2IBO

x-ray crystal structure of protein sp2199 from streptococcus pneumoniae. northeast structural genomics consortium target spr31

• Total interactions analyzed: 6
• Total true interactions: 6
• Strongest Interaction:
  • Chains: B-D
  • Int. Res.: 90
  • Norm. En. per Res.: -3.6688
• 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	0.0	0.0	-61.9543	-61.9543	34	2	4	2837	0	2	2
A-C	-116.4372	15.1151	-210.735	-312.0572	91	31	10	9570	2	21	21
A-D	-17.8441	-2.668	-207.283	-227.7952	91	13	5	9675	2	14	11
B-C	-18.5582	-2.6336	-162.262	-183.4538	86	12	4	8778	2	15	12
B-D	-125.932	13.4339	-217.69	-330.188	90	30	12	9849	2	20	19
C-D	0.0	0.0	-93.1313	-93.1313	42	3	7	3990	0	4	2

Interface residues

• A-B: ALA72A, ALA72B, ARG18A, ARG18B, ASN69A, ASN69B, ASN73A, ASN73B, GLN14A, GLN14B, GLN8A, GLN8B, GLU42A, GLY15A, GLY15B, ILE22A, ILE22B, LEU10A, LEU10B, LEU12A, LEU12B, LYS75A, LYS75B, PHE41A, PHE41B, PHE71A, PHE71B, PRO11A, PRO11B, PRO40A, VAL13A, VAL13B, VAL70A, VAL70B
• A-C: ALA3A, ALA3C, ALA59A, ALA59C, ALA63A, ALA63C, ALA67A, ALA67C, ALA6A, ALA6C, ALA72A, ALA72C, ARG54A, ARG54C, ASN69A, ASN69C, ASN73A, ASN73C, ASN77A, ASN77C, ASP50A, ASP50C, ASP68A, ASP68C, GLN14A, GLN65A, GLN65C, GLN8A, GLN8C, GLU42A, GLU42C, GLU48A, GLU48C, GLU51A, GLU51C, GLU58A, GLU58C, GLU61A, GLU61C, GLU66A, GLU80A, GLU80C, GLY64A, GLY64C, GLY79A, GLY79C, ILE5A, ILE5C, ILE76A, ILE76C, ILE81A, ILE81C, LEU10A, LEU10C, LEU12A, LEU12C, LEU52A, LEU52C, LEU56A, LEU56C, LEU60A, LEU60C, LEU7A, LEU7C, LEU82A, LEU82C, LYS57A, LYS57C, LYS75A, LYS75C, LYS87A, PHE49A, PHE49C, PHE71A, PHE71C, PRO11A, PRO11C, SER4A, SER4C, VAL13A, VAL13C, VAL62A, VAL62C, VAL70A, VAL70C, VAL74A, VAL74C, VAL78A, VAL78C, VAL9A, VAL9C
• A-D: ALA20D, ALA3A, ALA3D, ALA6A, ALA6D, ARG18A, ARG18D, ASN73A, ASN73D, ASN77A, ASN77D, ASP23D, ASP85A, ASP85D, GLN14A, GLN24D, GLN8A, GLN8D, GLU42A, GLU42D, GLU46A, GLU46D, GLU80A, GLU86A, GLU86D, GLU89A, GLU89D, GLY15A, GLY15D, ILE16A, ILE16D, ILE19A, ILE19D, ILE22A, ILE22D, ILE26D, ILE5A, ILE5D, ILE76A, ILE76D, ILE81A, ILE81D, ILE84A, ILE84D, LEU10A, LEU10D, LEU45A, LEU45D, LEU52A, LEU52D, LEU7A, LEU7D, LEU82A, LEU82D, LEU88A, LEU88D, LYS75A, LYS75D, LYS87A, LYS87D, LYS90A, LYS90D, PHE41A, PHE41D, PHE71A, PHE71D, PRO11A, PRO40A, PRO40D, SER4A, SER4D, SER83A, SER83D, THR39A, THR39D, THR43A, THR43D, VAL13A, VAL25D, VAL37A, VAL37D, VAL38A, VAL38D, VAL44A, VAL44D, VAL74A, VAL74D, VAL78A, VAL78D, VAL9A, VAL9D
• B-C: ALA3B, ALA3C, ALA6B, ALA6C, ARG18B, ARG18C, ASN73B, ASN73C, ASN77B, ASN77C, ASP23C, ASP85B, ASP85C, GLN14B, GLN8B, GLN8C, GLU42B, GLU42C, GLU46B, GLU46C, GLU80C, GLU86B, GLU86C, GLU89B, GLY15B, ILE16C, ILE19B, ILE19C, ILE22B, ILE22C, ILE26B, ILE26C, ILE5B, ILE5C, ILE76B, ILE76C, ILE81B, ILE81C, ILE84B, ILE84C, LEU10B, LEU10C, LEU45B, LEU45C, LEU52B, LEU52C, LEU7B, LEU7C, LEU82B, LEU82C, LEU88B, LEU88C, LYS75B, LYS75C, LYS87B, LYS87C, LYS90B, LYS90C, PHE41B, PHE41C, PHE71B, PHE71C, PRO11B, PRO40B, PRO40C, SER4B, SER4C, SER83B, SER83C, THR39B, THR39C, THR43B, THR43C, VAL13B, VAL37B, VAL37C, VAL38B, VAL38C, VAL44B, VAL44C, VAL74B, VAL74C, VAL78B, VAL78C, VAL9B, VAL9C
• B-D: ALA3B, ALA3D, ALA59B, ALA59D, ALA63B, ALA63D, ALA67B, ALA67D, ALA6B, ALA6D, ALA72B, ALA72D, ARG54B, ARG54D, ASN69B, ASN69D, ASN73B, ASN73D, ASN77B, ASN77D, ASP50B, ASP50D, ASP68B, ASP68D, GLN14B, GLN65B, GLN65D, GLN8B, GLN8D, GLU42B, GLU42D, GLU48B, GLU48D, GLU51B, GLU51D, GLU58B, GLU58D, GLU61B, GLU61D, GLU80B, GLU80D, GLY64B, GLY64D, GLY79B, GLY79D, ILE5B, ILE5D, ILE76B, ILE76D, ILE81B, ILE81D, ILE84D, LEU10B, LEU10D, LEU12B, LEU12D, LEU52B, LEU52D, LEU56B, LEU56D, LEU60B, LEU60D, LEU7B, LEU7D, LEU82B, LEU82D, LYS2D, LYS57B, LYS57D, LYS75B, LYS75D, LYS87B, PHE49B, PHE49D, PHE71B, PHE71D, PRO11B, SER4B, SER4D, SER83D, VAL62B, VAL62D, VAL70B, VAL70D, VAL74B, VAL74D, VAL78B, VAL78D, VAL9B, VAL9D
• C-D: ALA72C, ALA72D, ARG18C, ARG18D, ASN69C, ASN69D, ASN73C, ASN73D, GLN14C, GLN14D, GLN8C, GLN8D, GLU42C, GLU42D, GLY15C, GLY15D, ILE16C, ILE16D, ILE22C, ILE22D, LEU10C, LEU10D, LEU12C, LEU12D, LYS75C, LYS75D, PHE41C, PHE41D, PHE71C, PHE71D, PRO11C, PRO11D, PRO40C, PRO40D, VAL13C, VAL13D, VAL70C, VAL70D, VAL74C, VAL74D, VAL9C, VAL9D