1NQ3

crystal structure of the mammalian tumor associated antigen uk114

• Total interactions analyzed: 15
• Total true interactions: 9
• Strongest Interaction:
  • Chains: B-C
  • Int. Res.: 100
  • Norm. En. per Res.: -4.6511
• Hub Node: B(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	-84.0753	-13.484	-339.039	-436.5983	101	17	21	13616	1	9	9
A-C	-93.0313	-12.7723	-331.359	-437.1627	101	18	21	13387	1	9	9
B-C	-103.9529	-12.7606	-348.394	-465.1074	100	32	21	14125	1	9	9
B-D	-17.2999	-1.4149	-37.0908	-55.8056	43	9	0	2199	0	4	4
B-E	-11.984	0.0	-71.9068	-83.8908	41	2	6	3402	0	5	2
C-D	0.0	0.0	-0.0027	-0.0027	2	0	0	4	0	0	0
D-E	-94.3278	-11.4226	-333.012	-438.7625	99	18	20	13320	1	11	9
D-F	-85.1854	-13.7187	-340.636	-439.5401	100	24	21	13634	1	10	9
E-F	-95.629	-11.4751	-327.21	-434.3141	99	15	20	13143	1	10	9

Interface residues

• A-B: ALA106A, ALA108A, ALA109A, ALA113A, ALA113B, ALA114A, ALA114B, ALA125B, ALA127A, ALA135A, ALA17B, ALA24B, ALA79A, ALA84A, ARG107A, ARG29A, ARG29B, ARG6B, ARG7B, ASN75A, ASN87A, ASN93A, ASP28A, ASP28B, ASP72A, ASP85A, ASP94A, GLN101A, GLN111A, GLN111B, GLN129A, GLN23B, GLN36B, GLN98A, GLU122B, GLU124A, GLU124B, GLY118B, GLY119B, GLY130A, GLY19B, GLY35B, ILE123B, ILE126A, ILE126B, ILE18B, ILE31A, ILE31B, ILE33B, ILE86A, ILE8B, ILE9B, LEU115B, LEU132A, LEU26B, LEU37B, LEU4B, LEU82A, LEU82B, LEU83A, LYS117B, LYS78A, LYS97A, PHE100A, PHE104A, PHE73A, PHE89A, PRO105A, PRO116B, PRO131A, PRO20B, SER102A, SER103A, SER22B, SER34B, SER3B, THR133A, THR134A, THR30A, THR30B, THR74A, THR80A, THR80B, TYR110A, TYR110B, TYR21B, TYR32A, TYR32B, TYR96A, TYR99A, VAL112A, VAL112B, VAL128A, VAL25B, VAL27B, VAL5B, VAL76A, VAL77A, VAL81A, VAL92A, VAL95A
• A-C: ALA106C, ALA108C, ALA109C, ALA113A, ALA113C, ALA114A, ALA114C, ALA125A, ALA127C, ALA17A, ALA24A, ALA79C, ALA84C, ARG107C, ARG29A, ARG29C, ARG6A, ARG7A, ASN75C, ASN87C, ASN93C, ASP28A, ASP28C, ASP72C, ASP85C, ASP94C, GLN101C, GLN111A, GLN111C, GLN129C, GLN23A, GLN36A, GLN98C, GLU122A, GLU124A, GLY118A, GLY119A, GLY130C, GLY19A, GLY35A, ILE123A, ILE126A, ILE126C, ILE18A, ILE31A, ILE31C, ILE33A, ILE65A, ILE86C, ILE8A, ILE9A, LEU115A, LEU132C, LEU26A, LEU37A, LEU4A, LEU82A, LEU82C, LEU83C, LYS117A, LYS78A, LYS78C, LYS97C, PHE100C, PHE104C, PHE73C, PHE89C, PRO105C, PRO116A, PRO131C, PRO20A, SER102C, SER103C, SER22A, SER34A, SER3A, THR133C, THR134C, THR30A, THR30C, THR74C, THR80A, THR80C, TYR110A, TYR110C, TYR21A, TYR32A, TYR32C, TYR96C, TYR99C, VAL112A, VAL112C, VAL128C, VAL25A, VAL27A, VAL5A, VAL76C, VAL77C, VAL81C, VAL92C, VAL95C
• B-C: ALA106B, ALA108B, ALA109B, ALA113B, ALA113C, ALA114B, ALA114C, ALA125C, ALA127B, ALA135B, ALA17C, ALA24C, ALA79B, ALA84B, ARG107B, ARG29B, ARG6C, ARG7C, ASN75B, ASN87B, ASN93B, ASP28B, ASP28C, ASP72B, ASP85B, ASP94B, GLN101B, GLN111B, GLN111C, GLN129B, GLN23C, GLN36C, GLN98B, GLU122C, GLU124C, GLY118C, GLY119C, GLY130B, GLY19C, GLY35C, ILE123C, ILE126B, ILE126C, ILE18C, ILE31B, ILE31C, ILE33C, ILE86B, ILE8C, ILE9C, LEU115C, LEU132B, LEU26C, LEU37C, LEU4C, LEU82B, LEU82C, LEU83B, LYS117C, LYS78B, LYS97B, PHE100B, PHE104B, PHE73B, PHE89B, PRO105B, PRO116C, PRO131B, PRO20C, SER102B, SER103B, SER22C, SER2C, SER34C, SER3C, THR133B, THR134B, THR30B, THR30C, THR74B, THR80B, THR80C, TYR110B, TYR110C, TYR21C, TYR32B, TYR32C, TYR96B, TYR99B, VAL112B, VAL112C, VAL128B, VAL25C, VAL27C, VAL5C, VAL76B, VAL77B, VAL81B, VAL92B, VAL95B
• B-D: ALA42B, ALA55B, ARG107D, ASN61B, ASN93D, ASP40B, ASP94B, ASP94D, GLN101B, GLN101D, GLN57B, GLN98B, GLN98D, GLU53B, GLU64B, GLY63B, LEU59B, LYS56B, LYS56D, LYS67B, LYS97B, LYS97D, PHE100B, PHE100D, PHE104B, PHE104D, PHE73B, PRO105D, PRO41B, SER102B, SER102D, SER103D, SER43B, THR134D, THR60B, TYR96B, TYR96D, TYR99B, TYR99D, VAL47B, VAL52B, VAL95B, VAL95D
• B-E: ALA12E, ALA14E, ALA16E, ALA17E, ALA24E, ALA68E, ALA91B, ARG120B, ARG7E, ASN93B, ASP94B, GLN23E, GLN57B, GLN98B, GLU53B, GLU54B, GLY19E, GLY49B, GLY50B, ILE18E, ILE8E, ILE9E, LYS117E, LYS13E, LYS56B, LYS97B, PRO15E, PRO20E, PRO48B, SER10E, SER22E, SER90B, THR11E, TYR21E, TYR96B, TYR99B, VAL47B, VAL51B, VAL52B, VAL92B, VAL95B
• C-D: LYS97D, PRO20C
• D-E: ALA106D, ALA108D, ALA109D, ALA113D, ALA113E, ALA114D, ALA114E, ALA125E, ALA127D, ALA17E, ALA24E, ALA79D, ALA84D, ARG107D, ARG29D, ARG6E, ARG7E, ASN75D, ASN87D, ASN93D, ASP28D, ASP28E, ASP72D, ASP85D, ASP94D, GLN101D, GLN111D, GLN111E, GLN129D, GLN23E, GLN36E, GLN98D, GLU122E, GLU124E, GLY118E, GLY119E, GLY130D, GLY19E, GLY35E, ILE123E, ILE126D, ILE126E, ILE18E, ILE31D, ILE31E, ILE33E, ILE86D, ILE8E, ILE9E, LEU115E, LEU132D, LEU26E, LEU37E, LEU4E, LEU82D, LEU82E, LEU83D, LYS117E, LYS78D, LYS97D, PHE100D, PHE104D, PHE73D, PHE89D, PRO105D, PRO116E, PRO131D, PRO20E, SER102D, SER103D, SER22E, SER2E, SER34E, SER3E, THR133D, THR134D, THR30D, THR30E, THR74D, THR80D, THR80E, TYR110D, TYR110E, TYR21E, TYR32D, TYR32E, TYR96D, TYR99D, VAL112D, VAL112E, VAL128D, VAL25E, VAL27E, VAL5E, VAL76D, VAL77D, VAL81D, VAL92D, VAL95D
• D-F: ALA106F, ALA108F, ALA109F, ALA113D, ALA113F, ALA114D, ALA114F, ALA125D, ALA127F, ALA135F, ALA17D, ALA24D, ALA79F, ALA84F, ARG107F, ARG29D, ARG29F, ARG6D, ARG7D, ASN75F, ASN87F, ASN93F, ASP28D, ASP28F, ASP72F, ASP85F, ASP94F, GLN101F, GLN111D, GLN111F, GLN129F, GLN23D, GLN36D, GLN98F, GLU122D, GLU124D, GLY118D, GLY119D, GLY130F, GLY19D, GLY35D, ILE123D, ILE126D, ILE126F, ILE18D, ILE31D, ILE31F, ILE33D, ILE86F, ILE8D, ILE9D, LEU115D, LEU132F, LEU26D, LEU37D, LEU4D, LEU82D, LEU82F, LEU83F, LYS117D, LYS78F, LYS97F, PHE100F, PHE104F, PHE73F, PHE89F, PRO105F, PRO116D, PRO131F, PRO20D, SER102F, SER103F, SER22D, SER34D, SER3D, THR133F, THR134F, THR30D, THR30F, THR74F, THR80D, THR80F, TYR110D, TYR110F, TYR21D, TYR32D, TYR32F, TYR96F, TYR99F, VAL112D, VAL112F, VAL128F, VAL25D, VAL27D, VAL5D, VAL76F, VAL77F, VAL81F, VAL92F, VAL95F
• E-F: ALA106E, ALA108E, ALA109E, ALA113E, ALA113F, ALA114E, ALA114F, ALA125F, ALA127E, ALA17F, ALA24F, ALA79E, ALA84E, ARG107E, ARG29E, ARG6F, ARG7F, ASN75E, ASN87E, ASN93E, ASP28E, ASP28F, ASP72E, ASP85E, ASP94E, GLN101E, GLN111E, GLN111F, GLN129E, GLN23F, GLN36F, GLN98E, GLU122F, GLU124F, GLY118F, GLY119F, GLY130E, GLY19F, GLY35F, ILE123F, ILE126E, ILE126F, ILE18F, ILE31E, ILE31F, ILE33F, ILE86E, ILE8F, ILE9F, LEU115F, LEU132E, LEU26F, LEU37F, LEU4F, LEU82E, LEU82F, LEU83E, LYS117F, LYS78E, LYS78F, LYS97E, PHE100E, PHE104E, PHE73E, PHE89E, PRO105E, PRO116F, PRO131E, PRO20F, SER102E, SER103E, SER22F, SER34F, SER3F, THR133E, THR134E, THR30E, THR30F, THR74E, THR80E, THR80F, TYR110E, TYR110F, TYR21F, TYR32E, TYR32F, TYR96E, TYR99E, VAL112E, VAL112F, VAL128E, VAL25F, VAL27F, VAL5F, VAL76E, VAL77E, VAL81E, VAL92E, VAL95E