3BUA

crystal structure of trf2 trfh domain and apollo peptide complex

• Total interactions analyzed: 28
• Total true interactions: 15
• Strongest Interaction:
  • Chains: B-F
  • Int. Res.: 64
  • Norm. En. per Res.: -5.1299
• 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	-67.6006	-82.6332	-334.807	-485.0408	115	17	24	14906	7	45	40
A-D	-23.2029	8.8936	-79.2011	-93.5104	71	6	0	4395	2	63	66
A-E	-31.2535	-1.2671	-276.31	-308.8307	67	9	8	9964	2	8	9
A-F	0.0	0.0	-0.0829	-0.0829	3	0	0	26	0	2	2
A-H	0.0	-0.7973	-40.7435	-41.5408	15	1	0	1352	0	3	0
B-C	-2.6228	9.1196	-87.0473	-80.5505	58	6	0	4091	0	13	32
B-E	0.0	0.0	-3.6126	-3.6126	6	2	0	196	0	2	3
B-F	-53.3031	-11.2935	-263.719	-328.3156	64	15	8	9675	2	7	8
C-D	-22.3291	-69.045	-301.766	-393.1401	108	22	26	14252	4	47	39
C-G	-55.1581	-21.1731	-250.939	-327.2701	68	14	9	9760	2	5	7
C-H	0.0	0.0	-0.0008	-0.0008	2	0	0	2	0	0	0
D-E	0.0	-0.8907	-33.479	-34.3697	14	2	0	1184	0	4	0
D-G	-5.9787	-5.9796	1.5065	-10.4518	12	3	0	381	0	5	5
D-H	-24.9802	-10.406	-260.354	-295.7402	67	22	8	9659	2	5	6
E-H	0.0	0.0	-2.9893	-2.9893	12	0	0	251	0	0	0

Interface residues

• A-B: ALA240A, ALA240B, ALA243A, ALA243B, ALA46A, ALA46B, ALA51A, ALA51B, ALA64A, ALA64B, ALA67A, ALA67B, ALA85A, ALA85B, ARG47A, ARG47B, ARG54A, ARG54B, ARG66A, ARG66B, ARG69A, ARG69B, ARG72A, ARG72B, ARG77A, ARG77B, ARG80A, ARG80B, ARG89A, ARG89B, ASN53A, ASN53B, ASP75A, ASP75B, ASP81A, ASP81B, CB7.27038-69.83733, CB8.8387628.54852, GLN78A, GLN78B, GLN84A, GLN84B, GLU233A, GLU233B, GLU45A, GLU45A9, GLU45B, GLU49A, GLU49B, GLU50A, GLU50B, GLU63A, GLU63B, GLY44A, GLY44B, GLY74A, GLY74B, HIS62A, HIS62B, ILE79A, ILE79B, ILE82A, ILE82B, LEU236A, LEU236B, LEU237A, LEU237B, LEU244A, LEU244B, LEU48A, LEU48B, LEU57A, LEU57B, LEU86A, LEU86B, LEU87A, LEU87B, LEU91A, LEU91B, LYS241A, LYS241B, LYS242A, LYS242B, LYS245A, LYS245B, LYS93A, LYS93B, MET239A, MET239B, MET83A, MET83B, PHE59A, PHE59B, PHE76A, PHE76B, PRO234A, PRO234B, PRO90A, PRO90B, THR238A, THR238B, TRP55A, TRP55B, TYR235A, TYR235B, TYR60A, TYR60B, TYR73A, TYR73B, VAL52A, VAL52B, VAL56A, VAL56B, VAL88A, VAL88B
• A-D: ALA124A, ALA124D, ARG102A, ARG102D, ARG109A, ARG109D, ARG154A, ARG154D, ASN134A, ASN134D, ASP121A, ASP121D, ASP185A, ASP185D, GLN105A, GLN105D, GLU123A, GLU123D, GLU125A, GLU125D, GLU130D, GLU137A, GLU137D, GLU142A, GLU142D, GLU147A, GLU147D, GLU172D, HIS181A, HIS181D, ILE133A, ILE133D, ILE139A, LEU126A, LEU126D, LEU136A, LEU145A, LYS140A, LYS140D, LYS155A, LYS158A, LYS173A, LYS173D, LYS176A, LYS176D, LYS179A, LYS179D, LYS180A, LYS180D, LYS184A, LYS184D, MET122A, MET122D, MET138A, MET138D, MET182A, PHE120A, PHE120D, PHE143A, PRO186A, SER131A, SER131D, SER183A, SER183D, THR141A, THR141D, THR144A, THR144D, VAL135A, VAL135D, VAL150A
• A-E: ALA124A, ALA501E, ALA64A, ALA85A, ARG102A, ARG109A, ARG498E, ARG77A, ARG80A, ARG89A, ARG99A, ASN115A, ASN510E, ASP117A, ASP121A, ASP81A, CYS106A, CYS118A, GLN105A, GLN84A, GLU111A, GLU112A, GLU123A, GLU142A, GLU94A, GLY499E, GLY92A, HIS95A, ILE139A, ILE79A, ILE82A, LEU100A, LEU101A, LEU107A, LEU500E, LEU502E, LEU505E, LEU506E, LEU57A, LEU86A, LEU87A, LEU91A, LYS503E, LYS93A, MET104A, MET122A, MET138A, MET83A, PHE120A, PHE143A, PHE497E, PHE61A, PHE76A, PRO128A, PRO508E, PRO90A, SER108A, SER119A, SER131A, SER98A, THR507E, TYR504E, VAL103A, VAL135A, VAL509E, VAL88A, VAL97A
• A-F: ALA501F, ARG498F, GLN78A
• A-H: ALA124A, ALA501H, ASP121A, GLU123A, GLU125A, GLY499H, LEU500H, LEU502H, LEU505H, LEU506H, LYS503H, MET122A, SER119A, TYR504H, VAL509H
• B-C: ALA205B, ALA205C, ARG223B, ARG223C, ARG69B, ARG69C, ARG72B, ARG72C, ASN168B, ASN168C, ASN211B, ASN211C, ASP117C, GLN210B, GLN210C, GLN219B, GLN219C, GLU114B, GLU114C, GLU215B, GLU215C, GLY70B, GLY70C, HIS206B, HIS206C, ILE163B, ILE163C, ILE164B, ILE164C, ILE209B, ILE209C, LEU156B, LEU204B, LEU204C, LYS167B, LYS167C, LYS169B, LYS169C, LYS220B, LYS220C, PHE212B, PHE212C, PHE217B, PHE217C, PRO207B, PRO207C, SER213B, SER213C, SER71B, SER71C, THR216B, THR216C, TYR214B, TYR214C, TYR73B, TYR73C, VAL208B, VAL208C
• B-E: ALA501E, ARG498E, ARG77B, ASP75B, GLN78B, GLY74B
• B-F: ALA124B, ALA501F, ALA64B, ALA85B, ARG102B, ARG109B, ARG498F, ARG77B, ARG80B, ARG89B, ARG99B, ASN115B, ASP117B, ASP121B, ASP81B, CYS106B, CYS118B, GLN105B, GLN84B, GLU111B, GLU112B, GLU123B, GLU142B, GLU94B, GLY499F, GLY92B, HIS95B, ILE79B, ILE82B, LEU100B, LEU101B, LEU107B, LEU500F, LEU502F, LEU505F, LEU506F, LEU57B, LEU86B, LEU87B, LEU91B, LYS503F, LYS93B, MET104B, MET122B, MET138B, MET83B, PHE120B, PHE143B, PHE61B, PHE76B, PRO128B, PRO508F, PRO90B, SER108B, SER119B, SER131B, SER98B, THR507F, TYR504F, VAL103B, VAL135B, VAL509F, VAL88B, VAL97B
• C-D: ALA240C, ALA240D, ALA243C, ALA243D, ALA46C, ALA46D, ALA51C, ALA51D, ALA64C, ALA64D, ALA67C, ALA67D, ALA85C, ALA85D, ARG47C, ARG47D, ARG54C, ARG54D, ARG66C, ARG66D, ARG69D, ARG72C, ARG72D, ARG77C, ARG77D, ARG80C, ARG80D, ARG89C, ARG89D, ASN53C, ASN53D, ASP75C, ASP75D, ASP81C, ASP81D, GLN78C, GLN78D, GLN84C, GLN84D, GLU233D, GLU45C, GLU45D, GLU49C, GLU49D, GLU50C, GLU50D, GLU63C, GLU63D, GLY44C, GLY44D, GLY74C, GLY74D, HIS62C, HIS62D, ILE79C, ILE79D, ILE82C, ILE82D, LEU236C, LEU236D, LEU237C, LEU237D, LEU244C, LEU244D, LEU48C, LEU48D, LEU57C, LEU57D, LEU86C, LEU86D, LEU87C, LEU87D, LEU91C, LEU91D, LYS241C, LYS241D, LYS242C, LYS242D, LYS245C, LYS245D, MET239C, MET239D, MET83C, MET83D, PHE59C, PHE59D, PHE76C, PHE76D, PRO234C, PRO234D, PRO90C, PRO90D, THR238C, THR238D, TRP55C, TRP55D, TYR235C, TYR235D, TYR60C, TYR60D, TYR73C, TYR73D, VAL52C, VAL52D, VAL56C, VAL56D, VAL88C, VAL88D
• C-G: ALA124C, ALA501G, ALA64C, ALA85C, ARG102C, ARG109C, ARG498G, ARG77C, ARG80C, ARG89C, ARG99C, ASN115C, ASN510G, ASP117C, ASP121C, ASP81C, CYS106C, CYS118C, GLN105C, GLN84C, GLU111C, GLU112C, GLU123C, GLU142C, GLU496G, GLU94C, GLY499G, GLY92C, HIS95C, ILE79C, ILE82C, LEU100C, LEU101C, LEU107C, LEU500G, LEU502G, LEU505G, LEU506G, LEU57C, LEU86C, LEU87C, LEU91C, LYS503G, LYS93C, MET104C, MET122C, MET138C, MET83C, PHE120C, PHE143C, PHE497G, PHE61C, PHE76C, PRO128C, PRO508G, PRO90C, SER108C, SER119C, SER131C, SER98C, THR507G, THR96C, TYR504G, VAL103C, VAL135C, VAL509G, VAL88C, VAL97C
• C-H: ALA501H, GLN78C
• D-E: ALA124D, ALA501E, ASP121D, GLU123D, GLU125D, GLY499E, LEU500E, LEU502E, LEU505E, LEU506E, LYS503E, MET122D, TYR504E, VAL509E
• D-G: ALA501G, ARG498G, ARG77D, ASP75D, ASP81D, GLN78D, GLU496G, GLY499G, GLY74D, LEU500G, PHE497G, SER495G
• D-H: ALA124D, ALA501H, ALA64D, ALA85D, ARG102D, ARG109D, ARG77D, ARG80D, ARG89D, ARG99D, ASN115D, ASN510H, ASP117D, ASP121D, ASP81D, CYS106D, CYS118D, GLN105D, GLN84D, GLU111D, GLU112D, GLU123D, GLU125D, GLU142D, GLU94D, GLY499H, GLY92D, HIS95D, ILE79D, ILE82D, LEU100D, LEU101D, LEU107D, LEU116D, LEU126D, LEU500H, LEU502H, LEU505H, LEU506H, LEU57D, LEU86D, LEU87D, LEU91D, LYS503H, LYS93D, MET104D, MET122D, MET138D, MET83D, PHE120D, PHE143D, PHE61D, PHE76D, PRO128D, PRO508H, PRO90D, SER108D, SER119D, SER131D, SER98D, THR507H, TYR504H, VAL103D, VAL135D, VAL509H, VAL88D, VAL97D
• E-H: ASN510H, GLY499E, GLY499H, LEU502E, LEU502H, LEU505E, LEU505H, LYS503E, LYS503H, PHE497E, VAL509E, VAL509H