2CDO

structure of agarase carbohydrate binding module in complex with neoagarohexaose

• Total interactions analyzed: 6
• Total true interactions: 6
• Strongest Interaction:
  • Chains: A-C
  • Int. Res.: 34
  • Norm. En. per Res.: -1.575
• 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	0.0	0.0	-48.0066	-48.0066	44	6	4	2420	0	0	0
A-C	-4.8934	0.0	-48.6553	-53.5487	34	5	2	1891	0	0	0
A-D	0.0	0.0	-0.127	-0.127	11	0	0	55	0	0	0
B-C	0.0	0.0	-0.0003	-0.0003	2	0	0	1	0	0	0
B-D	-5.401	4.0927	-33.0224	-34.3307	46	0	0	1718	0	1	2
C-D	0.0	0.0	-5.7987	-5.7987	12	0	0	377	0	0	0

Interface residues

• A-B: ALA112A, ALA52A, ALA54A, ALA6A, ALA91B, ASN104B, ASN11A, ASN13A, ASN94B, ASN99B, GLN101B, GLN116A, GLN55A, GLN95B, GLU8A, GLY105B, GLY106B, GLY113A, GLY123B, GLY71B, GLY72B, GLY96B, HIS115A, ILE51A, LEU103B, PHE12A, PRO102B, PRO93B, SER111A, SER124B, SER62B, SER67B, SER73B, THR114A, THR50A, THR60B, THR70B, THR90B, TYR49A, VAL53A, VAL69B, VAL7A, VAL89B, VAL92B
• A-C: ALA112A, ALA14C, ALA3A, ALA52C, ALA56A, ALA6C, ALA9C, ASN11C, ASN138A, ASN13C, ASN58A, ASP48C, GLN116C, GLN55A, GLU10C, GLU8C, GLY57A, HIS115C, ILE51C, LEU110A, LYS133C, PHE12C, SER107A, SER111A, SER1A, THR114C, THR2A, THR36C, THR50C, TYR109A, TYR49C, TYR59A, VAL108A, VAL7C
• A-D: ALA112A, ALA112D, ASN81A, ASN81D, GLY113A, GLY113D, GLY82A, GLY82D, SER111D, THR114A, THR114D
• B-C: ALA52C, THR70B
• B-D: ALA14D, ALA24B, ALA24D, ARG118D, ASN125B, ASN130B, ASN13D, ASN33B, ASN39B, ASN79D, ASN81D, ASN94B, ASN99B, ASP21B, ASP45D, ASP48D, ASP98B, GLN116D, GLN23B, GLN25D, GLN95B, GLY16D, GLY17D, GLY22B, GLY44D, GLY68B, GLY82D, GLY96B, PHE12D, PHE19D, PRO26D, SER20D, SER28B, SER83D, THR18D, THR31B, THR70B, TRP127B, TRP84D, TRP97B, TYR30B, TYR40B, TYR46D, VAL15D, VAL32B, VAL69B
• C-D: ALA112C, ALA52C, ALA54C, ALA85D, ASN81D, GLN55C, GLU80D, GLY113C, GLY82D, SER83D, THR114C, VAL53C