2DYY

crystal structure of putative translation initiation inhibitor ph0854 from pyrococcus horikoshii

• Total interactions analyzed: 66
• Total true interactions: 25
• Strongest Interaction:
  • Chains: B-C
  • Int. Res.: 94
  • Norm. En. per Res.: -4.0765
• Hub Node: B(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	-49.8497	-50.1882	-284.503	-384.5408	97	17	15	11518	2	23	24
A-C	-32.5278	-28.9704	-279.749	-341.2472	95	6	16	11414	1	19	22
A-D	0.0	0.0	-0.0003	-0.0003	2	0	0	1	0	2	0
A-F	0.0	0.0	-0.0164	-0.0164	3	0	0	11	0	2	2
B-C	-45.8446	-34.8522	-302.492	-383.1889	94	9	15	11778	2	20	25
B-D	-54.5648	15.0351	-151.717	-191.2467	58	8	6	5644	1	19	20
B-F	0.0	0.0	-0.0056	-0.0056	4	0	0	7	0	2	0
B-J	-11.2598	-12.2681	-71.697	-95.2248	47	5	0	3487	4	23	31
B-K	0.0	0.0	-0.0003	-0.0003	2	0	0	1	0	1	0
C-J	0.0	0.0	-0.0579	-0.0579	3	0	0	29	0	0	0
D-E	-28.0118	-20.9628	-274.304	-323.2786	96	8	16	11126	1	20	22
D-F	-56.6374	-27.0312	-263.507	-347.1756	93	13	15	11030	1	17	20
D-H	-11.2619	12.3174	-33.3699	-32.3144	28	0	0	1563	1	8	10
D-K	0.0	14.1504	-9.8349	4.3156	12	2	0	470	0	6	7
E-F	-46.8878	-46.9339	-276.812	-370.6338	95	11	14	11304	3	18	22
E-G	-12.893	3.9404	-45.7015	-54.6541	28	1	0	1676	2	8	12
E-H	0.0	0.8251	-77.5738	-76.7487	40	4	0	3710	0	5	7
E-K	0.0	0.0	-0.0003	-0.0003	2	0	0	1	0	2	1
G-H	-22.7414	-42.6385	-276.356	-341.7359	96	10	14	11479	2	20	20
G-I	-39.5994	-31.9561	-252.351	-323.9064	89	11	15	10907	1	19	21
H-I	-55.5679	-54.2288	-270.682	-380.4787	98	22	15	11583	4	22	25
H-K	0.0	69.5621	-13.0836	56.4785	36	0	0	922	0	19	23
J-K	-42.8949	-26.9531	-265.944	-335.792	93	18	15	10915	2	19	21
J-L	-38.2423	-42.8879	-273.085	-354.2152	96	17	15	11801	2	20	21
K-L	-28.3249	-31.169	-264.113	-323.6069	95	13	15	11493	2	22	22

Interface residues

• A-B: ALA102A, ALA105A, ALA121B, ALA123A, ALA20B, ALA23B, ALA30B, ALA93A, ARG103A, ARG110A, ARG110B, ASN25A, ASN25B, ASN70A, ASN83A, ASN89A, ASP114B, ASP71A, ASP81A, ASP81B, ASP84A, GLN19B, GLN32B, GLU107A, GLU107B, GLU118B, GLU120A, GLU120B, GLU126A, GLU3B, GLU90A, GLU94A, GLU98A, GLY15B, GLY24B, GLY31B, GLY97A, ILE119B, ILE122A, ILE122B, ILE14B, ILE21B, ILE29B, ILE33B, ILE5B, ILE73A, LEU111B, LEU27B, LEU69A, LEU79A, LEU79B, LYS100A, LYS113B, LYS125A, LYS22B, LYS2B, LYS74A, LYS74B, LYS80A, LYS80B, MET1B, MET88A, PHE26A, PHE26B, PHE28A, PHE28B, PHE85A, PHE96A, PRO101A, PRO112B, PRO13B, PRO16B, SER109A, SER109B, SER18B, SER68A, SER99A, THR76A, THR76B, TYR124A, TYR124B, TYR17B, TYR78A, TYR78B, TYR92A, TYR95A, VAL104A, VAL106A, VAL106B, VAL108A, VAL108B, VAL4B, VAL72A, VAL75A, VAL77A, VAL77B, VAL91A
• A-C: ALA102C, ALA105C, ALA121A, ALA123C, ALA20A, ALA23A, ALA30A, ALA93C, ARG103C, ARG110A, ARG110C, ASN25A, ASN25C, ASN70C, ASN89C, ASP71C, ASP81C, GLN19A, GLN32A, GLU107A, GLU107C, GLU118A, GLU120A, GLU120C, GLU126C, GLU3A, GLU90C, GLU94C, GLU98C, GLY15A, GLY24A, GLY31A, GLY97C, ILE119A, ILE119C, ILE122A, ILE122C, ILE14A, ILE21A, ILE29A, ILE33A, ILE5A, ILE61A, ILE73C, LEU111A, LEU27A, LEU55C, LEU69C, LEU79A, LEU79C, LYS100C, LYS113A, LYS125C, LYS12A, LYS22A, LYS2A, LYS74A, LYS74C, LYS80C, MET1A, PHE26A, PHE26C, PHE28A, PHE28C, PHE6A, PHE96C, PRO101C, PRO112A, PRO13A, PRO16A, SER109A, SER109C, SER18A, SER99C, THR76A, THR76C, TYR124A, TYR124C, TYR17A, TYR78A, TYR78C, TYR92C, TYR95C, VAL104C, VAL106A, VAL106C, VAL108A, VAL108C, VAL115A, VAL4A, VAL72C, VAL75C, VAL77A, VAL77C, VAL91C
• A-D: LYS100A, VAL4D
• A-F: GLU98A, GLU98F, LYS100A
• B-C: ALA102B, ALA105B, ALA121C, ALA123B, ALA20C, ALA23C, ALA30C, ALA93B, ARG103B, ARG110B, ARG110C, ASN25B, ASN25C, ASN70B, ASN89B, ASP114C, ASP71B, ASP81B, GLN19C, GLN32C, GLU107B, GLU107C, GLU118C, GLU120B, GLU120C, GLU126B, GLU3C, GLU90B, GLU94B, GLU98B, GLY15C, GLY24C, GLY31C, GLY97B, ILE119B, ILE119C, ILE122B, ILE122C, ILE14C, ILE21C, ILE29C, ILE33C, ILE5C, ILE61C, ILE73B, LEU111C, LEU27C, LEU55B, LEU69B, LEU79B, LEU79C, LYS100B, LYS125B, LYS22C, LYS2C, LYS74B, LYS74C, LYS80B, LYS80C, MET1C, PHE26B, PHE26C, PHE28B, PHE28C, PHE96B, PRO101B, PRO112C, PRO13C, PRO16C, SER109B, SER109C, SER18C, SER99B, THR76B, THR76C, TYR124B, TYR124C, TYR17C, TYR78B, TYR78C, TYR92B, TYR95B, VAL104B, VAL104C, VAL106B, VAL106C, VAL108B, VAL108C, VAL4C, VAL72B, VAL75B, VAL77B, VAL77C, VAL91B
• B-D: ALA10B, ALA10D, ALA20B, ALA20D, ALA60B, ALA60D, ALA64B, ALA64D, ALA65B, ALA65D, ASN9B, ASN9D, GLN19B, GLN19D, GLU3B, GLU3D, GLU63B, GLU63D, GLU8B, GLU8D, GLY66B, GLY66D, ILE14B, ILE14D, ILE21B, ILE21D, ILE5B, ILE5D, ILE61B, ILE61D, LEU27B, LEU27D, LEU62B, LEU62D, LYS125B, LYS125D, LYS12B, LYS12D, LYS22B, LYS22D, LYS2B, LYS2D, LYS38B, LYS38D, MET1B, MET1D, PHE6B, PHE6D, PRO13B, PRO13D, PRO37B, PRO37D, THR7B, THR7D, TYR67B, TYR67D, VAL4B, VAL4D
• B-F: GLU126F, LYS100F, LYS12B, VAL4B
• B-J: ALA93B, ALA93J, ARG52B, ARG52J, ASN70B, ASN70J, ASN89B, ASP46B, ASP49B, ASP71J, GLU56B, GLU56J, GLU63B, GLU63J, GLU90B, GLU90J, GLU94B, GLU94J, GLU98B, GLU98J, GLY66J, GLY97B, GLY97J, LEU55B, LEU55J, LEU69B, LEU69J, LYS100B, LYS100J, LYS125J, LYS48B, LYS48J, LYS59B, LYS59J, PHE96B, PHE96J, SER68B, SER68J, SER99B, SER99J, THR51B, TYR67J, TYR92B, TYR95B, TYR95J, VAL91B, VAL91J
• B-K: ARG52B, PRO16K
• C-J: GLY15C, LYS59J, PRO16C
• D-E: ALA102D, ALA105D, ALA121E, ALA123D, ALA20E, ALA23E, ALA30E, ALA93D, ARG103D, ARG110D, ARG110E, ASN25D, ASN25E, ASN70D, ASN83D, ASN89D, ASP114E, ASP71D, ASP81D, GLN19E, GLN32E, GLU107D, GLU107E, GLU118E, GLU120D, GLU120E, GLU126D, GLU3E, GLU90D, GLU94D, GLU98D, GLY15E, GLY24E, GLY31E, GLY97D, ILE119E, ILE122D, ILE122E, ILE14E, ILE21E, ILE29E, ILE33E, ILE5E, ILE61E, ILE73D, LEU111E, LEU27E, LEU69D, LEU79D, LEU79E, LYS100D, LYS113E, LYS125D, LYS22E, LYS2E, LYS74D, LYS74E, LYS80D, LYS80E, MET1E, MET82D, MET88D, PHE26D, PHE26E, PHE28D, PHE28E, PHE85D, PHE96D, PRO101D, PRO112E, PRO13E, PRO16E, SER109D, SER109E, SER18E, SER68D, SER99D, THR76D, THR76E, TYR124D, TYR124E, TYR17E, TYR78D, TYR78E, TYR92D, TYR95D, VAL104D, VAL106D, VAL106E, VAL108D, VAL108E, VAL4E, VAL72D, VAL75D, VAL77D, VAL91D
• D-F: ALA102F, ALA105F, ALA121D, ALA123F, ALA20D, ALA23D, ALA30D, ALA93F, ARG103F, ARG110D, ARG110F, ASN25D, ASN25F, ASN70F, ASN89F, ASP114D, ASP71F, GLN19D, GLN32D, GLU107D, GLU107F, GLU118D, GLU120D, GLU120F, GLU126F, GLU3D, GLU90F, GLU94F, GLU98F, GLY15D, GLY24D, GLY31D, GLY97F, ILE119D, ILE122D, ILE122F, ILE14D, ILE21D, ILE29D, ILE33D, ILE5D, ILE73F, LEU111D, LEU27D, LEU69F, LEU79D, LEU79F, LYS100F, LYS113D, LYS125F, LYS12D, LYS22D, LYS2D, LYS74D, LYS74F, LYS80D, LYS80F, MET1D, MET88F, PHE26D, PHE26F, PHE28D, PHE28F, PHE96F, PRO101F, PRO112D, PRO13D, PRO16D, SER109D, SER109F, SER18D, SER99F, THR76D, THR76F, TYR124D, TYR124F, TYR17D, TYR78D, TYR78F, TYR92F, TYR95F, VAL104D, VAL104F, VAL106D, VAL106F, VAL108D, VAL108F, VAL4D, VAL72F, VAL75D, VAL75F, VAL77D, VAL91F
• D-H: ALA10H, ALA86D, ALA93D, ARG103D, ASN89D, ASN9H, ASP36H, GLU41H, GLU8H, GLU90D, GLU94D, GLU98D, GLY40H, GLY97D, ILE42H, LYS100D, LYS12H, LYS38H, LYS87D, MET88D, PHE85D, PHE96D, PRO37H, THR39H, TYR92D, TYR95D, VAL43H, VAL91D
• D-K: ASN70D, ASN9K, GLU8K, GLU98D, GLY97D, LEU69D, LYS59D, PHE6K, SER68D, SER99D, THR7K, VAL4K
• E-F: ALA102E, ALA105E, ALA121F, ALA123E, ALA20F, ALA23F, ALA30F, ALA86E, ALA93E, ARG103E, ARG110E, ARG110F, ASN25E, ASN25F, ASN70E, ASN89E, ASP114F, ASP71E, ASP81E, GLN19F, GLN32F, GLU107E, GLU107F, GLU118F, GLU120E, GLU120F, GLU3F, GLU90E, GLU94E, GLU98E, GLY15F, GLY24F, GLY31F, GLY97E, ILE119F, ILE122E, ILE122F, ILE14F, ILE21F, ILE29F, ILE33F, ILE5F, ILE73E, LEU111F, LEU27F, LEU69E, LEU79E, LEU79F, LYS100E, LYS113F, LYS125E, LYS12F, LYS22F, LYS2F, LYS74E, LYS74F, LYS80E, LYS80F, MET88E, PHE26E, PHE26F, PHE28E, PHE28F, PHE6F, PHE96E, PRO101E, PRO112F, PRO13F, PRO16F, SER109E, SER109F, SER18F, SER68E, SER99E, THR76E, THR76F, TYR124E, TYR124F, TYR17F, TYR78E, TYR78F, TYR92E, TYR95E, VAL104E, VAL106E, VAL106F, VAL108E, VAL108F, VAL4F, VAL72E, VAL75E, VAL75F, VAL77E, VAL77F, VAL91E
• E-G: ALA86G, ALA93G, ARG103G, ASN89G, ASN9E, ASP36E, GLU41E, GLU8E, GLU90G, GLU94G, GLU98G, GLY40E, GLY97G, ILE42E, LYS100G, LYS12E, LYS38E, LYS87G, MET88G, PHE6E, PHE85G, PHE96G, PRO37E, SER99G, THR39E, TYR92G, VAL43E, VAL91G
• E-H: ASP36E, ASP36H, GLN19E, GLN19H, GLU41E, GLU41H, GLU8E, GLU8H, GLY15E, GLY15H, GLY40E, GLY40H, ILE14E, ILE14H, ILE35E, ILE35H, ILE5H, LYS113E, LYS12E, LYS12H, LYS38E, LYS38H, PHE6E, PHE6H, PRO11E, PRO11H, PRO13E, PRO13H, PRO16E, PRO16H, PRO37E, PRO37H, SER18E, SER18H, THR39E, THR39H, TYR17E, TYR17H, VAL4E, VAL4H
• E-K: LYS38K, VAL4E
• G-H: ALA102G, ALA105G, ALA121H, ALA123G, ALA20H, ALA23H, ALA30H, ALA93G, ARG103G, ARG110G, ARG110H, ASN25G, ASN25H, ASN70G, ASN83G, ASN89G, ASP114H, ASP71G, ASP81G, ASP84G, GLN19H, GLN32H, GLU107G, GLU107H, GLU118H, GLU120G, GLU120H, GLU126G, GLU3H, GLU90G, GLU94G, GLU98G, GLY15H, GLY24H, GLY31H, GLY97G, ILE119H, ILE122G, ILE122H, ILE14H, ILE21H, ILE29H, ILE33H, ILE5H, ILE73G, LEU111H, LEU27H, LEU69G, LEU79G, LEU79H, LYS100G, LYS113H, LYS125G, LYS22H, LYS2H, LYS74G, LYS74H, LYS80G, MET1H, MET82G, MET88G, PHE26G, PHE26H, PHE28G, PHE28H, PHE6H, PHE85G, PHE96G, PRO101G, PRO112H, PRO13H, PRO16H, SER109G, SER109H, SER18H, SER99G, THR76G, THR76H, TYR124G, TYR124H, TYR17H, TYR78G, TYR78H, TYR92G, TYR95G, VAL104G, VAL104H, VAL106G, VAL106H, VAL108G, VAL108H, VAL4H, VAL72G, VAL75G, VAL77G, VAL91G
• G-I: ALA102I, ALA105I, ALA121G, ALA123I, ALA20G, ALA23G, ALA30G, ALA93I, ARG103I, ARG110G, ARG110I, ASN25G, ASN25I, ASN70I, ASP114G, ASP71I, ASP81I, GLN19G, GLN32G, GLU107G, GLU107I, GLU118G, GLU120G, GLU120I, GLU126I, GLU3G, GLU94I, GLU98I, GLY15G, GLY24G, GLY24I, GLY31G, GLY97I, ILE119G, ILE122G, ILE122I, ILE14G, ILE21G, ILE29G, ILE33G, ILE5G, ILE73I, LEU111G, LEU27G, LEU69I, LEU79G, LEU79I, LYS100I, LYS113G, LYS125I, LYS22G, LYS2G, LYS74G, LYS74I, LYS80I, PHE26G, PHE26I, PHE28G, PHE28I, PHE96I, PRO101I, PRO112G, PRO13G, PRO16G, SER109G, SER109I, SER18G, SER68I, SER99I, THR76G, THR76I, TYR124G, TYR124I, TYR17G, TYR78G, TYR78I, TYR92I, TYR95I, VAL104I, VAL106G, VAL106I, VAL108G, VAL108I, VAL4G, VAL72I, VAL75I, VAL77G, VAL77I, VAL91I
• H-I: ALA102H, ALA105H, ALA121I, ALA123H, ALA20I, ALA23I, ALA30I, ALA86H, ALA93H, ARG103H, ARG110H, ARG110I, ASN25H, ASN25I, ASN70H, ASN89H, ASP114I, ASP71H, ASP81H, GLN19I, GLN32I, GLU107H, GLU107I, GLU118I, GLU120H, GLU120I, GLU126H, GLU3I, GLU90H, GLU94H, GLU98H, GLY15I, GLY24I, GLY31I, GLY97H, ILE119H, ILE119I, ILE122H, ILE122I, ILE14I, ILE21I, ILE29I, ILE33I, ILE5I, ILE73H, LEU111I, LEU27I, LEU55H, LEU69H, LEU79H, LEU79I, LYS100H, LYS113I, LYS125H, LYS22I, LYS2I, LYS74H, LYS74I, LYS80H, LYS80I, MET88H, PHE26H, PHE26I, PHE28H, PHE28I, PHE85H, PHE96H, PRO101H, PRO112I, PRO13I, PRO16I, SER109H, SER109I, SER18I, SER68H, SER99H, THR51H, THR76H, THR76I, TYR124H, TYR124I, TYR17I, TYR78H, TYR78I, TYR92H, TYR95H, VAL104H, VAL104I, VAL106H, VAL106I, VAL108H, VAL108I, VAL4I, VAL72H, VAL75H, VAL77H, VAL77I, VAL91H
• H-K: ALA60H, ALA64K, ALA65K, ALA93K, ARG52H, ARG52K, ASN70H, ASN70K, ASN9H, ASN9K, GLU56H, GLU56K, GLU63H, GLU63K, GLU8H, GLU90K, GLU94H, GLU94K, GLU98H, GLU98K, GLY66K, GLY97H, GLY97K, LEU69H, LEU69K, LYS38H, LYS38K, LYS48K, LYS59H, LYS59K, SER68H, SER68K, SER99K, THR7K, TYR95H, TYR95K
• J-K: ALA102J, ALA105J, ALA121K, ALA123J, ALA20K, ALA23K, ALA30K, ALA93J, ARG103J, ARG110J, ARG110K, ASN25J, ASN25K, ASN70J, ASN83J, ASN89J, ASP114K, ASP71J, ASP84J, GLN19K, GLN32K, GLU107J, GLU107K, GLU118K, GLU120J, GLU120K, GLU126J, GLU3K, GLU90J, GLU94J, GLU98J, GLY15K, GLY24K, GLY31K, GLY97J, ILE119K, ILE122J, ILE122K, ILE14K, ILE21K, ILE29K, ILE33K, ILE5K, ILE73J, LEU111K, LEU27K, LEU69J, LEU79J, LEU79K, LYS100J, LYS113K, LYS125J, LYS22K, LYS2K, LYS74J, LYS74K, LYS80J, LYS80K, PHE26J, PHE26K, PHE28J, PHE28K, PHE85J, PHE96J, PRO101J, PRO112K, PRO13K, PRO16K, SER109J, SER109K, SER18K, SER99J, THR76J, THR76K, TYR124J, TYR124K, TYR17K, TYR78J, TYR78K, TYR92J, TYR95J, VAL104J, VAL104K, VAL106J, VAL106K, VAL108J, VAL108K, VAL4K, VAL72J, VAL75J, VAL77J, VAL77K, VAL91J
• J-L: ALA102L, ALA105L, ALA121J, ALA123L, ALA20J, ALA23J, ALA30J, ALA93L, ARG103L, ARG110J, ARG110L, ASN25J, ASN25L, ASN70L, ASN89L, ASP114J, ASP71L, ASP81L, GLN19J, GLN32J, GLU107J, GLU107L, GLU118J, GLU120J, GLU120L, GLU126L, GLU3J, GLU90L, GLU94L, GLU98L, GLY15J, GLY24J, GLY31J, GLY97L, ILE119J, ILE119L, ILE122J, ILE122L, ILE14J, ILE21J, ILE29J, ILE33J, ILE5J, ILE73L, LEU111J, LEU27J, LEU55L, LEU69L, LEU79J, LEU79L, LYS100L, LYS113J, LYS125L, LYS12J, LYS22J, LYS2J, LYS74J, LYS74L, LYS80J, LYS80L, MET1J, PHE26J, PHE26L, PHE28J, PHE28L, PHE96L, PRO101L, PRO112J, PRO13J, PRO16J, SER109J, SER109L, SER18J, SER68L, SER99L, THR51L, THR76J, THR76L, TYR124J, TYR124L, TYR17J, TYR78J, TYR78L, TYR92L, TYR95L, VAL104L, VAL106J, VAL106L, VAL108J, VAL108L, VAL4J, VAL72L, VAL75L, VAL77J, VAL77L, VAL91L
• K-L: ALA102K, ALA105K, ALA121L, ALA123K, ALA20L, ALA23L, ALA30L, ALA86K, ALA93K, ARG103K, ARG110L, ASN25K, ASN25L, ASN70K, ASN89K, ASP114L, ASP71K, ASP81K, ASP84K, GLN19L, GLN32L, GLU107K, GLU107L, GLU118L, GLU120K, GLU120L, GLU126K, GLU3L, GLU90K, GLU94K, GLU98K, GLY15L, GLY24L, GLY31L, GLY97K, ILE119L, ILE122K, ILE122L, ILE14L, ILE21L, ILE29L, ILE33L, ILE5L, ILE73K, LEU111L, LEU27L, LEU69K, LEU79K, LYS100K, LYS113L, LYS125K, LYS22L, LYS2L, LYS74K, LYS74L, LYS80K, LYS87K, MET1L, MET88K, PHE26K, PHE26L, PHE28K, PHE28L, PHE85K, PHE96K, PRO101K, PRO112L, PRO13L, PRO16L, SER109K, SER109L, SER18L, SER68K, SER99K, THR76K, THR76L, TYR124K, TYR124L, TYR17L, TYR78K, TYR78L, TYR92K, TYR95K, VAL104K, VAL104L, VAL106K, VAL106L, VAL108K, VAL108L, VAL4L, VAL72K, VAL75K, VAL77K, VAL77L, VAL91K