3ISM

crystal structure of the endog/endogi complex: mechanism of endog inhibition

• Total interactions analyzed: 3
• Total true interactions: 3
• Strongest Interaction:
  • Chains: A-B
  • Int. Res.: 134
  • Norm. En. per Res.: -4.1593
• 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	-100.4494	-25.0012	-431.901	-557.3516	134	14	9	15842	4	66	53
A-C	-68.0924	-115.1576	-239.447	-422.697	112	11	0	8954	11	71	46
B-C	-46.0902	-60.5904	-223.135	-329.8156	99	5	0	8041	7	56	39

Interface residues

• A-B: ALA235A, ALA235B, ALA239A, ALA239B, ALA289A, ALA289B, ARG100A, ARG100B, ARG102A, ARG102B, ARG140A, ARG140B, ARG148A, ARG148B, ARG287A, ARG287B, ARG299A, ARG299B, ARG99A, ARG99B, ASN101A, ASN101B, ASN236A, ASN236B, ASP222B, ASP223A, ASP223B, ASP295A, ASP295B, ASP85A, ASP85B, ASP98A, ASP98B, GLU221A, GLU221B, GLU231A, GLU231B, GLU283A, GLU283B, GLU286A, GLU286B, GLY150A, GLY150B, GLY224B, GLY234A, GLY234B, GLY290A, GLY290B, GLY83A, GLY83B, HIS105A, HIS105B, HIS136A, HIS136B, HIS219A, HIS219B, HIS86A, HIS86B, ILE135A, ILE233A, ILE233B, LEU215A, LEU215B, LEU217A, LEU217B, LEU291A, LEU291B, LEU292A, LEU292B, LEU84A, LEU84B, LYS220A, LYS220B, LYS225A, LYS225B, LYS229A, LYS229B, PHE138A, PHE138B, PHE139A, PHE139B, PHE293A, PHE293B, PHE81A, PHE81B, PRO137A, PRO137B, PRO214A, PRO214B, PRO218A, PRO218B, PRO241A, PRO282A, PRO282B, PRO82A, PRO82B, SER149A, SER149B, SER226A, SER226B, SER284A, SER284B, SER288A, SER288B, SER96A, SER96B, THR237A, THR237B, THR242A, TRP106A, TRP106B, TYR151A, TYR151B, TYR216A, TYR216B, TYR227A, TYR227B, TYR230A, TYR230B, TYR245A, TYR245B, TYR97A, TYR97B, VAL103A, VAL228A, VAL228B, VAL232A, VAL232B, VAL240A, VAL240B, VAL285A, VAL285B, VAL87A, VAL87B
• A-C: ALA158A, ALA159A, ALA190A, ALA196A, ALA235A, ALA99C, ARG124A, ARG140A, ARG142C, ARG147A, ARG148A, ARG153A, ARG163A, ARG174C, ARG188A, ARG199A, ARG200A, ARG287A, ARG96C, ASN108C, ASN143A, ASN187A, ASN192A, ASN236A, ASN271A, ASP103C, ASP123A, ASP128A, ASP132A, ASP143C, ASP145A, ASP145C, ASP148C, ASP150C, ASP151C, ASP152A, ASP189A, ASP272A, ASP47C, ASP51C, ASP52C, ASP53C, ASP98C, CYS100C, CYS127A, GLN131A, GLN142A, GLN181A, GLN184A, GLN37C, GLN45C, GLU133A, GLU195A, GLU41C, GLU48C, GLU93C, GLU94C, GLY154A, GLY160A, GLY183A, GLY185A, GLY234A, GLY97C, HIS136A, HIS155A, ILE135A, ILE235C, ILE40C, ILE49C, LEU146C, LEU171C, LEU175A, LYS118A, LYS126A, LYS130A, LYS56C, PHE101C, PHE129A, PHE138A, PHE139A, PHE147C, PHE173A, PHE186A, PHE59C, PRO104C, PRO106C, PRO137A, SER125A, SER141A, SER141C, SER144C, SER149A, SER149C, SER170C, THR105C, THR144A, THR152C, THR193A, THR55C, TRP140C, TRP191A, TYR102C, TYR146A, TYR151A, TYR174A, TYR36C, TYR95C, VAL173C, VAL44C, VAL46C, VAL50C, VAL54C
• B-C: ALA158B, ALA159B, ALA190B, ALA196B, ALA235B, ALA284C, ALA326C, ARG124B, ARG140B, ARG147B, ARG148B, ARG153B, ARG163B, ARG188B, ARG199B, ARG200B, ARG223C, ARG287B, ARG327C, ASN143B, ASN187B, ASN192B, ASN236B, ASN271B, ASN293C, ASN334C, ASP123B, ASP128B, ASP145B, ASP152B, ASP189B, ASP238C, ASP283C, ASP290C, ASP291C, ASP328C, ASP330C, ASP333C, ASP336C, CYS127B, CYS325C, GLN131B, GLN142B, GLN181B, GLN184B, GLN242C, GLU133B, GLU195B, GLU279C, GLU335C, GLY150B, GLY154B, GLY160B, GLY183B, GLY185B, GLY282C, GLY285C, GLY288C, HIS136B, HIS155B, HIS197B, HIS241C, ILE234C, ILE235C, ILE49C, LEU175B, LYS118B, LYS126B, LYS130B, LYS227C, LYS246C, MET226C, PHE129B, PHE138B, PHE173B, PHE186B, PHE286C, PRO137B, PRO237C, PRO289C, PRO337C, SER125B, SER149B, SER239C, SER294C, SER329C, THR144B, THR193B, TRP191B, TYR146B, TYR151B, TYR222C, TYR287C, TYR331C, TYR332C, VAL230C, VAL236C, VAL240C, VAL245C