2OWR

crystal structure of vaccinia virus uracil-dna glycosylase

• Total interactions analyzed: 28
• Total true interactions: 16
• Strongest Interaction:
  • Chains: B-D
  • Int. Res.: 47
  • Norm. En. per Res.: -2.1875
• 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	-7.0211	-4.3503	-128.231	-139.6024	73	7	4	6583	0	13	16
A-C	-10.6894	-4.2503	-82.3945	-97.3343	57	4	2	4194	3	26	27
A-G	0.0	-11.7548	-17.7603	-29.5151	30	0	0	1127	0	9	6
B-D	-5.4401	-8.7775	-88.5966	-102.8142	47	0	3	3648	3	15	15
B-F	0.0	0.0	-2.8689	-2.8689	11	0	0	138	0	3	0
C-D	0.0	9.5523	-81.5145	-71.9622	60	6	5	4315	1	14	15
C-E	0.0	0.0	-0.4603	-0.4603	10	0	0	96	0	4	1
C-F	-5.6658	-0.9907	-31.847	-38.5034	40	0	0	1796	0	16	22
C-G	0.0	0.0	-1.5029	-1.5029	9	0	0	180	0	2	3
C-H	0.0	2.3642	-21.7081	-19.3439	28	0	0	1399	0	20	18
D-E	0.0	19.7436	-30.4683	-10.7247	34	2	0	1407	0	21	21
D-F	0.0	0.0	-5.2585	-5.2585	18	0	0	630	0	5	11
D-G	0.0	-2.8592	-24.2828	-27.142	28	1	0	1499	0	9	16
D-H	0.0	0.8271	-15.9454	-15.1183	20	1	1	900	0	11	6
E-F	-12.8747	-25.8862	-98.6691	-137.43	66	1	5	4753	1	12	17
G-H	0.0	0.0	-38.5696	-38.5696	50	1	5	2722	0	9	10

Interface residues

• A-B: ALA168A, ALA208B, ARG167A, ARG167B, ARG193A, ARG193B, ASN165A, ASN165B, ASN199A, ASN199B, ASN206A, ASN206B, ASP205A, ASP205B, CYS157A, GLN146B, GLU171A, GLU171B, GLU196B, GLU203A, GLU203B, GLY159A, GLY179A, GLY179B, ILE166A, ILE166B, ILE177A, ILE177B, ILE197A, ILE197B, ILE198A, ILE198B, LEU155A, LEU170A, LEU170B, LEU201A, LEU201B, LEU202A, LEU202B, LEU204A, LEU204B, LYS160A, LYS169A, LYS207B, PHE163A, PHE163B, PHE195A, PHE195B, PRO173A, PRO173B, SER153A, SER153B, SER164A, SER164B, SER172A, SER172B, SER194A, SER194B, THR161A, THR175A, THR175B, THR176A, THR176B, TYR180A, TYR180B, VAL154A, VAL154B, VAL174A, VAL174B, VAL178A, VAL178B, VAL200A, VAL200B
• A-C: ALA134A, ALA134C, ARG167C, ARG39A, ARG39C, ASN165A, ASN165C, ASP138A, ASP138C, ASP162C, ASP40A, ASP40C, CYS125A, CYS125C, GLU129A, GLU129C, GLU32A, GLY128A, GLY128C, HIS133A, HIS133C, ILE135A, ILE135C, ILE166C, ILE67C, LEU127A, LEU170C, LEU37A, LEU37C, LYS126A, LYS126C, LYS131A, LYS131C, LYS139A, LYS139C, LYS142C, LYS169A, LYS169C, PHE29A, PRO71C, SER132A, SER132C, SER164C, SER35A, THR130A, THR130C, THR161C, TRP137C, TRP36A, TRP36C, TYR121C, TYR122A, TYR122C, TYR136A, TYR136C, VAL33A, VAL33C
• A-G: ALA183G, ALA184G, ARG185G, ASN17A, ASN2A, ASP186G, GLN25A, GLU129G, GLU20A, GLU28A, GLU32A, GLY128G, LEU127G, LYS126G, LYS131G, LYS72G, LYS87G, MET23A, PRO21A, PRO71G, SER132G, SER24A, SER3A, THR12A, THR130G, THR5A, TYR11A, TYR15A, VAL4A, VAL6A
• B-D: ALA134B, ALA134D, ALA34D, ARG39B, ARG39D, ASP138B, ASP138D, ASP40B, ASP40D, CYS125D, GLU129B, GLU129D, GLU32B, GLU32D, GLU41D, HIS133B, HIS133D, ILE135B, ILE135D, LEU127D, LEU170B, LEU37B, LEU37D, LYS126B, LYS126D, LYS131B, LYS131D, LYS139B, LYS139D, LYS142B, PHE29B, PHE29D, SER132B, SER132D, SER35B, SER35D, THR130B, THR130D, TRP137B, TRP137D, TRP36B, TRP36D, TYR122B, TYR136B, TYR136D, VAL33B, VAL33D
• B-F: GLU129F, GLY128F, HIS8B, LYS72F, LYS87F, SER24B, SER7B, THR12B, THR5B, TYR11B, VAL6B
• C-D: ALA168C, ALA168D, ARG167C, ARG167D, ARG193C, ASN165D, ASN199C, ASN199D, ASN206C, ASN206D, ASP192C, ASP192D, ASP205C, ASP205D, GLN146C, GLN146D, GLU171C, GLU171D, GLU190D, GLU203C, GLU203D, GLY179D, ILE166D, ILE177C, ILE177D, ILE197C, ILE198C, ILE198D, LEU170C, LEU170D, LEU201C, LEU201D, LEU202C, LEU202D, LEU204C, LEU204D, LYS142D, LYS160D, LYS169C, LYS169D, LYS191D, PHE195C, PRO173C, PRO173D, SER164D, SER172C, SER172D, SER194C, THR175C, THR175D, THR176C, THR176D, TYR180D, VAL154D, VAL174C, VAL174D, VAL178C, VAL178D, VAL200C, VAL200D
• C-E: ALA208C, ALA208E, ASN206C, ASN206E, LEU204C, LEU204E, LYS207C, LYS207E, PRO209C, PRO209E
• C-F: ARG193F, ARG58C, ARG98F, ASN17C, ASN206C, ASP104F, ASP18C, ASP192F, GLN146C, GLN188F, GLU196F, GLU20C, GLY101F, HIS147C, HIS151C, HIS16C, ILE103F, ILE197F, ILE96F, LEU99F, LYS150C, LYS191F, LYS207C, MET1C, PHE189F, PRO173C, PRO21C, SER153C, SER194F, SER3C, SER94F, SER95F, SER97F, THR100F, THR149C, TYR15C, VAL102F, VAL152C, VAL174C, VAL4C
• C-G: ARG185C, ARG185G, ARG187G, ASN165C, LYS160C, SER164C, SER164G, THR161C, TYR180C
• C-H: ARG193C, ARG58H, ARG98C, ASN17H, ASN2H, ASP104C, ASP186C, ASP18H, ASP192C, GLY101C, HIS147H, HIS151H, HIS16H, ILE103C, ILE197C, LEU99C, LYS150H, LYS191C, LYS207H, MET1H, PRO21H, SER3H, SER94C, SER95C, SER97C, THR100C, VAL102C, VAL4H
• D-E: ARG185D, ARG187D, ARG58E, ARG61E, ARG98D, ASN17E, ASN59E, ASP18E, GLU190D, GLU20E, GLY101D, HIS151E, ILE103D, ILE148E, ILE197D, LEU57E, LEU99D, LYS150E, LYS191D, LYS207E, LYS60E, MET1E, PHE189D, PRO173E, PRO21E, SER153E, SER94D, SER95D, SER97D, THR100D, THR149E, TYR180D, VAL152E, VAL174E
• D-F: ARG185D, ARG185F, ASN165D, ASP162D, ASP186D, GLN188F, ILE166D, ILE166F, LYS131D, LYS160D, LYS160F, PHE163D, PHE189F, SER164D, THR161D, THR161F, TYR180D, TYR180F
• D-G: ARG193G, ARG58D, ARG98G, ASN17D, ASN2D, ASP104G, ASP186G, ASP18D, GLU20D, GLY101G, HIS151D, HIS16D, ILE103G, ILE197G, LEU99G, LYS150D, MET1D, PRO21D, SER194G, SER3D, SER94G, SER95G, SER97G, THR100G, TYR105G, TYR15D, VAL102G, VAL4D
• D-H: ALA208D, ALA208H, ARG61D, ARG61H, ASN206D, ASN206H, ASN211H, ASN59D, ASN59H, ASP114H, ASP205D, GLN214H, GLU203D, GLU203H, LEU204D, LEU204H, LYS207D, LYS207H, PRO209D, PRO209H
• E-F: ALA168E, ALA168F, ARG167E, ARG167F, ARG193E, ARG193F, ASN165E, ASN199E, ASN199F, ASN206E, ASN206F, ASP192E, ASP205E, ASP205F, GLN146F, GLU171E, GLU171F, GLU196F, GLU203E, GLU203F, ILE166E, ILE166F, ILE177E, ILE177F, ILE197E, ILE197F, ILE198E, ILE198F, LEU170E, LEU170F, LEU201E, LEU201F, LEU202E, LEU202F, LEU204E, LEU204F, LYS142F, LYS150F, LYS160E, LYS160F, LYS169E, LYS169F, LYS207E, PHE163F, PHE195E, PHE195F, PRO173E, PRO173F, SER153E, SER172E, SER172F, SER194E, SER194F, THR175E, THR175F, THR176E, THR176F, TYR180F, VAL154E, VAL154F, VAL174E, VAL174F, VAL178E, VAL178F, VAL200E, VAL200F
• G-H: ALA168G, ALA168H, ARG167G, ARG167H, ARG193G, ASN165H, ASN199G, ASN199H, ASN206G, ASN206H, ASP192H, ASP205G, ASP205H, GLU203G, GLU203H, GLY179H, ILE166H, ILE177G, ILE177H, ILE197G, ILE197H, ILE198G, ILE198H, LEU170H, LEU201G, LEU201H, LEU202G, LEU202H, LEU204G, LEU204H, LYS169H, PHE195G, PHE195H, PRO173G, SER172G, SER194G, SER194H, THR175G, THR175H, THR176G, THR176H, TYR156H, TYR180H, VAL154H, VAL174G, VAL174H, VAL178G, VAL178H, VAL200G, VAL200H