1NA1

the structure of hrv14 when complexed with pleconaril

• Total interactions analyzed: 6
• Total true interactions: 6
• Strongest Interaction:
  • Chains: A-B
  • Int. Res.: 179
  • Norm. En. per Res.: -4.9304
• 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	-157.964	-49.6829	-674.889	-882.5359	179	46	14	23767	3	38	23
A-C	-259.083	-111.4341	-1103.06	-1473.5771	329	78	23	43641	9	74	59
A-D	-47.3219	-10.0185	-210.981	-268.3215	91	7	4	8612	2	7	9
B-C	-72.3536	-34.5638	-381.503	-488.4204	153	21	16	16836	2	20	4
B-D	-44.3042	9.4477	-141.121	-175.9775	50	9	3	5392	0	6	8
C-D	-44.2942	-0.8619	-203.084	-248.2401	75	13	3	7360	0	6	8

Interface residues

• A-B: ALA133B, ALA194A, ALA196A, ALA197B, ALA209A, ALA257A, ALA260A, ALA28B, ALA29B, ALA31B, ALA36A, ALA41A, ARG113A, ARG123A, ARG12B, ARG192B, ARG214B, ARG255B, ARG256A, ARG259A, ARG268A, ASN139B, ASN160B, ASN172B, ASN174B, ASN180B, ASN190B, ASN194B, ASN195B, ASN198A, ASN205B, ASN216B, ASN217B, ASN219A, ASN270A, ASN274A, ASN30B, ASN37A, ASP11B, ASP168B, ASP202A, ASP207A, ASP208A, ASP210B, ASP46B, ASP84B, CYS121B, CYS199A, CYS34B, GLN131B, GLN187B, GLN212A, GLN262B, GLU117A, GLU129B, GLU136B, GLU210A, GLU276A, GLU27B, GLU37B, GLU38A, GLY137B, GLY138B, GLY163B, GLY175B, GLY179B, GLY203A, GLY214A, GLY267A, GLY40A, HIS130B, HIS135B, HIS148B, HIS186B, HIS206A, HIS215B, ILE127B, ILE183B, ILE189B, ILE199B, ILE204B, ILE215A, ILE254A, ILE259B, ILE266A, ILE279A, LEU118A, LEU122B, LEU123B, LEU132B, LEU170B, LEU177B, LEU178B, LEU181B, LEU182B, LEU191B, LEU193A, LEU218A, LEU261A, LEU82B, LYS114A, LYS143B, LYS167B, LYS273A, LYS280A, LYS81B, MET173B, MET212B, PHE119A, PHE146B, PHE184B, PHE188B, PHE200A, PHE97B, PRO128B, PRO165B, PRO185B, PRO202B, PRO208B, PRO255A, PRO258A, PRO261B, PRO262A, PRO272A, PRO277A, PRO83B, SER134B, SER141B, SER195A, SER205A, SER206B, SER211B, SER219B, SER258B, SER265A, THR120A, THR145B, THR147B, THR176B, THR193B, THR196B, THR198B, THR211A, THR213B, THR216A, THR264A, THR269A, THR275A, THR35A, THR39A, THR42A, TRP253A, TRP80B, TYR121A, TYR144B, TYR171B, TYR190A, TYR197A, TYR201A, TYR203B, TYR204A, TYR213A, TYR263A, TYR271A, TYR35B, VAL122A, VAL124B, VAL126B, VAL140B, VAL142B, VAL166B, VAL169B, VAL207B, VAL217A, VAL218B, VAL260B, VAL278A, VAL32B, VAL33B
• A-C: ALA130C, ALA145C, ALA194A, ALA196A, ALA19A, ALA213C, ALA233C, ALA247A, ALA24C, ALA252A, ALA257A, ALA260A, ALA36A, ALA41A, ALA74A, ALA75A, ARG112C, ARG113A, ARG123A, ARG137C, ARG185A, ARG19C, ARG220C, ARG242A, ARG246A, ARG256A, ARG259A, ARG268A, ARG282A, ARG33C, ARG73A, ARG75C, ASN105A, ASN173A, ASN198A, ASN219A, ASN270A, ASN27C, ASN37A, ASN42C, ASN56C, ASN57C, ASN61A, ASN65C, ASN72C, ASN84C, ASP125A, ASP141C, ASP154C, ASP17C, ASP182A, ASP18C, ASP216C, ASP224C, ASP285A, ASP49A, ASP50C, ASP62C, ASP66A, ASP89C, CYS189C, CYS214C, CYS69A, CYS76A, GLN102C, GLN111A, GLN12C, GLN140C, GLN158C, GLN172C, GLN20C, GLN212A, GLN226C, GLN230C, GLN48C, GLN79C, GLU117A, GLU127A, GLU144C, GLU236C, GLU251A, GLU276A, GLU29C, GLU38A, GLU45C, GLU52A, GLU63C, GLU64A, GLU68A, GLU78C, GLU99C, GLY109C, GLY11C, GLY138C, GLY156C, GLY181A, GLY185C, GLY192A, GLY267A, GLY284A, GLY38C, GLY40A, GLY62A, GLY72A, GLY82C, GLY88C, GLY90C, GLY98C, HIS106C, HIS150C, HIS220A, HIS245A, HIS249A, HIS35C, HIS41C, HIS59A, HIS59C, HIS78A, ILE100C, ILE104A, ILE130A, ILE155C, ILE161C, ILE165C, ILE211C, ILE21A, ILE228C, ILE254A, ILE266A, ILE279A, ILE286A, ILE33A, ILE34C, ILE36C, ILE46C, ILE47C, ILE51A, ILE53C, ILE69C, LEU106A, LEU109A, LEU111C, LEU112A, LEU115C, LEU116A, LEU118A, LEU129C, LEU131A, LEU14C, LEU157C, LEU187C, LEU193A, LEU207C, LEU208C, LEU219C, LEU221C, LEU234C, LEU25C, LEU261A, LEU34A, LEU43C, LEU44C, LEU46A, LEU52C, LEU68C, LEU71A, LEU85C, LEU96C, LEU97C, LYS103A, LYS114A, LYS115A, LYS218C, LYS223C, LYS248A, LYS280A, LYS281A, LYS283A, LYS287A, LYS39C, LYS61C, LYS93C, MET116C, MET163C, MET221A, MET222C, MET43A, MET55C, MET58A, PHE113C, PHE119A, PHE124A, PHE13C, PHE173C, PHE186A, PHE186C, PHE210C, PHE217C, PHE60A, PHE70A, PHE81C, PHE86C, PHE92C, PRO139C, PRO154A, PRO166C, PRO174A, PRO178C, PRO189A, PRO215C, PRO22C, PRO255A, PRO258A, PRO262A, PRO26C, PRO272A, PRO277A, PRO30C, PRO32A, PRO32C, PRO37C, PRO44A, PRO47A, PRO54C, PRO70C, SER107A, SER108A, SER108C, SER110C, SER114C, SER126A, SER159C, SER172A, SER175A, SER184A, SER187A, SER188C, SER195A, SER209C, SER20A, SER212C, SER21C, SER229C, SER23C, SER265A, SER288A, SER48A, SER50A, SER63A, SER66C, THR105C, THR118C, THR120A, THR129A, THR132C, THR149C, THR15C, THR160C, THR164C, THR168C, THR16C, THR17A, THR183A, THR216A, THR225C, THR227C, THR231C, THR235C, THR264A, THR275A, THR31C, THR35A, THR39A, THR42A, THR51C, THR53A, THR56A, THR58C, THR60C, THR65A, THR83C, THR94C, THR95C, TRP107C, TRP153C, TRP167C, TRP190C, TRP253A, TYR103C, TYR104C, TYR117C, TYR121A, TYR128A, TYR131C, TYR152A, TYR190A, TYR191C, TYR197A, TYR244A, TYR263A, TYR289A, TYR28C, TYR57A, TYR67C, VAL101C, VAL110A, VAL122A, VAL151C, VAL152C, VAL162C, VAL176A, VAL188A, VAL18A, VAL191A, VAL217A, VAL232C, VAL243A, VAL250A, VAL278A, VAL31A, VAL40C, VAL45A, VAL49C, VAL64C, VAL67A, VAL77A, VAL79A, VAL80C, VAL91C
• A-D: ALA247A, ALA252A, ALA35D, ALA36A, ALA36D, ALA41A, ALA41D, ALA64D, ALA66D, ARG246A, ARG73A, ASN30D, ASN37A, ASN61A, ASP125A, ASP34D, ASP49A, ASP58D, ASP66A, CYS69A, GLN29A, GLN43D, GLU127A, GLU251A, GLU38A, GLU54D, GLU64A, GLU68A, GLY40A, GLY42D, GLY62A, GLY63D, GLY72A, HIS249A, ILE21A, ILE254A, ILE33A, LEU34A, LEU45D, LEU46A, LEU59D, LEU61D, LEU67D, LYS248A, LYS26A, LYS30A, LYS51D, LYS57D, LYS62D, MET43A, MET47D, MET60D, PHE119A, PHE186A, PHE52D, PHE60A, PRO189A, PRO255A, PRO32A, PRO44A, PRO47A, PRO49D, PRO55D, PRO65D, SER126A, SER187A, SER37D, SER39D, SER40D, SER44D, SER46D, SER48A, SER50D, SER63A, THR17A, THR28A, THR35A, THR38D, THR39A, THR42A, THR53D, THR65A, TRP253A, TYR190A, TYR32D, VAL188A, VAL250A, VAL31A, VAL45A, VAL56D, VAL67A
• B-C: ALA121C, ALA125C, ALA226B, ALA234B, ALA29B, ALA36B, ALA47B, ARG103B, ARG12B, ARG192B, ARG33C, ASN139B, ASN172B, ASN180B, ASN190B, ASN194B, ASN205B, ASN65C, ASP11B, ASP154C, ASP168B, ASP46B, ASP50C, ASP62C, CYS121B, CYS34B, GLN158C, GLN187B, GLN204C, GLN226C, GLN48C, GLU200C, GLU236C, GLU27B, GLU37B, GLU40B, GLU45C, GLU63C, GLU99C, GLY119C, GLY120B, GLY138B, GLY156C, GLY179B, GLY203C, GLY233B, GLY38C, GLY77B, GLY98C, HIS118B, HIS186B, HIS35C, ILE100C, ILE155C, ILE183B, ILE189B, ILE201B, ILE204B, ILE209B, ILE211C, ILE223B, ILE225B, ILE34C, ILE36C, ILE46C, ILE47C, ILE53C, ILE69C, LEU122B, LEU122C, LEU123B, LEU157C, LEU170B, LEU177B, LEU178B, LEU181B, LEU182B, LEU191B, LEU197C, LEU207C, LEU208C, LEU228B, LEU234C, LEU42B, LEU52C, LEU68C, LEU96C, LEU97C, LYS116B, LYS39C, LYS61C, LYS76B, LYS93C, MET116C, PHE117B, PHE184B, PHE188B, PHE210C, PRO120C, PRO128B, PRO185B, PRO198C, PRO199C, PRO202B, PRO208B, PRO224B, PRO227B, PRO231B, PRO32C, PRO37C, PRO39B, PRO43B, PRO54C, SER119B, SER123C, SER124C, SER159C, SER206B, SER209C, SER48B, SER66C, SER75B, THR115B, THR118C, THR160C, THR176B, THR193B, THR201C, THR202C, THR229B, THR232B, THR235C, THR31C, THR51C, THR94C, THR95C, TRP153C, TRP38B, TYR117C, TYR171B, TYR203B, TYR206C, TYR35B, TYR67C, VAL169B, VAL205C, VAL207B, VAL230B, VAL40C, VAL45B, VAL49C, VAL64C, VAL91C
• B-D: ALA28B, ALA29B, ALA31B, ALA36B, ALA66D, ARG12B, ARG192B, ASN190B, ASN194B, ASN30B, ASN68D, ASP11B, ASP48D, ASP58D, CYS34B, GLN14B, GLN15B, GLN187B, GLU27B, GLU37B, GLU54D, GLY8B, HIS186B, ILE16B, ILE183B, ILE199B, LEU182B, LEU59D, LEU67D, LYS51D, LYS57D, MET60D, PHE184B, PHE52D, PRO185B, PRO55D, PRO65D, SER10B, SER50D, THR193B, THR198B, THR53D, TRP38B, TYR35B, TYR9B, VAL13B, VAL200B, VAL32B, VAL33B, VAL56D
• C-D: ALA213C, ALA24C, ALA35D, ALA36D, ALA41D, ALA64D, ALA66D, ARG112C, ARG19C, ASN27C, ASN30D, ASN42C, ASN68D, ASP17C, ASP18C, ASP34D, ASP48D, ASP50C, GLN158C, GLN20C, GLN43D, GLN48C, GLU45C, GLU54D, GLY156C, GLY38C, GLY42D, HIS35C, HIS41C, ILE29D, ILE36C, ILE46C, ILE47C, LEU157C, LEU25C, LEU43C, LEU44C, LEU45D, LEU67D, LEU96C, LYS218C, LYS33D, LYS39C, LYS51D, LYS62D, MET116C, MET47D, PHE217C, PHE52D, PRO215C, PRO22C, PRO26C, PRO30C, PRO37C, PRO49D, PRO55D, PRO65D, SER159C, SER212C, SER21C, SER23C, SER37D, SER39D, SER40D, SER44D, SER46D, SER50D, THR160C, THR38D, THR53D, TYR28C, TYR31D, TYR32D, VAL40C, VAL49C