4CPA

refined crystal structure of the potato inhibitor complex of carboxypeptidase a at 2.5 angstroms resolution

• Total interactions analyzed: 6
• Total true interactions: 6
• Strongest Interaction:
  • Chains: I-B
  • Int. Res.: 23
  • Norm. En. per Res.: -2.8479
• 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-I	-16.2893	0.0	-164.92	-181.2093	68	5	3	6429	0	6	5
A-B	-37.9147	5.5284	-103.176	-135.5623	55	15	2	4995	0	16	18
A-J	0.0	-10.0496	-52.4986	-62.5482	23	5	0	1937	0	4	4
I-B	0.0	-10.0694	-55.4324	-65.5018	23	2	0	1950	0	4	4
I-J	0.0	-1.0142	-98.2149	-99.2291	40	8	1	3454	0	4	7
B-J	-19.4271	0.0	-165.216	-184.6431	69	4	3	6425	0	6	5

Interface residues

• A-I: ALA156A, ALA250A, ALA26I, ALA31I, ALA4I, ARG124A, ARG127A, ARG145A, ARG276A, ARG32I, ARG71A, ASN123A, ASN144A, ASN29I, ASN9I, ASP142A, ASP273A, CYS24I, CYS27I, CYS34I, CYS8I, GLN200A, GLN249A, GLN25I, GLU163A, GLU270A, GLU72A, GLY155A, GLY275A, GLY278A, GLY35I, HIS15I, HIS196A, HIS69A, ILE195A, ILE243A, ILE244A, ILE247A, ILE68A, LEU125A, LEU201A, LEU203A, LEU271A, LEU280A, LYS239A, PHE23I, PHE269A, PHE279A, PRO36I, SER157A, SER162A, SER197A, SER199A, SER30I, THR164A, THR245A, THR246A, THR268A, THR274A, THR33I, THR75A, TRP22I, TRP28I, TYR198A, TYR248A, TYR277A, TYR37I, VAL38I
• A-B: ALA10A, ALA10B, ALA117B, ALA283A, ALA283B, ARG124A, ARG124B, ARG276A, ARG276B, ASN123A, ASN123B, ASN8A, ASN8B, GLN285A, GLN285B, GLU122A, GLU122B, GLU17A, GLU17B, HIS120A, HIS120B, HIS13A, HIS13B, ILE286A, ILE286B, LEU125A, LEU125B, LEU280A, LEU280B, LEU281A, LEU281B, PHE118A, PHE118B, PHE279A, PHE279B, PRO282A, PRO282B, SER121A, SER121B, SER284A, SER284B, THR119A, THR119B, THR11A, THR11B, THR14A, THR14B, TRP126A, TRP126B, TRP73A, TRP73B, TYR12A, TYR12B, TYR277A, TYR277B
• A-J: ALA21J, ALA4J, ARG276A, ASP273A, ASP5J, GLN25J, GLX2J, GLY20J, GLY275A, GLY278A, HIS3J, ILE247A, LEU280A, LYS239A, PHE23J, PHE279A, PRO282A, PRO6J, SER199A, THR274A, TRP22J, TYR198A, TYR277A
• I-B: ALA21I, ALA4I, ARG276B, ASP273B, ASP5I, GLN25I, GLX2I, GLY20I, GLY275B, GLY278B, HIS3I, ILE247B, LEU280B, LYS239B, PHE23I, PHE279B, PRO282B, PRO6I, SER199B, THR274B, TRP22I, TYR198B, TYR277B
• I-J: ALA26I, ALA26J, ALA31I, ALA31J, ALA4I, ALA4J, ASN9I, ASN9J, ASP5I, ASP5J, CYS24I, CYS24J, CYS34I, CYS34J, CYS8I, CYS8J, GLX2I, GLX2J, GLY35I, GLY35J, HIS3I, HIS3J, ILE7I, ILE7J, LYS10I, LYS10J, PHE23I, PHE23J, PRO36I, PRO36J, PRO6I, PRO6J, SER30I, SER30J, THR33I, THR33J, TRP28I, TRP28J, VAL38I, VAL38J
• B-J: ALA156B, ALA250B, ALA26J, ALA31J, ALA4J, ARG124B, ARG127B, ARG145B, ARG276B, ARG32J, ARG71B, ASN123B, ASN144B, ASN29J, ASN9J, ASP142B, ASP273B, CYS12J, CYS24J, CYS27J, CYS34J, CYS8J, GLN200B, GLN249B, GLN25J, GLU163B, GLU270B, GLU72B, GLY155B, GLY275B, GLY278B, GLY35J, HIS15J, HIS196B, HIS69B, ILE195B, ILE243B, ILE244B, ILE247B, ILE68B, LEU125B, LEU201B, LEU203B, LEU271B, LEU280B, LYS239B, PHE23J, PHE269B, PHE279B, PRO36J, SER157B, SER162B, SER197B, SER199B, SER30J, THR164B, THR245B, THR246B, THR268B, THR274B, THR33J, THR75B, TRP22J, TRP28J, TYR198B, TYR248B, TYR277B, TYR37J, VAL38J