1YU6

crystal structure of the subtilisin carlsberg:omtky3 complex

• Total interactions analyzed: 6
• Total true interactions: 4
• Strongest Interaction:
  • Chains: B-D
  • Int. Res.: 92
  • Norm. En. per Res.: -3.481
• 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	-33.9324	0.0	-91.9417	-125.8741	57	6	1	3328	0	0	1
A-C	-62.6043	-9.6258	-245.719	-317.9491	95	13	7	9224	0	5	8
B-D	-72.1766	-9.6211	-238.457	-320.2547	92	17	7	8892	0	5	8
C-D	0.0	5.3868	-15.7828	-10.396	19	5	0	837	0	1	7

Interface residues

• A-B: ALA187A, ALA187B, ALA203A, ALA203B, ALA215A, ALA215B, ARG186B, ASN183A, ASN183B, ASN185A, ASN185B, ASP181A, ASP181B, GLY204A, GLY204B, GLY7A, GLY7B, HIS226A, HIS67A, HIS67B, ILE8A, ILE8B, LEU10A, LEU10B, LEU217A, LEU217B, LEU257A, LEU257B, PRO201A, PRO5A, PRO5B, PRO9A, PRO9B, SER182A, SER182B, SER184A, SER184B, SER188A, SER188B, SER207A, SER207B, THR216A, THR216B, THR3A, THR3B, TYR206A, TYR206B, TYR214A, TYR214B, TYR6A, TYR6B, VAL205A, VAL205B, VAL4A, VAL4B, VAL81A, VAL81B
• A-C: ALA129A, ALA151A, ALA152A, ALA153A, ALA15C, ALA169A, ALA179A, ALA187A, ALA203A, ALA223A, ALA40C, ARG21C, ASN155A, ASN158A, ASN218A, ASN33C, ASN36C, ASN39C, ASN62A, ASN97A, ASP32A, ASP7C, CYS16C, CYS35C, CYS38C, GLU10C, GLU19C, GLU43C, GLY100A, GLY102A, GLY106A, GLY127A, GLY128A, GLY131A, GLY154A, GLY157A, GLY166A, GLY202A, GLY204A, GLY219A, GLY32C, GLY63A, GLY65A, HIS64A, HIS67A, ILE107A, ILE165A, LEU126A, LEU18C, LEU217A, LEU31A, LEU96A, LYS13C, LYS29C, LYS34C, LYS55C, MET124A, MET135A, MET222A, PHE189A, PRO12C, PRO14C, PRO168A, PRO22C, SER101A, SER103A, SER105A, SER125A, SER130A, SER132A, SER156A, SER159A, SER188A, SER190A, SER191A, SER221A, SER224A, SER98A, SER99A, THR162A, THR17C, THR216A, THR220A, THR30C, THR33A, TYR104A, TYR11C, TYR167A, TYR209A, TYR20C, TYR31C, VAL177A, VAL51A, VAL68A, VAL95A
• B-D: ALA129B, ALA151B, ALA152B, ALA153B, ALA15D, ALA169B, ALA179B, ALA187B, ALA203B, ALA215B, ALA223B, ARG21D, ASN123B, ASN155B, ASN218B, ASN33D, ASN36D, ASN39D, ASN62B, ASN97B, ASP32B, ASP7D, CYS16D, CYS35D, CYS38D, GLU10D, GLU19D, GLY100B, GLY102B, GLY106B, GLY127B, GLY128B, GLY131B, GLY154B, GLY157B, GLY166B, GLY202B, GLY204B, GLY219B, GLY32D, GLY63B, GLY65B, HIS64B, HIS67B, ILE107B, ILE165B, LEU126B, LEU18D, LEU217B, LEU31B, LEU96B, LYS13D, LYS34D, LYS55D, MET124B, MET135B, MET222B, PHE189B, PRO12D, PRO14D, PRO168B, PRO22D, SER101B, SER103B, SER105B, SER125B, SER130B, SER132B, SER156B, SER188B, SER190B, SER191B, SER221B, SER224B, SER98B, SER99B, THR164B, THR17D, THR216B, THR220B, THR30D, THR33B, TYR104B, TYR11D, TYR167B, TYR209B, TYR20D, TYR31D, VAL177B, VAL51B, VAL68B, VAL95B
• C-D: ARG21C, ARG21D, CYS24C, CYS24D, CYS56C, CYS56D, GLY54C, GLY54D, HIS52C, HIS52D, LEU50C, LEU50D, LYS55C, LYS55D, PHE53C, PHE53D, PRO22C, SER51C, SER51D