3MQC

crystal structure of ectodomain of bst-2/tetherin/cd317 (p21)

• Total interactions analyzed: 6
• Total true interactions: 6
• Strongest Interaction:
  • Chains: A-C
  • Int. Res.: 80
  • Norm. En. per Res.: -3.1905
• 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	-36.706	320.745	284.039	160	12	34	17142	2	47	56
A-C	-17.9556	-2.3565	-234.93	-255.2421	80	16	8	9505	0	11	11
A-D	-3.4253	-1.6001	-172.727	-177.7524	77	8	12	8002	0	26	22
B-C	0.0	-11.9295	-148.758	-160.6875	73	6	11	7491	0	26	21
B-D	-17.8952	-1.0837	-218.675	-237.6539	78	22	8	9392	0	11	11
C-D	-2.1159	-44.7491	297.324	250.4591	161	17	33	17178	2	48	55

Interface residues

• A-B: ALA109A, ALA109B, ALA19A, ALA19B, ALA37A, ALA37B, ALA48A, ALA48B, ALA49A, ALA57A, ALA57B, ALA60A, ALA60B, ALA64A, ALA64B, ALA67A, ALA67B, ALA90A, ALA90B, ALA92A, ALA92B, ARG107A, ARG107B, ARG96A, ARG96B, ARG98A, ARG98B, ARG99A, ARG99B, ASN101A, ASN101B, ASN52A, ASN52B, ASN84A, ASN84B, ASP43A, ASP43B, ASP63A, ASP63B, ASP89A, ASP89B, CYS23A, CYS23B, CYS51A, CYS51B, GLN102A, GLN102B, GLN31A, GLN31B, GLN38A, GLN38B, GLN42A, GLN42B, GLN47A, GLN47B, GLN68A, GLN68B, GLN70A, GLN70B, GLN88A, GLN88B, GLU100A, GLU100B, GLU33A, GLU33B, GLU36A, GLU36B, GLU45A, GLU45B, GLU65A, GLU65B, GLU74A, GLU74B, GLU75A, GLU75B, GLU77A, GLU77B, GLU79A, GLU79B, GLU93A, GLU93B, GLU95A, GLU95B, GLY16A, GLY16B, GLY40A, GLY40B, GLY69A, GLY69B, GLY78A, GLY78B, HIS53A, HIS53B, HIS85A, HIS85B, ILE108A, ILE108B, ILE80A, ILE80B, LEU104A, LEU104B, LEU30A, LEU30B, LEU34A, LEU34B, LEU58A, LEU58B, LEU62A, LEU62B, LEU76A, LEU76B, LEU83A, LEU83B, LEU87A, LEU87B, LEU97A, LEU97B, LYS39A, LYS39B, LYS66A, LYS66B, LYS72A, LYS72B, LYS86A, LYS86B, PHE41A, PHE41B, SER105A, SER105B, SER61A, SER61B, SER91A, SER91B, THR27A, THR27B, THR35B, THR50A, THR50B, THR54A, THR54B, THR81A, THR81B, THR82A, THR82B, VAL103A, VAL103B, VAL106A, VAL106B, VAL20A, VAL20B, VAL26A, VAL26B, VAL44A, VAL44B, VAL55A, VAL55B, VAL73A, VAL73B, VAL94A, VAL94B
• A-C: ALA12A, ALA12C, ALA19A, ALA19C, ALA37A, ALA37C, ALA46A, ALA46C, ALA48A, ALA48C, ALA49A, ALA49C, ARG14A, ARG14C, ARG18A, ARG18C, ARG24A, ARG24C, ASN25A, ASN25C, ASN52A, ASN52C, ASP15A, ASP15C, ASP43A, ASP43C, CYS13A, CYS13C, CYS23A, CYS23C, GLN31A, GLN31C, GLN32A, GLN32C, GLN38A, GLN38C, GLN42A, GLN42C, GLN47A, GLN47C, GLU11A, GLU11C, GLU22A, GLU22C, GLU33A, GLU33C, GLU36A, GLU36C, GLU45A, GLU45C, GLY16A, GLY16C, GLY40A, GLY40C, HIS28A, HIS28C, LEU17A, LEU17C, LEU29A, LEU29C, LEU30A, LEU30C, LEU34A, LEU34C, LYS39A, LYS39C, PHE41A, PHE41C, SER10A, SER10C, THR27A, THR27C, THR35A, THR35C, VAL20A, VAL20C, VAL26A, VAL26C, VAL44A, VAL44C
• A-D: ALA12A, ALA12D, ALA19A, ALA19D, ALA37A, ALA37D, ALA46A, ALA46D, ALA48A, ALA48D, ARG14A, ARG14D, ARG18A, ARG18D, ARG24A, ARG24D, ASN25A, ASN25D, ASP15A, ASP15D, ASP43A, ASP43D, CYS13A, CYS13D, CYS23A, CYS23D, CYS51D, GLN31A, GLN31D, GLN32A, GLN32D, GLN38A, GLN38D, GLN42A, GLN42D, GLN47A, GLN47D, GLU11A, GLU11D, GLU22A, GLU22D, GLU33A, GLU33D, GLU36A, GLU36D, GLU45A, GLU45D, GLY16A, GLY16D, GLY40A, GLY40D, HIS28A, HIS28D, LEU17A, LEU17D, LEU29A, LEU29D, LEU30A, LEU30D, LEU34A, LEU34D, LYS39A, LYS39D, PHE41A, PHE41D, SER10A, SER10D, THR27A, THR27D, THR35A, THR35D, VAL20A, VAL20D, VAL26A, VAL26D, VAL44A, VAL44D
• B-C: ALA12B, ALA12C, ALA19B, ALA19C, ALA37B, ALA37C, ALA46B, ARG14B, ARG14C, ARG18B, ARG18C, ARG24B, ARG24C, ASN25B, ASN25C, ASP15B, ASP15C, ASP43B, ASP43C, CYS13B, CYS13C, CYS23B, CYS23C, GLN31B, GLN31C, GLN32B, GLN32C, GLN38B, GLN38C, GLN42B, GLN42C, GLN47B, GLN47C, GLU11B, GLU11C, GLU22B, GLU22C, GLU33B, GLU33C, GLU36B, GLU36C, GLU45B, GLU45C, GLY16B, GLY16C, GLY40B, GLY40C, HIS28B, HIS28C, LEU17B, LEU17C, LEU29B, LEU29C, LEU30B, LEU30C, LEU34B, LEU34C, LYS39B, LYS39C, PHE41B, PHE41C, SER10B, SER10C, THR27B, THR27C, THR35B, THR35C, VAL20B, VAL20C, VAL26B, VAL26C, VAL44B, VAL44C
• B-D: ALA12B, ALA12D, ALA19B, ALA19D, ALA37B, ALA37D, ALA46B, ALA46D, ALA48B, ALA48D, ALA49B, ALA49D, ARG14B, ARG14D, ARG18B, ARG18D, ARG24B, ARG24D, ASN25B, ASN25D, ASN52B, ASN52D, ASP15B, ASP15D, ASP43B, ASP43D, CYS13B, CYS13D, CYS23B, CYS23D, GLN31B, GLN31D, GLN32B, GLN32D, GLN38B, GLN38D, GLN42B, GLN42D, GLU11B, GLU11D, GLU22B, GLU22D, GLU33B, GLU33D, GLU36B, GLU36D, GLU45B, GLU45D, GLY16B, GLY16D, GLY40B, GLY40D, HIS28B, HIS28D, LEU17B, LEU17D, LEU29B, LEU29D, LEU30B, LEU30D, LEU34B, LEU34D, LYS39B, LYS39D, PHE41B, PHE41D, SER10B, SER10D, THR27B, THR27D, THR35B, THR35D, VAL20B, VAL20D, VAL26B, VAL26D, VAL44B, VAL44D
• C-D: ALA109C, ALA109D, ALA19C, ALA19D, ALA37C, ALA37D, ALA48C, ALA48D, ALA57C, ALA57D, ALA60C, ALA60D, ALA64C, ALA64D, ALA67C, ALA67D, ALA90C, ALA90D, ALA92C, ALA92D, ARG107C, ARG107D, ARG24C, ARG24D, ARG96C, ARG96D, ARG98C, ARG98D, ARG99C, ARG99D, ASN101C, ASN101D, ASN52C, ASN52D, ASN84C, ASN84D, ASP43C, ASP43D, ASP63C, ASP63D, ASP89C, ASP89D, CYS23C, CYS23D, CYS51C, CYS51D, GLN102C, GLN102D, GLN31C, GLN31D, GLN38C, GLN38D, GLN42C, GLN42D, GLN47C, GLN47D, GLN68C, GLN68D, GLN70C, GLN70D, GLN88C, GLN88D, GLU100C, GLU100D, GLU33C, GLU33D, GLU36C, GLU36D, GLU45C, GLU45D, GLU65C, GLU65D, GLU74C, GLU74D, GLU75C, GLU75D, GLU77C, GLU77D, GLU79C, GLU79D, GLU93C, GLU93D, GLU95C, GLU95D, GLY16C, GLY16D, GLY40C, GLY40D, GLY69C, GLY69D, GLY78C, GLY78D, HIS53C, HIS53D, HIS85C, HIS85D, ILE108C, ILE108D, ILE80C, ILE80D, LEU104C, LEU104D, LEU30C, LEU30D, LEU34C, LEU34D, LEU58C, LEU58D, LEU62C, LEU62D, LEU76C, LEU76D, LEU83C, LEU83D, LEU87C, LEU87D, LEU97C, LEU97D, LYS39C, LYS39D, LYS66C, LYS66D, LYS72C, LYS72D, LYS86C, LYS86D, PHE41C, PHE41D, SER105C, SER105D, SER61C, SER61D, SER91C, SER91D, THR27C, THR27D, THR35C, THR50C, THR50D, THR54C, THR54D, THR81C, THR81D, THR82C, THR82D, VAL103C, VAL103D, VAL106C, VAL106D, VAL20C, VAL20D, VAL26C, VAL26D, VAL44C, VAL44D, VAL55C, VAL55D, VAL73C, VAL73D, VAL94C, VAL94D