4A94

structure of the carboxypeptidase inhibitor from nerita versicolor in complex with human cpa4

• Total interactions analyzed: 6
• Total true interactions: 4
• Strongest Interaction:
  • Chains: B-C
  • Int. Res.: 101
  • Norm. En. per Res.: -3.3249
• 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	-17.3429	-76.8822	-95.1757	-189.4008	72	5	0	4763	3	30	27
A-D	-40.7015	-11.5485	-250.894	-303.144	98	8	3	9060	4	15	17
B-C	-44.523	-46.7278	-244.568	-335.8188	101	13	3	9432	4	15	20
B-D	0.0	13.8573	-3.9649	9.8924	14	0	0	334	0	2	6

Interface residues

• A-B: ALA213A, ALA216A, ALA227A, ALA231A, ARG224A, ARG272A, ARG33B, ARG34B, ARG44B, ARG58B, ASN43B, ASP181B, ASP220A, ASP273A, ASP30B, CYS244A, GLN184B, GLN200A, GLN239A, GLU217A, GLU237A, GLU42B, GLY187B, GLY235A, GLY241A, GLY275A, GLY38B, GLY56B, HIS186B, HIS39B, ILE37B, LEU201A, LEU230A, LYS177B, LYS185B, LYS211A, LYS212A, LYS221A, LYS228A, LYS36B, LYS50B, LYS55B, MET203A, MET46B, PHE106B, PHE182B, PHE189B, PHE41B, PRO242A, PRO29B, PRO45B, SER178B, SER232A, SER234A, THR236A, THR243A, THR245A, THR246A, THR274A, THR276A, TYR204A, TYR238A, TYR47B, VAL174B, VAL180B, VAL210A, VAL233A, VAL240A, VAL247A, VAL35B, VAL48B, VAL57B
• A-D: ALA156A, ALA250A, ALA29D, ALA30D, ALA53D, ARG124A, ARG127A, ARG130A, ARG132A, ARG145A, ARG14D, ARG48D, ARG71A, ARG7D, ASN11D, ASN123A, ASN133A, ASN144A, ASN159A, ASN32D, ASP142A, ASP158A, ASP33D, CYS138A, CYS15D, CYS161A, CYS23D, CYS244A, CYS27D, CYS38D, CYS51D, CYS9D, GLN122A, GLN200A, GLN39D, GLN47D, GLU163A, GLU270A, GLU37D, GLU72A, GLY135A, GLY13D, GLY140A, GLY155A, GLY275A, GLY278A, GLY35D, GLY50D, HIS196A, HIS40D, HIS69A, ILE10D, ILE139A, ILE68A, LEU125A, LEU17D, LEU195A, LEU201A, LEU271A, LEU280A, LYS128A, LYS28D, MET203A, PHE25D, PHE269A, PHE279A, PHE34D, PRO12D, PRO134A, PRO160A, PRO16D, PRO249A, PRO4D, SER136A, SER137A, SER157A, SER162A, SER197A, SER199A, THR24D, THR268A, THR274A, THR43D, TRP126A, TRP42D, TYR118A, TYR165A, TYR198A, TYR248A, TYR36D, TYR52D, VAL164A, VAL18D, VAL247A, VAL26D, VAL3D, VAL41D, VAL49D
• B-C: ALA156B, ALA250B, ALA29C, ALA30C, ALA53C, ARG124B, ARG127B, ARG130B, ARG132B, ARG145B, ARG14C, ARG48C, ARG71B, ARG7C, ASN11C, ASN123B, ASN133B, ASN144B, ASN159B, ASN32C, ASP142B, ASP158B, ASP31C, ASP33C, CYS138B, CYS15C, CYS161B, CYS23C, CYS244B, CYS27C, CYS38C, CYS51C, CYS9C, GLN122B, GLN200B, GLN39C, GLN47C, GLU163B, GLU270B, GLU37C, GLU72B, GLY135B, GLY13C, GLY140B, GLY155B, GLY275B, GLY278B, GLY35C, GLY50C, HIS166B, HIS196B, HIS40C, HIS69B, ILE10C, ILE139B, ILE68B, LEU125B, LEU17C, LEU195B, LEU201B, LEU271B, LEU280B, LYS128B, LYS154B, LYS28C, MET203B, PHE25C, PHE269B, PHE279B, PHE34C, PRO12C, PRO134B, PRO160B, PRO16C, PRO249B, PRO4C, SER136B, SER137B, SER157B, SER162B, SER197B, SER199B, THR121B, THR24C, THR268B, THR274B, TRP126B, TRP42C, TYR118B, TYR165B, TYR198B, TYR248B, TYR36C, TYR52C, VAL164B, VAL18C, VAL247B, VAL26C, VAL3C, VAL41C, VAL49C
• B-D: ALA25B, ALA26B, ARG14D, ARG34B, ASN23B, ASP20D, ASP22B, ASP27B, LEU17D, PHE44D, PRO16D, PRO19D, PRO29B, VAL18D