3L7P

crystal structure of smu.1657c, putative nitrogen regulatory protein pii from streptococcus mutans

• Total interactions analyzed: 15
• Total true interactions: 15
• Strongest Interaction:
  • Chains: C-D
  • Int. Res.: 92
  • Norm. En. per Res.: -4.6596
• 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	-21.3291	-3.3766	-141.342	-166.0477	54	6	9	5924	0	10	16
A-C	-107.9013	-18.3548	-252.58	-378.8361	82	16	12	10457	5	19	33
A-D	-86.9001	-13.4151	-259.93	-360.2452	89	8	11	11114	4	23	29
A-E	0.0	0.0	-0.252	-0.252	8	0	0	79	0	4	1
A-F	0.0	0.0	-12.187	-12.187	12	1	0	727	0	0	0
B-C	0.0	0.0	-0.3068	-0.3068	9	0	0	93	0	4	1
B-D	0.0	0.0	-10.2864	-10.2864	10	0	0	678	0	0	0
B-E	-103.3395	-23.4908	-235.864	-362.6943	83	10	11	10267	4	22	29
B-F	-99.391	-20.8381	-262.565	-382.7941	89	14	12	11010	5	26	32
C-D	-127.1688	-25.5829	-275.931	-428.6827	92	16	11	11579	5	23	28
C-E	0.0	0.0	-19.676	-19.676	18	1	1	963	0	0	0
C-F	-20.6684	-11.889	-155.356	-187.9134	61	9	8	6638	0	10	20
D-E	-19.7022	-12.365	-158.518	-190.5852	60	4	9	6306	0	12	19
D-F	0.0	0.0	-0.2524	-0.2524	8	0	0	93	0	4	1
E-F	-112.2154	-16.7243	-242.373	-371.3127	85	11	11	10465	5	21	29

Interface residues

• A-B: ALA18A, ALA18B, ALA58A, ALA58B, ARG9A, ARG9B, ASP11A, ASP11B, ASP15A, ASP15B, GLN33A, GLN33B, GLU14A, GLU14B, GLY36A, GLY36B, GLY38A, GLY38B, ILE26A, ILE26B, ILE31A, ILE31B, ILE8A, ILE8B, LEU13A, LEU13B, LEU35A, LEU35B, LEU56A, LEU56B, LEU57A, LEU57B, LYS12A, LYS12B, LYS17A, LYS17B, LYS59A, LYS59B, LYS61A, LYS61B, MET29A, MET29B, PHE37A, PHE37B, SER10A, SER10B, SER32A, SER32B, THR55A, THR55B, VAL34A, VAL34B, VAL60A, VAL60B
• A-C: ALA66C, ALA6A, ALA81A, ARG102C, ARG104C, ARG9A, ASP68A, ASP98C, GLN33A, GLN33C, GLN80A, GLU14C, GLU5A, GLU5C, GLU63A, GLU63C, GLU72A, GLU99C, GLY28C, GLY36A, GLY38A, GLY85A, GLY90A, ILE100C, ILE103C, ILE26C, ILE31C, ILE4A, ILE64C, ILE75A, ILE78A, ILE7A, ILE8A, ILE92A, LEU13C, LEU16A, LEU16C, LEU20C, LEU35A, LEU56A, LEU57A, LYS12A, LYS17C, LYS27C, LYS2A, LYS2C, LYS3A, LYS3C, LYS59A, LYS61A, LYS61C, LYS83A, LYS91A, MET1A, MET1C, MET29C, PHE25C, PHE37A, PHE93A, PRO96A, PRO96C, SER32A, SER32C, SER79A, SER95A, SER95C, THR30C, THR55A, THR76A, THR84A, VAL101C, VAL21C, VAL34A, VAL34C, VAL60A, VAL62C, VAL65C, VAL71A, VAL82A, VAL94A, VAL97A, VAL97C
• A-D: ALA18A, ALA6D, ALA81D, ARG102A, ARG9D, ASN39D, ASP68D, ASP89D, ASP98A, GLN22A, GLN33A, GLN33D, GLN40D, GLN80D, GLU14A, GLU5A, GLU5D, GLU63A, GLU63D, GLU72D, GLU86D, GLU99A, GLY24A, GLY28A, GLY36D, GLY38D, GLY85D, GLY90D, ILE100A, ILE103A, ILE26A, ILE31A, ILE4A, ILE4D, ILE64A, ILE75D, ILE78D, ILE7D, ILE8D, ILE92D, LEU13A, LEU16D, LEU20A, LEU35D, LEU56D, LEU57D, LYS12D, LYS17A, LYS27A, LYS2A, LYS2D, LYS3A, LYS3D, LYS59D, LYS61A, LYS61D, LYS83D, LYS91D, MET1A, MET1D, MET29A, PHE25A, PHE37D, PHE93D, PRO54D, PRO96A, PRO96D, SER32A, SER32D, SER79D, SER95A, SER95D, THR30A, THR55D, THR76D, THR84D, VAL101A, VAL21A, VAL34A, VAL34D, VAL60D, VAL62A, VAL62D, VAL65A, VAL71D, VAL82D, VAL94D, VAL97A, VAL97D
• A-E: GLN33A, GLN33E, ILE31A, ILE31E, LYS17A, LYS17E, SER32A, SER32E
• A-F: GLY36A, GLY36F, LEU35A, LEU35F, LEU56A, LEU56F, LEU57A, LEU57F, PHE37A, PHE37F, THR55A, VAL34A
• B-C: GLN33B, GLN33C, ILE31B, ILE31C, LYS17B, LYS17C, SER32B, SER32C, THR30C
• B-D: GLY36B, GLY36D, LEU35B, LEU35D, LEU56B, LEU56D, PHE37B, PHE37D, PRO54D, VAL34D
• B-E: ALA6B, ALA81B, ARG102E, ARG9B, ASP68B, ASP89B, ASP98E, GLN33B, GLN33E, GLN80B, GLU14E, GLU5B, GLU5E, GLU63B, GLU63E, GLU72B, GLU86B, GLU99E, GLY28E, GLY36B, GLY38B, GLY85B, GLY88B, GLY90B, ILE100E, ILE103E, ILE26E, ILE31E, ILE4B, ILE64E, ILE75B, ILE78B, ILE7B, ILE8B, ILE92B, LEU13E, LEU16B, LEU16E, LEU20E, LEU35B, LEU56B, LEU57B, LYS12B, LYS17E, LYS27E, LYS2B, LYS2E, LYS3B, LYS3E, LYS59B, LYS61B, LYS61E, LYS83B, LYS91B, MET1B, MET1E, MET29E, PHE25E, PHE37B, PHE93B, PRO96B, PRO96E, SER32B, SER32E, SER79B, SER95B, SER95E, THR30E, THR55B, THR76B, THR84B, VAL101E, VAL21E, VAL34B, VAL34E, VAL62E, VAL65E, VAL71B, VAL82B, VAL87B, VAL94B, VAL97B, VAL97E
• B-F: ALA66B, ALA6F, ALA81F, ARG102B, ARG104B, ARG9F, ASP68F, ASP89F, ASP98B, GLN33B, GLN33F, GLN80F, GLU14B, GLU5B, GLU5F, GLU63B, GLU63F, GLU72F, GLU86F, GLU99B, GLY28B, GLY36F, GLY38F, GLY85F, GLY88F, GLY90F, ILE100B, ILE103B, ILE26B, ILE31B, ILE4F, ILE64B, ILE75F, ILE78F, ILE7F, ILE8F, ILE92F, LEU13B, LEU16B, LEU16F, LEU20B, LEU35F, LEU56F, LEU57F, LYS12F, LYS17B, LYS27B, LYS2B, LYS2F, LYS3B, LYS3F, LYS59F, LYS61B, LYS61F, LYS83F, LYS91F, MET1B, MET1F, MET29B, PHE25B, PHE37F, PHE93F, PRO96B, PRO96F, SER0F, SER32B, SER32F, SER79F, SER95B, SER95F, THR30B, THR55F, THR76F, THR84F, VAL101B, VAL21B, VAL34B, VAL34F, VAL60B, VAL60F, VAL62B, VAL62F, VAL65B, VAL71F, VAL82F, VAL87F, VAL94F, VAL97B, VAL97F
• C-D: ALA18D, ALA66D, ALA6C, ALA81C, ARG102D, ARG9C, ASN39C, ASP68C, ASP89C, ASP98D, GLN22D, GLN33C, GLN33D, GLN80C, GLU14D, GLU5C, GLU5D, GLU63C, GLU63D, GLU72C, GLU86C, GLU99D, GLY24D, GLY28D, GLY36C, GLY38C, GLY85C, GLY88C, GLY90C, ILE100D, ILE103D, ILE26D, ILE31D, ILE4C, ILE64D, ILE75C, ILE78C, ILE7C, ILE8C, ILE92C, LEU13D, LEU16C, LEU16D, LEU20D, LEU35C, LEU56C, LEU57C, LYS12C, LYS17D, LYS27D, LYS2C, LYS2D, LYS3C, LYS3D, LYS59C, LYS61C, LYS61D, LYS83C, LYS91C, MET1C, MET1D, MET29D, PHE25D, PHE37C, PHE93C, PRO54C, PRO96C, PRO96D, SER32C, SER32D, SER79C, SER95C, SER95D, THR30D, THR53C, THR55C, THR76C, THR84C, VAL101D, VAL21D, VAL34C, VAL34D, VAL60C, VAL60D, VAL62C, VAL62D, VAL65D, VAL71C, VAL82C, VAL94C, VAL97C, VAL97D
• C-E: ALA58C, ALA58E, GLY36C, GLY36E, LEU35C, LEU35E, LEU56C, LEU56E, LEU57C, LEU57E, PHE37C, PHE37E, PRO54C, PRO54E, THR53C, THR55C, THR55E, VAL34E
• C-F: ALA18C, ALA18F, ALA58C, ALA58F, ARG9C, ARG9F, ASN39C, ASP11C, ASP11F, ASP15C, ASP15F, GLN33C, GLN33F, GLU14C, GLU14F, GLY36C, GLY36F, GLY38C, GLY38F, GLY88C, ILE26C, ILE26F, ILE31C, ILE31F, ILE8C, ILE8F, LEU13C, LEU13F, LEU16F, LEU35C, LEU35F, LEU56C, LEU56F, LEU57C, LEU57F, LYS12C, LYS12F, LYS17C, LYS17F, LYS59C, LYS59F, LYS61C, LYS61F, MET29C, MET29F, PHE37C, PHE37F, PRO54C, SER10C, SER10F, SER32C, SER32F, THR53C, THR55C, THR55F, VAL21C, VAL21F, VAL34C, VAL34F, VAL60C, VAL60F
• D-E: ALA18D, ALA18E, ALA58D, ALA58E, ARG9D, ARG9E, ASN39D, ASN39E, ASP11D, ASP11E, ASP15D, ASP15E, GLN33D, GLN33E, GLN40D, GLU14D, GLU14E, GLY36D, GLY36E, GLY38D, GLY38E, ILE26D, ILE26E, ILE31D, ILE31E, ILE8D, ILE8E, LEU13D, LEU13E, LEU16D, LEU35D, LEU35E, LEU56D, LEU56E, LEU57D, LEU57E, LYS12D, LYS12E, LYS17D, LYS17E, LYS59D, LYS59E, LYS61D, LYS61E, MET29D, MET29E, PHE37D, PHE37E, PRO54D, PRO54E, SER10D, SER10E, SER32D, SER32E, THR55D, THR55E, VAL34D, VAL34E, VAL60D, VAL60E
• D-F: GLN33D, GLN33F, ILE31D, ILE31F, LYS17D, LYS17F, SER32D, SER32F
• E-F: ALA18F, ALA6E, ALA81E, ARG102F, ARG9E, ASN39E, ASP68E, ASP89E, ASP98E, ASP98F, GLN22F, GLN33E, GLN33F, GLN80E, GLU14F, GLU5E, GLU5F, GLU63E, GLU63F, GLU72E, GLU99F, GLY24F, GLY28F, GLY36E, GLY38E, GLY90E, ILE100F, ILE103F, ILE26F, ILE31F, ILE4E, ILE64F, ILE75E, ILE78E, ILE7E, ILE8E, ILE92E, LEU13F, LEU16E, LEU16F, LEU20F, LEU35E, LEU56E, LEU57E, LYS12E, LYS17F, LYS27F, LYS2E, LYS3E, LYS3F, LYS59E, LYS61E, LYS61F, LYS83E, LYS91E, MET1E, MET1F, MET29F, PHE25F, PHE37E, PHE93E, PRO54E, PRO96E, PRO96F, SER32E, SER32F, SER79E, SER95E, SER95F, THR30F, THR55E, THR76E, VAL101F, VAL21F, VAL34E, VAL34F, VAL60E, VAL60F, VAL62F, VAL65F, VAL71E, VAL82E, VAL94E, VAL97E, VAL97F