1NR9

crystal structure of escherichia coli 1262 (apc5008), putative isomerase

• Total interactions analyzed: 6
• Total true interactions: 4
• Strongest Interaction:
  • Chains: C-D
  • Int. Res.: 123
  • Norm. En. per Res.: -3.8185
• Hub Node: A(2)

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	-72.9621	-20.622	-378.372	-471.9561	128	34	8	15001	3	48	45
A-D	0.0	-9.1242	-3.8624	-12.9866	9	0	0	204	1	7	5
B-D	0.0	0.0	-3.9926	-3.9926	10	0	0	309	0	0	5
C-D	-64.7571	-39.7456	-365.172	-469.6746	123	31	9	14569	3	48	47

Interface residues

• A-B: ALA114A, ALA114B, ALA121A, ALA121B, ALA123A, ALA123B, ALA50A, ALA50B, ALA59A, ARG82A, ARG82B, ASN126A, ASN126B, ASP125A, ASP125B, ASP186A, ASP186B, ASP63A, ASP63B, CB8.149134.70999, CYS21A, CYS21B, GLN108A, GLN108B, GLN116A, GLN116B, GLN83A, GLN83B, GLU119A, GLU119B, GLU39A, GLU39B, GLU40A, GLU40B, GLU48A, GLU48B, GLY109B, GLY115A, GLY115B, GLY23A, GLY23B, HIS0A, HIS0A5, ILE45A, ILE45B, ILE60B, LEU104A, LEU104B, LEU182A, LEU182B, LEU43A, LEU43B, LEU51A, LEU51B, LEU81A, LEU81B, LYS110A, LYS110B, LYS112A, LYS112B, LYS113A, LYS113B, LYS120A, LYS120B, LYS122A, LYS122B, LYS178A, LYS178B, LYS183A, LYS183B, LYS18A, LYS18B, LYS46A, LYS46B, PHE124A, PHE124B, PHE179A, PHE179B, PHE180A, PHE180B, PHE44A, PHE44B, PHE64A, PHE64B, PRO117A, PRO117B, PRO15A, PRO15B, PRO41A, PRO41B, PRO47A, PRO47B, PRO61A, PRO61B, SER127A, SER127B, SER177A, SER177B, SER17A, SER17B, SER24A, SER24B, SER62A, SER62B, THR181A, THR181B, THR49A, THR49B, THR80A, THR80B, TRP118A, TRP118B, TYR175A, TYR175B, TYR2A, TYR2B, VAL107A, VAL107B, VAL16A, VAL16B, VAL19A, VAL19B, VAL20A, VAL20B, VAL22A, VAL22B, VAL42A, VAL42B
• A-D: ARG157D, ASP106A, GLN156D, GLU155D, GLY195D, GLY197D, LYS110A, LYS113A, PRO198D
• B-D: ASN153D, ASP203D, GLN200D, GLU39B, GLU40B, GLY202D, PRO38B, SER201D, VAL218D, VAL37B
• C-D: ALA114C, ALA114D, ALA121C, ALA121D, ALA123C, ALA123D, ALA50C, ALA50D, ALA59C, ALA59D, ARG82C, ARG82D, ASN126C, ASN126D, ASP125C, ASP125D, ASP186C, ASP186D, ASP63C, ASP63D, CYS21C, CYS21D, GLN108C, GLN108D, GLN116C, GLN116D, GLN83C, GLN83D, GLU119C, GLU119D, GLU39C, GLU39D, GLU40C, GLU40D, GLU48C, GLU48D, GLY109C, GLY115C, GLY115D, GLY23C, GLY23D, ILE45C, ILE45D, ILE60C, ILE60D, LEU104C, LEU104D, LEU182C, LEU182D, LEU43C, LEU43D, LEU81C, LEU81D, LYS110C, LYS112C, LYS112D, LYS113C, LYS113D, LYS120C, LYS120D, LYS122C, LYS122D, LYS178C, LYS178D, LYS183C, LYS183D, LYS18C, LYS18D, LYS46C, LYS46D, PHE124C, PHE124D, PHE179C, PHE179D, PHE180C, PHE180D, PHE44C, PHE44D, PHE64C, PHE64D, PRO117C, PRO117D, PRO15C, PRO15D, PRO41C, PRO41D, PRO47C, PRO47D, PRO61C, PRO61D, SER127C, SER127D, SER177C, SER177D, SER17C, SER17D, SER24C, SER24D, SER62C, SER62D, THR181C, THR181D, THR49C, THR49D, THR80C, TRP118C, TRP118D, TYR175C, TYR175D, TYR2C, TYR2D, VAL107C, VAL107D, VAL16C, VAL16D, VAL19C, VAL19D, VAL20C, VAL20D, VAL22C, VAL22D, VAL42C, VAL42D