3IWD

t. maritima adometdc complex with 5'-deoxy-5'-dimethyl thioadenosine

• Total interactions analyzed: 6
• Total true interactions: 6
• Strongest Interaction:
  • Chains: B-A
  • Int. Res.: 114
  • Norm. En. per Res.: -11.4567
• Hub Node: B(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
B-A	-386.1323	-112.9662	-806.966	-1306.0645	114	45	32	28288	7	60	37
B-D	0.0	0.0	-60.3493	-60.3493	54	3	3	3448	0	9	1
B-C	-30.1931	-40.3104	-65.2922	-135.7957	47	3	1	2777	2	8	13
A-D	-26.8852	-30.994	-69.2231	-127.1022	50	3	1	2779	1	8	14
A-C	-22.4125	-94.45	-179.61	-296.4725	66	10	4	7285	9	24	29
D-C	-344.459	-88.9548	-837.601	-1271.0147	114	46	30	29294	8	58	39

Interface residues

• B-A: ALA102A, ALA10B, ALA33B, ALA34B, ALA39B, ALA76A, ALA77A, ALA92A, ALA99A, ARG104A, ARG112A, ARG114A, ARG17B, ARG48B, ARG6B, ASN22B, ASP116A, ASP16B, ASP21B, ASP79A, ASP86A, ASP88A, CYS15B, CYS83A, GLN28B, GLN32B, GLU109A, GLU111A, GLU117A, GLU11B, GLU14B, GLU18B, GLU27B, GLU29B, GLU36B, GLU62B, GLU72A, GLU85A, GLU94A, GLY113A, GLY38B, GLY53B, GLY56B, GLY5B, GLY74A, GLY84A, HIS106A, HIS110A, HIS47B, HIS64A, HIS68A, HIS7B, HIS95A, ILE118A, ILE26B, ILE41B, ILE60B, ILE67A, ILE78A, LEU100A, LEU20B, LEU25B, LEU4B, LEU65A, LEU80A, LEU8B, LEU96A, LYS101A, LYS103A, LYS2B, LYS31B, LYS91A, LYS97A, LYS98A, MET30B, PHE12B, PHE46B, PHE49B, PHE81A, PHE93A, PRO51B, PRO71A, PRO89A, SER37B, SER3B, SER44B, SER55B, SER61B, THR40B, THR43B, THR45B, THR66A, THR69A, THR82A, TRP70A, TRP90A, TYR115A, TYR13B, TYR35B, TYR52B, TYR73A, TYR75A, VAL105A, VAL107A, VAL108A, VAL19B, VAL23B, VAL42B, VAL54B, VAL57B, VAL58B, VAL59B, VAL87A, VAL9B
• B-D: ALA10B, ALA10D, ARG48B, ARG48D, GLU11B, GLU11D, GLU62B, GLU62D, GLY56B, GLY56D, GLY5B, GLY5D, HIS47B, HIS47D, HIS7B, HIS7D, ILE60B, ILE60D, LEU4B, LEU4D, LEU50D, LEU8B, LEU8D, PHE46B, PHE46D, PHE49B, PHE49D, SER3B, SER3D, SER44B, SER44D, SER55B, SER55D, SER61B, SER61D, THR40B, THR40D, THR43B, THR43D, THR45B, THR45D, TYR13B, TYR13D, VAL42B, VAL42D, VAL54D, VAL57B, VAL57D, VAL58B, VAL58D, VAL59B, VAL59D, VAL9B, VAL9D
• B-C: ALA10B, ALA76C, ALA77C, ARG112C, ARG114C, ARG17B, ARG6B, ASP116C, ASP79C, GLU111C, GLU117C, GLU11B, GLU14B, GLU72C, GLY113C, GLY56B, GLY5B, HIS110C, HIS64C, HIS68C, HIS7B, ILE118C, ILE60B, ILE67C, ILE78C, LEU4B, LEU65C, LEU80C, LEU8B, PHE12B, PHE81C, SER3B, SER55B, SER61B, THR66C, THR69C, TRP70C, TYR115C, TYR13B, TYR73C, TYR75C, VAL108C, VAL42B, VAL57B, VAL58B, VAL59B, VAL9B
• A-D: ALA10D, ALA76A, ALA77A, ARG112A, ARG114A, ARG17D, ASP116A, ASP79A, CYS15D, CYS83A, GLU111A, GLU117A, GLU11D, GLU14D, GLU62D, GLU72A, GLY113A, GLY56D, GLY5D, HIS110A, HIS64A, HIS68A, HIS7D, ILE118A, ILE60D, ILE67A, ILE78A, LEU4D, LEU65A, LEU80A, LEU8D, PHE12D, PHE49D, PHE81A, SER3D, SER55D, SER61D, THR66A, THR69A, TRP70A, TYR115A, TYR13D, TYR73A, TYR75A, VAL108A, VAL42D, VAL57D, VAL58D, VAL59D, VAL9D
• A-C: ALA76A, ALA76C, ALA77A, ALA77C, ARG104A, ARG104C, ARG112A, ARG112C, ARG114A, ARG114C, ASP116A, ASP116C, ASP79A, ASP79C, CYS83A, CYS83C, GLU109A, GLU109C, GLU111A, GLU111C, GLU117A, GLU117C, GLU72A, GLU72C, GLY113A, GLY113C, GLY74A, GLY74C, GLY84A, GLY84C, HIS106A, HIS106C, HIS110A, HIS110C, HIS64A, HIS64C, HIS68A, HIS68C, ILE118A, ILE118C, ILE67A, ILE67C, ILE78A, ILE78C, LEU65A, LEU65C, LEU80A, LEU80C, PHE81A, PHE81C, THR66A, THR66C, THR82A, THR82C, TRP70A, TRP70C, TYR115A, TYR115C, TYR73A, TYR73C, TYR75A, TYR75C, VAL107A, VAL107C, VAL108A, VAL108C
• D-C: ALA102C, ALA10D, ALA33D, ALA34D, ALA39D, ALA76C, ALA77C, ALA92C, ALA99C, ARG104C, ARG112C, ARG114C, ARG17D, ARG48D, ARG6D, ASN22D, ASP116C, ASP16D, ASP21D, ASP79C, ASP86C, ASP88C, CYS15D, CYS83C, GLN28D, GLN32D, GLU109C, GLU111C, GLU117C, GLU11D, GLU14D, GLU18D, GLU27D, GLU29D, GLU36D, GLU62D, GLU72C, GLU85C, GLU94C, GLY113C, GLY38D, GLY53D, GLY56D, GLY5D, GLY74C, GLY84C, HIS106C, HIS110C, HIS47D, HIS64C, HIS68C, HIS7D, HIS95C, ILE118C, ILE26D, ILE41D, ILE60D, ILE67C, ILE78C, LEU100C, LEU20D, LEU25D, LEU4D, LEU65C, LEU80C, LEU8D, LEU96C, LYS101C, LYS103C, LYS2D, LYS31D, LYS91C, LYS97C, LYS98C, MET30D, PHE12D, PHE46D, PHE49D, PHE81C, PHE93C, PRO51D, PRO71C, PRO89C, SER37D, SER3D, SER44D, SER55D, SER61D, THR40D, THR43D, THR45D, THR66C, THR69C, THR82C, TRP70C, TRP90C, TYR115C, TYR13D, TYR35D, TYR52D, TYR73C, TYR75C, VAL105C, VAL107C, VAL108C, VAL19D, VAL23D, VAL42D, VAL54D, VAL57D, VAL58D, VAL59D, VAL87C, VAL9D