2XYZ

de novo model of bacteriophage p22 virion coat protein

• Total interactions analyzed: 21
• Total true interactions: 8
• Strongest Interaction:
  • Chains: E-F
  • Int. Res.: 97
  • Norm. En. per Res.: -0.1464
• Hub Node: A(3)

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	0.0	113.402	113.402	97	45	0	2024	0	0	0
A-F	0.0	0.0	17.9335	17.9335	84	12	0	1556	0	0	0
A-G	0.0	0.0	-0.0059	-0.0059	2	0	0	5	0	0	0
B-C	0.0	0.0	13.8742	13.8742	82	8	0	1437	0	0	0
B-G	0.0	0.0	-3.3818	-3.3818	38	0	0	400	0	0	0
C-D	0.0	0.0	1.2407	1.2407	86	27	0	1294	0	0	0
D-E	0.0	0.0	17.2878	17.2878	88	7	0	1422	0	0	0
E-F	0.0	0.0	-14.1994	-14.1994	97	0	0	1638	0	0	0

Interface residues

• A-B: ALA107B, ALA108B, ALA112B, ALA142A, ALA149A, ALA195B, ALA206A, ALA328A, ALA408B, ALA67A, ALA91B, ARG101B, ARG102B, ARG103B, ARG109B, ARG185A, ARG190A, ARG190B, ARG197B, ARG203A, ARG325A, ARG406B, ARG90B, ASN113B, ASN114B, ASN146A, ASN329A, ASN331A, ASN84B, ASP143A, ASP150A, ASP186A, ASP198B, ASP62A, ASP65A, ASP85B, GLN105B, GLN173B, GLN204A, GLN324A, GLN58A, GLN88B, GLU153A, GLU193B, GLU54A, GLU59A, GLU72A, GLY179B, GLY189A, GLY189B, GLY60A, GLY69A, ILE104B, ILE154A, ILE187A, ILE187B, ILE191A, ILE407B, LEU111B, LEU117B, LEU182A, LEU409B, LEU63A, LEU70A, LEU71A, LEU89B, LYS110B, LYS176B, LYS184B, LYS216B, LYS66A, PHE147A, PHE156A, PHE188A, PHE188B, PHE86B, PHE87B, PRO172B, PRO192B, PRO215B, PRO56A, SER106B, SER157A, SER214B, SER55A, THR183B, THR200A, THR57A, THR64A, TRP145A, TRP61A, TYR180B, TYR196B, TYR327A, VAL205A, VAL219B, VAL330A
• A-F: ALA107A, ALA108A, ALA112A, ALA149F, ALA195A, ALA206F, ALA314F, ALA328F, ALA408A, ALA67F, ALA91A, ARG102A, ARG103A, ARG109A, ARG185A, ARG185F, ARG197A, ARG203F, ARG406A, ARG90A, ASN113A, ASN114A, ASN146F, ASN329F, ASN331F, ASN84A, ASP143F, ASP150F, ASP186A, ASP198A, ASP317F, ASP62F, ASP85A, GLN105A, GLN204F, GLN324F, GLN58F, GLN88A, GLU193A, GLU194A, GLU54F, GLU59F, GLY60F, GLY69F, ILE104A, ILE187A, ILE201F, ILE407A, LEU111A, LEU117A, LEU217A, LEU404A, LEU409A, LEU63F, LEU89A, LYS110A, LYS176A, LYS184A, LYS184F, LYS216A, LYS66F, PHE86A, PHE87A, PRO215A, PRO218A, PRO56F, SER106A, SER157F, SER214A, SER333F, SER55F, THR200F, THR332F, THR57F, THR68F, TRP145F, TRP61F, TYR180A, TYR196A, TYR327F, VAL205F, VAL219A, VAL318F, VAL330F
• A-G: LYS272A, MET79G
• B-C: ALA107C, ALA149B, ALA195C, ALA206B, ALA314B, ALA328B, ALA408C, ALA67B, ALA91C, ARG103C, ARG185B, ARG185C, ARG190B, ARG197C, ARG203B, ARG325B, ARG90C, ASN113C, ASN114C, ASN146B, ASN329B, ASN331B, ASN84C, ASP150B, ASP186B, ASP186C, ASP198C, ASP62B, ASP65B, ASP85C, GLN173C, GLN202B, GLN204B, GLN324B, GLN58B, GLN88C, GLU153B, GLU193C, GLU194C, GLY207B, GLY60B, GLY69B, HIS370C, ILE154B, ILE187B, ILE191B, ILE201B, LEU111C, LEU117C, LEU217C, LEU63B, LEU89C, LYS110C, LYS176C, LYS177C, LYS184C, LYS216C, LYS32C, LYS66B, PHE156B, PHE188B, PHE86C, PHE87C, PRO172C, PRO192C, PRO215C, PRO218C, SER157B, SER214C, SER333B, SER55B, THR183C, THR332B, THR64B, THR68B, TRP61B, TYR180C, TYR196C, TYR327B, VAL205B, VAL219C, VAL330B
• B-G: ALA12B, ALA12G, ALA2G, ALA393B, ALA393G, ARG406G, ARG95B, ASN4G, ASP14B, ASP397B, ASP397G, CYS405B, CYS405G, GLN395B, GLN395G, GLN88G, GLU15B, GLU5G, GLY396B, GLY403B, ILE398B, ILE8G, LEU11B, LEU11G, LEU3G, LEU404B, LEU404G, LEU94B, PHE87G, SER399B, SER402B, THR10B, THR10G, THR394B, THR394G, TYR100B, VAL13B, VAL9G
• C-D: ALA107D, ALA142C, ALA149C, ALA195D, ALA206C, ALA328C, ALA408D, ALA67C, ALA91D, ARG103D, ARG185C, ARG185D, ARG190C, ARG197D, ARG203C, ARG325C, ARG406D, ARG90D, ASN113D, ASN114D, ASN146C, ASN329C, ASN331C, ASN84D, ASP143C, ASP150C, ASP186C, ASP186D, ASP198D, ASP62C, ASP65C, ASP85D, CYS405D, GLN173D, GLN204C, GLN324C, GLN58C, GLN88D, GLU193D, GLU194D, GLU59C, GLY189C, GLY207C, GLY60C, GLY69C, ILE187C, ILE187D, ILE407D, LEU111D, LEU117D, LEU182C, LEU217D, LEU404D, LEU63C, LEU70C, LEU89D, LYS110D, LYS176D, LYS184C, LYS184D, LYS216D, LYS66C, PHE188C, PHE86D, PHE87D, PRO192D, PRO215D, PRO218D, PRO56C, SER106D, SER157C, SER214D, SER55C, THR183C, THR183D, THR332C, THR57C, THR64C, THR68C, TRP61C, TYR180D, TYR196D, TYR327C, VAL205C, VAL219D, VAL330C
• D-E: ALA107E, ALA108E, ALA142D, ALA149D, ALA206D, ALA328D, ALA408E, ALA67D, ALA91E, ARG102E, ARG103E, ARG109E, ARG185D, ARG185E, ARG190D, ARG190E, ARG197E, ARG406E, ARG90E, ASN113E, ASN114E, ASN146D, ASN329D, ASN331D, ASN84E, ASP143D, ASP150D, ASP186D, ASP186E, ASP198E, ASP62D, ASP65D, ASP85E, GLN105E, GLN173E, GLN204D, GLN324D, GLN58D, GLN88E, GLU153D, GLU193E, GLU194E, GLU59D, GLY189D, GLY189E, GLY60D, GLY69D, ILE104E, ILE187D, ILE187E, ILE201D, ILE407E, LEU111E, LEU117E, LEU182D, LEU63D, LEU70D, LEU71D, LEU89E, LYS110E, LYS176E, LYS184D, LYS216E, LYS66D, PHE188D, PHE188E, PHE86E, PHE87E, PRO192E, PRO215E, PRO56D, SER106E, SER157D, SER214E, SER333D, SER55D, THR183D, THR183E, THR332D, THR57D, THR68D, TRP145D, TRP61D, TYR180E, TYR196E, TYR327D, VAL205D, VAL330D
• E-F: ALA107F, ALA108F, ALA142E, ALA149E, ALA195F, ALA206E, ALA328E, ALA67E, ALA91F, ARG102F, ARG103F, ARG109F, ARG185E, ARG190E, ARG197F, ARG203E, ARG325E, ARG406F, ARG90F, ASN113F, ASN114F, ASN146E, ASN329E, ASN331E, ASN84F, ASP143E, ASP150E, ASP186E, ASP186F, ASP62E, ASP65E, ASP83F, ASP85F, GLN105F, GLN173F, GLN204E, GLN324E, GLN58E, GLN88F, GLU116F, GLU193F, GLU323E, GLU54E, GLU59E, GLY179F, GLY189E, GLY189F, GLY60E, GLY69E, HIS370F, ILE104F, ILE154E, ILE187E, ILE187F, ILE201E, LEU111F, LEU117F, LEU182F, LEU217F, LEU334E, LEU70E, LEU89F, LYS110F, LYS176F, LYS184E, LYS184F, LYS216F, LYS66E, PHE147E, PHE156E, PHE188E, PHE188F, PHE86F, PHE87F, PRO172F, PRO192F, PRO215F, PRO218F, PRO56E, SER106F, SER157E, SER214F, SER333E, SER55E, THR183F, THR332E, THR57E, THR68E, TRP145E, TRP61E, TYR180F, TYR196F, TYR327E, VAL205E, VAL219F, VAL318E, VAL330E