2UZ0

the crystal crystal structure of the esta protein, a virulence factor esta protein from streptococcus pneumonia

• Total interactions analyzed: 6
• Total true interactions: 6
• Strongest Interaction:
  • Chains: A-C
  • Int. Res.: 77
  • Norm. En. per Res.: -5.574
• 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	-46.0092	-95.1635	-175.741	-316.9138	94	5	5	6589	4	23	8
A-C	-44.2626	-172.0474	-212.889	-429.199	77	6	1	8011	13	44	41
A-D	-69.641	-24.6461	-231.912	-326.1992	80	13	10	7905	2	27	20
B-C	-72.7589	-25.5883	-229.412	-327.7593	77	11	10	7829	4	25	22
B-D	-43.9871	-166.8099	-264.656	-475.453	91	12	2	9889	15	54	52
C-D	-51.7136	-86.201	-168.752	-306.6666	86	4	5	6305	4	26	9

Interface residues

• A-B: ALA162A, ALA162B, ARG165A, ARG165B, ARG55A, ARG55B, ASN157A, ASN157B, ASN48A, ASN48B, ASN50A, ASN50B, ASN73A, ASN73B, ASN76A, ASN76B, ASP13A, ASP13B, ASP87A, ASP87B, GLN10A, GLN10B, GLN83A, GLN83B, GLU15A, GLU15B, GLU6A, GLU6B, GLY159A, GLY159B, GLY166A, GLY166B, GLY17A, GLY17B, GLY44A, GLY44B, GLY47A, GLY47B, GLY77A, GLY77B, GLY85A, GLY85B, HIS43A, HIS43B, HIS49A, HIS49B, ILE5A, ILE5B, LEU12A, LEU12B, LEU158A, LEU158B, LYS4A, LYS4B, LYS54A, LYS54B, PHE86A, PHE86B, PRO161A, PRO161B, SER160A, SER160B, SER46A, SER46B, SER51A, SER51B, SER75A, SER75B, SER9A, SER9B, THR74A, THR74B, THR82A, THR82B, TRP164A, TRP164B, TRP16A, TRP16B, TRP233A, TRP233B, TRP78A, TRP78B, TYR163A, TYR163B, TYR7A, TYR7B, TYR84A, TYR84B, TYR88A, TYR88B, TYR8A, TYR8B, VAL167A, VAL167B
• A-C: ALA-3A, ALA-3C, ALA1A, ALA1C, ALA228C, ARG256A, ARG55A, ARG55C, ARG60A, ARG60C, ARG63A, ARG63C, ASN50A, ASN50C, ASN57A, ASN57C, ASP-1A, ASP-1C, GLN201C, GLU200C, GLU232A, GLU232C, GLU237A, GLU237C, GLU241A, GLU254A, GLU255A, GLU59A, GLU59C, GLY-4A, GLY-4C, GLY199C, GLY229C, GLY47A, GLY47C, HIS231C, LEU21A, LEU21C, LEU253C, LEU257A, LEU53A, LEU53C, LEU61A, LEU61C, LEU62A, LEU62C, LYS238A, LYS238C, LYS4A, LYS4C, LYS54A, LYS54C, PRO0A, PRO0C, SER227C, SER46A, SER46C, SER51A, SER51C, THR230C, THR56A, THR56C, TRP197C, TRP233A, TRP233C, TRP236A, TRP236C, TRP52A, TRP52C, TYR234A, TYR234C, TYR235A, TYR235C, VAL2A, VAL2C, VAL58A, VAL58C
• A-D: ALA-3A, ALA-3D, ALA1A, ALA1D, ARG102A, ARG102D, ARG63A, ARG63D, ASN106A, ASN106D, ASN66A, ASN66D, ASP-1A, ASP-1D, ASP13A, ASP13D, ASP24A, ASP24D, GLN10A, GLN10D, GLU15A, GLU15D, GLU34A, GLU34D, GLU59A, GLU59D, GLU6A, GLU6D, GLY-4A, GLY-4D, GLY17A, GLY17D, ILE36A, ILE36D, ILE5A, ILE5D, ILE68A, ILE68D, LEU100A, LEU100D, LEU21A, LEU21D, LEU53A, LEU53D, LEU67A, LEU67D, LYS101A, LYS101D, LYS4A, LYS4D, PHE103A, PHE103D, PHE104A, PHE104D, PRO0A, PRO0D, PRO105A, PRO105D, PRO23A, PRO23D, SER9A, SER9D, THR65A, THR65D, TRP16A, TRP16D, TYR22A, TYR22D, TYR7A, TYR7D, TYR8A, TYR8D, VAL18A, VAL18D, VAL20A, VAL20D, VAL2A, VAL2D, VAL99A, VAL99D
• B-C: ALA-3B, ALA-3C, ALA1B, ALA1C, ARG102B, ARG102C, ARG63C, ASN106B, ASN106C, ASN19C, ASN66B, ASN66C, ASP-1B, ASP-1C, ASP13B, ASP13C, ASP24B, ASP24C, GLN10B, GLN10C, GLU15B, GLU15C, GLU34C, GLU59B, GLU59C, GLU6B, GLU6C, GLY-4B, GLY-4C, GLY17B, GLY17C, ILE36B, ILE36C, ILE5B, ILE5C, ILE68B, ILE68C, LEU100B, LEU100C, LEU21B, LEU21C, LEU53B, LEU53C, LEU67B, LYS101B, LYS101C, LYS4B, LYS4C, PHE103B, PHE103C, PHE104B, PHE104C, PRO0B, PRO0C, PRO105B, PRO105C, PRO23B, PRO23C, SER9B, SER9C, THR65B, TRP16B, TRP16C, TYR22B, TYR22C, TYR7B, TYR7C, TYR8B, TYR8C, VAL18B, VAL18C, VAL20B, VAL20C, VAL2B, VAL2C, VAL99B, VAL99C
• B-D: ALA-3B, ALA-3D, ALA1B, ALA1D, ALA228B, ALA228D, ARG256B, ARG256D, ARG55B, ARG55D, ARG60B, ARG60D, ARG63B, ARG63D, ASN50B, ASN50D, ASN57B, ASN57D, ASP-1B, ASP-1D, GLN201B, GLN201D, GLU200B, GLU200D, GLU232B, GLU232D, GLU237B, GLU237D, GLU241B, GLU241D, GLU254B, GLU254D, GLU255B, GLU255D, GLU59B, GLU59D, GLY-4B, GLY-4D, GLY199B, GLY199D, GLY229B, GLY229D, GLY47B, GLY47D, HIS231B, HIS231D, LEU21B, LEU21D, LEU253D, LEU257B, LEU257D, LEU53B, LEU53D, LEU61B, LEU61D, LEU62B, LEU62D, LYS238B, LYS238D, LYS4B, LYS4D, LYS54B, LYS54D, PRO0B, PRO0D, SER227B, SER227D, SER46B, SER46D, SER51B, SER51D, THR230B, THR230D, THR56B, THR56D, TRP197B, TRP197D, TRP233B, TRP233D, TRP236B, TRP236D, TRP52B, TRP52D, TYR234B, TYR234D, TYR235B, TYR235D, VAL2B, VAL2D, VAL58B, VAL58D
• C-D: ALA162C, ALA162D, ARG165C, ARG165D, ARG55C, ARG55D, ASN157C, ASN48C, ASN48D, ASN50C, ASN50D, ASN73C, ASN73D, ASN76C, ASN76D, ASP13C, ASP13D, ASP87C, ASP87D, GLN10C, GLN10D, GLN83C, GLN83D, GLU15C, GLU15D, GLU6C, GLU6D, GLY159C, GLY159D, GLY166C, GLY166D, GLY17C, GLY17D, GLY47C, GLY47D, GLY77C, GLY77D, GLY85C, GLY85D, HIS49C, HIS49D, ILE5C, ILE5D, LEU12C, LEU12D, LEU158C, LYS4C, LYS4D, LYS54C, LYS54D, PHE86C, PHE86D, PRO161C, PRO161D, SER160C, SER160D, SER46C, SER46D, SER51C, SER51D, SER75C, SER75D, SER9C, SER9D, THR74C, THR74D, THR82C, THR82D, TRP164C, TRP164D, TRP16C, TRP16D, TRP78C, TRP78D, TYR163C, TYR163D, TYR7C, TYR7D, TYR84C, TYR84D, TYR88C, TYR88D, TYR8C, TYR8D, VAL167C, VAL167D