3S2W

the crystal structure of a marr transcriptional regulator from methanosarcina mazei go1

• Total interactions analyzed: 28
• Total true interactions: 11
• Strongest Interaction:
  • Chains: C-D
  • Int. Res.: 153
  • Norm. En. per Res.: -3.8107
• 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	-15.9793	4.7861	-571.908	-583.1012	159	31	23	25691	3	74	63
A-D	0.0	8.0224	-6.9905	1.0319	18	0	0	456	0	11	8
A-F	0.0	0.0	-44.8827	-44.8827	26	7	0	1771	0	14	12
B-D	0.0	0.0	-0.0178	-0.0178	2	0	0	12	0	2	0
B-F	0.0	16.0864	-6.5874	9.499	14	3	0	683	1	13	6
C-D	-11.1779	22.0174	-593.881	-583.0415	153	37	24	26414	3	67	63
E-F	-11.5562	19.3381	-573.461	-565.6791	152	33	25	25553	2	64	61
E-G	0.0	6.6168	-0.1698	6.447	3	0	0	30	0	6	3
E-H	0.0	0.0	-1.5438	-1.5438	14	0	0	223	0	11	8
F-H	-8.0181	45.4932	-96.8099	-59.3348	49	5	1	4537	1	30	38
G-H	-23.357	25.1621	-502.589	-500.7839	147	38	21	24629	4	57	52

Interface residues

• A-B: ALA122A, ALA122B, ALA12A, ALA24A, ALA24B, ARG136A, ARG136B, ARG138A, ARG138B, ARG139A, ARG139B, ARG30A, ARG30B, ARG55A, ARG55B, ARG58A, ARG58B, ASN143A, ASN143B, ASN151A, ASN151B, ASP135A, ASP135B, ASP17A, ASP17B, ASP69A, ASP69B, ASP74A, ASP74B, CYS16A, CYS16B, GLN137A, GLN137B, GLN33A, GLN33B, GLU115A, GLU115B, GLU124A, GLU124B, GLU127A, GLU127B, GLU13A, GLU140A, GLU140B, GLU146A, GLU146B, GLU150A, GLU150B, GLU19A, GLU19B, GLY126A, GLY126B, GLY14A, GLY152A, GLY152B, GLY22A, GLY22B, GLY32A, GLY32B, GLY48A, GLY48B, HIS11A, ILE121A, ILE121B, ILE128A, ILE128B, ILE141A, ILE141B, ILE147A, ILE147B, ILE155A, ILE155B, ILE21A, ILE21B, ILE25A, ILE25B, ILE34A, ILE34B, ILE36A, ILE36B, ILE73A, ILE73B, LEU129A, LEU129B, LEU145A, LEU145B, LEU153A, LEU153B, LEU15A, LEU15B, LEU28A, LEU28B, LEU67A, LEU67B, LEU71A, LEU71B, LYS119A, LYS119B, LYS120A, LYS120B, LYS154A, LYS154B, LYS18A, LYS18B, LYS23A, LYS23B, LYS38A, LYS38B, LYS39A, LYS39B, LYS72A, LYS72B, PHE130A, PHE130B, PHE133A, PHE133B, PHE149A, PHE149B, PHE20A, PHE20B, PHE50A, PHE50B, PHE52A, PHE52B, PRO116A, PRO51A, PRO51B, SER123A, SER123B, SER131A, SER131B, SER132A, SER132B, SER144A, SER144B, SER26A, SER26B, SER47A, SER47B, SER68A, SER68B, THR142A, THR142B, THR77A, THR77B, TRP125A, TRP125B, TYR27A, TYR27B, TYR29A, TYR29B, TYR31A, TYR31B, TYR35A, TYR35B, TYR57A, TYR57B, TYR70A, TYR70B
• A-D: ARG101D, ARG95D, ASP87A, ASP96D, GLN49A, GLN94D, GLU41A, GLU88A, GLU97D, GLY44A, GLY46A, GLY89A, ILE45A, LYS110A, LYS84A, PRO42A, TYR43A, VAL86A
• A-F: ARG136A, ARG138A, ARG93F, ARG95F, ASP134A, ASP135A, ASP60F, GLN137A, GLN94F, GLU109F, GLU127A, GLY111F, ILE128A, LEU107F, LYS110F, LYS112F, LYS113F, PHE106F, PHE130A, PHE133A, PHE92F, SER131A, SER132A, THR108F, TYR90F, VAL91F
• B-D: GLN83D, LYS75B
• B-F: ASN143B, ASN151B, GLU109F, GLU115F, GLU146B, GLU150B, ILE147B, ILE155B, LYS110F, LYS112F, LYS113F, LYS154B, SER144B, THR108F
• C-D: ALA122C, ALA122D, ALA24C, ALA24D, ARG136D, ARG138C, ARG138D, ARG139C, ARG139D, ARG30C, ARG30D, ARG55C, ARG55D, ARG58C, ARG58D, ARG80C, ARG80D, ASN143C, ASN143D, ASN151C, ASN151D, ASP135C, ASP135D, ASP17C, ASP17D, ASP69C, ASP69D, ASP74C, ASP74D, CYS16C, CYS16D, GLN137C, GLN137D, GLN33C, GLN33D, GLU115D, GLU124C, GLU124D, GLU127C, GLU127D, GLU140C, GLU140D, GLU146C, GLU146D, GLU150C, GLU150D, GLU19C, GLU19D, GLU59D, GLY126C, GLY126D, GLY152C, GLY152D, GLY22C, GLY22D, GLY32C, GLY32D, GLY48C, GLY48D, ILE121C, ILE121D, ILE128C, ILE128D, ILE141C, ILE141D, ILE147C, ILE147D, ILE155C, ILE155D, ILE21C, ILE21D, ILE25C, ILE25D, ILE34C, ILE34D, ILE36C, ILE36D, ILE73C, ILE73D, LEU129C, LEU129D, LEU145C, LEU145D, LEU153C, LEU153D, LEU28C, LEU28D, LEU67C, LEU67D, LEU71C, LEU71D, LYS119C, LYS119D, LYS120C, LYS120D, LYS154C, LYS154D, LYS18C, LYS18D, LYS23C, LYS23D, LYS38C, LYS38D, LYS39C, LYS39D, LYS72C, LYS72D, LYS75D, PHE130C, PHE130D, PHE133C, PHE133D, PHE149C, PHE149D, PHE20C, PHE20D, PHE50C, PHE50D, PHE52C, PHE52D, PRO51C, PRO51D, SER123C, SER123D, SER131C, SER131D, SER132C, SER132D, SER144C, SER144D, SER26C, SER26D, SER47C, SER68C, SER68D, THR142C, THR142D, THR77C, THR77D, TRP125C, TRP125D, TYR27C, TYR27D, TYR29C, TYR29D, TYR31C, TYR31D, TYR35C, TYR35D, TYR57C, TYR57D, TYR70C, TYR70D
• E-F: ALA122E, ALA122F, ALA24E, ALA24F, ARG136E, ARG136F, ARG138E, ARG138F, ARG139E, ARG139F, ARG30E, ARG30F, ARG55E, ARG55F, ARG58E, ARG58F, ASN143E, ASN143F, ASN151E, ASN151F, ASP135E, ASP135F, ASP17E, ASP17F, ASP69E, ASP69F, ASP74E, ASP74F, CYS16F, GLN137E, GLN137F, GLN33E, GLN33F, GLN49E, GLU115F, GLU124E, GLU124F, GLU127E, GLU127F, GLU140E, GLU140F, GLU146E, GLU146F, GLU150E, GLU150F, GLU19E, GLU19F, GLY126E, GLY126F, GLY152E, GLY152F, GLY22E, GLY22F, GLY32E, GLY32F, GLY48E, GLY48F, ILE121E, ILE121F, ILE128E, ILE128F, ILE141E, ILE141F, ILE147E, ILE147F, ILE155E, ILE155F, ILE21E, ILE21F, ILE25E, ILE25F, ILE34E, ILE34F, ILE36E, ILE36F, ILE73E, ILE73F, LEU129E, LEU129F, LEU145E, LEU145F, LEU153E, LEU153F, LEU15F, LEU28E, LEU28F, LEU67E, LEU67F, LEU71E, LEU71F, LYS119E, LYS119F, LYS120E, LYS120F, LYS154E, LYS154F, LYS18E, LYS18F, LYS23E, LYS23F, LYS38E, LYS38F, LYS39E, LYS39F, LYS72E, LYS72F, PHE130E, PHE130F, PHE133E, PHE133F, PHE149E, PHE149F, PHE20E, PHE20F, PHE50E, PHE50F, PHE52E, PHE52F, PRO116E, PRO116F, PRO51E, PRO51F, SER123E, SER123F, SER131E, SER131F, SER132E, SER132F, SER144E, SER144F, SER26E, SER26F, SER47E, SER47F, SER68E, SER68F, THR142E, THR142F, THR77E, THR77F, TRP125E, TRP125F, TYR27E, TYR27F, TYR29E, TYR29F, TYR31E, TYR31F, TYR35E, TYR35F, TYR70E, TYR70F
• E-G: ASP17G, ASP87E, GLN83E
• E-H: ARG139H, ARG58H, ARG80E, ASP87E, GLN83E, GLU115H, GLU59H, GLY76E, LYS112H, LYS119H, LYS84E, PRO116H, TYR57H, VAL86E
• F-H: ALA79F, ALA81F, ARG100F, ARG100H, ARG101F, ARG101H, ARG104H, ARG80F, ARG93F, ARG93H, ARG95F, ARG95H, ASP60H, ASP69F, ASP74F, ASP87F, ASP96H, ASP99F, ASP99H, GLN49F, GLN64F, GLN83F, GLN94H, GLU109H, GLU65F, GLU97H, GLY111H, GLY61H, GLY76F, ILE82F, LEU107H, LYS110H, LYS112H, LYS113H, LYS75F, LYS84F, LYS98H, PHE106H, PHE92H, SER102F, SER102H, SER68F, THR108H, THR77F, THR78F, TYR103F, TYR103H, TYR90H, VAL91H
• G-H: ALA122G, ALA122H, ALA24G, ALA24H, ARG136G, ARG136H, ARG138G, ARG138H, ARG139G, ARG139H, ARG30G, ARG30H, ARG55G, ARG55H, ARG58G, ARG58H, ASN143G, ASN143H, ASN151G, ASN151H, ASP135H, ASP17G, ASP69G, ASP69H, ASP74G, ASP74H, GLN137G, GLN137H, GLN33G, GLN33H, GLU115G, GLU124G, GLU124H, GLU127G, GLU127H, GLU140G, GLU140H, GLU146G, GLU146H, GLU150G, GLU150H, GLU19G, GLU19H, GLU59G, GLY126G, GLY126H, GLY152G, GLY152H, GLY22G, GLY22H, GLY32G, GLY32H, GLY48G, GLY48H, ILE121G, ILE121H, ILE128G, ILE128H, ILE141G, ILE141H, ILE147G, ILE147H, ILE155G, ILE155H, ILE21G, ILE21H, ILE25G, ILE25H, ILE34G, ILE34H, ILE36G, ILE36H, ILE73G, ILE73H, LEU129G, LEU129H, LEU145G, LEU145H, LEU153G, LEU153H, LEU28G, LEU28H, LEU67G, LEU67H, LEU71G, LEU71H, LYS119G, LYS119H, LYS120G, LYS120H, LYS154G, LYS154H, LYS18G, LYS18H, LYS23G, LYS23H, LYS38H, LYS39G, LYS72G, LYS72H, PHE130G, PHE130H, PHE133G, PHE133H, PHE149G, PHE149H, PHE20G, PHE20H, PHE50G, PHE50H, PHE52G, PHE52H, PRO116G, PRO116H, PRO51G, PRO51H, SER123G, SER123H, SER131G, SER131H, SER132G, SER132H, SER144G, SER144H, SER26G, SER26H, SER47G, SER47H, SER68G, SER68H, THR142G, THR142H, THR77G, TRP125G, TRP125H, TYR27G, TYR27H, TYR29G, TYR29H, TYR31G, TYR31H, TYR35G, TYR35H, TYR57G, TYR57H, TYR70G, TYR70H