1PYT

ternary complex of procarboxypeptidase a, proproteinase e, and chymotrypsinogen c

• Total interactions analyzed: 6
• Total true interactions: 4
• Strongest Interaction:
  • Chains: A-D
  • Int. Res.: 38
  • Norm. En. per Res.: -4.104
• 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	-76.5239	-89.5378	-236.888	-402.9497	121	32	2	11852	5	46	35
A-C	-62.3817	-44.819	-271.573	-378.7737	115	23	14	10892	3	23	21
A-D	-15.8805	-30.2276	-109.843	-155.951	38	8	1	3806	1	13	3
B-D	-24.3985	0.0	-140.415	-164.8135	87	4	1	5927	0	6	6

Interface residues

• A-B: ALA10B, ALA117B, ALA1B, ALA283B, ALA95A, ARG124B, ARG127B, ARG145B, ARG14A, ARG276B, ARG2B, ARG39A, ARG55A, ARG71B, ARG76A, ARG99A, ASN123B, ASN8B, ASP16B, ASP20B, ASP273B, ASP36A, ASP53A, ASP6A, ASP81A, ASP87A, CB7.672911.83610, CB9.074382.59185, CYS161B, GLN122B, GLN200B, GLN249B, GLN285B, GLN47A, GLN83A, GLN90A, GLN92A, GLN97A, GLU163B, GLU17B, GLU270B, GLU30A, GLU33A, GLU5A, GLU80A, GLU88A, GLU89A, GLU91A, GLY275B, GLY278B, GLY40A, GLY42A, HIS10A, HIS120B, HIS13B, ILE18B, ILE243B, ILE244B, ILE247B, ILE286B, ILE52A, ILE77A, ILE79A, LEU125B, LEU13A, LEU201B, LEU24B, LEU280B, LEU281B, LEU35A, LEU85A, LEU86A, LYS239B, LYS27A, LYS4A, LYS4A5, MET78A, MET93A, PHE116B, PHE118B, PHE21B, PHE279B, PHE37A, PHE7A, PHE7B, PHE94A, PRO282B, PRO41A, PRO51A, SER121B, SER157B, SER159B, SER162B, SER197B, SER199B, SER242B, SER284B, SER3B, SER50A, SER84A, SER96A, SER98A, THR119B, THR11B, THR14B, THR164B, THR245B, THR246B, THR274B, THR6B, TRP126B, TRP38A, TRP73B, TYR12B, TYR198B, TYR248B, TYR277B, TYR9B, VAL12A, VAL54A, VAL82A
• A-C: ALA437C, ALA455C, ALA499C, ALA617C, ALA63A, ALA70A, ARG14A, ARG462C, ARG543C, ARG74A, ARG76A, ASN495C, ASN497C, ASP31A, ASP436C, ASP502C, ASP594C, ASP6A, ASP81A, ASP87A, CB7.90467-5.53293, CB9.971081.31327, CYS442C, CYS458C, CYS498C, CYS499C, CYS620C, GLN11A, GLN34A, GLN434C, GLN62A, GLN83A, GLU28A, GLU33A, GLU436C, GLU5A, GLU69A, GLU80A, GLY443C, GLY456C, GLY500C, GLY542C, GLY548C, GLY549C, GLY573C, GLY596C, GLY619C, GLY72A, GLY9A, HIS10A, HIS34A, HIS439C, HIS440C, HIS457C, HIS71A, ILE459C, ILE574C, ILE73A, ILE77A, LEU13A, LEU29A, LEU32A, LEU34A, LEU35A, LEU433C, LEU544C, LEU551C, LEU61A, LEU68A, LEU85A, LEU86A, LYS436C, LYS4A, LYS4A5, LYS577C, LYS624C, LYS65A, MET580C, PHE58A, PHE615C, PHE618C, PHE67A, PHE7A, PRO57A, PRO59A, SER460C, SER462C, SER496C, SER595C, SER60A, SER614C, SER617C, SER84A, THR25A, THR441C, THR461C, THR463C, THR547C, THR575C, THR613C, THR621C, TRP494C, TRP572C, TYR435C, TYR464C, TYR546C, TYR75A, VAL499C, VAL576C, VAL616C, VAL627C, VAL64A, VAL66A, VAL82A, VAL8A
• A-D: ALA95A, ARG736D, ARG739D, ARG843D, ARG99A, ASN761D, ASN848D, ASP736D, ASP87A, CYS742D, CYS758D, GLN90A, GLN92A, GLN97A, GLU88A, GLU89A, GLU91A, GLY849D, HIS740D, HIS757D, ILE759D, ILE851D, LEU736D, LEU762D, LEU85A, MET93A, PHE94A, SER760D, SER84A, SER96A, SER98A, THR737D, THR741D, THR762D, THR763D, THR847D, TYR735D, TYR764D
• B-D: ALA10B, ALA1B, ALA283B, ALA290B, ALA756D, ALA83B, ARG272B, ARG276B, ARG2B, ARG800D, ARG870D, ASN5B, ASN761D, ASN795D, ASN848D, ASN8B, ASP273B, ASP870D, ASP89B, CYS758D, GLN200B, GLN285B, GLN291B, GLN92B, GLU292B, GLU792D, GLU88B, GLY235B, GLY849D, GLY873D, GLY916D, GLY917D, HIS757D, HIS791D, ILE286B, ILE287B, ILE759D, LEU233B, LEU280B, LEU281B, LEU798D, LEU844D, LEU918D, LYS793D, LYS84B, LYS85B, LYS877D, LYS923D, LYS924D, PHE21B, PHE797D, PHE7B, PHE82B, PHE86B, PHE915D, PHE922D, PRO282B, PRO288B, SER232B, SER284B, SER3B, SER760D, SER796D, SER917D, SER919D, THR236B, THR289B, THR4B, THR6B, THR762D, THR847D, THR874D, THR875D, THR87B, THR921D, TRP294B, TRP794D, TRP81B, TRP871D, TRP872D, TYR234B, TYR277B, TYR846D, TYR9B, VAL790D, VAL799D, VAL80B