1LKT

crystal structure of the head-binding domain of phage p22 tailspike protein

• Total interactions analyzed: 15
• Total true interactions: 9
• Strongest Interaction:
  • Chains: B-C
  • Int. Res.: 100
  • Norm. En. per Res.: -4.0934
• Hub Node: B(4)

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	-50.1909	-25.9586	-302.577	-378.7265	100	11	14	11608	2	9	12
A-C	-63.0188	-29.1258	-313.605	-405.7496	101	18	13	11879	2	10	12
B-C	-61.4186	-26.248	-321.673	-409.3397	100	16	12	12238	2	11	13
B-D	0.0	0.0	-0.0167	-0.0167	5	0	0	7	0	2	0
B-E	0.0	0.0	-0.0318	-0.0318	2	0	0	13	0	0	0
B-F	-6.7185	0.0	-11.2918	-18.0103	18	2	0	719	0	3	3
D-E	-42.1256	-25.8918	-289.408	-357.4254	101	19	11	11539	2	10	12
D-F	-39.2612	-33.0339	-297.694	-369.9891	97	21	11	11904	2	12	13
E-F	-47.4948	-30.0217	-312.929	-390.4455	101	20	14	11974	2	10	12

Interface residues

• A-B: ALA104A, ALA25A, ALA25B, ALA27B, ALA69B, ALA6B, ALA70A, ALA70B, ARG14A, ARG14B, ARG21A, ASN105A, ASN12B, ASN53B, ASN68B, ASN76B, ASN7B, ASP101A, ASP37A, ASP55B, GLN63A, GLN78B, GLN86A, GLU19A, GLU19B, GLU52A, GLU52B, GLU54B, GLY56A, GLY56B, GLY71A, GLY71B, GLY77B, GLY87A, HIS58A, HIS88A, ILE103A, ILE16A, ILE16B, ILE31A, ILE33A, ILE36A, ILE47A, ILE51A, ILE73A, ILE73B, ILE82A, ILE82B, ILE92A, LEU107A, LEU65A, LEU79B, LYS108A, LYS108B, LYS24A, LYS24B, LYS72B, LYS81A, LYS81B, MET90A, PHE17A, PHE17B, PHE23A, PHE23B, PRO13A, PRO13B, PRO15A, PRO15B, PRO48A, SER11A, SER11B, SER20A, SER22A, SER22B, SER89A, THR18A, THR18B, THR84A, TYR102A, TYR109A, TYR109B, TYR32A, TYR50A, TYR75B, VAL100A, VAL106A, VAL10A, VAL10B, VAL26A, VAL26B, VAL49A, VAL74B, VAL80A, VAL80B, VAL83A, VAL83B, VAL85A, VAL8B, VAL9A, VAL9B
• A-C: ALA104C, ALA25A, ALA25C, ALA27A, ALA69A, ALA6A, ALA70A, ALA70C, ARG14A, ARG14C, ARG21C, ASN105C, ASN12A, ASN53A, ASN68A, ASN76A, ASN7A, ASP101C, ASP37C, ASP55A, GLN78A, GLN86C, GLU19A, GLU19C, GLU52A, GLU52C, GLU54A, GLY56A, GLY56C, GLY71A, GLY71C, GLY77A, GLY87C, HIS58C, HIS88C, ILE103C, ILE16A, ILE16C, ILE31C, ILE33C, ILE36C, ILE47C, ILE51C, ILE61C, ILE73A, ILE73C, ILE82A, ILE82C, ILE92C, LEU107C, LEU65C, LEU79A, LYS108A, LYS108C, LYS24A, LYS24C, LYS72A, LYS72C, LYS81A, LYS81C, MET90C, PHE17A, PHE17C, PHE23A, PHE23C, PRO13A, PRO13C, PRO15A, PRO15C, PRO48C, SER11A, SER11C, SER20C, SER22A, SER22C, SER57C, THR18A, THR18C, THR84C, TYR102C, TYR109A, TYR109C, TYR32C, TYR50C, TYR75A, VAL100C, VAL106C, VAL10A, VAL10C, VAL26A, VAL26C, VAL49C, VAL74A, VAL80A, VAL80C, VAL83A, VAL83C, VAL85C, VAL8A, VAL9A, VAL9C
• B-C: ALA104B, ALA25B, ALA25C, ALA27C, ALA69C, ALA6C, ALA70B, ALA70C, ARG14B, ARG14C, ARG21B, ASN105B, ASN12C, ASN53C, ASN68C, ASN76C, ASN7C, ASP101B, ASP37B, ASP55C, GLN78C, GLN86B, GLU19B, GLU19C, GLU52B, GLU52C, GLU54C, GLY56C, GLY71B, GLY71C, GLY77C, GLY87B, HIS58B, HIS88B, ILE103B, ILE16B, ILE16C, ILE31B, ILE33B, ILE36B, ILE47B, ILE51B, ILE61B, ILE73B, ILE73C, ILE82B, ILE82C, ILE92B, LEU107B, LEU65B, LEU79C, LYS108B, LYS108C, LYS24B, LYS24C, LYS72C, LYS81B, LYS81C, MET90B, PHE17B, PHE17C, PHE23B, PHE23C, PRO13B, PRO13C, PRO15B, PRO15C, PRO48B, SER11B, SER11C, SER20B, SER22B, SER22C, SER57C, SER89B, THR18B, THR18C, THR84B, TYR102B, TYR109B, TYR109C, TYR32B, TYR50B, TYR75C, VAL100B, VAL106B, VAL10B, VAL10C, VAL26B, VAL26C, VAL49B, VAL74C, VAL80B, VAL80C, VAL83B, VAL83C, VAL85B, VAL8C, VAL9B, VAL9C
• B-D: ALA27B, ALA69B, ASN28B, GLY56D, HIS58D
• B-E: ASN28B, ASN7E
• B-F: ALA104F, ALA27B, ALA95B, ASN105F, ASN28B, ASN96B, ASP37F, ASP94B, GLN86F, GLY87F, GLY97B, HIS88F, ILE36F, LEU107F, LYS108F, LYS24B, SER98B, VAL106F
• D-E: ALA104D, ALA25D, ALA25E, ALA27E, ALA69E, ALA6E, ALA70D, ALA70E, ARG14D, ARG14E, ARG21D, ASN105D, ASN12E, ASN53E, ASN68E, ASN76E, ASN7E, ASP101D, ASP37D, ASP55E, GLN78E, GLN86D, GLU19D, GLU19E, GLU52D, GLU52E, GLU54E, GLY56D, GLY56E, GLY71D, GLY71E, GLY77E, GLY87D, HIS58D, HIS88D, ILE103D, ILE16D, ILE16E, ILE31D, ILE33D, ILE36D, ILE47D, ILE51D, ILE61D, ILE67D, ILE73D, ILE73E, ILE82D, ILE82E, ILE92D, LEU107D, LEU65D, LEU79E, LYS108D, LYS108E, LYS24D, LYS24E, LYS72D, LYS72E, LYS81D, LYS81E, MET90D, PHE17D, PHE17E, PHE23D, PHE23E, PRO13D, PRO13E, PRO15D, PRO15E, PRO48D, SER11D, SER11E, SER20D, SER22D, SER22E, SER89D, THR18D, THR18E, THR84D, TYR102D, TYR109D, TYR109E, TYR50D, TYR75E, VAL100D, VAL106D, VAL10D, VAL10E, VAL26D, VAL26E, VAL49D, VAL74E, VAL80D, VAL80E, VAL83D, VAL83E, VAL85D, VAL8E, VAL9D, VAL9E
• D-F: ALA104F, ALA25D, ALA25F, ALA27D, ALA69D, ALA6D, ALA70D, ALA70F, ARG14D, ARG14F, ARG21F, ASN105F, ASN12D, ASN53D, ASN68D, ASN76D, ASN7D, ASP101F, ASP37F, ASP55D, GLN78D, GLN86F, GLU19D, GLU19F, GLU52D, GLU52F, GLU54D, GLY56D, GLY56F, GLY71D, GLY71F, GLY77D, GLY87F, HIS58F, HIS88F, ILE103F, ILE16D, ILE16F, ILE31F, ILE33F, ILE36F, ILE47F, ILE51F, ILE73D, ILE73F, ILE82D, ILE82F, ILE92F, LEU107F, LEU65F, LEU79D, LYS108F, LYS24D, LYS24F, LYS72D, LYS81D, LYS81F, MET90F, PHE17D, PHE17F, PHE23D, PHE23F, PRO13D, PRO13F, PRO15D, PRO15F, PRO48F, SER11D, SER11F, SER20F, SER22D, SER22F, SER89F, THR18D, THR18F, THR84F, TYR102F, TYR109D, TYR109F, TYR32F, TYR50F, TYR75D, VAL100F, VAL106F, VAL10D, VAL26D, VAL26F, VAL49F, VAL74D, VAL80D, VAL80F, VAL83D, VAL83F, VAL85F, VAL8D, VAL9D, VAL9F
• E-F: ALA104E, ALA25E, ALA25F, ALA27F, ALA69F, ALA6F, ALA70E, ALA70F, ARG14E, ARG14F, ARG21E, ASN105E, ASN12F, ASN53F, ASN68F, ASN76F, ASN7E, ASN7F, ASP101E, ASP37E, ASP55F, GLN63E, GLN78F, GLN86E, GLU19E, GLU19F, GLU52E, GLU52F, GLU54F, GLY56F, GLY71E, GLY71F, GLY77F, GLY87E, HIS58E, HIS88E, ILE103E, ILE16E, ILE16F, ILE31E, ILE33E, ILE36E, ILE47E, ILE51E, ILE67E, ILE73E, ILE73F, ILE82E, ILE82F, ILE92E, LEU107E, LEU65E, LEU79F, LYS108E, LYS108F, LYS24E, LYS24F, LYS72F, LYS81E, LYS81F, MET90E, PHE17E, PHE17F, PHE23E, PHE23F, PRO13E, PRO13F, PRO15E, PRO15F, PRO48E, SER11E, SER11F, SER20E, SER22E, SER22F, SER89E, THR18E, THR18F, THR84E, TYR102E, TYR109E, TYR109F, TYR32E, TYR50E, TYR75F, VAL100E, VAL106E, VAL10E, VAL10F, VAL26E, VAL26F, VAL49E, VAL74F, VAL80E, VAL80F, VAL83E, VAL83F, VAL85E, VAL8F, VAL9E, VAL9F