3A8E

the structure of axcesd octamer complexed with cellopentaose

• Total interactions analyzed: 6
• Total true interactions: 6
• Strongest Interaction:
  • Chains: B-C
  • Int. Res.: 36
  • Norm. En. per Res.: -4.2688
• 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	-23.5866	28.3127	-392.61	-387.8839	126	11	9	16964	0	26	19
A-C	-26.9475	-38.9065	-89.915	-155.7691	50	3	0	3578	3	9	8
A-D	0.0	0.0	-0.0514	-0.0514	2	0	0	30	0	4	2
B-C	-25.5464	-42.5501	-85.5806	-153.6771	36	3	2	3438	2	2	6
B-D	-47.7997	-40.4118	-82.0162	-170.2278	50	7	0	3566	2	8	8
C-D	-30.8977	31.0562	-395.219	-395.0606	124	12	11	16898	0	26	19

Interface residues

• A-B: ALA65A, ALA65B, ALA96A, ALA96B, ARG35A, ARG35B, ARG39A, ARG39B, ARG44A, ARG44B, ASN89A, ASN89B, ASP22A, ASP22B, ASP23A, ASP23B, ASP9A, ASP9B, GLN143A, GLN143B, GLN15A, GLN15B, GLN24A, GLN24B, GLN92A, GLN92B, GLU20A, GLU20B, GLU32A, GLU32B, GLU36A, GLU36B, GLU5A, GLU5B, GLU88A, GLU88B, GLY38A, GLY38B, GLY40A, GLY40B, GLY42A, GLY42B, GLY68A, GLY68B, GLY70A, GLY70B, GLY94A, GLY94B, HIS87A, ILE21A, ILE21B, ILE45A, ILE45B, ILE67A, ILE67B, LEU104A, LEU104B, LEU108B, LEU111A, LEU111B, LEU12A, LEU12B, LEU14A, LEU14B, LEU17A, LEU17B, LEU33A, LEU33B, LEU34A, LEU34B, LEU63A, LEU63B, LEU64A, LEU64B, LEU66A, LEU66B, LEU90A, LEU90B, LYS6A, LYS6B, LYS7A, LYS7B, MET41A, MET41B, MET46A, MET46B, PHE10A, PHE10B, PHE13A, PHE13B, PHE4B, PRO106A, PRO106B, PRO8A, PRO8B, PRO91A, PRO91B, SER18A, SER18B, SER95A, SER95B, THR11A, THR11B, THR16A, THR16B, THR43A, THR43B, THR71A, THR71B, TRP103A, TRP103B, TRP115A, TRP115B, TRP19A, TRP19B, TRP69A, TRP69B, VAL107A, VAL107B, VAL25A, VAL25B, VAL29B, VAL37A, VAL37B, VAL93A, VAL93B
• A-C: ALA62C, ALA65C, ALA96A, ARG142A, ARG30A, ASN61C, ASP22A, ASP23A, ASP54C, ASP9A, CYS50C, GLN119C, GLN143A, GLN15A, GLN51C, GLN57C, GLN92A, GLU59C, GLU5A, GLU5C, GLU98A, GLY101A, GLY94A, GLY97A, ILE45C, ILE58C, LEU12A, LEU56C, LEU60C, LEU63C, LEU66C, LYS55C, LYS6A, LYS6C, MET46C, PHE4A, PHE4C, PRO47C, PRO48C, PRO49C, PRO99A, SER100A, SER18A, SER95A, THR102A, THR11A, THR16A, THR52C, TRP19A, VAL93A
• A-D: LYS6A, LYS6D
• B-C: ALA62B, ALA62C, ALA65B, ARG114B, ARG44B, ARG44C, CYS50C, GLU59B, GLU59C, GLY40B, GLY40C, GLY42B, GLY42C, ILE45B, ILE45C, ILE58B, ILE58C, ILE67B, ILE67C, LEU63B, LEU63C, LEU66B, LEU66C, LYS7C, MET41B, MET41C, MET46B, MET46C, PRO47B, PRO47C, PRO48B, PRO48C, PRO49B, PRO49C, THR43B, THR43C
• B-D: ALA62B, ALA65B, ALA96D, ARG142D, ARG30D, ASN61B, ASP22D, ASP54B, ASP9D, CYS50B, GLN119B, GLN143D, GLN15D, GLN51B, GLN57B, GLN92D, GLU59B, GLU5B, GLU5D, GLU98D, GLY101D, GLY94D, GLY97D, ILE27D, ILE45B, ILE58B, LEU12D, LEU56B, LEU60B, LEU63B, LEU66B, LYS55B, LYS6B, LYS6D, MET46B, PHE4B, PHE4D, PRO47B, PRO48B, PRO49B, PRO99D, SER100D, SER18D, SER95D, THR102D, THR11D, THR16D, THR52B, TRP19D, VAL93D
• C-D: ALA65C, ALA65D, ALA96C, ALA96D, ARG35C, ARG35D, ARG39C, ARG39D, ARG44C, ARG44D, ASN89C, ASN89D, ASP22C, ASP22D, ASP23C, ASP23D, ASP9C, ASP9D, GLN15C, GLN15D, GLN24C, GLN24D, GLN92C, GLN92D, GLU20C, GLU20D, GLU32C, GLU32D, GLU36C, GLU36D, GLU5C, GLU5D, GLU88C, GLU88D, GLY38C, GLY38D, GLY40C, GLY40D, GLY42C, GLY42D, GLY68C, GLY68D, GLY70C, GLY70D, GLY94C, GLY94D, HIS87D, ILE21C, ILE21D, ILE45C, ILE45D, ILE67C, ILE67D, LEU104C, LEU104D, LEU108C, LEU111C, LEU111D, LEU12C, LEU12D, LEU14C, LEU14D, LEU17C, LEU17D, LEU33C, LEU33D, LEU34C, LEU34D, LEU63C, LEU63D, LEU64C, LEU64D, LEU66C, LEU66D, LEU90C, LEU90D, LYS6C, LYS6D, LYS7C, LYS7D, MET41C, MET41D, MET46D, PHE10C, PHE10D, PHE13C, PHE13D, PHE4C, PRO106C, PRO106D, PRO8C, PRO8D, PRO91C, PRO91D, SER18C, SER18D, SER95C, SER95D, THR11C, THR11D, THR16C, THR16D, THR43C, THR43D, THR71C, THR71D, TRP103C, TRP103D, TRP115C, TRP115D, TRP19C, TRP19D, TRP69C, TRP69D, VAL107C, VAL107D, VAL25C, VAL25D, VAL29C, VAL29D, VAL37C, VAL37D, VAL93C, VAL93D