2BGC

prfa-g145s, a constitutive active mutant of the transcriptional regulator in l.monocytogenes

• Total interactions analyzed: 28
• Total true interactions: 19
• Strongest Interaction:
  • Chains: F-G
  • Int. Res.: 191
  • Norm. En. per Res.: -3.1125
• Hub Node: A(4)

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	-32.8925	-5.8394	-521.374	-560.1059	193	21	14	23069	0	15	13
A-D	-6.2342	-23.9992	-24.7791	-55.0125	22	0	0	1150	1	8	11
A-H	0.0	-0.8968	-1.6864	-2.5832	21	0	0	313	0	8	4
A-I	0.0	-7.6615	-30.4232	-38.0847	30	1	0	1087	0	6	1
B-D	-13.6222	-25.9592	-83.4669	-123.0484	45	2	0	3325	1	14	3
B-E	-2.7615	2.9977	-60.2191	-59.9828	32	0	0	2289	0	11	10
B-I	-18.6842	-15.4188	-88.0078	-122.1108	46	6	0	3563	0	16	13
D-E	-28.73	-2.5534	-490.042	-521.3254	187	26	14	22620	0	16	13
D-F	-6.0255	-0.9933	-4.5267	-11.5455	25	0	0	409	0	7	4
D-H	0.0	0.0	-0.1091	-0.1091	3	0	0	22	0	0	0
E-F	0.0	-6.0042	-29.6703	-35.6745	27	0	0	1021	0	6	1
E-G	0.0	-11.5581	-87.8347	-99.3928	48	4	0	3736	0	16	14
E-H	0.0	0.0	-0.0032	-0.0032	2	0	0	2	0	1	0
E-I	0.0	0.0	-0.0005	-0.0005	2	0	0	1	0	6	3
F-G	-48.2621	-10.9075	-535.326	-594.4955	191	23	14	23817	1	15	14
F-H	0.0	-10.4253	-28.4733	-38.8986	26	1	0	1163	0	8	13
G-H	-9.0976	-26.7288	-92.3296	-128.156	44	2	0	3514	2	13	3
G-I	-4.5678	1.4713	-60.9355	-64.0319	32	1	0	2232	0	11	10
H-I	-13.5185	-0.9504	-482.543	-497.0119	186	40	15	22648	0	16	11

Interface residues

• A-B: ALA129A, ALA129B, ALA181A, ALA181B, ALA228A, ALA228B, ASN109A, ASN109B, ASN132A, ASN132B, ASN137A, ASN137B, ASN54A, ASN54B, ASN59A, ASN59B, ASN84A, ASN84B, ASP133A, ASP133B, ASP75A, ASP75B, CYS38A, CYS38B, GLN118A, GLN118B, GLN121A, GLN121B, GLN123A, GLN123B, GLN146A, GLN146B, GLN31A, GLN31B, GLN4A, GLN4B, GLN61A, GLN61B, GLU104A, GLU104B, GLU223A, GLU223B, GLU36A, GLU36B, GLU53A, GLU53B, GLU77A, GLU77B, GLY138A, GLY138B, GLY175A, GLY175B, GLY179A, GLY179B, GLY72A, GLY72B, GLY81A, GLY81B, HIS112A, HIS112B, ILE136A, ILE136B, ILE149B, ILE180A, ILE180B, ILE51A, ILE51B, ILE57A, ILE57B, ILE69A, ILE69B, ILE74A, ILE74B, ILE99A, ILE99B, LEU102A, LEU102B, LEU105A, LEU105B, LEU106A, LEU106B, LEU110A, LEU110B, LEU120A, LEU120B, LEU128A, LEU128B, LEU221A, LEU221B, LEU227A, LEU227B, LEU48A, LEU48B, LEU60A, LEU60B, LYS103A, LYS103B, LYS108A, LYS108B, LYS122A, LYS122B, LYS130A, LYS130B, LYS139A, LYS139B, LYS220A, LYS220B, MET58A, MET58B, MET70A, MET70B, PHE113A, PHE113B, PHE114A, PHE114B, PHE117A, PHE117B, PHE131A, PHE131B, PHE134A, PHE134B, PHE67A, PHE67B, PHE73A, PHE73B, PRO219A, PRO219B, PRO230A, PRO230B, PRO34B, SER107A, SER107B, SER125A, SER125B, SER127A, SER127B, SER135A, SER135B, SER142A, SER142B, SER145A, SER145B, SER177A, SER177B, SER178A, SER178B, SER1B, SER50A, SER50B, SER52A, SER52B, SER71A, SER71B, SER79A, SER79B, THR111A, THR111B, THR119A, THR119B, THR49A, THR49B, THR56A, THR56B, THR76A, THR76B, THR78A, THR78B, TRP224A, TRP224B, TYR115A, TYR115B, TYR126A, TYR126B, TYR176A, TYR176B, TYR226A, TYR226B, TYR37A, TYR37B, TYR63A, TYR63B, TYR82A, TYR82B, TYR83A, TYR83B, VAL116A, VAL116B, VAL124A, VAL124B, VAL68A, VAL68B, VAL80A, VAL80B
• A-D: ALA185A, ARG188A, ASN30D, GLN195A, GLN21D, GLU26D, GLU86D, HIS182A, HIS23D, ILE28D, ILE51D, ILE57D, LEU27D, LYS192A, LYS20D, LYS24D, LYS25D, PHE22D, SER183A, SER184A, SER191A, VAL87D
• A-H: ARG188H, ASN137H, ASN30A, ASN54A, GLN195H, GLU196H, GLU53A, GLU86A, GLY138H, GLY55A, ILE136H, ILE189H, ILE51A, ILE57A, LEU140H, LEU27A, LYS192H, LYS25A, PRO34A, TRP32A, TYR217H
• A-I: ALA181I, ALA185I, ARG188I, ASN30A, ASN54I, ASP33A, GLN31A, GLN35A, GLU36A, GLU53A, GLU53I, GLY138I, GLY55I, GLY81A, HIS182I, ILE180I, ILE189I, ILE57I, LEU140I, LYS139I, PRO34A, SER183I, SER184I, SER52I, SER79A, THR56I, TRP32A, TYR37A, TYR82A, TYR83A
• B-D: ALA185B, ARG188B, ARG216B, ASN137B, ASN30D, ASN54D, ASP33D, GLN195B, GLN31D, GLN35D, GLU196B, GLU36D, GLU53D, GLY138B, GLY141B, GLY55D, GLY72D, GLY81D, HIS182B, ILE180B, ILE189B, ILE190B, ILE51D, LEU140B, LEU193B, LYS139B, LYS192B, LYS194B, PHE29D, PRO34D, SER183B, SER184B, SER187B, SER191B, SER52D, SER71D, SER79D, THR78D, TRP32D, TYR213B, TYR217B, TYR82D, TYR83D, VAL186B, VAL80D
• B-E: ALA218E, ARG188B, ASN237E, ASP212E, ASP222E, GLN195B, GLU196B, GLU223E, GLY234E, ILE190B, ILE199B, LEU148E, LEU193B, LEU211E, LEU221E, LEU227E, LEU236E, LYS192B, LYS194B, LYS197B, LYS215E, LYS220E, PHE225E, PRO219E, SER187B, SER191B, TRP224E, TRP233E, TYR152E, TYR226E, VAL198B, VAL200B
• B-I: ALA185I, ALA218B, ARG188I, ARG216B, ASN210B, ASN237B, ASP212B, ASP222B, GLN172I, GLN195I, GLN209B, GLU196I, GLU223B, GLY234B, HIS182I, ILE189I, ILE190I, LEU148B, LEU193I, LEU211B, LEU214B, LEU221B, LEU227B, LEU236B, LYS192I, LYS194I, LYS197B, LYS215B, LYS220B, MET171I, PRO219B, SER183I, SER184I, SER187I, SER191I, THR170I, TRP224B, TRP233B, TYR152B, TYR201I, TYR213B, TYR217B, TYR226B, VAL186I, VAL198B, VAL208B
• D-E: ALA129D, ALA129E, ALA181E, ALA228D, ALA228E, ALA3D, ASN109D, ASN109E, ASN132D, ASN132E, ASN137D, ASN137E, ASN54D, ASN54E, ASN59D, ASN59E, ASN84D, ASN84E, ASP133D, ASP133E, ASP75D, ASP75E, CYS38D, CYS38E, GLN118D, GLN118E, GLN121D, GLN121E, GLN123D, GLN123E, GLN146D, GLN146E, GLN31D, GLN31E, GLN4D, GLN4E, GLN61D, GLN61E, GLU104D, GLU104E, GLU223D, GLU223E, GLU36D, GLU36E, GLU53D, GLU53E, GLU77D, GLU77E, GLY138D, GLY138E, GLY175D, GLY175E, GLY179E, GLY72D, GLY72E, GLY81D, GLY81E, HIS112D, HIS112E, ILE136D, ILE136E, ILE149D, ILE149E, ILE180E, ILE51D, ILE51E, ILE57D, ILE57E, ILE69D, ILE69E, ILE74D, ILE74E, ILE99D, ILE99E, LEU102D, LEU102E, LEU105D, LEU105E, LEU106D, LEU106E, LEU110D, LEU110E, LEU120D, LEU120E, LEU128D, LEU128E, LEU221D, LEU221E, LEU227D, LEU227E, LEU48D, LEU48E, LEU60D, LEU60E, LYS103D, LYS103E, LYS108D, LYS108E, LYS122D, LYS122E, LYS130D, LYS130E, LYS139D, LYS139E, LYS220D, LYS220E, MET58D, MET58E, MET70D, MET70E, PHE113D, PHE113E, PHE114D, PHE114E, PHE117D, PHE117E, PHE131D, PHE131E, PHE134D, PHE134E, PHE67D, PHE67E, PHE73D, PHE73E, PRO219D, PRO219E, PRO230D, PRO230E, SER107D, SER107E, SER125D, SER125E, SER127D, SER127E, SER135D, SER135E, SER142D, SER142E, SER145D, SER145E, SER177E, SER178E, SER50D, SER50E, SER52D, SER52E, SER71D, SER71E, SER79D, SER79E, THR111D, THR111E, THR119D, THR119E, THR49D, THR49E, THR56D, THR56E, THR76D, THR76E, THR78D, THR78E, TRP224D, TRP224E, TYR115D, TYR115E, TYR126D, TYR126E, TYR176E, TYR226D, TYR226E, TYR37D, TYR37E, TYR63D, TYR63E, TYR82D, TYR82E, TYR83D, TYR83E, VAL116D, VAL116E, VAL124D, VAL124E, VAL68D, VAL68E, VAL80D, VAL80E
• D-F: ARG216D, ASN137D, ASN30F, ASN54F, GLN195D, GLU196D, GLU53F, GLU86F, GLY138D, GLY55F, ILE136D, ILE189D, ILE51F, ILE57F, LEU140D, LEU27F, LYS139D, LYS192D, LYS25F, SER187D, SER52F, THR56F, TRP32F, TYR217D, VAL186D
• D-H: ALA185H, SER184D, SER184H
• E-F: ALA181E, ALA185E, ARG188E, ASN30F, ASN54E, ASP33F, GLN172E, GLN31F, GLN35F, GLU53E, GLU53F, GLY138E, GLY55E, GLY81F, HIS182E, ILE189E, ILE57E, LYS139E, PRO34F, SER183E, SER184E, SER52E, SER79F, THR56E, TRP32F, TYR82F, TYR83F
• E-G: ALA185E, ALA218G, ARG188E, ARG216G, ASN210G, ASN237G, ASP212G, ASP222G, GLN172E, GLN195E, GLN209G, GLU196E, GLU223G, GLY234G, HIS182E, ILE162G, ILE189E, ILE190E, LEU148G, LEU193E, LEU211G, LEU214G, LEU221G, LEU227G, LEU236G, LYS192E, LYS194E, LYS197G, LYS215G, LYS220G, MET171E, PHE225G, PRO219G, SER183E, SER184E, SER187E, SER191E, THR170E, TRP224G, TRP233G, TYR152G, TYR201E, TYR213G, TYR217G, TYR226G, VAL186E, VAL198G, VAL208G
• E-H: GLU53H, LYS192E
• E-I: ARG216E, ARG216I
• F-G: ALA129F, ALA129G, ALA181F, ALA181G, ALA228F, ALA228G, ARG216F, ASN109F, ASN109G, ASN132F, ASN132G, ASN137F, ASN137G, ASN54F, ASN54G, ASN59F, ASN59G, ASN84F, ASN84G, ASP133F, ASP133G, ASP75F, ASP75G, CYS38F, CYS38G, GLN118F, GLN118G, GLN121F, GLN121G, GLN123F, GLN123G, GLN146F, GLN146G, GLN31F, GLN31G, GLN4F, GLN4G, GLN61F, GLN61G, GLU104F, GLU104G, GLU223F, GLU223G, GLU36F, GLU53F, GLU53G, GLU77F, GLU77G, GLY138F, GLY138G, GLY175F, GLY175G, GLY179F, GLY179G, GLY72F, GLY72G, GLY81F, GLY81G, HIS112F, HIS112G, ILE136F, ILE136G, ILE149G, ILE180F, ILE180G, ILE51F, ILE51G, ILE57F, ILE57G, ILE69F, ILE69G, ILE74F, ILE74G, ILE99F, ILE99G, LEU102F, LEU102G, LEU105F, LEU105G, LEU106F, LEU106G, LEU110F, LEU110G, LEU120F, LEU120G, LEU128F, LEU128G, LEU221F, LEU221G, LEU227F, LEU227G, LEU48F, LEU48G, LEU60F, LEU60G, LYS103F, LYS103G, LYS108F, LYS108G, LYS122F, LYS122G, LYS130F, LYS130G, LYS139F, LYS139G, LYS220F, LYS220G, MET58F, MET58G, MET70F, MET70G, PHE113F, PHE113G, PHE114F, PHE114G, PHE117F, PHE117G, PHE131F, PHE131G, PHE134F, PHE134G, PHE67F, PHE67G, PHE73F, PHE73G, PRO219F, PRO219G, PRO230F, PRO230G, PRO34G, SER107F, SER107G, SER125F, SER125G, SER127F, SER127G, SER135F, SER135G, SER142F, SER142G, SER145F, SER177F, SER177G, SER178F, SER178G, SER50F, SER50G, SER52F, SER52G, SER71F, SER71G, SER79F, SER79G, THR111F, THR111G, THR119F, THR119G, THR49F, THR49G, THR56F, THR56G, THR76F, THR76G, THR78F, THR78G, TRP224F, TRP224G, TYR115F, TYR115G, TYR126F, TYR126G, TYR176F, TYR176G, TYR226F, TYR226G, TYR37F, TYR37G, TYR63F, TYR63G, TYR82F, TYR82G, TYR83F, TYR83G, VAL116F, VAL116G, VAL124F, VAL124G, VAL68F, VAL68G, VAL80F, VAL80G
• F-H: ALA185F, ARG188F, ASN30H, ASN54F, ASN54H, GLU26H, GLU86H, GLY55H, HIS182F, HIS23H, ILE189F, ILE28H, ILE51H, ILE57H, LEU27H, LYS192F, LYS20H, LYS24H, LYS25H, PHE22H, PHE29H, SER183F, SER184F, SER187F, SER191F, VAL87H
• G-H: ALA185G, ARG188G, ARG216G, ASN137G, ASN30H, ASN54H, ASP33H, GLN195G, GLN31H, GLN35H, GLU196G, GLU36H, GLU53H, GLY138G, GLY141G, GLY55H, GLY81H, HIS182G, ILE180G, ILE189G, ILE190G, ILE51H, LEU140G, LEU193G, LYS139G, LYS192G, PHE29H, PRO34H, SER183G, SER184G, SER187G, SER191G, SER52H, SER71H, SER79H, THR78H, TRP32H, TYR213G, TYR217G, TYR82H, TYR83H, VAL186G, VAL198G, VAL80H
• G-I: ALA218I, ARG188G, ASN237I, ASP212I, ASP222I, GLN195G, GLU196G, GLU223I, GLY234I, ILE190G, ILE199G, LEU148I, LEU193G, LEU211I, LEU221I, LEU227I, LEU236I, LYS192G, LYS194G, LYS197G, LYS215I, LYS220I, PHE225I, PRO219I, SER187G, SER191G, TRP224I, TRP233I, TYR152I, TYR226I, VAL198G, VAL200G
• H-I: ALA129H, ALA129I, ALA181I, ALA228H, ALA228I, ALA3H, ASN109H, ASN109I, ASN132H, ASN132I, ASN137H, ASN137I, ASN2I, ASN54H, ASN54I, ASN59H, ASN59I, ASN84H, ASN84I, ASP133H, ASP133I, ASP75H, ASP75I, CYS38H, CYS38I, GLN118H, GLN118I, GLN121H, GLN121I, GLN123H, GLN123I, GLN146H, GLN146I, GLN31H, GLN31I, GLN4H, GLN4I, GLN61H, GLN61I, GLU104H, GLU104I, GLU223H, GLU223I, GLU36I, GLU53H, GLU53I, GLU77H, GLU77I, GLY138H, GLY138I, GLY175I, GLY179I, GLY72H, GLY72I, GLY81H, GLY81I, HIS112H, HIS112I, ILE136H, ILE136I, ILE149H, ILE149I, ILE180I, ILE51H, ILE51I, ILE57H, ILE57I, ILE69H, ILE69I, ILE74H, ILE74I, ILE99H, ILE99I, LEU102H, LEU102I, LEU105H, LEU105I, LEU106H, LEU106I, LEU110H, LEU110I, LEU120H, LEU120I, LEU128H, LEU128I, LEU174H, LEU221H, LEU227H, LEU227I, LEU48H, LEU48I, LEU60H, LEU60I, LYS103H, LYS103I, LYS108H, LYS108I, LYS122H, LYS122I, LYS130H, LYS130I, LYS139H, LYS139I, LYS220H, LYS220I, MET58H, MET58I, MET70H, MET70I, PHE113H, PHE113I, PHE114H, PHE114I, PHE117H, PHE117I, PHE131H, PHE131I, PHE134H, PHE134I, PHE29I, PHE67H, PHE67I, PHE73H, PHE73I, PRO219H, PRO219I, PRO230H, PRO230I, SER107H, SER107I, SER125H, SER125I, SER127H, SER127I, SER135H, SER135I, SER142H, SER142I, SER145H, SER145I, SER177I, SER178I, SER50H, SER50I, SER52H, SER52I, SER71H, SER71I, SER79H, SER79I, THR111H, THR111I, THR119H, THR119I, THR49H, THR49I, THR56H, THR56I, THR76H, THR76I, THR78H, THR78I, TRP224H, TRP224I, TYR115H, TYR115I, TYR126H, TYR126I, TYR176I, TYR226I, TYR37H, TYR37I, TYR63H, TYR63I, TYR82H, TYR82I, TYR83H, TYR83I, VAL116H, VAL116I, VAL124H, VAL124I, VAL68H, VAL68I, VAL80H, VAL80I