3RZU

the crystal structure of the catalytic domain of amsh

• Total interactions analyzed: 21
• Total true interactions: 11
• Strongest Interaction:
  • Chains: B-D
  • Int. Res.: 75
  • Norm. En. per Res.: -2.9237
• Hub Node: A(5)

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	-37.9779	2.0249	-177.548	-213.501	77	11	2	7748	4	23	18
A-C	-36.5813	8.0923	-176.833	-205.3221	76	14	2	7664	2	23	18
A-D	-7.8143	-10.5694	-48.7195	-67.1032	40	4	0	2111	1	11	7
A-E	-3.5728	-7.2412	-57.4826	-68.2966	50	6	0	2628	2	13	16
A-G	-6.9619	-12.1697	-53.4373	-72.5689	37	1	0	2281	1	11	7
B-C	-5.4308	-8.6607	-46.6761	-60.7676	37	1	0	2051	1	11	8
B-D	-40.3347	-5.8392	-173.104	-219.2779	75	12	2	7510	4	23	18
C-G	-39.9058	10.1815	-167.477	-197.2012	78	6	1	7447	3	23	18
E-F	-35.2507	-3.4228	-168.944	-207.6175	73	10	2	7540	0	24	18
E-G	0.0	3.5222	-32.7407	-29.2185	34	3	0	1691	0	6	8
F-G	0.0	11.6536	-4.6999	6.9537	12	0	0	380	0	5	11

Interface residues

• A-B: ALA271A, ALA271B, ALA273A, ALA273B, ALA276A, ALA306A, ALA417B, ARG262B, ARG277A, ARG416B, ARG424A, ARG424B, ASN274A, ASN312A, ASN315A, ASN315B, ASP309A, ASP324B, ASP415B, ASP422A, ASP422B, CYS311A, GLN266B, GLN269B, GLN304A, GLN323B, GLN325B, GLN326B, GLU280A, GLU314A, GLU316A, GLU317A, GLU317B, GLU318A, GLU318B, GLY278A, GLY307A, GLY327B, GLY394A, HIS298B, ILE296B, ILE301A, ILE301B, ILE322B, ILE420B, LEU270A, LEU270B, LEU300B, LEU319B, LEU321B, LEU328B, LEU423A, LEU423B, LYS288B, LYS303A, LYS303B, LYS393A, PHE267B, PHE320B, PHE395A, PRO260B, PRO265B, PRO302A, SER272A, SER305A, SER308A, THR275A, THR281A, THR297B, THR313A, THR419B, THR421B, TYR310A, VAL279A, VAL299B, VAL414B, VAL418B
• A-C: ALA271C, ALA273C, ALA276C, ALA306C, ALA417A, ARG262A, ARG277C, ARG416A, ARG424A, ARG424C, ASN274C, ASN312C, ASN315A, ASN315C, ASP309C, ASP324A, ASP415A, ASP422A, ASP422C, CYS311C, GLN266A, GLN269A, GLN304C, GLN323A, GLN325A, GLN326A, GLU280C, GLU314C, GLU316C, GLU317A, GLU317C, GLU318A, GLU318C, GLY278C, GLY287A, GLY307C, GLY327A, GLY394C, HIS298A, ILE296A, ILE301A, ILE301C, ILE322A, ILE420A, LEU270A, LEU270C, LEU300A, LEU319A, LEU321A, LEU328A, LEU423A, LEU423C, LYS288A, LYS303A, LYS303C, LYS393C, PHE267A, PHE320A, PHE395C, PRO260A, PRO302C, SER272C, SER305C, SER308C, THR275C, THR281C, THR295A, THR297A, THR313C, THR419A, THR421A, TYR310C, VAL279C, VAL299A, VAL414A, VAL418A
• A-D: ALA342A, ARG291D, ARG416D, ASN292D, ASP309A, ASP324D, GLN323D, GLN325D, GLN326D, GLN340A, GLN392A, GLU280A, GLU293D, GLU373A, GLY278A, GLY307A, GLY327D, GLY394A, HIS298D, HIS337A, HIS396A, LEU289D, LEU328D, LYS288D, LYS370A, LYS393A, LYS400A, MET290D, PHE343A, PHE371A, PHE395A, PRO338A, PRO397A, SER308A, THR295D, THR297D, THR339A, THR341A, TYR310A, VAL279A
• A-E: ARG255E, ARG262E, ARG291E, ARG391A, ARG416E, ASN292E, ASP252E, ASP324A, ASP415E, CYS264E, CYS353A, CYS390A, GLN356A, GLN372E, GLN392A, GLU293E, GLU373E, GLU385A, GLU386A, GLY261E, GLY327A, HIS256E, HIS410E, ILE329A, ILE387A, LEU328A, LEU359A, LEU384A, LYS393A, MET357A, MET358A, PHE294E, PHE320A, PHE371E, PHE376E, PRO260E, PRO360A, SER354A, SER388A, SER389A, SER409E, THR295E, THR374E, THR412E, VAL257E, VAL258E, VAL259E, VAL411E, VAL413E, VAL414E
• A-G: ALA342G, ARG291A, ARG416A, ASN292A, ASP309G, ASP324A, GLN323A, GLN325A, GLN326A, GLN340G, GLN392G, GLU293A, GLU373G, GLY278G, GLY307G, GLY327A, GLY394G, HIS337G, HIS396G, LEU289A, LEU328A, LYS288A, LYS370G, LYS393G, LYS400G, MET290A, PHE343G, PHE371G, PHE395G, PRO338G, PRO397G, SER308G, THR295A, THR297A, THR339G, THR341G, TYR310G
• B-C: ARG291B, ARG416B, ASN292B, ASP309C, ASP324B, GLN323B, GLN325B, GLN326B, GLN340C, GLU280C, GLU293B, GLY278C, GLY307C, GLY327B, GLY394C, HIS337C, HIS396C, ILE329B, LEU289B, LEU328B, LYS288B, LYS370C, LYS393C, LYS400C, MET290B, PHE343C, PHE371C, PHE395C, PRO338C, PRO397C, SER308C, THR295B, THR297B, THR339C, THR341C, TYR310C, VAL279C
• B-D: ALA271B, ALA273B, ALA273D, ALA276B, ALA306B, ALA417D, ARG262D, ARG277B, ARG416D, ARG424B, ARG424D, ASN274B, ASN312B, ASN315B, ASN315D, ASP309B, ASP324D, ASP415D, ASP422B, ASP422D, CYS311B, GLN266D, GLN269D, GLN304B, GLN323D, GLN325D, GLN326D, GLU280B, GLU314B, GLU316B, GLU317B, GLU317D, GLU318B, GLU318D, GLY278B, GLY307B, GLY327D, HIS298D, ILE296D, ILE301B, ILE301D, ILE322D, ILE420D, LEU270B, LEU270D, LEU300D, LEU319D, LEU321D, LEU328D, LEU423B, LEU423D, LYS288D, LYS303B, LYS303D, LYS393B, PHE267D, PHE320D, PHE395B, PRO260D, PRO265D, PRO302B, SER272B, SER272D, SER305B, SER308B, THR275B, THR281B, THR297D, THR313B, THR419D, THR421D, TYR310B, VAL279B, VAL299D, VAL418D
• C-G: ALA271C, ALA271G, ALA273C, ALA273G, ALA276G, ALA306G, ALA417C, ARG262C, ARG277G, ARG416C, ARG424C, ARG424G, ASN274G, ASN312G, ASN315C, ASN315G, ASP309G, ASP324C, ASP415C, ASP422C, ASP422G, CYS311G, GLN266C, GLN269C, GLN304G, GLN323C, GLN325C, GLN326C, GLU280G, GLU314G, GLU316G, GLU317C, GLU317G, GLU318C, GLU318G, GLY278G, GLY307G, GLY394G, HIS298C, ILE296C, ILE301C, ILE301G, ILE322C, ILE420C, LEU263C, LEU270C, LEU270G, LEU300C, LEU319C, LEU321C, LEU328C, LEU423C, LEU423G, LYS288C, LYS303C, LYS303G, LYS393G, PHE267C, PHE320C, PHE395G, PRO260C, PRO265C, PRO302G, SER272C, SER272G, SER305G, SER308G, THR275G, THR281G, THR297C, THR313G, THR419C, THR421C, TYR310G, VAL279G, VAL299C, VAL414C, VAL418C
• E-F: ALA271E, ALA273E, ALA276E, ALA306E, ALA417F, ARG262F, ARG277E, ARG416F, ARG424E, ARG424F, ASN274E, ASN312E, ASN315E, ASN315F, ASP309E, ASP324F, ASP415F, ASP422E, ASP422F, CYS311E, GLN266F, GLN269F, GLN304E, GLN323F, GLN325F, GLN326F, GLU280E, GLU314E, GLU316E, GLU317E, GLU317F, GLU318E, GLU318F, GLY278E, GLY287F, GLY307E, GLY327F, HIS298F, ILE296F, ILE301E, ILE301F, ILE322F, ILE420F, LEU270E, LEU270F, LEU300F, LEU319F, LEU321F, LEU328F, LEU423E, LEU423F, LYS288F, LYS303E, LYS303F, LYS393E, PHE267F, PHE320F, PRO260F, PRO302E, SER272E, SER305E, SER308E, THR275E, THR281E, THR297F, THR313E, THR419F, THR421F, TYR310E, VAL279E, VAL299F, VAL414F, VAL418F
• E-G: ALA273E, ALA276E, ARG277E, ARG391G, ASP401G, CYS390G, GLN269E, GLN340E, GLN372E, GLN392G, GLU373E, GLU385G, GLU386G, HIS350G, HIS382G, HIS396G, HIS398G, ILE387G, LEU404G, LYS370E, LYS393G, PHE371E, PHE395G, PRO369E, PRO397G, PRO402G, SER272E, SER346G, SER368E, SER389G, SER399G, THR275E, THR339E, THR341E
• F-G: ASN315F, ASP381G, ASP401G, GLN325F, GLU317F, GLU318F, GLU385G, HIS382G, LEU321F, LYS303F, PRO402G, SER399G