2QQ2

crystal structure of c-terminal domain of human acyl-coa thioesterase 7

• Total interactions analyzed: 66
• Total true interactions: 26
• Strongest Interaction:
  • Chains: F-G
  • Int. Res.: 111
  • Norm. En. per Res.: -3.0732
• Hub Node: B(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	-99.9973	12.1367	-253.624	-341.4845	120	14	7	10893	0	32	26
A-C	0.0	0.0	-34.7245	-34.7245	26	4	0	1852	0	3	4
A-D	0.0	0.0	-10.8144	-10.8144	18	1	0	573	0	2	3
A-E	-6.3617	-27.8654	-102.667	-136.8941	74	7	12	5396	0	15	12
B-C	0.0	-43.3657	-138.719	-182.0847	87	9	15	7734	0	20	18
B-E	0.0	0.0	-8.8946	-8.8946	15	1	0	464	0	2	3
B-F	0.0	-38.646	-26.5058	-65.1518	26	6	0	1327	1	10	6
B-G	0.0	-7.8332	-4.3506	-12.1837	15	0	0	300	0	16	16
B-K	0.0	0.0	-25.024	-25.024	25	2	0	1546	0	1	3
C-D	0.0	0.0	-23.9063	-23.9063	25	2	0	1514	0	1	3
C-K	-91.9086	14.0164	-269.415	-347.3073	121	10	7	11600	0	31	28
D-E	-79.1774	13.2542	-234.168	-300.0912	111	10	7	10299	0	24	19
D-K	0.0	-48.6266	-148.736	-197.3626	87	11	13	8088	0	20	21
E-K	0.0	0.0	-30.8038	-30.8038	27	6	0	1873	0	3	4
F-G	-83.5587	8.6358	-266.197	-341.1198	111	12	6	11087	0	24	19
F-H	0.0	0.0	-31.3053	-31.3053	24	6	0	1764	0	2	4
F-I	0.0	-47.4539	-146.118	-193.5719	88	17	14	8172	0	17	21
F-J	0.0	0.0	-25.6142	-25.6142	24	2	0	1544	0	1	3
G-I	0.0	0.0	-20.852	-20.852	22	0	0	1507	0	2	3
G-J	0.0	-45.6677	-133.045	-178.7127	76	12	15	7205	0	12	19
G-L	0.0	0.0	-30.7458	-30.7458	24	5	0	1645	0	2	4
H-I	-91.6218	10.7608	-267.321	-348.182	115	10	7	11132	0	30	27
H-J	0.0	0.0	-7.7477	-7.7477	17	0	0	447	0	2	3
H-L	0.0	-25.6212	-88.8956	-114.5168	68	7	10	4823	0	17	12
I-L	0.0	0.0	-11.1321	-11.1321	17	1	0	559	0	2	3
J-L	-101.337	13.1197	-264.733	-352.9503	116	16	7	11331	0	28	23

Interface residues

• A-B: ALA248A, ALA248B, ALA253B, ALA263A, ALA263B, ALA267A, ALA267B, ALA315A, ALA316A, ALA318A, ALA318B, ARG275B, ARG330A, ARG330B, ARG354B, ARG362A, ARG362B, ASN259A, ASN259B, ASN269A, ASN269B, ASP228A, ASP228B, ASP245A, ASP245B, ASP266A, ASP266B, ASP272A, ASP272B, GLN327A, GLN327B, GLN357B, GLU246A, GLU246B, GLU328A, GLU328B, GLY233A, GLY233B, GLY237A, GLY237B, GLY238A, GLY238B, GLY249A, GLY249B, GLY329A, GLY329B, HIS232A, HIS232B, HIS236A, HIS236B, HIS271A, HIS271B, ILE250B, ILE260A, ILE260B, ILE268A, ILE268B, ILE274A, ILE274B, LEU231A, LEU231B, LEU243A, LEU243B, LEU325A, LEU325B, LYS242A, LYS242B, LYS273A, LYS273B, LYS361A, LYS361B, MET241A, MET241B, MET244A, MET244B, MET358A, MET358B, PHE234A, PHE234B, PHE270A, PHE270B, PHE319A, PHE319B, PHE320A, PHE320B, SER227A, SER227B, SER264A, SER264B, SER317A, SER317B, SER324B, SER326A, SER326B, SER331A, SER331B, THR230A, THR230B, THR240A, THR240B, THR258A, THR258B, THR262A, THR262B, THR321A, THR321B, TYR322A, TYR322B, VAL235A, VAL235B, VAL239A, VAL239B, VAL261A, VAL261B, VAL265A, VAL265B, VAL298A, VAL298B, VAL323A, VAL323B
• A-C: ARG275C, ASP228A, ASP228C, CYS229A, CYS229C, CYS278C, GLY225A, GLY225C, GLY233A, GLY233C, GLY277C, HIS232A, HIS236A, LEU223C, LEU231A, LYS276A, LYS276C, PHE234A, PRO226A, PRO226C, SER227A, SER227C, THR230A, VAL224C, VAL305C, VAL306C
• A-D: ARG275A, ASP228A, ASP228D, CYS229D, GLY225A, GLY225D, GLY277A, HIS236D, LEU223A, LEU231D, LYS276A, PRO226A, PRO226D, SER227A, SER227D, THR230D, VAL239D, VAL306A
• A-E: ALA252A, ALA253A, ALA253E, ARG254A, ARG254E, ARG312A, ARG312E, ASP245A, ASP245E, ASP303A, ASP303E, CYS278A, CYS278E, GLN310A, GLU246A, GLU246E, GLY225A, GLY225E, GLY249A, GLY249E, GLY277A, GLY277E, HIS222A, HIS222E, HIS255A, ILE221A, ILE221E, ILE250A, ILE250E, ILE260A, ILE260E, ILE280A, ILE280E, ILE282A, ILE282E, LEU220A, LEU220E, LEU223A, LEU223E, LEU243A, LEU243E, LYS242A, LYS242E, LYS257A, LYS257E, PRO226A, PRO226E, PRO304A, PRO304E, SER218A, SER218E, SER219A, SER219E, SER227A, SER227E, SER283A, SER283E, SER309A, THR258A, THR258E, THR281A, THR281E, TYR215E, VAL224A, VAL224E, VAL247A, VAL247E, VAL251A, VAL251E, VAL279A, VAL279E, VAL305A, VAL305E, VAL306A
• B-C: ALA252B, ALA252C, ALA253B, ALA253C, ARG254B, ARG254C, ARG312B, ARG312C, ASN259B, ASN259C, ASP303B, ASP303C, ASP307B, ASP307C, CYS256B, CYS256C, CYS278B, CYS278C, GLN217B, GLN217C, GLN310B, GLN310C, GLN327B, GLU246B, GLU246C, GLY249B, GLY249C, GLY277B, GLY277C, GLY284B, GLY284C, HIS222B, HIS222C, HIS255B, HIS255C, ILE221B, ILE221C, ILE250B, ILE250C, ILE260B, ILE260C, ILE280B, ILE280C, ILE282B, ILE282C, LEU220B, LEU220C, LEU223B, LEU223C, LEU243B, LEU243C, LYS257B, LYS257C, LYS311B, LYS311C, PRO208C, PRO304B, PRO304C, SER216B, SER216C, SER218B, SER218C, SER219B, SER219C, SER283B, SER283C, SER308B, SER308C, SER309B, THR258B, THR258C, THR281B, THR281C, TYR215B, TYR215C, VAL224B, VAL224C, VAL247B, VAL247C, VAL251B, VAL251C, VAL279B, VAL279C, VAL305B, VAL305C, VAL306B, VAL306C
• B-E: ASP228B, ASP228E, CYS229B, GLY225E, GLY277E, HIS236B, LEU223E, LEU231B, LYS276E, PRO226B, PRO226E, SER227B, SER227E, THR230B, VAL239B
• B-F: ARG330F, ARG347B, ASN291F, ASP343B, GLN327F, GLU209B, GLU328F, GLU340B, GLU342B, GLU344B, GLY329F, LEU325F, LEU332F, LYS292F, LYS345B, PRO208B, PRO210B, PRO333F, PRO339B, SER214B, SER326F, SER331F, THR212B, THR341B, VAL213B, VAL338B
• B-G: ARG275G, ARG312G, ASP272G, GLU340B, GLU342B, GLU349B, HIS271G, LYS273G, LYS311G, LYS345B, LYS346B, PHE234G, PRO339B, THR341B, TYR313G
• B-K: ARG275B, ASP228B, ASP228K, CYS229B, CYS229K, CYS278B, GLY225B, GLY225K, GLY233B, GLY233K, GLY277B, HIS232K, HIS236K, LEU223B, LEU231K, LYS276B, LYS276K, PRO226B, PRO226K, SER227B, SER227K, THR230K, VAL224B, VAL305B, VAL306B
• C-D: ARG275D, ASP228C, ASP228D, CYS229C, CYS229D, CYS278D, GLY225C, GLY225D, GLY233C, GLY233D, GLY277D, HIS232C, HIS236C, LEU223D, LEU231C, LYS276C, LYS276D, PRO226C, PRO226D, SER227C, SER227D, THR230C, VAL224D, VAL305D, VAL306D
• C-K: ALA248C, ALA248K, ALA253K, ALA263C, ALA263K, ALA267C, ALA267K, ALA316C, ALA316K, ALA318C, ALA318K, ARG275C, ARG275K, ARG330C, ARG330K, ARG354C, ARG354K, ARG362C, ARG362K, ASN259C, ASN259K, ASN269C, ASN269K, ASP228C, ASP228K, ASP245C, ASP245K, ASP266C, ASP266K, ASP272C, ASP272K, GLN327C, GLN327K, GLN357C, GLN357K, GLU246C, GLU246K, GLU328C, GLU328K, GLY233C, GLY233K, GLY237C, GLY237K, GLY238C, GLY238K, GLY249C, GLY249K, GLY329C, GLY329K, HIS232C, HIS232K, HIS236C, HIS236K, HIS271C, HIS271K, ILE250K, ILE260C, ILE260K, ILE268C, ILE268K, ILE274C, ILE274K, LEU231C, LEU231K, LEU243C, LEU243K, LEU325C, LEU325K, LYS242C, LYS242K, LYS273C, LYS273K, LYS361C, LYS361K, MET241C, MET241K, MET244C, MET244K, MET358C, MET358K, PHE234C, PHE234K, PHE270C, PHE270K, PHE319K, PHE320C, PHE320K, SER227C, SER227K, SER264C, SER264K, SER317C, SER317K, SER326C, SER326K, SER331C, SER331K, THR230C, THR230K, THR240C, THR240K, THR258C, THR258K, THR262C, THR262K, THR321C, THR321K, TYR322C, TYR322K, VAL235C, VAL235K, VAL239C, VAL239K, VAL261C, VAL261K, VAL265C, VAL265K, VAL298C, VAL298K, VAL323C, VAL323K
• D-E: ALA248D, ALA248E, ALA253D, ALA263D, ALA263E, ALA267D, ALA267E, ALA316E, ALA318D, ALA318E, ARG275D, ARG275E, ARG330D, ARG330E, ASN259D, ASN259E, ASN269D, ASN269E, ASP228D, ASP228E, ASP245D, ASP245E, ASP266D, ASP266E, ASP272D, ASP272E, GLN327D, GLN327E, GLU246D, GLU246E, GLU328D, GLU328E, GLY233D, GLY233E, GLY237D, GLY237E, GLY238D, GLY238E, GLY249D, GLY249E, GLY329D, GLY329E, HIS232D, HIS232E, HIS236D, HIS236E, HIS271D, HIS271E, ILE250D, ILE260D, ILE260E, ILE268D, ILE268E, ILE274D, ILE274E, LEU231D, LEU231E, LEU243D, LEU243E, LEU325D, LEU325E, LYS242D, LYS242E, LYS273D, LYS273E, MET241D, MET241E, MET244D, MET244E, MET358D, MET358E, PHE234D, PHE234E, PHE270D, PHE270E, PHE320D, PHE320E, SER227D, SER227E, SER264D, SER264E, SER317D, SER317E, SER326D, SER326E, SER331D, SER331E, THR230D, THR230E, THR240D, THR240E, THR258D, THR258E, THR262D, THR262E, THR321D, THR321E, TYR322D, TYR322E, VAL235D, VAL235E, VAL239D, VAL239E, VAL261D, VAL261E, VAL265D, VAL265E, VAL298D, VAL298E, VAL323D, VAL323E
• D-K: ALA252D, ALA252K, ALA253D, ALA253K, ARG254D, ARG254K, ARG312D, ARG312K, ASN211K, ASN259D, ASN259K, ASP301K, ASP303D, ASP303K, ASP307D, ASP307K, CYS256D, CYS256K, CYS278D, CYS278K, GLN217D, GLN217K, GLN310K, GLN327D, GLU246D, GLU246K, GLY249D, GLY249K, GLY277D, GLY277K, GLY284D, GLY284K, HIS222D, HIS222K, HIS255D, HIS255K, ILE221D, ILE221K, ILE250D, ILE250K, ILE260D, ILE260K, ILE280D, ILE280K, ILE282D, ILE282K, LEU220D, LEU220K, LEU223D, LEU223K, LEU243D, LEU243K, LYS257D, LYS257K, LYS311D, LYS311K, PRO208D, PRO304D, PRO304K, SER216D, SER216K, SER218D, SER218K, SER219D, SER219K, SER283D, SER283K, SER308D, SER308K, THR258D, THR258K, THR281D, THR281K, TYR215D, TYR215K, VAL224D, VAL224K, VAL247D, VAL247K, VAL251D, VAL251K, VAL279D, VAL279K, VAL305D, VAL305K, VAL306D, VAL306K
• E-K: ARG275K, ASP228E, ASP228K, ASP307K, CYS229E, CYS229K, CYS278K, GLY225E, GLY225K, GLY233E, GLY233K, GLY277K, HIS232E, HIS236E, LEU223K, LEU231E, LYS276E, LYS276K, PHE234E, PRO226E, PRO226K, SER227E, SER227K, THR230E, VAL224K, VAL305K, VAL306K
• F-G: ALA248F, ALA248G, ALA253F, ALA253G, ALA263F, ALA263G, ALA267F, ALA267G, ALA318F, ALA318G, ARG275G, ARG330F, ARG330G, ASN259F, ASN259G, ASN269F, ASN269G, ASP228F, ASP228G, ASP245F, ASP245G, ASP266F, ASP266G, ASP272F, ASP272G, GLN327F, GLN327G, GLU246F, GLU246G, GLU328F, GLU328G, GLY233F, GLY233G, GLY237F, GLY237G, GLY238F, GLY238G, GLY249F, GLY249G, GLY329F, GLY329G, HIS232F, HIS232G, HIS236F, HIS236G, HIS271F, HIS271G, ILE250F, ILE250G, ILE260F, ILE260G, ILE268F, ILE268G, ILE274F, ILE274G, LEU231F, LEU231G, LEU243F, LEU243G, LEU325F, LEU325G, LYS242F, LYS242G, LYS273F, LYS273G, MET241F, MET241G, MET244F, MET244G, MET358F, MET358G, PHE234F, PHE234G, PHE270F, PHE270G, PHE320F, PHE320G, SER227F, SER227G, SER264F, SER264G, SER317F, SER317G, SER326F, SER326G, SER331F, SER331G, THR230F, THR230G, THR240F, THR240G, THR258F, THR258G, THR262F, THR262G, THR321F, THR321G, TYR322F, TYR322G, VAL235F, VAL235G, VAL239F, VAL239G, VAL261F, VAL261G, VAL265F, VAL265G, VAL298F, VAL298G, VAL323F, VAL323G
• F-H: ARG275F, ASP228F, ASP228H, CYS229F, CYS229H, CYS278F, GLY225F, GLY225H, GLY233F, GLY233H, GLY277F, HIS232H, HIS236H, LEU223F, LEU231H, LYS276F, LYS276H, PRO226F, PRO226H, SER227F, SER227H, THR230H, VAL224F, VAL305F
• F-I: ALA252F, ALA252I, ALA253F, ALA253I, ARG254F, ARG254I, ARG312F, ARG312I, ASN211F, ASN259F, ASN259I, ASP301F, ASP303F, ASP303I, ASP307I, CYS256F, CYS256I, CYS278F, CYS278I, GLN217F, GLN217I, GLN310F, GLN310I, GLN327F, GLU209F, GLU246F, GLU246I, GLY249F, GLY249I, GLY277F, GLY277I, GLY284F, GLY284I, HIS222F, HIS222I, HIS255F, HIS255I, ILE221F, ILE221I, ILE250F, ILE250I, ILE260F, ILE260I, ILE280F, ILE280I, ILE282F, ILE282I, LEU220F, LEU220I, LEU223F, LEU223I, LEU243F, LEU243I, LYS257F, LYS257I, LYS311F, LYS311I, PRO208I, PRO304F, PRO304I, SER216F, SER216I, SER218F, SER218I, SER219F, SER219I, SER283F, SER283I, SER308I, SER309I, THR258F, THR258I, THR281F, THR281I, TYR215F, TYR215I, VAL224F, VAL224I, VAL247F, VAL247I, VAL251F, VAL251I, VAL279F, VAL279I, VAL305F, VAL305I, VAL306F, VAL306I
• F-J: ARG275J, ASP228F, ASP228J, CYS229F, CYS229J, CYS278J, GLY225F, GLY225J, GLY233F, GLY233J, GLY277J, HIS232F, HIS236F, LEU223J, LEU231F, LYS276F, LYS276J, PRO226F, PRO226J, SER227F, SER227J, THR230F, VAL224J, VAL305J
• G-I: ARG275I, ASP228G, ASP228I, CYS229G, CYS229I, CYS278I, GLY225I, GLY277I, HIS232G, HIS236G, LEU223I, LEU231G, LYS276G, LYS276I, PRO226G, PRO226I, SER227G, SER227I, THR230G, VAL224I, VAL305I, VAL306I
• G-J: ALA252G, ALA252J, ALA253G, ALA253J, ARG254G, ARG254J, ARG312G, ARG312J, ASN259G, ASN259J, ASP301G, ASP303G, ASP303J, CYS256G, CYS256J, CYS278G, CYS278J, GLN217G, GLN217J, GLU246G, GLU246J, GLY249G, GLY249J, GLY277G, GLY277J, GLY284G, GLY284J, HIS222G, HIS222J, HIS255G, HIS255J, ILE221G, ILE221J, ILE250G, ILE250J, ILE260G, ILE260J, ILE280G, ILE280J, ILE282G, ILE282J, LEU220G, LEU220J, LEU223G, LEU223J, LEU243G, LEU243J, LYS257G, LYS257J, LYS311G, PRO304G, PRO304J, SER216G, SER216J, SER218G, SER218J, SER219G, SER219J, SER283G, SER283J, THR258G, THR258J, THR281G, THR281J, TYR215G, TYR215J, VAL224G, VAL224J, VAL247G, VAL247J, VAL251G, VAL251J, VAL279G, VAL279J, VAL305G, VAL305J
• G-L: ARG275G, ASP228G, ASP228L, CYS229G, CYS229L, CYS278G, GLY225G, GLY233G, GLY233L, GLY277G, HIS232L, HIS236L, LEU223G, LEU231L, LYS276G, LYS276L, PHE234L, PRO226G, PRO226L, SER227G, SER227L, THR230L, VAL224G, VAL305G
• H-I: ALA248H, ALA248I, ALA253I, ALA263H, ALA263I, ALA267H, ALA267I, ALA316H, ALA318H, ALA318I, ARG275H, ARG330H, ARG330I, ARG362H, ASN259H, ASN259I, ASN269H, ASN269I, ASP228H, ASP228I, ASP245H, ASP245I, ASP266H, ASP266I, ASP272H, ASP272I, GLN327H, GLN327I, GLN357H, GLU246H, GLU246I, GLU328H, GLU328I, GLY233H, GLY233I, GLY237H, GLY237I, GLY238H, GLY238I, GLY249H, GLY249I, GLY329H, GLY329I, HIS232H, HIS232I, HIS236H, HIS236I, HIS271H, HIS271I, ILE250I, ILE260H, ILE260I, ILE268H, ILE268I, ILE274H, ILE274I, LEU231H, LEU231I, LEU243H, LEU243I, LEU325H, LEU325I, LYS242H, LYS242I, LYS273H, LYS273I, LYS361H, LYS361I, MET241H, MET241I, MET244H, MET244I, MET358H, MET358I, PHE234H, PHE234I, PHE270H, PHE270I, PHE319I, PHE320H, PHE320I, SER227H, SER227I, SER264H, SER264I, SER317H, SER317I, SER326H, SER326I, SER331H, SER331I, THR230H, THR230I, THR240H, THR240I, THR258H, THR258I, THR262H, THR262I, THR321H, THR321I, TYR322H, TYR322I, VAL235H, VAL235I, VAL239H, VAL239I, VAL261H, VAL261I, VAL265H, VAL265I, VAL298H, VAL298I, VAL323H, VAL323I
• H-J: ASP228H, ASP228J, CYS229J, GLY225H, GLY277H, HIS236J, LEU223H, LEU231J, LYS276H, PRO226H, PRO226J, SER227H, SER227J, THR230J, VAL239J, VAL305H, VAL306H
• H-L: ALA253H, ALA253L, ARG254H, ARG254L, ARG312H, ARG312L, ASP245H, ASP245L, ASP303H, ASP303L, ASP307H, CYS278H, CYS278L, GLN310L, GLU246H, GLU246L, GLY225H, GLY225L, GLY249H, GLY249L, GLY277H, GLY277L, HIS222H, HIS222L, ILE221H, ILE221L, ILE250H, ILE250L, ILE280H, ILE280L, ILE282H, ILE282L, LEU220H, LEU220L, LEU223H, LEU223L, LEU243H, LEU243L, LYS242H, LYS242L, LYS257H, LYS257L, PRO226H, PRO226L, PRO304H, PRO304L, SER218H, SER218L, SER219H, SER219L, SER227H, SER227L, SER283H, SER283L, SER309L, THR258L, THR281H, THR281L, TYR215H, TYR215L, VAL224H, VAL224L, VAL247H, VAL247L, VAL279H, VAL279L, VAL305H, VAL306H
• I-L: ARG275L, ASP228I, ASP228L, CYS229I, CYS229L, GLY225L, GLY277L, HIS236I, LEU223L, LEU231I, LYS276L, PRO226I, PRO226L, SER227I, SER227L, THR230I, VAL239I
• J-L: ALA248J, ALA248L, ALA263J, ALA263L, ALA267J, ALA267L, ALA315J, ALA316J, ALA316L, ALA318J, ALA318L, ARG314J, ARG330J, ARG330L, ARG354J, ARG362L, ASN259J, ASN259L, ASN269J, ASN269L, ASP228J, ASP228L, ASP245J, ASP245L, ASP266J, ASP266L, ASP272J, ASP272L, GLN327J, GLN327L, GLN357J, GLU246J, GLU246L, GLU328J, GLU328L, GLY233J, GLY233L, GLY237J, GLY237L, GLY238J, GLY238L, GLY249J, GLY249L, GLY329J, GLY329L, HIS232J, HIS232L, HIS236J, HIS236L, HIS271J, HIS271L, ILE260J, ILE260L, ILE268J, ILE268L, ILE274J, ILE274L, LEU231J, LEU231L, LEU243J, LEU243L, LEU325J, LEU325L, LYS242J, LYS242L, LYS273J, LYS273L, LYS361L, MET241J, MET241L, MET244J, MET244L, MET358J, MET358L, PHE234J, PHE234L, PHE270J, PHE270L, PHE319J, PHE319L, PHE320J, PHE320L, SER227J, SER227L, SER264J, SER264L, SER317J, SER317L, SER326J, SER326L, SER331J, SER331L, THR230J, THR230L, THR240J, THR240L, THR258J, THR258L, THR262J, THR262L, THR321J, THR321L, TYR322J, TYR322L, VAL235J, VAL235L, VAL239J, VAL239L, VAL261J, VAL261L, VAL265J, VAL265L, VAL298J, VAL298L, VAL323J, VAL323L