3K77

x-ray crystal structure of xrcc1

• Total interactions analyzed: 28
• Total true interactions: 15
• Strongest Interaction:
  • Chains: D-H
  • Int. Res.: 42
  • Norm. En. per Res.: -3.0525
• Hub Node: C(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	0.0	-28.314	-51.2262	-79.5402	35	5	0	2247	2	11	15
A-D	0.0	0.0	-0.2605	-0.2605	3	0	0	61	0	4	4
A-E	0.0	19.0222	-17.1278	1.8944	32	3	0	1323	0	27	30
A-G	-8.2098	-3.7788	-14.1456	-26.1342	35	1	0	1259	0	10	10
B-C	0.0	3.2526	-44.9184	-41.6658	23	11	0	2013	0	18	14
B-G	0.0	-16.428	-67.5715	-83.9995	62	3	2	3950	0	21	16
B-H	0.0	-6.2269	-8.7277	-14.9546	21	0	0	775	0	16	16
C-D	-7.0954	-10.8773	-40.6881	-58.6607	42	4	0	2159	3	14	17
C-E	0.0	-8.9963	-48.3437	-57.34	49	3	0	2633	0	23	28
C-F	-7.3811	-28.5505	-57.0989	-93.0305	40	11	0	2615	2	10	15
C-G	0.0	0.0	-0.37	-0.37	6	0	0	64	0	6	7
C-H	0.0	23.336	-50.189	-26.853	89	22	4	6018	2	24	20
D-E	-39.7879	-2.757	-139.013	-181.5579	77	6	2	6205	0	22	26
D-H	-8.2509	-60.1634	-59.7895	-128.2037	42	3	0	2693	4	17	15
E-F	0.0	-11.6178	-73.4556	-85.0734	67	12	1	3742	0	27	32

Interface residues

• A-B: ALA27A, ALA66B, ARG100B, ARG107B, ARG109B, ARG148A, ARG31A, ASN104B, ASN23A, ASN62B, ASP114B, ASP28A, GLU3A, GLU98B, HIS19A, LYS115B, LYS26A, LYS32A, MET94B, PHE111B, PHE67B, PHE93B, PRO2A, PRO96B, SER91B, SER92B, SER95B, SER97B, THR18A, THR29A, THR90B, TYR136B, TYR30A, VAL108B, VAL89B
• A-D: ARG124A, GLN54A, LYS37D
• A-E: ALA76A, ALA76E, ARG124A, ARG124E, ARG7A, ARG7E, ASP126A, ASP126E, GLN48A, GLN48E, GLN54A, GLN54E, GLU122A, GLU122E, GLU50A, GLU50E, GLU52A, GLU52E, GLU53E, GLY77A, GLY77E, GLY78A, LYS123A, LYS123E, LYS51A, LYS51E, SER74A, SER74E, SER75A, SER75E, TRP125A, TRP125E
• A-G: ARG100G, ARG107G, ARG109G, ARG31A, ARG5A, ARG7A, ASN104G, ASP114G, ASP28A, CYS20A, GLU22A, GLU50A, GLU98G, HIS8A, LEU25A, LEU6A, LYS115G, LYS26A, PHE111G, PHE67G, PHE93G, PRO96G, SER101G, SER103G, SER17A, SER91G, SER92G, SER95G, SER97G, THR18A, THR29A, THR90G, TYR136G, VAL89G, VAL9A
• B-C: ALA119B, ALA119C, ALA120B, ALA120C, ALA121B, ALA121C, ARG118B, ARG118C, ARG124B, ARG124C, GLN54B, GLN54C, GLU122B, GLU122C, GLU85B, GLU85C, LEU116B, LYS123B, LYS123C, TRP125B, TRP125C, VAL117B, VAL117C
• B-G: ALA38B, ALA38G, ARG100B, ARG100G, GLN134B, GLN134G, GLN82B, GLN82G, GLU40B, GLU40G, GLU69B, GLU69G, GLU81B, GLU81G, GLU85B, GLU85G, GLY39B, GLY39G, LEU71B, LEU71G, LEU87G, LYS115G, LYS129B, LYS129G, LYS138B, LYS138G, LYS37B, LYS37G, LYS41B, LYS41G, PHE67B, PHE67G, PRO135B, PRO135G, PRO96B, PRO96G, SER133B, SER133G, SER137B, SER137G, SER91B, SER91G, SER92B, SER92G, SER99B, SER99G, THR42B, THR42G, THR90B, THR90G, TYR136B, TYR136G, TYR84B, TYR84G, VAL117B, VAL117G, VAL131B, VAL131G, VAL86B, VAL86G, VAL89B, VAL89G
• B-H: ALA38H, ARG100H, ARG124B, ASP139H, GLN54B, GLU122B, GLY39H, HIS56B, LYS123B, LYS138H, LYS37H, LYS51B, PRO135H, PRO141H, PRO152B, PRO153B, SER101H, SER137H, SER140H, SER151B, TYR136H
• C-D: ARG100C, ARG107C, ARG109C, ARG118C, ARG31D, ARG5D, ARG7D, ASN104C, ASN23D, ASP114C, ASP16D, CYS20D, GLU22D, GLU50D, GLU98C, GLY112C, HIS19D, HIS8D, LEU116C, LEU25D, LEU6D, LEU88C, LYS115C, LYS26D, LYS51D, MET110C, MET94C, PHE111C, PHE67C, PRO113C, PRO96C, SER103C, SER17D, SER91C, SER92C, SER95C, SER97C, THR18D, THR29D, TYR136C, VAL117C, VAL89C
• C-E: ALA27C, ALA27E, ARG107C, ARG109C, ARG148C, ARG31E, ARG5E, ARG7E, ASN104C, ASN106C, ASN23E, ASN62C, ASP114C, ASP16E, ASP28C, ASP28E, ASP59C, CYS20E, GLU22E, GLU3C, GLU50E, GLU98C, GLY112C, HIS150C, HIS19E, HIS56C, HIS8E, LEU25E, LEU6E, LYS26E, LYS32E, MET110C, PHE146C, PHE93C, PRO105C, PRO113C, PRO152C, PRO153C, PRO2C, SER103C, SER151C, SER17E, SER57C, THR18E, THR29E, TYR30C, TYR30E, VAL108C, VAL9E
• C-F: ALA27C, ALA66F, ARG100F, ARG107F, ARG109F, ARG148C, ARG31C, ARG5C, ASN104F, ASN23C, ASN62F, ASP114F, ASP28C, GLU3C, GLU98F, HIS19C, LYS115F, LYS26C, LYS32C, MET94F, PHE111F, PHE67F, PHE93F, PRO2C, PRO96F, SER103F, SER145C, SER65F, SER91F, SER92F, SER95F, SER97F, SER99F, THR18C, THR29C, THR90F, TYR136F, TYR30C, VAL108F, VAL89F
• C-G: ARG124C, ASP139G, LYS138G, LYS51C, PRO153C, SER101G
• C-H: ALA119C, ALA119H, ALA120C, ALA120H, ALA66C, ALA66H, ARG100C, ARG100H, ARG118C, ARG118H, ASP114C, ASP114H, ASP83C, ASP83H, GLN134C, GLN134H, GLN82C, GLN82H, GLU40C, GLU40H, GLU69C, GLU69H, GLU81C, GLU81H, GLU85C, GLU85H, GLY39C, GLY39H, ILE43C, ILE43H, LEU116C, LEU116H, LEU71C, LEU71H, LEU87C, LEU87H, LEU88C, LEU88H, LYS115C, LYS115H, LYS123C, LYS123H, LYS138C, LYS138H, LYS41C, LYS41H, PHE142C, PHE142H, PHE67C, PHE67H, PRO135C, PRO135H, PRO96C, PRO96H, SER133C, SER133H, SER137C, SER137H, SER13C, SER13H, SER14C, SER14H, SER44C, SER44H, SER91C, SER91H, SER92C, SER92H, SER97C, SER97H, THR42C, THR42H, THR90C, THR90H, TRP125C, TRP125H, TYR136C, TYR136H, TYR84C, TYR84H, VAL117C, VAL117H, VAL70C, VAL72C, VAL72H, VAL86C, VAL86H, VAL89C, VAL89H
• D-E: ALA21D, ALA21E, ALA35D, ALA35E, ALA36D, ALA36E, ALA38D, ALA38E, ALA76D, ALA76E, ALA79D, ALA79E, ARG127D, ARG127E, ARG34D, ARG34E, ARG7D, ARG7E, ASP126D, ASP126E, ASP16D, ASP16E, CYS12D, CYS12E, CYS20D, CYS20E, GLN15D, GLN15E, GLN48D, GLN48E, GLU22D, GLU22E, GLU40D, GLU40E, GLY39D, GLY39E, GLY77D, GLY77E, GLY78D, GLY78E, GLY80D, GLY80E, HIS19D, HIS19E, HIS8D, HIS8E, LEU25D, LEU25E, LYS37D, LYS37E, SER11D, SER11E, SER13D, SER13E, SER14D, SER14E, SER17D, SER17E, SER44D, SER44E, SER74D, SER74E, SER75D, SER75E, THR18D, THR18E, TRP33D, TRP33E, TYR84E, VAL10D, VAL10E, VAL45D, VAL45E, VAL46D, VAL46E, VAL9D, VAL9E
• D-H: ALA27D, ALA66H, ARG107H, ARG109H, ARG118H, ARG148D, ARG31D, ARG5D, ASN62H, ASP114H, ASP28D, GLU3D, GLU98H, GLY112H, HIS150D, HIS19D, ILE4D, LEU88H, LYS115H, LYS26D, LYS32D, LYS51D, MET94H, PHE111H, PHE67H, PHE93H, PRO113H, PRO2D, PRO96H, SER65H, SER91H, SER92H, SER95H, SER97H, SER99H, THR29D, THR90H, TYR136H, TYR30D, VAL108H, VAL117H, VAL89H
• E-F: ALA27E, ALA27F, ARG107E, ARG107F, ARG109E, ARG109F, ARG148E, ARG148F, ARG31E, ARG31F, ASN104E, ASN104F, ASN106E, ASN106F, ASN62E, ASP28E, ASP28F, ASP59E, ASP59F, GLU3E, GLU3F, GLU98E, GLY61E, GLY61F, HIS150E, HIS150F, HIS56E, HIS56F, ILE60E, ILE60F, LYS115E, LYS115F, LYS32E, LYS32F, MET110E, MET110F, PHE111E, PHE111F, PHE146E, PHE146F, PHE93E, PHE93F, PRO105E, PRO105F, PRO113E, PRO113F, PRO152E, PRO152F, PRO153E, PRO153F, PRO2E, PRO2F, SER145E, SER145F, SER151E, SER151F, SER57E, SER57F, SER91F, SER92E, SER92F, THR29E, THR29F, TYR30E, TYR30F, VAL108E, VAL108F