3QMV

redj-thioesterase from the prodiginine biosynthetic pathway in streptomyces coelicolor

• Total interactions analyzed: 6
• Total true interactions: 4
• Strongest Interaction:
  • Chains: A-C
  • Int. Res.: 194
  • Norm. En. per Res.: -3.1195
• Hub Node: A(2)

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-C	-64.1247	9.8014	-550.856	-605.1793	194	16	8	21853	1	52	46
A-D	0.0	27.6176	-50.2793	-22.6617	32	2	0	2124	0	19	17
B-C	0.0	0.0	-0.6705	-0.6705	10	0	0	111	0	4	6
B-D	-64.0136	25.5699	-556.607	-595.0506	197	19	8	22180	1	50	46

Interface residues

• A-C: ALA12A, ALA12C, ALA19A, ALA19C, ALA20A, ALA20C, ALA22A, ALA22C, ALA23A, ALA255A, ALA255C, ALA29A, ALA29C, ALA30C, ALA60A, ALA60C, ALA85A, ALA85C, ALA87A, ALA87C, ALA89A, ALA89C, ALA91A, ALA91C, ARG10A, ARG10C, ARG129C, ARG16A, ARG16C, ARG235A, ARG235C, ARG250A, ARG250C, ARG252A, ARG252C, ARG34A, ARG34C, ARG49A, ARG49C, ARG54A, ARG54C, ARG69C, ARG72A, ARG72C, ARG74A, ARG76A, ARG96A, ARG96C, ASN4C, ASP251A, ASP251C, ASP27A, ASP27C, ASP57A, ASP57C, ASP90A, ASP90C, CYS37A, CYS37C, GLN52A, GLN52C, GLN65A, GLN65C, GLN9A, GLN9C, GLU24C, GLU260A, GLU260C, GLU53A, GLU53C, GLU58A, GLU58C, GLU75A, GLU75C, GLU86A, GLU86C, GLU93A, GLU93C, GLU94A, GLU94C, GLY247A, GLY247C, GLY258A, GLY258C, GLY50A, GLY50C, GLY56A, GLY56C, GLY68A, GLY70A, GLY70C, HIS256A, HIS256C, HIS95A, HIS95C, LEU112A, LEU112C, LEU233A, LEU233C, LEU237A, LEU237C, LEU253A, LEU253C, LEU254A, LEU254C, LEU257A, LEU257C, LEU261A, LEU261C, LEU33A, LEU33C, LEU55A, LEU55C, LEU66A, LEU66C, LEU6C, LEU71A, LEU71C, LEU7C, LEU84A, LEU84C, LEU92A, LEU92C, LEU97A, LEU97C, PHE132A, PHE14A, PHE14C, PHE1C, PHE208A, PHE208C, PHE38A, PHE38C, PHE48A, PHE48C, PRO15A, PRO15C, PRO17A, PRO17C, PRO21A, PRO21C, PRO248A, PRO248C, PRO25A, PRO25C, PRO26A, PRO26C, PRO28A, PRO28C, PRO32A, PRO32C, PRO63A, PRO63C, PRO67A, PRO67C, PRO83A, PRO83C, SER11A, SER11C, SER249A, SER249C, SER46A, SER46C, SER8C, THR259A, THR259C, THR44A, THR44C, THR98A, THR98C, TRP13A, TRP13C, TRP51A, TRP51C, TYR78A, TYR78C, VAL116A, VAL116C, VAL18A, VAL18C, VAL36A, VAL36C, VAL45A, VAL45C, VAL59A, VAL59C, VAL61A, VAL61C, VAL62A, VAL62C, VAL64A, VAL64C, VAL88A, VAL88C
• A-D: ALA125D, ALA154A, ARG121D, ARG122D, ARG123D, ARG127D, ARG156A, ARG160A, ASP152A, ASP161A, ASP166A, ASP177A, ASP202D, CYS118D, GLU157A, GLY124D, GLY163A, LEU120D, LEU165A, LEU180A, LEU201D, PHE176A, PRO126D, PRO128D, PRO199D, PRO200D, SER151A, THR153A, THR229D, THR98D, TYR101D, VAL119D
• B-C: ALA212B, ALA29C, ALA30C, ARG137B, ARG145B, ARG96C, ASP144B, ILE215B, PRO214B, THR217B
• B-D: ALA12B, ALA12D, ALA19B, ALA19D, ALA20B, ALA20D, ALA22B, ALA23B, ALA255B, ALA255D, ALA29B, ALA29D, ALA30B, ALA30D, ALA60B, ALA60D, ALA85B, ALA85D, ALA87B, ALA87D, ALA89B, ALA89D, ALA91B, ALA91D, ARG10B, ARG10D, ARG129D, ARG16B, ARG16D, ARG235B, ARG235D, ARG250B, ARG250D, ARG252B, ARG252D, ARG34B, ARG34D, ARG49B, ARG49D, ARG54B, ARG54D, ARG69B, ARG69D, ARG72B, ARG72D, ARG74B, ARG76B, ARG96B, ARG96D, ASN4D, ASP251B, ASP251D, ASP27B, ASP27D, ASP57B, ASP57D, ASP90B, ASP90D, CYS37B, CYS37D, GLN52B, GLN52D, GLN65B, GLN65D, GLN9B, GLN9D, GLU260B, GLU260D, GLU53B, GLU53D, GLU58B, GLU58D, GLU75B, GLU75D, GLU86B, GLU86D, GLU93B, GLU93D, GLU94B, GLU94D, GLY246B, GLY247B, GLY247D, GLY258B, GLY258D, GLY50B, GLY50D, GLY56B, GLY56D, GLY68B, GLY70B, GLY70D, HIS130D, HIS256B, HIS256D, HIS95B, HIS95D, LEU112B, LEU112D, LEU233B, LEU233D, LEU237B, LEU237D, LEU253B, LEU253D, LEU254B, LEU254D, LEU257B, LEU257D, LEU261B, LEU261D, LEU33B, LEU33D, LEU55B, LEU55D, LEU66B, LEU66D, LEU6D, LEU71B, LEU71D, LEU73B, LEU7D, LEU84B, LEU84D, LEU92B, LEU92D, LEU97B, LEU97D, PHE132B, PHE14B, PHE14D, PHE1D, PHE208B, PHE208D, PHE38B, PHE38D, PHE48B, PHE48D, PRO15B, PRO15D, PRO17B, PRO17D, PRO21B, PRO248B, PRO248D, PRO25B, PRO25D, PRO26B, PRO26D, PRO28B, PRO28D, PRO32B, PRO32D, PRO63B, PRO63D, PRO67B, PRO67D, PRO83B, PRO83D, SER11B, SER11D, SER249B, SER249D, SER46B, SER46D, SER8B, SER8D, THR259B, THR259D, THR44B, THR44D, THR98B, THR98D, TRP13B, TRP13D, TRP51B, TRP51D, TYR78B, TYR78D, VAL116B, VAL116D, VAL18B, VAL18D, VAL36B, VAL36D, VAL45B, VAL45D, VAL59B, VAL59D, VAL61B, VAL61D, VAL62B, VAL62D, VAL64B, VAL64D, VAL88B, VAL88D