LEU44B, LEU47A, LEU47B, LEU49A, LEU49B, LYS50A, LYS50B, PHE40A, PHE40B, PRO27A, PRO27B, PRO51A, PRO51B, THR21A, THR21B, THR38A, THR38B, THR39A, THR39B, THR42A, THR42B, THR45A, THR45B, THR53B, TRP25A, TRP25B, TRP31A, TRP31B, TYR19A, TYR19B, VAL15A, VAL15B
• A-C: ALA30C, ARG24A, ARG24C, GLN34A, GLN34C, LEU26A, LEU26C, PRO27A, PRO27C, TRP31A, TRP31C
• A-D: ALA29A, ALA29D, ALA30A, ALA30D, ALA79A, ALA79D, ARG24A, ARG24D, ARG28A, ARG28D, ARG69A, CYS23A, CYS23D, GLN34A, GLN34D, GLU35A, GLU35D, GLU76A, GLU76D, GLY73A, GLY73D, LEU26A, LEU26D, LEU32A, LEU32D, LYS81A, LYS81D, PHE74A, PHE74D, PRO27A, PRO27D, PRO75A, PRO75D, PRO77A, PRO77D, THR38A, THR38D, THR39D, THR78A, THR78D, TRP25A, TRP25D, TRP31A, TRP31D, VAL80D
• B-C: ALA29B, ALA29C, ALA30B, ALA30C, ALA79B, ARG24B, ARG24C, ARG28B, ARG28C, ARG69C, CYS23C, GLN34B, GLN34C, GLU35B, GLU35C, GLU76B, GLU76C, GLY73B, GLY73C, LEU26B, LEU26C, LEU32B, LEU32C, LYS81B, LYS81C, PHE74B, PHE74C, PRO27B, PRO27C, PRO75B, PRO75C, PRO77B, PRO77C, THR38B, THR38C, THR39B, THR78B, THR78C, TRP25B, TRP25C, TRP31B, TRP31C, VAL80B
• B-D: ARG24B, ARG24D, GLN34B, GLN34D, LEU26B, LEU26D, PRO27B, PRO27D, THR38B, THR38D, TRP31B, TRP31D
• C-D: ALA29C, ALA29D, ALA30C, ALA30D, ALA33C, ALA33D, ALA48C, ALA48D, ARG14C, ARG14D, ARG24C, ARG24D, ARG28C, ARG28D, GLN16C, GLN16D, GLN22C, GLN22D, GLN34C, GLN34D, GLU18C, GLU18D, GLU35C, GLU35D, GLU41C, GLU41D, GLU43C, GLU43D, GLU46C, GLU46D, GLY52C, GLY52D, HIS13C, HIS13D, ILE17C, ILE17D, LEU26C, LEU26D, LEU32C, LEU32D, LEU36C, LEU36D, LEU37C, LEU37D, LEU44C, LEU44D, LEU47C, LEU47D, LEU49C, LEU49D, LYS50C, LYS50D, PHE40C, PHE40D, PRO27C, PRO27D, PRO51C, PRO51D, THR12C, THR12D, THR21C, THR21D, THR38C, THR38D, THR39C, THR39D, THR42C, THR42D, THR45C, THR45D, TRP25C, TRP25D, TRP31C, TRP31D, TYR19C, TYR19D, VAL15C, VAL15D
• C-F: ALA79C, ALA79F, ALA89F, ARG82C, ARG82F, ARG85C, ARG85F, ARG87C, ARG87F, ASP62C, ASP63C, ASP68F, ASP86C, ASP86F, GLN72C, GLN72F, GLU64C, GLU64F, GLU71C, GLU71F, HIS13C, LEU83C, LEU83F, LYS81F, PHE40C, THR78F, TRP67C, TRP67F, VAL65C, VAL65F, VAL66C, VAL66F, VAL80F, VAL84C, VAL84F, VAL88C
• E-F: ALA29E, ALA29F, ALA30E, ALA30F, ALA33E, ALA33F, ALA48E, ALA48F, ARG14E, ARG14F, ARG24E, ARG24F, ARG28E, ARG28F, GLN16E, GLN16F, GLN22E, GLN22F, GLN34E, GLN34F, GLU18E, GLU18F, GLU35E, GLU35F, GLU41E, GLU41F, GLU43E, GLU43F, GLU46E, GLU46F, GLY52E, GLY52F, HIS11E, HIS13E, HIS13F, ILE17E, ILE17F, LEU26E, LEU26F, LEU32E, LEU32F, LEU36E, LEU36F, LEU37E, LEU37F, LEU44E, LEU44F, LEU47E, LEU47F, LEU49E, LEU49F, LYS50E, LYS50F, PHE40E, PHE40F, PRO27E, PRO27F, PRO51E, PRO51F, THR12F, THR21E, THR21F, THR38E, THR38F, THR39E, THR39F, THR42E, THR42F, THR45E, THR45F, THR53F, TRP25E, TRP25F, TRP31E, TRP31F, TYR19E, TYR19F, VAL15E, VAL15F
• E-G: ARG24E, ARG24G, GLN34E, GLN34G, LEU26E, LEU26G, PRO27E, PRO27G, TRP31E, TRP31G
• E-H: ALA29E, ALA29H, ALA30E, ALA30H, ALA79E, ALA79H, ARG24E, ARG24H, ARG28E, ARG28H, ARG69E, CYS23E, CYS23H, GLN34E, GLN34H, GLU35E, GLU35H, GLU76E, GLU76H, GLY73E, GLY73H, LEU26E, LEU26H, LEU32E, LEU32H, LYS81E, LYS81H, PHE74E, PHE74H, PRO27E, PRO27H, PRO75E, PRO75H, PRO77E, PRO77H, THR38E, THR38H, THR39H, THR78E, THR78H, TRP25E, TRP25H, TRP31E, TRP31H, VAL80H
• F-G: ALA29F, ALA29G, ALA30F, ALA30G, ALA79F, ARG24F, ARG24G, ARG28F, ARG28G, ARG69G, CYS23G, GLN34F, GLN34G, GLU35F, GLU35G, GLU76F, GLU76G, GLY73F, GLY73G, LEU26F, LEU26G, LEU32F, LEU32G, LYS81F, LYS81G, PHE74F, PHE74G, PRO27F, PRO27G, PRO75F, PRO75G, PRO77F, PRO77G, THR38F, THR38G, THR39F, THR78F, THR78G, TRP25F, TRP25G, TRP31F, TRP31G, VAL80F
• F-H: ARG24F, ARG24H, GLN34F, GLN34H, LEU26F, LEU26H, PRO27F, PRO27H, THR38F, THR38H, TRP31F, TRP31H
• G-H: ALA29G, ALA29H, ALA30G, ALA30H, ALA33G, ALA33H, ALA48G, ALA48H, ARG14G, ARG14H, ARG24G, ARG24H, ARG28G, ARG28H, GLN16G, GLN16H, GLN22G, GLN22H, GLN34G, GLN34H, GLU18G, GLU18H, GLU35G, GLU35H, GLU41G, GLU41H, GLU43G, GLU43H, GLU46G, GLU46H, GLY52G, GLY52H, HIS11H, HIS13G, HIS13H, ILE17G, ILE17H, LEU26G, LEU26H, LEU32G, LEU32H, LEU36G, LEU36H, LEU37G, LEU37H, LEU44G, LEU44H, LEU47G, LEU47H, LEU49G, LEU49H, LYS50G, LYS50H, PHE40G, PHE40H, PRO27G, PRO27H, PRO51G, PRO51H, THR21G, THR21H, THR38G, THR38H, THR39G, THR39H, THR42G, THR42H, THR45G, THR45H, THR53G, TRP25G, TRP25H, TRP31G, TRP31H, TYR19G, TYR19H, VAL15G, VAL15H