3PAS

crystal structure of a tetr family transcription regulator (maqu_1417) from marinobacter aquaeolei vt8 at 1.90 a resolution

• Total interactions analyzed: 6
• Total true interactions: 6
• Strongest Interaction:
  • Chains: A-B
  • Int. Res.: 102
  • Norm. En. per Res.: -4.2334
• 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	-53.1654	-106.7544	-271.889	-431.8088	102	9	11	11067	11	28	27
A-C	-17.8551	1.2867	-29.1664	-45.7348	28	2	0	1424	2	9	9
A-D	0.0	-19.1568	-73.2722	-92.429	45	1	1	3234	1	20	14
B-C	0.0	33.9374	-76.5747	-42.6373	57	1	0	3439	0	24	22
B-D	0.0	-6.0523	102.655	96.6027	42	20	0	1020	0	8	9
C-D	-29.6786	-14.2956	-262.156	-306.1302	121	9	12	11268	7	37	31

Interface residues

• A-B: ALA180A, ALA180B, ALA184A, ALA184B, ALA187A, ALA187B, ALA189A, ALA189B, ARG103B, ARG156A, ARG156B, ARG164A, ARG164B, ARG191A, ARG191B, ARG81A, ASN182A, ASN182B, ASP186A, ASP186B, ASP190A, ASP190B, CYS165A, GLN119A, GLN119B, GLN163A, GLN163B, GLN167A, GLN167B, GLU106A, GLU106B, GLU123B, GLU151A, GLU151B, GLU171A, GLU171B, GLU175A, GLU175B, GLU178A, GLU178B, GLY172A, HIS110A, HIS110B, HIS160A, HIS160B, HIS176A, HIS176B, ILE158A, ILE158B, ILE177A, ILE177B, LEU149A, LEU149B, LEU150A, LEU150B, LEU161A, LEU161B, LEU179A, LEU179B, LYS143A, LYS143B, PHE147A, PHE147B, PHE153A, PHE153B, PHE155A, PHE155B, PHE170A, PHE170B, PHE181A, PHE181B, PHE92A, PHE92B, PRO144A, PRO144B, PRO146A, PRO146B, PRO148A, PRO148B, PRO157A, PRO157B, SER111B, SER169A, SER169B, THR109A, THR109B, THR152A, THR152B, THR173A, THR194B, TRP185A, TRP185B, TRP88A, TRP88B, TYR159A, TYR159B, VAL145A, VAL145B, VAL162A, VAL162B, VAL188A, VAL188B
• A-C: ALA112A, ALA120A, ALA15C, ALA21C, ALA36C, ARG103C, ARG121A, ARG18C, ASP22C, GLN119A, GLN167C, GLU100C, GLU117A, GLU123A, GLU19C, GLY168C, HIS110A, HIS23C, ILE118A, LEU166C, LEU56A, LYS32C, PRO116A, PRO99C, SER111A, THR115A, VAL17C, VAL20C
• A-D: ALA112A, ALA112D, ALA27A, ALA27D, ALA42A, ASP50A, ASP50D, GLN53A, GLN53D, GLU117D, GLU49A, GLU49D, GLU52A, GLU52D, GLY31A, GLY31D, HIS110D, ILE118D, LEU44A, LEU55A, LEU55D, LYS32A, LYS32D, LYS51A, LYS51D, PHE25A, PHE25D, PRO116D, PRO41A, SER111A, SER111D, SER26A, SER26D, SER29A, SER29D, THR115A, THR115D, THR28A, THR28D, TRP113A, TRP113D, TYR45A, TYR45D, VAL30A, VAL30D
• B-C: ALA180C, ALA184C, ALA21B, ARG103B, ARG164B, ARG164C, ARG18B, ARG93C, ARG98B, ARG98C, ARG9B, ASP174C, ASP22B, CYS165B, CYS165C, GLN163B, GLN167B, GLN167C, GLU100B, GLU171B, GLU171C, GLU175C, GLU97B, GLU97C, GLY168B, GLY168C, GLY172B, GLY172C, GLY95B, GLY95C, HIS160C, HIS176C, HIS23B, ILE158C, ILE177C, ILE94B, ILE94C, LEU101B, LEU161C, LEU166B, LEU166C, LEU96B, LEU96C, PHE102B, PHE170B, PHE170C, PHE92C, PRO157C, PRO99B, PRO99C, SER169B, SER169C, THR173B, THR173C, TRP88C, VAL162B, VAL162C
• B-D: ALA120D, ALA127D, ALA132D, ALA187D, ALA27B, ALA34B, ALA36B, ALA37B, ARG156D, ARG18B, ARG9B, ASN131D, ASP134D, ASP22B, GLN119D, GLN135D, GLN138D, GLU117D, GLU123D, GLU151D, GLU19B, GLY38B, HIS23B, LEU130D, LEU149D, LEU150D, LEU39B, LYS137D, LYS32B, LYS35B, PHE147D, PHE153D, PHE155D, PRO116D, PRO144D, PRO146D, PRO148D, PRO157D, SER40B, THR152D, VAL145D, VAL188D
• C-D: ALA112C, ALA112D, ALA180C, ALA180D, ALA184C, ALA184D, ALA187C, ALA187D, ALA189C, ALA189D, ALA27C, ALA27D, ARG103D, ARG156C, ARG156D, ARG164C, ARG164D, ARG191C, ARG191D, ASN182C, ASN182D, ASP186C, ASP186D, ASP190C, ASP190D, ASP22C, ASP22D, GLN119C, GLN119D, GLN163C, GLN163D, GLN167C, GLN167D, GLU106C, GLU106D, GLU123C, GLU151C, GLU151D, GLU171C, GLU171D, GLU175C, GLU175D, GLU178C, GLU178D, GLY168D, GLY172D, GLY24C, GLY24D, HIS105C, HIS110C, HIS110D, HIS160C, HIS160D, HIS176C, HIS176D, HIS23C, HIS23D, ILE158C, ILE158D, ILE177C, ILE177D, LEU149C, LEU149D, LEU150C, LEU150D, LEU161C, LEU161D, LEU179C, LEU179D, LYS143C, LYS143D, PHE108C, PHE108D, PHE147C, PHE147D, PHE153C, PHE153D, PHE155C, PHE155D, PHE170C, PHE170D, PHE181C, PHE181D, PHE92C, PHE92D, PRO116C, PRO116D, PRO144C, PRO144D, PRO146C, PRO146D, PRO148C, PRO148D, PRO157C, PRO157D, SER111C, SER111D, SER169C, SER169D, SER26C, SER26D, THR107C, THR107D, THR109C, THR109D, THR115C, THR152C, THR152D, THR173D, TRP185C, TRP185D, TRP88C, TRP88D, TYR159C, TYR159D, VAL145C, VAL145D, VAL162C, VAL162D, VAL188C, VAL188D