3KXS

crystal structure of hbv capsid mutant dimer (oxy form), strain adyw

• Total interactions analyzed: 15
• Total true interactions: 6
• Strongest Interaction:
  • Chains: C-B
  • Int. Res.: 56
  • Norm. En. per Res.: -2.2146
• Hub Node: C(2)

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
F-E	-65.047	-110.0843	138.143	-36.9883	159	26	18	21645	10	40	55
F-A	0.0	4.0624	-67.5079	-63.4455	41	1	1	2912	0	9	9
E-D	-11.4717	5.7929	-95.075	-100.7538	55	5	5	4920	0	7	7
C-D	-59.5087	-99.5375	124.305	-34.7411	155	31	17	21320	7	38	55
C-B	-10.6782	-3.3897	-109.947	-124.0148	56	4	6	5136	0	9	9
A-B	-68.8472	-96.7147	-53.968	-219.5299	161	29	20	22266	10	40	57

Interface residues

• F-E: ALA11E, ALA11F, ALA34E, ALA34F, ALA35E, ALA35F, ALA36E, ALA36F, ALA41E, ALA41F, ALA54E, ALA54F, ALA58E, ALA58F, ALA69E, ALA69F, ALA80E, ARG112E, ARG112F, ARG39E, ARG39F, ARG56E, ARG56F, ARG82E, ASN75E, ASN75F, ASN90E, ASN90F, ASN92E, ASN92F, ASP2E, ASP2F, ASP32E, ASP32F, ASP40E, ASP40F, ASP4E, ASP4F, ASP64E, ASP64F, ASP78E, ASP83E, CYS48E, CYS48F, CYS61E, CYS61F, GLN57E, GLN57F, GLU43E, GLU43F, GLU46E, GLU46F, GLU77E, GLU77F, GLU8E, GLU8F, GLY10E, GLY10F, GLY63E, GLY63F, GLY73E, GLY73F, GLY94E, HIS104E, HIS104F, HIS47E, HIS47F, HIS51E, HIS51F, HIS52E, HIS52F, ILE105E, ILE105F, ILE3E, ILE3F, ILE59E, ILE59F, LEU100E, LEU100F, LEU101E, LEU101F, LEU30E, LEU30F, LEU31E, LEU31F, LEU37E, LEU37F, LEU42E, LEU42F, LEU55E, LEU55F, LEU60E, LEU60F, LEU65E, LEU65F, LEU68E, LEU68F, LEU76E, LEU76F, LEU84E, LEU84F, LYS7E, LYS7F, LYS96E, LYS96F, MET1E, MET1F, MET66E, MET66F, PHE103E, PHE103F, PHE97E, PHE97F, PHE9E, PHE9F, PRO45E, PRO45F, PRO50E, PRO50F, PRO5E, PRO5F, SER44E, SER44F, SER49E, SER49F, SER81E, SER87E, SER87F, THR12E, THR33E, THR33F, THR53E, THR53F, THR67E, THR67F, THR70E, THR70F, TRP62E, TRP62F, TRP71E, TRP71F, TYR38E, TYR38F, TYR6E, TYR6F, TYR88E, TYR88F, VAL13E, VAL13F, VAL72E, VAL72F, VAL85E, VAL85F, VAL86E, VAL86F, VAL89E, VAL89F, VAL93E, VAL93F
• F-A: ALA131F, ALA132F, ALA35A, ALA36A, ARG112A, ARG127F, ARG133F, ARG39A, ASP2F, ASP40A, CYS107A, GLU113A, GLU117A, GLU14F, GLY111A, GLY123F, HIS52A, ILE105A, ILE126F, ILE139A, LEU108A, LEU116A, LEU140A, LEU37A, PHE110A, PHE18F, PRO129F, PRO130F, PRO20F, SER106A, SER121A, SER17F, THR109A, THR114A, THR128F, THR12F, TRP125F, TYR118A, TYR38A, VAL115A, VAL13F
• E-D: ALA131D, ALA132D, ALA137E, ALA34E, ALA35E, ALA36E, ARG127D, ARG133D, ARG39E, ASN136D, ASN136E, ASP22E, ASP29E, ASP32E, GLU14D, GLY123D, ILE105E, ILE126D, ILE126E, ILE139E, LEU119D, LEU140E, LEU143E, LEU15D, LEU19E, LEU30E, LEU37E, PHE110E, PHE122E, PHE18D, PHE23E, PHE24E, PRO129D, PRO130D, PRO134D, PRO135D, PRO138D, PRO138E, PRO20E, PRO25E, SER106E, SER121D, SER141E, THR109E, THR128D, THR12D, THR142E, THR33E, TRP102E, TRP125D, TRP125E, TYR118E, TYR38E, VAL120D, VAL124D
• C-D: ALA11C, ALA11D, ALA34C, ALA34D, ALA35C, ALA35D, ALA36C, ALA36D, ALA41C, ALA41D, ALA54C, ALA54D, ALA58C, ALA58D, ALA69C, ALA69D, ALA80C, ARG112C, ARG112D, ARG28C, ARG39C, ARG39D, ARG56C, ARG56D, ARG82C, ASN75C, ASN75D, ASN90C, ASN92C, ASN92D, ASP2C, ASP2D, ASP32C, ASP32D, ASP40C, ASP40D, ASP4C, ASP4D, ASP64C, ASP64D, ASP83C, CYS48C, CYS48D, CYS61C, CYS61D, GLN57C, GLN57D, GLU43C, GLU43D, GLU46C, GLU46D, GLU77D, GLU8C, GLU8D, GLY10C, GLY10D, GLY63C, GLY63D, GLY73C, GLY73D, GLY94D, HIS104C, HIS104D, HIS47C, HIS47D, HIS51C, HIS51D, HIS52C, HIS52D, ILE105C, ILE3C, ILE3D, ILE59C, ILE59D, LEU100C, LEU100D, LEU30C, LEU31C, LEU31D, LEU37C, LEU37D, LEU42C, LEU42D, LEU55C, LEU55D, LEU60C, LEU60D, LEU65C, LEU65D, LEU68C, LEU68D, LEU76C, LEU76D, LEU84C, LEU84D, LYS7C, LYS7D, LYS96C, LYS96D, MET1C, MET1D, MET66C, MET66D, PHE103C, PHE103D, PHE97C, PHE97D, PHE9C, PHE9D, PRO45C, PRO45D, PRO50C, PRO50D, PRO5C, PRO5D, PRO79D, SER44C, SER44D, SER49C, SER49D, SER81C, SER81D, SER87C, SER87D, THR12C, THR33C, THR33D, THR53C, THR53D, THR67C, THR67D, THR70C, THR70D, TRP62C, TRP62D, TRP71C, TRP71D, TYR38C, TYR38D, TYR6C, TYR6D, TYR88C, TYR88D, VAL13C, VAL13D, VAL72C, VAL72D, VAL85C, VAL85D, VAL86C, VAL86D, VAL89C, VAL89D, VAL93C, VAL93D
• C-B: ALA131B, ALA132B, ALA137C, ALA34C, ALA35C, ALA36C, ARG127B, ARG133B, ARG39C, ASN136B, ASN136C, ASP22C, ASP29C, ASP32C, GLU14B, GLY123B, ILE105C, ILE126B, ILE126C, ILE139C, LEU119B, LEU140C, LEU15B, LEU19C, LEU30C, LEU37C, PHE110C, PHE122C, PHE18B, PHE23C, PHE24C, PRO129B, PRO130B, PRO134B, PRO135B, PRO138B, PRO138C, PRO20C, PRO25C, SER106C, SER121B, SER141C, SER17B, THR109C, THR128B, THR12B, THR142C, THR33C, TRP102C, TRP125B, TRP125C, TYR118C, TYR38C, VAL120B, VAL124B, VAL13B
• A-B: ALA11A, ALA34A, ALA34B, ALA35A, ALA35B, ALA36A, ALA36B, ALA41A, ALA41B, ALA54A, ALA54B, ALA58A, ALA58B, ALA69A, ALA69B, ALA80A, ARG112A, ARG112B, ARG39A, ARG39B, ARG56A, ARG56B, ARG82A, ASN75A, ASN75B, ASN90A, ASN92A, ASN92B, ASP2A, ASP2B, ASP32A, ASP32B, ASP40A, ASP40B, ASP4A, ASP4B, ASP64A, ASP64B, ASP78A, ASP78B, ASP83A, ASP83B, CYS48A, CYS48B, CYS61A, CYS61B, GLN57A, GLN57B, GLU43A, GLU43B, GLU46A, GLU46B, GLU77A, GLU77B, GLU8A, GLU8B, GLY10A, GLY10B, GLY63A, GLY63B, GLY73A, GLY73B, GLY94A, HIS104A, HIS104B, HIS47A, HIS47B, HIS51A, HIS51B, HIS52A, HIS52B, ILE105A, ILE105B, ILE3A, ILE3B, ILE59A, ILE59B, LEU100A, LEU100B, LEU101A, LEU101B, LEU30A, LEU30B, LEU31A, LEU31B, LEU37A, LEU37B, LEU42A, LEU42B, LEU55A, LEU55B, LEU60A, LEU60B, LEU65A, LEU65B, LEU68A, LEU68B, LEU76A, LEU76B, LEU84A, LEU84B, LYS7A, LYS7B, LYS96A, LYS96B, MET1A, MET1B, MET66A, MET66B, PHE103A, PHE103B, PHE97A, PHE97B, PHE9A, PHE9B, PRO45A, PRO45B, PRO50A, PRO50B, PRO5A, PRO5B, PRO79B, SER44A, SER44B, SER49A, SER49B, SER81A, SER81B, SER87A, SER87B, THR12A, THR33A, THR33B, THR53A, THR53B, THR67A, THR67B, THR70A, THR70B, THR91B, TRP62A, TRP62B, TRP71A, TRP71B, TYR38A, TYR38B, TYR6A, TYR6B, TYR88A, TYR88B, VAL13B, VAL72A, VAL72B, VAL85A, VAL85B, VAL86A, VAL86B, VAL89A, VAL89B, VAL93A, VAL93B