2Y75

the structure of cymr (yrzc) the global cysteine regulator of b. subtilis

• Total interactions analyzed: 15
• Total true interactions: 15
• Strongest Interaction:
  • Chains: E-F
  • Int. Res.: 145
  • Norm. En. per Res.: -5.14
• Hub Node: A(5)

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	-90.721	-65.1017	-545.227	-701.0497	143	20	28	23042	3	50	44
A-C	-5.5937	0.0	-96.4054	-101.9991	44	0	1	4180	0	11	14
A-D	-29.5763	-41.3689	-79.146	-150.0913	31	2	3	3112	2	26	23
A-E	-13.4831	0.0	-93.8181	-107.3012	46	2	1	3812	0	10	15
A-F	0.0	0.0	-0.0904	-0.0904	7	0	0	46	0	0	2
B-C	0.0	0.0	-0.1447	-0.1447	7	0	0	62	0	0	2
B-D	-14.1035	0.0	-92.4553	-106.5588	49	1	1	3807	0	15	10
B-E	-28.8736	-38.3146	-83.2816	-150.4699	32	2	3	3146	3	25	23
B-F	-12.6455	-2.2509	-91.2344	-106.1307	49	4	1	3801	0	15	10
C-D	-72.5849	-88.0083	-516.209	-676.8022	145	22	30	22344	7	49	43
C-E	-13.9666	0.0	-91.3908	-105.3574	48	4	1	3850	0	11	14
C-F	-28.1433	-47.6587	-72.7816	-148.5836	29	2	3	2701	2	24	22
D-E	0.0	0.0	-0.1133	-0.1133	4	0	0	49	0	0	2
D-F	-6.2994	-3.596	-90.6378	-100.5332	50	2	1	3791	0	13	10
E-F	-94.0874	-111.2982	-539.919	-745.3047	145	34	31	23071	8	49	40

Interface residues

• A-B: ALA100A, ALA100B, ALA111A, ALA111B, ALA125A, ALA125B, ALA19B, ALA77A, ALA77B, ARG102A, ARG102B, ARG107A, ARG107B, ARG109A, ARG109B, ARG82A, ARG9A, ARG9B, ASN36A, ASN36B, ASN37A, ASN37B, ASP110A, ASP110B, ASP117A, ASP117B, ASP123A, ASP123B, ASP129A, ASP96A, ASP96B, GLU103A, GLU103B, GLU114A, GLU114B, GLU17A, GLU17B, GLU85A, GLU85B, GLU92A, GLU92B, GLU95A, GLU95B, GLU97A, GLU97B, GLU98A, GLU98B, GLY11A, GLY11B, GLY78A, GLY78B, GLY86A, GLY8A, GLY8B, ILE106A, ILE106B, ILE108A, ILE108B, ILE14A, ILE14B, ILE16A, ILE16B, ILE32A, ILE32B, ILE4A, ILE4B, ILE80A, ILE80B, ILE81A, ILE81B, ILE88A, ILE88B, LEU104A, LEU104B, LEU116A, LEU116B, LEU121A, LEU121B, LEU124A, LEU124B, LEU12A, LEU12B, LEU2A, LEU2B, LEU38A, LEU38B, LEU43A, LEU84A, LEU84B, LEU94A, LEU94B, LYS101A, LYS101B, LYS113A, LYS113B, LYS20A, LYS20B, LYS3A, LYS3B, LYS7B, MET15A, MET1A, MET1B, PRO87A, PRO87B, PRO90A, PRO90B, PRO99A, PRO99B, SER118A, SER118B, SER126A, SER126B, SER5A, SER5B, SER89A, SER89B, THR119A, THR119B, THR120A, THR120B, THR128A, THR13A, THR13B, THR35A, THR35B, THR6A, THR6B, THR76B, TRP105A, TRP105B, TYR10A, TYR10B, TYR127A, TYR127B, VAL112A, VAL112B, VAL115A, VAL115B, VAL91A, VAL91B, VAL93A, VAL93B
• A-C: ALA53A, ARG51A, ARG82A, ARG9C, ASN36C, ASN37C, ASN52A, ASP79A, GLN45A, GLN45C, GLU40C, GLU44C, GLU85A, GLU92A, GLY54A, GLY78A, GLY86A, HIS41C, ILE4C, ILE80A, ILE81A, ILE88A, LEU38C, LEU43C, LEU46A, LEU46C, LEU50A, LEU55A, LEU84A, LYS3A, LYS7A, LYS7C, PRO49A, PRO87A, PRO90A, SER39C, SER48A, SER5C, SER89A, THR6C, TYR10C, TYR42C, VAL83A, VAL93A
• A-D: ARG102A, ARG102D, ARG109A, ARG109D, ASP96A, ASP96D, GLU103D, GLU92A, GLU92D, GLU95A, GLU95D, GLU97A, GLU97D, ILE106A, ILE106D, LEU94A, LEU94D, LYS101D, LYS113A, LYS3A, PRO87A, PRO87D, PRO90A, PRO99D, SER89A, SER89D, TRP105D, VAL91A, VAL91D, VAL93A, VAL93D
• A-E: ALA53E, ARG51E, ARG82E, ARG9A, ASN36A, ASN37A, ASN52E, ASP79E, GLN45A, GLN45E, GLU40A, GLU44A, GLU85E, GLU92E, GLY54E, GLY86E, HIS41A, ILE4A, ILE80E, ILE81E, ILE88E, LEU2A, LEU38A, LEU43A, LEU46A, LEU46E, LEU50E, LEU55E, LEU84E, LYS3A, LYS3E, LYS7A, LYS7E, PRO49E, PRO87E, PRO90E, SER39A, SER48E, SER5A, SER5E, SER89E, THR6A, TYR10A, TYR42A, VAL83E, VAL93E
• A-F: ARG9A, LEU2A, LYS3F, MET1A, MET1F, THR6A, TYR10A
• B-C: ARG9C, LYS3B, LYS3C, MET1B, SER5C, THR6C, TYR10C
• B-D: ALA53D, ARG51D, ARG82D, ARG9B, ASN36B, ASN37B, ASN52D, ASP79D, GLN45B, GLN45D, GLU40B, GLU44B, GLU85D, GLU92D, GLU95D, GLY54D, GLY78D, GLY86D, HIS41B, ILE4B, ILE80D, ILE81D, ILE88D, LEU2B, LEU38B, LEU43B, LEU46B, LEU46D, LEU50D, LEU55D, LEU84D, LEU94D, LYS113D, LYS3B, LYS7B, LYS7D, MET1B, PRO49D, PRO87D, SER39B, SER48B, SER48D, SER5B, SER89D, THR6B, TYR10B, TYR42B, VAL83D, VAL93D
• B-E: ARG102B, ARG102E, ARG109B, ARG109E, ASP110E, ASP96B, ASP96E, GLU103B, GLU92B, GLU92E, GLU95B, GLU95E, GLU97B, GLU97E, ILE106B, ILE106E, LEU94B, LEU94E, LYS101B, LYS3B, LYS3E, PRO87B, PRO87E, PRO90E, PRO99B, SER89B, SER89E, TRP105B, VAL91B, VAL91E, VAL93B, VAL93E
• B-F: ALA53B, ARG51B, ARG82B, ARG9F, ASN36F, ASN37F, ASN52B, ASP79B, GLN45B, GLN45F, GLU40F, GLU44F, GLU85B, GLU92B, GLU95B, GLY54B, GLY78B, GLY86B, HIS41F, ILE4F, ILE80B, ILE81B, ILE88B, LEU2F, LEU38F, LEU43F, LEU46B, LEU46F, LEU50B, LEU55B, LEU84B, LEU94B, LYS113B, LYS3B, LYS3F, LYS7B, LYS7F, MET1F, PRO49B, PRO87B, SER39F, SER48B, SER48F, SER89B, THR6F, TYR10F, TYR42F, VAL83B, VAL93B
• C-D: ALA100C, ALA100D, ALA111C, ALA111D, ALA125C, ALA125D, ALA19D, ALA77C, ALA77D, ARG102C, ARG102D, ARG107C, ARG107D, ARG109C, ARG109D, ARG82C, ARG9C, ARG9D, ASN36C, ASN36D, ASN37C, ASN37D, ASP110C, ASP110D, ASP117C, ASP117D, ASP123C, ASP123D, ASP129C, ASP96C, ASP96D, GLU103C, GLU103D, GLU114C, GLU114D, GLU17C, GLU17D, GLU85C, GLU85D, GLU92C, GLU92D, GLU95C, GLU95D, GLU97C, GLU97D, GLU98C, GLU98D, GLY11C, GLY11D, GLY78C, GLY78D, GLY86C, GLY8C, GLY8D, ILE106C, ILE106D, ILE108C, ILE108D, ILE14C, ILE14D, ILE16C, ILE16D, ILE32C, ILE32D, ILE4C, ILE4D, ILE80C, ILE80D, ILE81C, ILE81D, ILE88C, ILE88D, LEU104C, LEU104D, LEU116C, LEU116D, LEU121C, LEU121D, LEU124C, LEU124D, LEU12C, LEU12D, LEU2C, LEU2D, LEU38C, LEU38D, LEU43C, LEU84C, LEU84D, LEU94C, LEU94D, LYS101C, LYS101D, LYS113C, LYS113D, LYS20C, LYS20D, LYS3C, LYS3D, LYS7D, MET15C, MET1C, MET1D, PRO87C, PRO87D, PRO90C, PRO90D, PRO99C, PRO99D, SER118C, SER118D, SER126C, SER126D, SER5C, SER5D, SER89C, SER89D, THR119C, THR119D, THR120C, THR120D, THR128C, THR128D, THR13C, THR13D, THR35C, THR35D, THR6C, THR6D, THR76C, THR76D, TRP105C, TRP105D, TYR10C, TYR10D, TYR127C, TYR127D, VAL112C, VAL112D, VAL115C, VAL115D, VAL91C, VAL91D, VAL93C, VAL93D
• C-E: ALA53C, ARG51C, ARG82C, ARG9E, ASN36E, ASN37E, ASN52C, ASP79C, GLN45C, GLN45E, GLU40E, GLU44E, GLU85C, GLU92C, GLY54C, GLY78C, GLY86C, HIS41E, ILE4E, ILE80C, ILE81C, ILE88C, LEU38E, LEU43E, LEU46C, LEU46E, LEU50C, LEU55C, LEU84C, LYS113C, LYS3C, LYS3E, LYS7C, LYS7E, PRO49C, PRO87C, PRO90C, SER39E, SER48C, SER48E, SER5E, SER89C, THR13E, THR6E, TYR10E, TYR42E, VAL83C, VAL93C
• C-F: ARG102C, ARG102F, ARG109C, ARG109F, ASP96C, ASP96F, GLU103F, GLU92C, GLU92F, GLU95C, GLU95F, GLU97C, GLU97F, ILE106C, ILE106F, LEU94C, LEU94F, LYS101F, LYS113C, LYS3C, PRO87C, PRO87F, PRO90C, SER89C, SER89F, TRP105F, VAL91C, VAL93C, VAL93F
• D-E: ARG9E, MET1D, THR6E, TYR10E
• D-F: ALA53F, ARG109F, ARG51F, ARG82F, ARG9D, ASN36D, ASN37D, ASN52F, ASP79F, GLN45D, GLN45F, GLU40D, GLU44D, GLU85F, GLU92F, GLU95F, GLY54F, GLY78F, GLY86F, HIS41D, ILE4D, ILE80F, ILE81F, ILE88F, LEU2D, LEU38D, LEU43D, LEU46D, LEU46F, LEU50F, LEU55F, LEU84F, LEU94F, LYS113F, LYS3D, LYS7D, LYS7F, MET1D, PRO49F, PRO87F, SER39D, SER48D, SER48F, SER5D, SER89F, THR6D, TYR10D, TYR42D, VAL83F, VAL93F
• E-F: ALA100E, ALA100F, ALA111E, ALA111F, ALA125E, ALA125F, ALA19F, ALA77E, ALA77F, ARG102E, ARG102F, ARG107E, ARG107F, ARG109E, ARG109F, ARG82E, ARG9E, ARG9F, ASN36E, ASN36F, ASN37E, ASN37F, ASP110E, ASP110F, ASP117E, ASP117F, ASP123E, ASP123F, ASP129E, ASP129F, ASP96E, ASP96F, GLU103E, GLU103F, GLU114E, GLU114F, GLU17E, GLU17F, GLU85E, GLU85F, GLU92E, GLU92F, GLU95E, GLU95F, GLU97E, GLU97F, GLU98E, GLU98F, GLY11E, GLY11F, GLY78E, GLY78F, GLY86E, GLY8E, GLY8F, ILE106E, ILE106F, ILE108E, ILE108F, ILE14E, ILE14F, ILE16E, ILE16F, ILE32F, ILE4E, ILE4F, ILE80E, ILE80F, ILE81E, ILE81F, ILE88E, ILE88F, LEU104E, LEU104F, LEU116E, LEU116F, LEU121E, LEU121F, LEU124E, LEU124F, LEU12E, LEU12F, LEU2E, LEU2F, LEU38E, LEU38F, LEU43E, LEU84E, LEU84F, LEU94E, LEU94F, LYS101E, LYS101F, LYS113E, LYS113F, LYS20E, LYS20F, LYS3E, LYS3F, LYS7F, MET15E, MET1E, MET1F, PRO87E, PRO87F, PRO90E, PRO90F, PRO99E, PRO99F, SER118E, SER118F, SER126E, SER126F, SER5E, SER5F, SER89E, SER89F, THR119E, THR119F, THR120E, THR120F, THR128E, THR128F, THR13E, THR13F, THR35E, THR35F, THR6E, THR6F, THR76E, THR76F, TRP105E, TRP105F, TYR10E, TYR10F, TYR127E, TYR127F, VAL112E, VAL112F, VAL115E, VAL115F, VAL91E, VAL91F, VAL93E, VAL93F