2INN

structure of the phenol hydroxyalse-regulatory protein complex

• Total interactions analyzed: 21
• Total true interactions: 14
• Strongest Interaction:
  • Chains: C-F
  • Int. Res.: 24
  • Norm. En. per Res.: -4.5171
• Hub Node: A(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	0.0	-13.4521	-73.2193	-86.6714	71	8	6	4272	0	15	16
A-C	-196.4191	-86.8218	-1042.75	-1325.9909	308	69	12	40861	9	110	135
A-D	0.0	0.0	-79.4069	-79.4069	34	1	4	3211	0	8	5
A-F	-138.5109	-67.2096	-511.884	-717.6045	171	31	12	21202	3	45	51
A-L	-10.2402	22.4032	-29.3224	-17.1593	27	4	0	1137	0	12	8
B-C	0.0	0.0	-1.017	-1.017	3	0	0	95	0	4	4
B-D	-208.6059	-86.494	-1029.54	-1324.6399	319	79	12	41944	10	119	132
B-E	-118.9131	-55.7086	-522.51	-697.1317	167	28	10	20705	3	46	51
B-F	0.0	0.0	410.08	410.08	13	12	0	261	0	0	0
B-L	-8.6241	-5.2016	-222.076	-235.9017	126	37	8	12875	0	42	28
C-D	-33.0248	-37.6892	-112.762	-183.476	68	9	0	4689	18	41	30
C-F	-29.9476	1.8926	-80.3564	-108.4114	24	11	0	2795	0	4	5
C-L	-2.3421	-21.3213	-33.1526	-56.816	32	0	0	1394	0	22	15
D-E	-9.0679	1.7059	-79.6356	-86.9977	23	3	0	2674	0	6	5

Interface residues

• A-B: ALA214A, ALA214B, ALA215A, ALA215B, ALA221A, ALA221B, ALA66A, ALA66B, ALA74A, ALA74B, ALA78A, ALA78B, ARG428A, ASN217B, ASN286A, ASN82A, ASN82B, ASN83A, ASN83B, ASN87A, ASN87B, ASP219A, ASP219B, ASP77A, ASP77B, GLN421A, GLN81A, GLN81B, GLN86A, GLN86B, GLU423A, GLU67A, GLU67B, GLU69B, GLY218A, GLY218B, GLY84A, GLY84B, ILE422A, ILE498B, ILE75A, ILE75B, ILE88A, ILE88B, LEU72A, LEU72B, LYS68A, LYS68B, LYS70A, LYS70B, LYS71A, LYS71B, PHE227A, PHE227B, PHE2B, PHE76A, PHE76B, PHE79A, PHE79B, SER228B, SER89A, SER89B, THR222A, THR224A, THR224B, TYR216A, TYR216B, TYR73A, TYR73B, VAL223A, VAL223B
• A-C: ALA110A, ALA125A, ALA130A, ALA133C, ALA135A, ALA138C, ALA141C, ALA144C, ALA146C, ALA148A, ALA171C, ALA180C, ALA181C, ALA182A, ALA185A, ALA21C, ALA22A, ALA29C, ALA35C, ALA41C, ALA450A, ALA60A, ALA66A, ALA74A, ALA78A, ALA80A, ALA83C, ALA89C, ALA95C, ARG120A, ARG127C, ARG128A, ARG140A, ARG14C, ARG160C, ARG168A, ARG169C, ARG183A, ARG199C, ARG19A, ARG22C, ARG235A, ARG268A, ARG31C, ARG48C, ARG62C, ARG88C, ASN134C, ASN136C, ASN137C, ASN153A, ASN157A, ASN44C, ASN461A, ASN478A, ASN58C, ASN5A, ASN83A, ASN87C, ASN9A, ASP12A, ASP137A, ASP143C, ASP159C, ASP161A, ASP167A, ASP175C, ASP180A, ASP181A, ASP183C, ASP191C, ASP192C, ASP204C, ASP209C, ASP20A, ASP232A, ASP29A, ASP32A, ASP38C, ASP482A, ASP491A, ASP52C, ASP59A, ASP59C, ASP77A, CYS131A, CYS402A, CYS462A, GLN113A, GLN121A, GLN132A, GLN134A, GLN143A, GLN145A, GLN146A, GLN151C, GLN15A, GLN165C, GLN196C, GLN28A, GLN33C, GLN400A, GLN403A, GLN449A, GLN456A, GLN50C, GLN65A, GLN86A, GLN92C, GLU103C, GLU108A, GLU130C, GLU138A, GLU184C, GLU189A, GLU193C, GLU203C, GLU24A, GLU34C, GLU36A, GLU40A, GLU40C, GLU443A, GLU445A, GLU481A, GLU67A, GLU69A, GLU93C, GLU96C, GLY114A, GLY119A, GLY126A, GLY132C, GLY142C, GLY157C, GLY158A, GLY162A, GLY162C, GLY164C, GLY176C, GLY179C, GLY186A, GLY18C, GLY82C, GLY86C, HIS109A, HIS128C, HIS141A, HIS147A, HIS151A, HIS153C, HIS155A, HIS15C, HIS160A, HIS164A, HIS166A, HIS19C, HIS46C, HIS476A, HIS494A, HIS85A, ILE101A, ILE136A, ILE13C, ILE140C, ILE154C, ILE163C, ILE170C, ILE20C, ILE33A, ILE39C, ILE448A, ILE75A, LEU107A, LEU126C, LEU131C, LEU139A, LEU159A, LEU161C, LEU167C, LEU172A, LEU172C, LEU17A, LEU182C, LEU201C, LEU206C, LEU214C, LEU398A, LEU452A, LEU56A, LEU57C, LEU72A, LEU8A, LYS117A, LYS139C, LYS13A, LYS154A, LYS176A, LYS186C, LYS200C, LYS264A, LYS27C, LYS30A, LYS31A, LYS42C, LYS446A, LYS4A, LYS63A, LYS68A, LYS6A, LYS70A, LYS7A, LYS90C, LYS98A, PHE112A, PHE156A, PHE178A, PHE179A, PHE190A, PHE252C, PHE34A, PHE39A, PHE440A, PHE45C, PHE76A, PHE79A, PHE79C, PRO106A, PRO125C, PRO12C, PRO163A, PRO175A, PRO187A, PRO197C, PRO25A, PRO28C, PRO35A, PRO453A, PRO490A, PRO49C, SER105A, SER116A, SER142A, SER150A, SER150C, SER168C, SER173A, SER177A, SER177C, SER184A, SER185C, SER36C, THR144A, THR145C, THR147C, THR148C, THR156C, THR16C, THR178C, THR18A, THR205C, THR26A, THR30C, THR43C, THR56C, THR57A, TRP170A, TRP189C, TRP195C, TRP23A, TRP256C, TRP261A, TRP265A, TRP289C, TRP451A, TRP51C, TRP62A, TYR115A, TYR14A, TYR152A, TYR155C, TYR166C, TYR16A, TYR17C, TYR27A, TYR32C, TYR37C, TYR447A, TYR474A, TYR475A, TYR47C, TYR61A, TYR64A, TYR73A, TYR80C, TYR81C, TYR84C, VAL118A, VAL129A, VAL129C, VAL149C, VAL169A, VAL174A, VAL202C, VAL207C, VAL208C, VAL401A, VAL85C
• A-D: ALA214A, ALA215A, ALA229A, ASN204A, ASN217A, ASN286A, ASN8D, GLN230A, GLU233A, GLY213A, GLY218A, GLY226A, ILE5D, LYS287A, LYS63A, LYS6D, LYS90D, PHE207A, PHE210A, PHE225A, PHE227A, PRO209A, SER212A, SER228A, SER9D, THR222A, THR224A, THR7D, TYR216A, TYR298A, VAL208A, VAL223A, VAL288A, VAL297A
• A-F: ALA115F, ALA117F, ALA185A, ALA38F, ALA413A, ALA41F, ALA450A, ALA5F, ALA61F, ALA63F, ALA64F, ARG260A, ARG374A, ARG376A, ARG388A, ARG420A, ARG428A, ASN116F, ASN19F, ASN392A, ASN393A, ASN461A, ASN4F, ASN81F, ASP15F, ASP32F, ASP370A, ASP38A, ASP438A, ASP67F, ASP82F, ASP8F, ASP99F, CYS37F, CYS432A, GLN121A, GLN24F, GLN334A, GLN341A, GLN397A, GLN400A, GLN421A, GLN449A, GLN456A, GLN459A, GLU12F, GLU189A, GLU18F, GLU36A, GLU378A, GLU37A, GLU383A, GLU40A, GLU410A, GLU423A, GLU425A, GLU427A, GLU443A, GLU445A, GLU83F, GLY118F, GLY186A, GLY41A, GLY426A, GLY460A, GLY465A, GLY97F, HIS100F, HIS21F, HIS33F, HIS419A, HIS424A, HIS430A, HIS442A, HIS455A, HIS65F, ILE257A, ILE404A, ILE407A, ILE422A, ILE439A, ILE448A, ILE457A, ILE57F, ILE98F, LEU104F, LEU25F, LEU26F, LEU335A, LEU34F, LEU35F, LEU380A, LEU395A, LEU398A, LEU417A, LEU42F, LEU43F, LEU452A, LEU58F, LEU6F, LEU80F, LYS101F, LYS10F, LYS112F, LYS117A, LYS14F, LYS16F, LYS264A, LYS371A, LYS382A, LYS441A, LYS446A, PHE11F, PHE20F, PHE339A, PHE36F, PHE390A, PHE39A, PHE408A, PHE40F, PHE440A, PRO13F, PRO187A, PRO31F, PRO35A, PRO375A, PRO396A, PRO39F, PRO405A, PRO414A, PRO444A, PRO60F, PRO66F, SER102F, SER184A, SER2F, SER418A, THR105F, THR337A, THR338A, THR368A, THR394A, THR406A, THR409A, THR415A, THR62F, TRP170A, TRP261A, TRP30F, TRP336A, TRP451A, TYR119F, TYR27F, TYR29F, TYR340A, TYR342A, TYR372A, TYR373A, TYR377A, TYR379A, TYR391A, TYR429A, TYR447A, TYR458A, TYR7F, TYR9F, VAL17F, VAL28F, VAL3F, VAL44F, VAL454A
• A-L: ALA36L, ALA74A, ALA78A, ALA80A, ARG16L, ASN12L, ASN69L, ASN82A, ASN83A, ASP11L, ASP13L, ASP14L, ASP77A, GLN10L, GLN34L, GLN81A, HIS147A, ILE38L, ILE71L, LYS154A, PHE76A, PHE9L, PRO35L, SER150A, SER15L, TYR73A, VAL8L
• B-C: LYS63B, LYS90C, TYR64B
• B-D: ALA110B, ALA125B, ALA130B, ALA133D, ALA135B, ALA138D, ALA141D, ALA144D, ALA146D, ALA148B, ALA171D, ALA180D, ALA181D, ALA182B, ALA185B, ALA21D, ALA22B, ALA29D, ALA35D, ALA41D, ALA450B, ALA60B, ALA66B, ALA74B, ALA78B, ALA80B, ALA83D, ALA89D, ALA95D, ARG120B, ARG127D, ARG128B, ARG140B, ARG14D, ARG160D, ARG168B, ARG169D, ARG183B, ARG199D, ARG19B, ARG22D, ARG235B, ARG268B, ARG31D, ARG48D, ARG62D, ARG88D, ASN134D, ASN136D, ASN137D, ASN153B, ASN157B, ASN44D, ASN461B, ASN478B, ASN58D, ASN82B, ASN83B, ASN87D, ASN8D, ASN9B, ASP12B, ASP137B, ASP143D, ASP159D, ASP161B, ASP167B, ASP175D, ASP180B, ASP181B, ASP183D, ASP191D, ASP192D, ASP204D, ASP209D, ASP20B, ASP232B, ASP29B, ASP32B, ASP38D, ASP482B, ASP491B, ASP52D, ASP59B, ASP59D, ASP77B, CYS131B, CYS402B, CYS462B, GLN113B, GLN121B, GLN132B, GLN134B, GLN143B, GLN145B, GLN146B, GLN151D, GLN15B, GLN165D, GLN196D, GLN28B, GLN33D, GLN400B, GLN403B, GLN449B, GLN456B, GLN50D, GLN65B, GLN81B, GLN86B, GLN92D, GLU103D, GLU108B, GLU11D, GLU130D, GLU138B, GLU184D, GLU189B, GLU193D, GLU203D, GLU24B, GLU34D, GLU36B, GLU40B, GLU40D, GLU443B, GLU445B, GLU481B, GLU67B, GLU69B, GLU93D, GLU96D, GLY114B, GLY119B, GLY126B, GLY132D, GLY142D, GLY157D, GLY158B, GLY162B, GLY162D, GLY164D, GLY176D, GLY179D, GLY186B, GLY18D, GLY82D, GLY84B, GLY86D, HIS109B, HIS128D, HIS141B, HIS147B, HIS151B, HIS153D, HIS155B, HIS15D, HIS160B, HIS164B, HIS166B, HIS19D, HIS46D, HIS476B, HIS494B, HIS85B, ILE101B, ILE136B, ILE13D, ILE140D, ILE154D, ILE163D, ILE170D, ILE20D, ILE33B, ILE39D, ILE439B, ILE448B, ILE498B, ILE5D, ILE75B, LEU107B, LEU10B, LEU126D, LEU131D, LEU139B, LEU159B, LEU161D, LEU167D, LEU172B, LEU172D, LEU17B, LEU182D, LEU201D, LEU206D, LEU214D, LEU398B, LEU452B, LEU56B, LEU57D, LEU72B, LEU8B, LYS117B, LYS139D, LYS13B, LYS154B, LYS176B, LYS186D, LYS200D, LYS264B, LYS27D, LYS30B, LYS31B, LYS42D, LYS446B, LYS63B, LYS68B, LYS6B, LYS6D, LYS70B, LYS7B, LYS90D, LYS98B, PHE112B, PHE156B, PHE178B, PHE179B, PHE190B, PHE252D, PHE34B, PHE39B, PHE440B, PHE45D, PHE76B, PHE79B, PHE79D, PRO106B, PRO125D, PRO12D, PRO163B, PRO175B, PRO187B, PRO197D, PRO25B, PRO28D, PRO35B, PRO444B, PRO453B, PRO490B, PRO49D, SER105B, SER116B, SER142B, SER150B, SER150D, SER168D, SER173B, SER177B, SER177D, SER184B, SER185D, SER36D, SER9D, THR144B, THR145D, THR147D, THR148D, THR156D, THR16D, THR178D, THR18B, THR205D, THR26B, THR30D, THR43D, THR56D, THR57B, THR7D, TRP170B, TRP189D, TRP195D, TRP23B, TRP256D, TRP265B, TRP289D, TRP451B, TRP51D, TRP62B, TYR115B, TYR14B, TYR152B, TYR155D, TYR166D, TYR16B, TYR17D, TYR27B, TYR32D, TYR37D, TYR447B, TYR474B, TYR475B, TYR47D, TYR61B, TYR64B, TYR73B, TYR80D, TYR81D, TYR84D, VAL10D, VAL118B, VAL129B, VAL129D, VAL149D, VAL169B, VAL174B, VAL202D, VAL207D, VAL208D, VAL401B, VAL85D
• B-E: ALA115E, ALA117E, ALA185B, ALA38E, ALA413B, ALA41E, ALA450B, ALA5E, ALA61E, ALA63E, ALA64E, ARG260B, ARG374B, ARG376B, ARG388B, ARG420B, ARG428B, ASN116E, ASN19E, ASN392B, ASN393B, ASN461B, ASN4E, ASN81E, ASP15E, ASP32E, ASP370B, ASP38B, ASP67E, ASP82E, ASP8E, ASP99E, CYS37E, CYS432B, GLN121B, GLN24E, GLN334B, GLN341B, GLN397B, GLN400B, GLN421B, GLN449B, GLN456B, GLN459B, GLU12E, GLU189B, GLU18E, GLU36B, GLU378B, GLU37B, GLU383B, GLU40B, GLU423B, GLU425B, GLU427B, GLU443B, GLU445B, GLU83E, GLY118E, GLY186B, GLY41B, GLY426B, GLY460B, GLY97E, HIS100E, HIS21E, HIS33E, HIS419B, HIS424B, HIS430B, HIS442B, HIS455B, HIS65E, ILE257B, ILE404B, ILE407B, ILE422B, ILE42B, ILE439B, ILE448B, ILE457B, ILE57E, ILE98E, LEU104E, LEU25E, LEU26E, LEU335B, LEU34E, LEU35E, LEU380B, LEU395B, LEU398B, LEU417B, LEU42E, LEU43E, LEU452B, LEU58E, LEU6E, LEU80E, LYS101E, LYS10E, LYS112E, LYS14E, LYS16E, LYS264B, LYS371B, LYS441B, LYS446B, LYS94E, PHE11E, PHE20E, PHE339B, PHE36E, PHE390B, PHE39B, PHE408B, PHE40E, PHE431B, PHE440B, PRO13E, PRO187B, PRO31E, PRO35B, PRO375B, PRO396B, PRO39E, PRO405B, PRO414B, PRO444B, PRO60E, PRO66E, SER102E, SER184B, SER2E, SER418B, THR105E, THR337B, THR338B, THR394B, THR406B, THR409B, THR415B, THR62E, TRP170B, TRP261B, TRP30E, TRP451B, TYR119E, TYR27E, TYR29E, TYR340B, TYR342B, TYR372B, TYR373B, TYR377B, TYR379B, TYR391B, TYR429B, TYR447B, TYR458B, TYR7E, TYR9E, VAL17E, VAL28E, VAL3E, VAL44E, VAL454B
• B-F: ALA71F, ASN81F, ASP82F, GLU83F, GLY110F, LEU111F, LEU80F, LYS112F, LYS70F, PHE2B, PHE5B, PRO109F, THR108F
• B-L: ALA214B, ALA215B, ALA229B, ALA234B, ALA305B, ALA36L, ALA60B, ALA66B, ALA74L, ARG140B, ARG235B, ARG312B, ARG39L, ARG50L, ARG55B, ASN12L, ASN204B, ASN217B, ASN302B, ASN69L, ASN76L, ASN89L, ASN9B, ASP11L, ASP14L, ASP232B, ASP309B, ASP52B, ASP59B, ASP62L, ASP78L, ASP80L, ASP81L, ASP82L, GLN10L, GLN230B, GLN301B, GLN32L, GLN34L, GLN3L, GLN41L, GLN64L, GLN65B, GLU233B, GLU242B, GLU293B, GLU51B, GLU65L, GLU67B, GLU69B, GLU79L, GLU87L, GLY213B, GLY226B, GLY303B, GLY304B, GLY75L, HIS236B, HIS33L, HIS83L, ILE244B, ILE38L, ILE68L, ILE71L, ILE73L, ILE75B, ILE7L, LEU10B, LEU205B, LEU239B, LEU241B, LEU306B, LEU310B, LEU4L, LEU56B, LEU67L, LEU72B, LEU86L, LYS11B, LYS13B, LYS245B, LYS308B, LYS44L, LYS63B, LYS68B, LYS70B, LYS71B, PHE196B, PHE207B, PHE210B, PHE225B, PHE227B, PHE307B, PHE54B, PHE6L, PHE84L, PHE9L, PRO209B, PRO35L, PRO53B, SER212B, SER228B, SER231B, SER72L, THR203B, THR224B, THR238B, THR57B, TRP88L, TYR14B, TYR200B, TYR216B, TYR298B, TYR313B, TYR61B, TYR64B, VAL201B, VAL208B, VAL223B, VAL288B, VAL297B, VAL5L, VAL63L, VAL70L, VAL77L, VAL8L
• C-D: ALA243C, ALA243D, ALA89D, ALA95C, ALA95D, ARG105C, ARG105D, ARG110C, ARG110D, ARG254C, ARG254D, ASN106C, ASN106D, ASP232C, ASP232D, ASP235C, ASP235D, ASP245C, ASP245D, ASP255C, ASP255D, GLN236C, GLN236D, GLN92C, GLN92D, GLU239C, GLU239D, GLU244C, GLU244D, GLU251C, GLU251D, GLU93C, GLU93D, GLU96C, GLU96D, GLY100C, GLY100D, LEU107C, LEU107D, LEU249C, LEU249D, LYS104C, LYS104D, LYS258C, LYS90C, LYS90D, PHE101C, PHE101D, PHE238C, PHE238D, PHE99C, PHE99D, SER247C, SER247D, SER94C, SER94D, SER98C, SER98D, THR250C, THR250D, THR97C, THR97D, TRP237C, TRP237D, TYR231C, TYR231D, VAL246C, VAL246D
• C-F: ALA5F, ARG48C, ASN44C, ASN4F, ASP52C, ASP8F, GLN50C, GLU54C, HIS46C, HIS55C, LEU57C, LEU6F, LYS10F, LYS14F, PHE11F, PHE45C, PRO49C, SER53C, THR56C, TRP51C, TYR47C, TYR7F, TYR9F, VAL3F
• C-L: ALA29C, ALA83C, ARG16L, ARG262C, ARG31C, ARG59L, ARG77C, ASN12L, ASN87C, ASP13L, ASP14L, ASP60L, ASP75C, GLN33C, GLN78C, GLU20L, GLU34C, GLU54L, GLY58L, HIS15C, LEU57L, LYS258C, LYS27C, LYS56L, PHE79C, PRO28C, PRO76C, THR16C, THR30C, TYR17L, TYR32C, TYR80C
• D-E: ALA5E, ARG48D, ASN44D, ASN4E, ASP52D, ASP8E, GLN50D, GLU54D, HIS46D, HIS55D, LEU6E, LYS10E, LYS14E, PHE11E, PHE45D, PRO49D, SER53D, THR56D, TRP51D, TYR47D, TYR7E, TYR9E, VAL3E