1TO0

x-ray structure of northeast structural genomics target protein sr145 from bacillus subtilis

• Total interactions analyzed: 28
• Total true interactions: 8
• Strongest Interaction:
  • Chains: A-B
  • Int. Res.: 81
  • Norm. En. per Res.: -2.9635
• 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	-34.3313	24.8997	-230.608	-240.0396	81	10	2	9738	0	30	23
A-C	0.0	-7.5543	-10.9306	-18.4849	34	0	0	962	1	30	25
A-F	0.0	-8.5076	-21.3318	-29.8394	29	4	0	1325	2	14	12
B-C	0.0	-5.9187	-20.0298	-25.9485	28	0	0	1665	0	23	26
C-D	-11.8637	12.4515	-222.133	-221.5452	81	10	1	9603	0	33	26
C-F	0.0	1.5566	-18.8018	-17.2452	16	4	0	963	0	2	5
E-F	-14.9366	13.2936	-220.341	-221.984	81	9	1	9304	0	29	27
G-H	-9.7906	19.1233	-210.779	-201.4462	77	11	1	9121	0	29	24

Interface residues

• A-B: ARG138B, ARG147A, ARG147B, ARG26A, ARG26B, GLN135A, GLN135B, GLN144A, GLN144B, GLN18A, GLN18B, GLU13A, GLU13B, GLU143A, GLU143B, GLU22A, GLU22B, GLU86A, GLU86B, GLU87A, GLU87B, GLY19A, GLY19B, HIS134A, HIS134B, ILE140A, ILE140B, ILE151A, ILE151B, ILE20A, ILE20B, ILE78A, ILE78B, LEU125B, LEU136A, LEU136B, LEU139A, LEU139B, LEU141A, LEU141B, LEU16A, LEU16B, LEU88A, LEU88B, LYS129A, LYS129B, LYS12B, LYS14A, LYS14B, LYS17A, LYS17B, LYS81A, LYS81B, LYS83A, LYS83B, PHE127A, PHE127B, PHE132A, PHE132B, PRO133A, PRO133B, SER110A, SER126A, SER126B, SER128A, SER128B, SER85A, SER85B, THR131A, THR131B, THR84A, THR84B, TYR146A, TYR146B, TYR157A, TYR157B, TYR15A, TYR15B, TYR23A, TYR23B, VAL142B
• A-C: ASN2C, ASN4C, ASP34C, ASP90A, GLN18C, GLU21C, GLU22C, GLU37C, GLU79A, GLU86A, GLU87A, GLY80A, ILE33C, ILE35C, ILE36C, LEU38C, LYS102C, LYS10C, LYS124A, LYS129A, LYS17C, LYS25C, LYS32C, LYS66C, LYS81A, LYS83A, LYS94A, PRO39C, SER65C, SER68C, SER85A, THR84A, THR91A, TYR98A
• A-F: ALA71F, ARG62F, ASN4F, ASP115A, ASP34F, ASP57A, ASP61A, ASP70F, GLU37F, ILE35F, ILE36F, ILE54A, ILE55A, ILE67F, LEU38F, LYS100F, LYS102F, LYS10F, LYS119A, LYS124A, LYS53A, LYS58A, LYS66F, PRO39F, PRO69F, SER65F, SER68F, THR116A, VAL6F
• B-C: ARG62C, ASP115B, ASP40C, ASP61C, GLU37C, GLU41C, GLU59C, GLU79B, GLY80B, ILE35C, ILE36C, ILE54C, ILE78B, LEU38C, LYS10C, LYS119B, LYS124B, LYS129B, LYS42C, LYS53B, LYS58C, LYS66C, LYS81B, LYS83B, PRO39C, SER126B, SER65C, VAL6C
• C-D: ARG147C, ARG147D, ARG150C, ARG26C, ARG26D, GLN135C, GLN135D, GLN144C, GLN144D, GLN18C, GLN18D, GLU13C, GLU13D, GLU143C, GLU143D, GLU22C, GLU22D, GLU86C, GLU86D, GLU87C, GLU87D, GLY19C, GLY19D, HIS134C, HIS134D, ILE140C, ILE140D, ILE151C, ILE151D, ILE20C, ILE20D, ILE78D, LEU125C, LEU136C, LEU136D, LEU139C, LEU139D, LEU141C, LEU141D, LEU16C, LEU16D, LEU88C, LEU88D, LYS129C, LYS129D, LYS12D, LYS14C, LYS14D, LYS17C, LYS17D, LYS81C, LYS81D, LYS83C, LYS83D, PHE127C, PHE127D, PHE132C, PHE132D, PRO133C, PRO133D, SER110C, SER110D, SER126C, SER126D, SER128C, SER128D, SER85C, SER85D, THR131C, THR131D, THR84C, THR84D, TYR146C, TYR146D, TYR157D, TYR15C, TYR15D, TYR23C, TYR23D, VAL142C, VAL142D
• C-F: ALA96C, ALA96F, ASN2C, ASN2F, GLY99C, GLY99F, LYS100C, LYS100F, LYS102F, LYS32F, SER101C, SER101F, THR97C, THR97F, TYR98C, TYR98F
• E-F: ARG147E, ARG147F, ARG150F, ARG26E, ARG26F, GLN135E, GLN135F, GLN144E, GLN144F, GLN18E, GLN18F, GLU13E, GLU13F, GLU143E, GLU143F, GLU21F, GLU22E, GLU22F, GLU86E, GLU86F, GLU87E, GLU87F, GLY19E, GLY19F, GLY80E, HIS134E, HIS134F, ILE140E, ILE140F, ILE151E, ILE151F, ILE20E, ILE20F, ILE78E, ILE78F, LEU125E, LEU125F, LEU136E, LEU136F, LEU139E, LEU139F, LEU141E, LEU141F, LEU16E, LEU16F, LEU88E, LYS129E, LYS129F, LYS12F, LYS14E, LYS14F, LYS17E, LYS17F, LYS81E, LYS81F, LYS83E, LYS83F, PHE127E, PHE127F, PHE132E, PHE132F, PRO133E, PRO133F, SER110F, SER126E, SER126F, SER128E, SER128F, SER85E, SER85F, THR131E, THR131F, THR84E, THR84F, TYR146E, TYR146F, TYR15E, TYR15F, TYR23E, TYR23F, VAL142F
• G-H: ARG147G, ARG147H, ARG26G, ARG26H, GLN135G, GLN135H, GLN144G, GLN144H, GLN18G, GLN18H, GLU13G, GLU13H, GLU143G, GLU143H, GLU22G, GLU22H, GLU86G, GLU86H, GLU87G, GLU87H, GLY19G, GLY19H, HIS134G, HIS134H, ILE140G, ILE140H, ILE151G, ILE151H, ILE20G, ILE20H, ILE78H, LEU125G, LEU136G, LEU136H, LEU139G, LEU139H, LEU141G, LEU141H, LEU16G, LEU16H, LEU88G, LEU88H, LYS129G, LYS129H, LYS14G, LYS14H, LYS17G, LYS17H, LYS81G, LYS81H, LYS83G, LYS83H, PHE127G, PHE127H, PHE132G, PHE132H, PRO133G, PRO133H, SER110H, SER126G, SER126H, SER128G, SER128H, SER85G, SER85H, THR131G, THR131H, THR84G, THR84H, TYR146G, TYR146H, TYR157G, TYR157H, TYR15G, TYR15H, TYR23G, TYR23H