3PU1

crystal structure of a vesicular stomatitis virus nucleocapsid-polyg complex

• Total interactions analyzed: 15
• Total true interactions: 7
• Strongest Interaction:
  • Chains: A-C
  • Int. Res.: 27
  • Norm. En. per Res.: -3.0419
• 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	-24.1503	-47.1326	-554.195	-625.478	243	36	13	24950	10	71	59
A-C	-9.1636	0.0	-72.9675	-82.1311	27	3	3	3167	0	2	2
A-E	-30.8751	-54.9063	-523.243	-609.0243	247	28	13	24225	11	77	61
B-C	-30.3728	-75.6497	-531.003	-637.0255	248	51	12	25321	13	77	58
B-D	0.0	0.0	-66.9872	-66.9872	27	5	3	3236	0	2	2
B-E	0.0	0.0	-67.8602	-67.8602	26	4	3	3175	0	2	2
C-D	-21.918	-67.5406	-547.494	-636.9526	244	37	13	25249	10	74	58

Interface residues

• A-B: ALA20A, ALA226B, ALA229B, ALA255A, ALA255B, ALA271B, ALA296A, ALA305B, ALA313B, ALA330A, ALA335B, ALA337B, ALA342B, ALA345B, ALA368B, ALA400B, ARG179A, ARG221B, ARG252A, ARG252B, ARG309B, ARG312B, ARG314B, ARG373B, ARG387A, ARG399B, ARG7A, ASN162B, ASN168B, ASN187A, ASN190A, ASN21A, ASN251A, ASN251B, ASN353B, ASN386A, ASN63A, ASP10A, ASP158B, ASP180A, ASP183A, ASP188A, ASP23A, ASP244A, ASP244B, ASP256A, ASP256B, ASP269B, ASP272B, ASP320A, ASP321A, ASP343B, ASP352B, ASP358B, ASP374A, ASP384A, ASP392B, ASP421A, CYS164B, CYS225B, CYS235B, CYS349B, GLN148A, GLN163B, GLN170B, GLN260A, GLN260B, GLN266B, GLN318A, GLN346B, GLN347B, GLN371B, GLN405B, GLU169B, GLU177A, GLU209B, GLU22A, GLU243A, GLU243B, GLU253A, GLU253B, GLU257A, GLU257B, GLU267B, GLU26A, GLU323A, GLU377A, GLU383A, GLU409A, GLU419A, GLY178A, GLY186A, GLY232B, GLY239B, GLY265B, GLY282A, GLY331A, GLY339B, GLY351B, GLY372B, GLY380A, GLY406B, GLY62A, HIS203B, HIS233B, ILE14A, ILE167B, ILE181A, ILE237B, ILE249A, ILE249B, ILE268B, ILE322A, ILE66A, ILE67A, ILE8A, ILE9A, LEU160B, LEU18A, LEU228B, LEU234B, LEU250A, LEU263B, LEU307B, LEU308B, LEU327A, LEU332A, LEU333A, LEU344B, LEU379A, LEU379B, LEU404B, LYS165B, LYS17A, LYS206B, LYS207B, LYS236B, LYS270B, LYS286A, LYS34A, LYS354B, LYS388A, LYS398B, LYS410A, LYS414A, LYS417A, LYS422A, LYS6A, LYS86B, MET157B, MET166B, MET240B, MET258A, MET258B, MET261B, MET262A, MET262B, MET275B, MET393A, MET393B, MET394A, MET402B, PHE182A, PHE222B, PHE231B, PHE297A, PHE299A, PHE348B, PHE382A, PHE420A, PRO16A, PRO19A, PRO24A, PRO264B, PRO276B, PRO295A, PRO319A, PRO357B, PRO369B, PRO370B, PRO389A, SER189A, SER212B, SER241A, SER241B, SER273B, SER284A, SER285A, SER2A, SER310B, SER326A, SER340B, SER341B, SER403B, SER418A, THR12A, THR161B, THR230B, THR238B, THR242B, THR246A, THR246B, THR247A, THR247B, THR311B, THR325A, THR328A, THR329A, THR356B, THR365B, THR411A, THR4A, TRP185A, TRP248A, TRP300A, TRP378A, TRP378B, TRP381A, TRP381B, TYR289B, TYR324A, TYR334A, TYR336B, TYR355B, TYR396B, TYR415A, VAL13A, VAL15A, VAL175A, VAL184A, VAL245A, VAL245B, VAL254A, VAL254B, VAL259A, VAL259B, VAL338B, VAL350B, VAL375A, VAL376A, VAL3A, VAL401B, VAL5A
• A-C: ALA345C, ARG7A, ASN11A, ASN353C, ASP10A, ASP352C, CYS349C, GLN346C, GLN347C, GLY351C, ILE14A, ILE8A, ILE9A, LYS354C, LYS6A, PHE348C, PRO16A, SER2A, THR12A, THR356C, THR4A, TYR355C, VAL13A, VAL15A, VAL350C, VAL3A, VAL5A
• A-E: ALA20E, ALA226A, ALA229A, ALA255A, ALA255E, ALA271A, ALA305A, ALA313A, ALA330E, ALA335A, ALA337A, ALA342A, ALA345A, ALA368A, ALA400A, ARG179E, ARG221A, ARG252A, ARG252E, ARG309A, ARG312A, ARG314A, ARG373A, ARG387E, ARG399A, ARG408A, ARG7E, ASN162A, ASN168A, ASN187E, ASN21E, ASN251A, ASN251E, ASN353A, ASN386E, ASN63E, ASP10E, ASP158A, ASP180E, ASP183E, ASP188E, ASP23E, ASP244A, ASP244E, ASP256A, ASP256E, ASP269A, ASP272A, ASP320E, ASP321E, ASP343A, ASP352A, ASP358A, ASP359A, ASP374E, ASP384E, ASP392A, ASP421E, CYS164A, CYS225A, CYS235A, CYS349A, GLN148E, GLN163A, GLN170A, GLN260A, GLN260E, GLN266A, GLN318E, GLN346A, GLN347A, GLN371A, GLN385E, GLN395A, GLN405A, GLU169A, GLU177E, GLU22E, GLU243A, GLU243E, GLU253A, GLU253E, GLU257A, GLU257E, GLU267A, GLU26E, GLU323E, GLU377E, GLU383E, GLU409E, GLU419E, GLY178E, GLY186E, GLY232A, GLY239A, GLY265A, GLY331E, GLY339A, GLY351A, GLY362A, GLY363A, GLY372A, GLY380E, GLY406A, GLY62E, HIS203A, HIS233A, ILE14E, ILE167A, ILE181E, ILE237A, ILE249A, ILE249E, ILE268A, ILE322E, ILE66E, ILE67E, ILE8E, ILE9E, LEU117E, LEU160A, LEU18E, LEU228A, LEU234A, LEU250E, LEU263A, LEU306A, LEU307A, LEU308A, LEU327E, LEU332E, LEU333E, LEU344A, LEU364A, LEU379E, LEU404A, LYS165A, LYS17E, LYS206A, LYS207A, LYS236A, LYS270A, LYS286E, LYS34E, LYS354A, LYS388E, LYS398A, LYS410E, LYS414E, LYS417E, LYS422E, LYS6E, LYS86A, MET157A, MET166A, MET240A, MET258A, MET258E, MET261A, MET262A, MET262E, MET275A, MET393A, MET394E, MET402A, PHE182E, PHE222A, PHE231A, PHE297E, PHE299E, PHE348A, PHE382E, PHE420E, PRO16E, PRO19E, PRO24E, PRO264A, PRO276A, PRO295E, PRO319E, PRO357A, PRO369A, PRO370A, PRO389E, SER189E, SER212A, SER241A, SER273A, SER284E, SER285E, SER2E, SER310A, SER326E, SER340A, SER341A, SER360A, SER403A, SER418E, SER65E, THR12E, THR161A, THR230A, THR238A, THR242A, THR246A, THR246E, THR247A, THR247E, THR311A, THR325E, THR328E, THR329E, THR356A, THR361A, THR411E, THR4E, TRP185E, TRP248E, TRP300E, TRP378A, TRP378E, TRP381A, TRP381E, TYR289A, TYR324E, TYR334E, TYR336A, TYR355A, TYR396A, TYR415E, VAL13E, VAL15E, VAL184E, VAL245A, VAL245E, VAL254A, VAL254E, VAL259A, VAL259E, VAL338A, VAL350A, VAL375E, VAL376E, VAL3E, VAL401A, VAL5E, VAL64E
• B-C: ALA20B, ALA226C, ALA227C, ALA229C, ALA255B, ALA255C, ALA271C, ALA305C, ALA313C, ALA330B, ALA335C, ALA337C, ALA342C, ALA345C, ALA368C, ALA400C, ARG179B, ARG214C, ARG221C, ARG252B, ARG252C, ARG309C, ARG312C, ARG314C, ARG373C, ARG387B, ARG399C, ARG7B, ASN162C, ASN168C, ASN187B, ASN21B, ASN251B, ASN251C, ASN353C, ASN386B, ASN63B, ASP10B, ASP158C, ASP180B, ASP183B, ASP188B, ASP23B, ASP244B, ASP244C, ASP256B, ASP256C, ASP269C, ASP272C, ASP320B, ASP321B, ASP343C, ASP352C, ASP374B, ASP384B, ASP392C, ASP421B, CYS164C, CYS225C, CYS235C, CYS349C, GLN148B, GLN163C, GLN170C, GLN260B, GLN260C, GLN266C, GLN318B, GLN346C, GLN347C, GLN371C, GLN385B, GLN395C, GLN405C, GLU169C, GLU177B, GLU22B, GLU243B, GLU243C, GLU253B, GLU253C, GLU257B, GLU257C, GLU267C, GLU26B, GLU323B, GLU377B, GLU383B, GLU409B, GLU419B, GLY178B, GLY186B, GLY232C, GLY239C, GLY265C, GLY282B, GLY331B, GLY339C, GLY351C, GLY372C, GLY380B, GLY406C, GLY62B, HIS203C, HIS233C, ILE14B, ILE167C, ILE181B, ILE237C, ILE249B, ILE249C, ILE268C, ILE322B, ILE66B, ILE67B, ILE8B, ILE9B, LEU113B, LEU117B, LEU160C, LEU18B, LEU228C, LEU234C, LEU250B, LEU263C, LEU283B, LEU306C, LEU307C, LEU308C, LEU327B, LEU332B, LEU333B, LEU344C, LEU379B, LEU379C, LEU404C, LYS132C, LYS165C, LYS17B, LYS206C, LYS207C, LYS236C, LYS270C, LYS286B, LYS34B, LYS354C, LYS388B, LYS398C, LYS410B, LYS414B, LYS417B, LYS422B, LYS6B, MET157C, MET166C, MET240C, MET258B, MET258C, MET261C, MET262B, MET262C, MET275C, MET393B, MET394B, MET402C, PHE182B, PHE222C, PHE231C, PHE297B, PHE297C, PHE299B, PHE348C, PHE382B, PHE420B, PRO16B, PRO19B, PRO24B, PRO264C, PRO276C, PRO295B, PRO319B, PRO357C, PRO369C, PRO370C, PRO389B, SER189B, SER212C, SER241B, SER241C, SER273C, SER284B, SER285B, SER2B, SER310C, SER326B, SER340C, SER341C, SER403C, SER418B, SER65B, THR12B, THR161C, THR230C, THR238C, THR242C, THR246B, THR246C, THR247B, THR247C, THR311C, THR325B, THR328B, THR329B, THR356C, THR411B, THR4B, TRP185B, TRP248B, TRP248C, TRP300B, TRP378B, TRP378C, TRP381B, TRP381C, TYR289C, TYR324B, TYR334B, TYR336C, TYR355C, TYR396C, TYR415B, VAL13B, VAL15B, VAL184B, VAL245B, VAL245C, VAL254B, VAL254C, VAL259B, VAL259C, VAL338C, VAL350C, VAL375B, VAL376B, VAL3B, VAL401C, VAL5B, VAL64B
• B-D: ALA345D, ARG7B, ASN11B, ASN353D, ASP10B, ASP352D, CYS349D, GLN346D, GLN347D, GLY351D, ILE14B, ILE8B, ILE9B, LYS354D, LYS6B, PHE348D, PRO16B, SER2B, THR12B, THR356D, THR4B, TYR355D, VAL13B, VAL15B, VAL350D, VAL3B, VAL5B
• B-E: ALA345B, ARG7E, ASN11E, ASN353B, ASP10E, ASP352B, CYS349B, GLN346B, GLN347B, GLY351B, ILE14E, ILE8E, ILE9E, LYS354B, LYS6E, PHE348B, PRO16E, SER2E, THR12E, THR356B, THR4E, TYR355B, VAL13E, VAL350B, VAL3E, VAL5E
• C-D: ALA20C, ALA226D, ALA229D, ALA255C, ALA255D, ALA271D, ALA296C, ALA305D, ALA313D, ALA330C, ALA335D, ALA337D, ALA342D, ALA345D, ALA368D, ALA400D, ARG179C, ARG221D, ARG252C, ARG252D, ARG309D, ARG312D, ARG314D, ARG373D, ARG387C, ARG399D, ARG7C, ASN162D, ASN168D, ASN187C, ASN21C, ASN251C, ASN251D, ASN353D, ASN386C, ASN63C, ASP10C, ASP158D, ASP180C, ASP183C, ASP188C, ASP23C, ASP244C, ASP244D, ASP256C, ASP256D, ASP269D, ASP272D, ASP320C, ASP321C, ASP343D, ASP352D, ASP358D, ASP374C, ASP384C, ASP392D, ASP421C, CYS164D, CYS225D, CYS235D, CYS349D, GLN148C, GLN163D, GLN170D, GLN260C, GLN260D, GLN266D, GLN318C, GLN346D, GLN347D, GLN371D, GLN405D, GLU169D, GLU177C, GLU209D, GLU22C, GLU243C, GLU243D, GLU253C, GLU253D, GLU257C, GLU257D, GLU267D, GLU26C, GLU323C, GLU377C, GLU383C, GLU409C, GLU419C, GLY178C, GLY186C, GLY232D, GLY239D, GLY265D, GLY282C, GLY331C, GLY339D, GLY351D, GLY372D, GLY380C, GLY406D, GLY62C, HIS203D, HIS233D, ILE14C, ILE167D, ILE181C, ILE237D, ILE249C, ILE249D, ILE268D, ILE322C, ILE66C, ILE67C, ILE8C, ILE9C, LEU160D, LEU18C, LEU228D, LEU234D, LEU250C, LEU263D, LEU307D, LEU308D, LEU327C, LEU332C, LEU333C, LEU344D, LEU364D, LEU379C, LEU379D, LEU404D, LYS165D, LYS17C, LYS206D, LYS207D, LYS236D, LYS270D, LYS286C, LYS34C, LYS354D, LYS388C, LYS398D, LYS410C, LYS414C, LYS417C, LYS422C, LYS6C, LYS86D, MET157D, MET166D, MET240D, MET258C, MET258D, MET261D, MET262C, MET262D, MET275D, MET393C, MET393D, MET394C, MET402D, PHE182C, PHE222D, PHE231D, PHE297C, PHE299C, PHE348D, PHE382C, PHE420C, PRO16C, PRO176C, PRO19C, PRO24C, PRO264D, PRO276D, PRO295C, PRO319C, PRO357D, PRO369D, PRO370D, PRO389C, SER212D, SER241C, SER241D, SER273D, SER284C, SER285C, SER2C, SER310D, SER326C, SER340D, SER341D, SER403D, SER418C, SER65C, THR12C, THR161D, THR230D, THR238D, THR242D, THR246C, THR246D, THR247C, THR247D, THR311D, THR325C, THR328C, THR329C, THR356D, THR411C, THR4C, TRP185C, TRP248C, TRP248D, TRP300C, TRP378C, TRP378D, TRP381C, TYR289D, TYR324C, TYR334C, TYR336D, TYR355D, TYR396D, TYR415C, VAL13C, VAL15C, VAL175C, VAL184C, VAL245C, VAL245D, VAL254C, VAL254D, VAL259C, VAL259D, VAL338D, VAL350D, VAL375C, VAL376C, VAL3C, VAL401D, VAL5C, VAL64C