3TRJ

structure of a phosphoheptose isomerase from francisella tularensis

• Total interactions analyzed: 6
• Total true interactions: 6
• Strongest Interaction:
  • Chains: A-D
  • Int. Res.: 163
  • Norm. En. per Res.: -3.2038
• 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	-7.1018	0.0	-159.83	-166.9318	79	5	6	6773	0	4	1
A-C	0.0	0.0	-240.336	-240.336	102	9	7	10041	0	11	8
A-D	-40.3923	-24.447	-457.386	-522.2253	163	20	20	19720	3	26	27
B-C	-59.9869	-24.066	-438.124	-522.177	163	23	18	19566	4	26	25
B-D	-6.5692	0.8818	-243.337	-249.0244	108	10	7	10448	0	13	11
C-D	-16.2428	0.0	-162.156	-178.3988	78	7	5	6961	0	4	1

Interface residues

• A-B: ALA80B, ALA86A, ALA86B, ALA90A, ALA90B, ASN126A, ASN126B, ASN51A, ASN51B, ASN93A, ASN93B, ASP123A, ASP123B, ASP84A, ASP84B, CYS49A, CYS49B, GLN104A, GLN104B, GLN59A, GLN59B, GLU125A, GLU125B, GLY122A, GLY122B, GLY50A, GLY50B, GLY52A, GLY52B, GLY55A, GLY55B, GLY83A, GLY83B, GLY92A, GLY92B, GLY96A, GLY96B, HIS94A, HIS94B, ILE100A, ILE100B, ILE127A, ILE127B, ILE57A, ILE57B, ILE88A, ILE88B, LEU81A, LEU81B, PHE101A, PHE101B, PHE97A, PHE97B, SER121A, SER121B, SER124A, SER124B, SER53A, SER53B, SER54A, SER54B, SER98A, SER98B, THR119A, THR119B, THR120A, THR120B, THR82A, THR82B, THR87A, THR87B, THR89A, THR89B, VAL56A, VAL56B, VAL85A, VAL85B, VAL91A, VAL91B
• A-C: ALA102A, ALA102C, ALA106A, ALA106C, ALA107A, ALA107C, ALA58A, ALA58C, ALA78A, ALA78C, ALA80A, ALA80C, ALA86A, ALA86C, ALA90A, ALA90C, ASN110A, ASN110C, ASN67A, ASN67C, ASN93A, ASN93C, ASP84A, ASP84C, GLN104A, GLN104C, GLN59A, GLN59C, GLN99C, GLU133A, GLU133C, GLY109A, GLY109C, GLY43A, GLY43C, GLY44C, GLY83A, GLY83C, GLY92A, GLY92C, GLY96A, HIS60A, HIS60C, HIS94A, HIS94C, ILE100A, ILE100C, ILE79A, ILE79C, ILE88A, ILE88C, LEU108A, LEU108C, LEU137A, LEU137C, LEU40C, LEU47A, LEU47C, LEU65A, LEU65C, LEU66A, LEU66C, LEU76A, LEU76C, LEU81A, LEU81C, LYS103A, LYS103C, LYS45A, LYS45C, LYS64A, LYS64C, PHE101C, PHE61A, PHE61C, PRO75A, PRO75C, PRO77A, PRO77C, SER63A, SER63C, THR62A, THR62C, THR82A, THR82C, THR87A, THR87C, THR89A, THR89C, TYR95A, TYR95C, VAL105A, VAL105C, VAL46A, VAL46C, VAL48C, VAL56A, VAL56C, VAL85A, VAL85C, VAL91A, VAL91C
• A-D: ALA171A, ALA171D, ALA17A, ALA17D, ALA22A, ALA22D, ALA24A, ALA24D, ALA28A, ALA28D, ALA30A, ALA30D, ALA32A, ALA32D, ALA33A, ALA33D, ALA58A, ALA58D, ALA80D, ASN169A, ASN169D, ASN172A, ASN172D, ASN176A, ASN176D, ASN23A, ASN23D, ASN51A, ASN51D, ASN67A, ASN67D, ASN8A, ASN8D, ASP186A, ASP186D, ASP189A, ASP189D, ASP5A, ASP5D, ASP84A, ASP84D, CYS183A, CYS183D, CYS185A, CYS185D, GLN16A, GLN16D, GLN174A, GLN174D, GLN190A, GLN190D, GLN31A, GLN31D, GLN59A, GLN59D, GLU12A, GLU12D, GLU175A, GLU175D, GLU20A, GLU20D, GLY52A, GLY52D, GLY55A, GLY55D, GLY83A, GLY83D, HIS177A, HIS177D, HIS182A, HIS182D, HIS60A, HIS60D, ILE118D, ILE15A, ILE15D, ILE170A, ILE170D, ILE173A, ILE173D, ILE180A, ILE180D, ILE187A, ILE187D, ILE188A, ILE188D, ILE19A, ILE19D, ILE29A, ILE29D, ILE57A, ILE57D, ILE7A, ILE7D, LEU163A, LEU163D, LEU179A, LEU179D, LEU184A, LEU184D, LEU25A, LEU25D, LEU4A, LEU4D, LYS18A, LYS18D, LYS191A, LYS191D, LYS34A, LYS34D, LYS64A, LYS64D, LYS6A, LYS6D, PHE11A, PHE11D, PHE178A, PHE178D, PHE61A, PHE61D, PHE69D, PRO166A, PRO166D, PRO26A, PRO26D, PRO27A, PRO27D, SER13A, SER13D, SER14A, SER14D, SER3A, SER3D, SER53A, SER53D, SER54A, SER54D, SER63A, SER63D, SER9A, SER9D, THR120A, THR120D, THR21A, THR21D, THR2A, THR2D, THR62A, THR62D, THR82A, THR82D, TYR10A, TYR10D, VAL165A, VAL165D, VAL181A, VAL181D, VAL37A, VAL37D, VAL56A, VAL56D, VAL85A, VAL85D
• B-C: ALA171B, ALA171C, ALA17B, ALA17C, ALA22B, ALA22C, ALA24B, ALA24C, ALA28B, ALA28C, ALA30B, ALA30C, ALA32B, ALA32C, ALA33B, ALA33C, ALA58B, ALA58C, ALA80B, ALA86C, ASN169B, ASN169C, ASN172B, ASN172C, ASN176B, ASN176C, ASN23B, ASN23C, ASN51B, ASN51C, ASN67B, ASN67C, ASN8B, ASN8C, ASP186B, ASP186C, ASP189B, ASP189C, ASP5B, ASP5C, ASP84B, ASP84C, CYS183B, CYS183C, CYS185B, CYS185C, GLN16B, GLN16C, GLN174B, GLN174C, GLN190B, GLN190C, GLN31B, GLN31C, GLN59B, GLN59C, GLU12B, GLU12C, GLU175B, GLU175C, GLU20B, GLU20C, GLY52B, GLY52C, GLY55B, GLY55C, GLY83B, GLY83C, HIS177B, HIS177C, HIS182B, HIS182C, HIS60B, HIS60C, ILE118B, ILE15B, ILE15C, ILE170B, ILE170C, ILE173B, ILE173C, ILE180B, ILE180C, ILE187B, ILE187C, ILE188B, ILE188C, ILE19B, ILE19C, ILE29B, ILE29C, ILE57B, ILE57C, ILE7B, ILE7C, LEU163B, LEU163C, LEU179B, LEU179C, LEU184B, LEU184C, LEU25B, LEU25C, LEU4B, LEU4C, LYS18B, LYS18C, LYS191B, LYS191C, LYS34B, LYS34C, LYS64B, LYS64C, LYS6B, LYS6C, PHE11B, PHE11C, PHE178B, PHE178C, PHE61B, PHE61C, PRO166B, PRO166C, PRO26B, PRO26C, PRO27B, PRO27C, SER13B, SER13C, SER14B, SER14C, SER3B, SER3C, SER53B, SER53C, SER54B, SER54C, SER63B, SER63C, SER9B, SER9C, THR120B, THR120C, THR21B, THR21C, THR2B, THR2C, THR62B, THR62C, THR82B, THR82C, TYR10B, TYR10C, VAL165B, VAL165C, VAL181B, VAL181C, VAL37B, VAL37C, VAL56B, VAL56C, VAL85B, VAL85C
• B-D: ALA102B, ALA102D, ALA106B, ALA106D, ALA107B, ALA107D, ALA58B, ALA58D, ALA78B, ALA78D, ALA80B, ALA80D, ALA86B, ALA86D, ALA90B, ALA90D, ARG73D, ASN110B, ASN110D, ASN67B, ASN67D, ASN93B, ASN93D, ASP84B, ASP84D, GLN104B, GLN104D, GLN59B, GLN59D, GLN99B, GLU133B, GLU133D, GLU70D, GLU72D, GLY109B, GLY109D, GLY43B, GLY43D, GLY44D, GLY83B, GLY83D, GLY92B, GLY92D, GLY96B, HIS60B, HIS60D, HIS68D, HIS94B, HIS94D, ILE100B, ILE100D, ILE79B, ILE79D, ILE88B, ILE88D, LEU108B, LEU108D, LEU137B, LEU137D, LEU40D, LEU47B, LEU47D, LEU65B, LEU65D, LEU66B, LEU66D, LEU76B, LEU76D, LEU81B, LEU81D, LYS103B, LYS103D, LYS45B, LYS45D, LYS64B, LYS64D, PHE101B, PHE61B, PHE61D, PHE69D, PRO74D, PRO75B, PRO75D, PRO77B, PRO77D, SER63B, SER63D, THR62B, THR62D, THR82B, THR82D, THR87B, THR87D, THR89B, THR89D, TYR95B, TYR95D, VAL105B, VAL105D, VAL46B, VAL46D, VAL48D, VAL56B, VAL56D, VAL85B, VAL85D, VAL91B, VAL91D
• C-D: ALA80C, ALA80D, ALA86C, ALA86D, ALA90C, ALA90D, ASN126C, ASN126D, ASN51C, ASN51D, ASN93C, ASN93D, ASP123C, ASP123D, ASP84C, ASP84D, CYS49C, CYS49D, GLN104C, GLN59C, GLN59D, GLU125C, GLU125D, GLY122D, GLY50C, GLY50D, GLY52C, GLY52D, GLY55C, GLY55D, GLY83C, GLY83D, GLY92C, GLY92D, GLY96C, GLY96D, HIS94C, HIS94D, ILE100C, ILE100D, ILE127C, ILE127D, ILE57C, ILE57D, ILE88C, ILE88D, LEU81C, LEU81D, PHE101C, PHE101D, PHE97C, PHE97D, SER121C, SER121D, SER124C, SER124D, SER53C, SER53D, SER54C, SER54D, SER98C, SER98D, THR119C, THR119D, THR120C, THR120D, THR82C, THR82D, THR87C, THR87D, THR89C, THR89D, VAL56C, VAL56D, VAL85C, VAL85D, VAL91C, VAL91D