3ALT

crystal structure of cel-iv complexed with melibiose

• Total interactions analyzed: 6
• Total true interactions: 6
• Strongest Interaction:
  • Chains: C-D
  • Int. Res.: 74
  • Norm. En. per Res.: -2.6864
• 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	-5.7396	-6.1021	-179.697	-191.5387	76	5	2	7452	0	10	7
A-C	-81.1712	0.0	1055.94	974.7688	96	17	16	11373	0	10	7
A-D	0.0	0.0	-6.075	-6.075	16	0	0	480	0	0	1
B-C	0.0	0.0	-7.6054	-7.6054	16	0	0	560	0	0	1
B-D	-86.9048	12.6373	1094.0	1019.7326	97	24	15	11149	0	10	8
C-D	-15.8579	-6.9385	-175.998	-198.7944	74	8	2	7307	0	10	7

Interface residues

• A-B: ALA61A, ALA61B, ARG18A, ARG18B, ASN13A, ASN13B, ASN22A, ASN22B, ASP73A, ASP73B, CYS16A, CYS16B, CYS5A, CYS5B, GLU65A, GLU65B, GLY11A, GLY11B, GLY14A, GLY14B, HIS21A, HIS21B, HIS23A, HIS23B, LEU149A, LEU149B, LEU19A, LEU19B, LEU2A, LEU2B, LEU38A, LEU38B, LEU63A, LEU63B, LEU66A, LEU66B, LEU71A, LEU71B, LEU74A, LEU74B, LEU8A, LEU8B, LYS144A, LYS144B, LYS68A, LYS68B, PHE12A, PHE12B, PHE17A, PHE17B, PHE20A, PHE20B, PHE62A, PHE62B, PRO6A, PRO6B, PRO72A, PRO72B, PRO7A, PRO7B, SER4A, SER4B, SER70A, SER70B, THR10A, THR10B, THR3A, THR3B, THR64A, THR64B, THR69A, THR69B, TRP9A, TRP9B, VAL67A, VAL67B
• A-C: ALA32A, ALA32C, ALA39A, ALA39C, ALA47A, ALA47C, ARG18A, ARG18C, ARG34A, ARG34C, ASN13A, ASP100A, ASP100C, ASP44A, ASP44C, CYS151A, CYS151C, CYS16A, CYS16C, CYS41A, CYS41C, CYS5A, CYS5C, GLN148A, GLN148C, GLN35A, GLN35C, GLU157A, GLU157C, GLU45A, GLU45C, GLY101A, GLY101C, GLY14A, GLY14C, GLY37A, GLY37C, GLY43A, GLY43C, GLY49A, GLY49C, HIS153A, HIS153C, HIS50C, HIS55A, HIS55C, LEU149A, LEU149C, LEU156A, LEU156C, LEU2A, LEU2C, LEU38A, LEU38C, LEU46A, LEU46C, LEU8A, LEU8C, LYS15A, LYS15C, PHE20A, PHE20C, PHE36A, PHE36C, PRO150A, PRO150C, PRO6A, PRO6C, PRO7A, PRO7C, SER102A, SER102C, SER103A, SER103C, SER40A, SER40C, SER42A, SER42C, SER4A, SER4C, SER53A, SER53C, THR155A, THR155C, THR3A, THR3C, THR48A, THR48C, TRP98A, TRP98C, TRP9A, TRP9C, TYR154A, TYR154C, VAL152A, VAL152C
• A-D: GLY14A, GLY14D, HIS153A, HIS153D, LEU156A, LEU156D, LEU2A, LEU2D, SER4A, SER4D, THR3A, THR3D, TYR154A, TYR154D, VAL152A, VAL152D
• B-C: GLY14B, GLY14C, HIS153B, HIS153C, LEU156B, LEU156C, LEU2B, LEU2C, SER4B, SER4C, THR3B, THR3C, TYR154B, TYR154C, VAL152B, VAL152C
• B-D: ALA32B, ALA32D, ALA39B, ALA39D, ALA47B, ALA47D, ARG18B, ARG18D, ARG34B, ARG34D, ASN13B, ASP100B, ASP100D, ASP44B, ASP44D, CYS151B, CYS151D, CYS16B, CYS16D, CYS41B, CYS41D, CYS5B, CYS5D, GLN148B, GLN148D, GLN35B, GLN35D, GLU157B, GLU157D, GLU45B, GLU45D, GLY101B, GLY101D, GLY14B, GLY14D, GLY37B, GLY37D, GLY43B, GLY43D, GLY49B, GLY49D, HIS153B, HIS153D, HIS50B, HIS50D, HIS55B, HIS55D, LEU149B, LEU149D, LEU156B, LEU156D, LEU2B, LEU2D, LEU38B, LEU38D, LEU46B, LEU46D, LEU8B, LEU8D, LYS15B, LYS15D, PHE20B, PHE20D, PHE36B, PHE36D, PRO150B, PRO150D, PRO6B, PRO6D, PRO7B, PRO7D, SER102B, SER102D, SER103B, SER103D, SER40B, SER40D, SER42B, SER42D, SER4B, SER4D, SER53B, SER53D, THR155B, THR155D, THR3B, THR3D, THR48B, THR48D, TRP98B, TRP98D, TRP9B, TRP9D, TYR154B, TYR154D, VAL152B, VAL152D
• C-D: ALA61C, ALA61D, ARG18C, ARG18D, ASN13C, ASN13D, ASN22C, ASN22D, ASP73C, ASP73D, CYS16C, CYS16D, CYS5C, CYS5D, GLU65C, GLU65D, GLY11C, GLY11D, GLY14C, GLY14D, HIS21C, HIS21D, HIS23C, HIS23D, LEU149C, LEU149D, LEU19C, LEU19D, LEU2C, LEU2D, LEU63C, LEU63D, LEU66C, LEU66D, LEU71C, LEU71D, LEU74C, LEU74D, LEU8C, LEU8D, LYS144C, LYS144D, LYS68C, LYS68D, PHE12C, PHE12D, PHE17C, PHE17D, PHE20C, PHE20D, PHE62C, PHE62D, PRO6C, PRO6D, PRO72C, PRO72D, PRO7C, PRO7D, SER4C, SER4D, SER70C, SER70D, THR10C, THR10D, THR3C, THR3D, THR64C, THR64D, THR69C, THR69D, TRP9C, TRP9D, VAL67C, VAL67D