1ND3

the structure of hrv16, when complexed with pleconaril, an antiviral compound

• Total interactions analyzed: 6
• Total true interactions: 5
• Strongest Interaction:
  • Chains: A-B
  • Int. Res.: 179
  • Norm. En. per Res.: -5.0749
• 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	-177.8821	-63.2164	-667.309	-908.4075	179	33	16	23587	2	43	33
A-C	-270.3076	-97.0243	-1112.14	-1479.4719	321	56	31	44281	12	67	55
A-D	-34.2782	-18.3791	-153.863	-206.5203	63	7	6	6344	0	16	14
B-C	-66.8465	0.3916	-420.54	-486.9949	160	13	11	17109	0	6	2
C-D	-31.866	-1.1709	-84.8324	-117.8693	33	3	0	2681	0	3	4

Interface residues

• A-B: ALA116A, ALA133B, ALA142B, ALA187A, ALA189A, ALA198B, ALA207B, ALA253A, ALA275A, ALA29B, ALA31B, ALA36A, ALA37A, ARG107A, ARG108A, ARG117A, ARG193B, ARG205A, ARG215B, ARG249A, ARG252A, ARG255B, ASN136B, ASN139B, ASN141B, ASN170B, ASN173B, ASN181B, ASN191B, ASN195B, ASN206B, ASN217B, ASN218B, ASN263A, ASN272A, ASN30B, ASP168B, ASP169B, ASP175B, ASP195A, ASP198A, ASP200A, ASP211B, ASP273A, ASP35A, ASP46B, ASP84B, CYS247A, GLN101A, GLN131B, GLN188B, GLN255A, GLN261B, GLU111A, GLU129B, GLU269A, GLU38A, GLY138B, GLY143B, GLY176B, GLY180B, GLY196A, GLY199A, GLY207A, GLY34B, GLY36B, GLY40A, HIS130B, HIS148B, HIS187B, HIS216B, HIS258A, HIS260A, HIS271A, HIS41A, ILE127B, ILE184B, ILE186A, ILE190B, ILE276A, LEU122B, LEU123B, LEU132B, LEU172B, LEU178B, LEU179B, LEU182B, LEU183B, LEU192B, LEU200B, LEU266A, LEU82B, LYS137B, LYS145B, LYS164B, LYS203A, LYS265A, LYS81B, MET112A, MET192A, MET210B, PHE113A, PHE174B, PHE183A, PHE185B, PHE189B, PHE193A, PHE97B, PRO128B, PRO166B, PRO186B, PRO203B, PRO209B, PRO248A, PRO250A, PRO251A, PRO83B, SER167B, SER185A, SER188A, SER194B, SER197B, SER204A, SER212B, SER220B, SER257A, SER267A, SER268A, THR114A, THR121B, THR134B, THR147B, THR177B, THR199B, THR201A, THR208A, THR211A, THR258B, THR259A, THR261A, THR262A, THR39A, THR42A, THR48B, TRP171B, TRP219B, TRP246A, TRP79B, TYR115A, TYR144B, TYR146B, TYR190A, TYR191A, TYR194A, TYR197A, TYR202A, TYR204B, TYR206A, TYR256A, TYR264A, TYR35B, VAL124B, VAL125B, VAL135B, VAL140B, VAL205B, VAL208B, VAL209A, VAL210A, VAL214B, VAL254A, VAL259B, VAL260B, VAL270A, VAL274A, VAL28B, VAL32B, VAL33B, VAL37B
• A-C: ALA103C, ALA104A, ALA116A, ALA166A, ALA187A, ALA189A, ALA224C, ALA245A, ALA24C, ALA253A, ALA275A, ALA30A, ALA31A, ALA36A, ALA37A, ALA84C, ALA90C, ALA95C, ARG107A, ARG108A, ARG114C, ARG117A, ARG178A, ARG222C, ARG225C, ARG235A, ARG249A, ARG252A, ARG277A, ARG279A, ARG73A, ASN165A, ASN19A, ASN21A, ASN272A, ASN281A, ASN29A, ASN42C, ASN43A, ASN56C, ASN61C, ASN64C, ASN97A, ASN99A, ASP119A, ASP156C, ASP17C, ASP18C, ASP218C, ASP226C, ASP228C, ASP273A, ASP35A, ASP49A, ASP50C, ASP63A, CYS120C, CYS191C, CYS211C, CYS216C, CYS220C, CYS23C, CYS247A, CYS47C, CYS76A, GLN101A, GLN105A, GLN12C, GLN160C, GLN174A, GLN174C, GLN20C, GLN232C, GLN238C, GLN255A, GLN46A, GLN48C, GLN57A, GLN59C, GLN60A, GLU101C, GLU102A, GLU111A, GLU121A, GLU269A, GLU33C, GLU38A, GLU39C, GLU45C, GLU48A, GLU52A, GLU64A, GLU68A, GLU79A, GLU80C, GLU81C, GLY100C, GLY111C, GLY11C, GLY139C, GLY158C, GLY187C, GLY215C, GLY234C, GLY38C, GLY40A, GLY63C, GLY72A, GLY75A, HIS108C, HIS152C, HIS230C, HIS238A, HIS242A, HIS258A, HIS260A, HIS271A, HIS29C, HIS41A, HIS92C, ILE102C, ILE106A, ILE122A, ILE170C, ILE186A, ILE189C, ILE20A, ILE236A, ILE236C, ILE276A, ILE34C, ILE36C, ILE44C, ILE45A, ILE51A, ILE53C, ILE55C, ILE62C, ILE82C, ILE85C, ILE98A, ILE99C, LEU113C, LEU131C, LEU159C, LEU15A, LEU165C, LEU181A, LEU184A, LEU210C, LEU221C, LEU229C, LEU25C, LEU266A, LEU282A, LEU34A, LEU43C, LEU52C, LEU62A, LEU71A, LEU72C, LEU94C, LEU98C, LYS109A, LYS140C, LYS217C, LYS231C, LYS239A, LYS241A, LYS244A, LYS265A, LYS32C, LYS41C, LYS44A, LYS86C, MET103A, MET112A, MET118C, MET124A, MET14C, MET19C, MET209C, MET214A, MET223C, MET46C, MET65A, MET67C, PHE106C, PHE110A, PHE113A, PHE115C, PHE117C, PHE118A, PHE119C, PHE13C, PHE176A, PHE179A, PHE183A, PHE212C, PHE219C, PHE35C, PHE70A, PHE83C, PRO126A, PRO141C, PRO146A, PRO168C, PRO175A, PRO177A, PRO180C, PRO182A, PRO18A, PRO22C, PRO235C, PRO248A, PRO250A, PRO251A, PRO26C, PRO278A, PRO30C, PRO32A, PRO37C, PRO47A, PRO54C, PRO93C, SER104C, SER10C, SER112C, SER116C, SER120A, SER161C, SER164C, SER167A, SER180A, SER185A, SER188A, SER214C, SER21C, SER257A, SER57C, SER58A, SER59A, SER60C, SER66A, SER66C, SER69A, SER74A, SER91C, THR107C, THR110C, THR114A, THR123A, THR151C, THR15C, THR162C, THR164A, THR16C, THR179C, THR190C, THR227C, THR233C, THR237C, THR243A, THR259A, THR261A, THR280A, THR283A, THR284A, THR31C, THR39A, THR42A, THR50A, THR51C, THR53A, THR58C, THR61A, THR69C, THR71C, THR96C, THR97C, TRP109C, TRP155C, TRP169C, TRP192C, TRP246A, TRP27C, TRP96A, TYR105C, TYR115A, TYR133C, TYR144A, TYR175C, TYR188C, TYR190A, TYR237A, TYR256A, TYR28C, TYR68C, VAL125A, VAL153C, VAL154C, VAL157C, VAL163C, VAL166C, VAL167C, VAL168A, VAL16A, VAL17A, VAL209A, VAL213C, VAL254A, VAL270A, VAL274A, VAL285A, VAL33A, VAL40C, VAL49C, VAL56A, VAL67A, VAL70C, VAL87C
• A-D: ALA240A, ALA35D, ALA36D, ALA40D, ARG42D, ARG5A, ARG6D, ASN12A, ASN1A, ASN25D, ASN28D, ASP119A, ASP34D, ASP44D, ASP63A, ASP8A, GLN3D, GLN7D, GLU121A, GLU13A, GLU4A, GLU64A, GLU68A, GLU9A, GLY39D, GLY72A, HIS242A, ILE24D, LEU15A, LEU181A, LEU43D, LEU62A, LYS239A, LYS241A, LYS244A, MET65A, PHE118A, PHE179A, PHE183A, PHE27D, PHE32D, PHE70A, PRO182A, PRO2A, SER120A, SER180A, SER23D, SER37D, SER38D, SER41D, SER5D, SER66A, SER69A, THR243A, THR61A, TYR26D, TYR6A, VAL10A, VAL14A, VAL3A, VAL4D, VAL67A, VAL7A
• B-C: ALA123C, ALA207B, ALA207C, ALA29B, ALA47B, ALA49B, ALA95C, ARG103B, ARG12B, ARG193B, ASN124C, ASN139B, ASN141B, ASN170B, ASN173B, ASN181B, ASN191B, ASN195B, ASN202C, ASN205C, ASN206B, ASN232B, ASN233B, ASN61C, ASN64C, ASP156C, ASP169B, ASP27B, ASP46B, ASP50C, CYS120C, CYS211C, CYS227B, CYS47C, GLN119B, GLN160C, GLN188B, GLN228B, GLN230B, GLN238C, GLN45B, GLN48C, GLU101C, GLU208C, GLU33C, GLU39C, GLU45C, GLY100C, GLY120B, GLY121C, GLY138B, GLY158C, GLY176B, GLY180B, GLY34B, GLY36B, GLY38C, GLY63C, GLY77B, HIS118B, HIS187B, HIS230C, HIS40B, ILE102C, ILE184B, ILE190B, ILE224B, ILE234B, ILE34C, ILE36C, ILE53C, ILE62C, ILE99C, LEU122B, LEU123B, LEU127C, LEU159C, LEU172B, LEU178B, LEU179B, LEU182B, LEU183B, LEU192B, LEU210C, LEU229B, LEU229C, LEU42B, LEU52C, LEU72C, LEU98C, LYS116B, LYS32C, LYS76B, MET118C, MET209C, MET210B, MET46C, MET67C, PHE117B, PHE119C, PHE185B, PHE189B, PHE197C, PHE212C, PHE35C, PRO128B, PRO186B, PRO200C, PRO201C, PRO203B, PRO204C, PRO209B, PRO225B, PRO37C, PRO39B, PRO44B, PRO54C, SER115B, SER161C, SER194B, SER231B, SER66C, SER75B, THR121B, THR122C, THR125C, THR126C, THR162C, THR177B, THR203C, THR206C, THR237C, THR31C, THR43B, THR48B, THR51C, THR69C, THR71C, THR96C, THR97C, TRP155C, TRP171B, TRP219B, TRP38B, TYR204B, TYR35B, TYR68C, VAL157C, VAL199C, VAL202B, VAL205B, VAL208B, VAL213C, VAL226B, VAL33B, VAL37B, VAL40C, VAL49C, VAL65C, VAL70C
• C-D: ALA24C, ALA2D, ALA35D, ALA36D, ALA40D, ASN28D, ASN30D, ASN42C, ASP17C, ASP18C, ASP34D, ASP44D, CYS23C, GLN20C, GLY39D, HIS29C, ILE29D, LEU25C, LEU43D, LYS33D, LYS41C, MET19C, PHE32D, PRO22C, PRO26C, PRO30C, SER21C, SER37D, SER38D, SER41D, TRP27C, TYR28C, TYR31D