1VK8

crystal structure of a putative thiamine biosynthesis/salvage protein (tm0486) from thermotoga maritima at 1.80 a resolution

• Total interactions analyzed: 6
• Total true interactions: 6
• Strongest Interaction:
  • Chains: C-D
  • Int. Res.: 99
  • Norm. En. per Res.: -6.8663
• 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	-185.5728	-83.2755	-335.47	-604.3183	98	21	13	12557	10	40	39
A-C	-36.7333	-82.7404	-208.215	-327.6887	95	16	6	8962	6	35	27
A-D	-9.7362	-46.2821	-106.214	-162.2323	46	2	7	4419	2	16	20
B-C	-7.6247	-19.3394	-100.354	-127.3181	46	0	7	4410	0	16	21
B-D	-60.3967	-86.3236	-193.06	-339.7804	94	16	6	8730	8	35	27
C-D	-199.7244	-95.5088	-384.527	-679.7602	99	24	13	12943	12	40	39

Interface residues

• A-B: ALA13A, ALA13B, ALA61A, ALA61B, ALA68A, ALA68B, ALA81A, ALA81B, ARG56A, ARG56B, ARG62A, ARG62B, ARG70A, ARG70B, ASN43A, ASN43B, ASP55A, ASP55B, ASP76A, ASP76B, ASP78A, ASP78B, GLN66A, GLN66B, GLN74A, GLN74B, GLU49A, GLU49B, GLU51A, GLU51B, GLU52A, GLU52B, GLU59A, GLU59B, GLU65A, GLU65B, GLU88A, GLU88B, GLY82A, GLY82B, GLY83A, GLY83B, ILE53A, ILE53B, ILE77A, ILE77B, ILE84A, ILE84B, ILE8A, ILE8B, LEU60A, LEU60B, LEU64A, LEU64B, LEU73A, LEU73B, LEU75A, LEU75B, LYS58A, LYS58B, LYS69A, LYS69B, LYS80A, LYS80B, LYS89A, LYS89B, LYS9A, LYS9B, PHE50A, PHE50B, PHE71A, PHE71B, PRO12A, PRO12B, PRO2A, PRO2B, SER7A, SER7B, THR5A, THR5B, THR85A, THR85B, TYR63A, TYR63B, TYR79A, TYR79B, VAL10A, VAL10B, VAL11A, VAL11B, VAL4A, VAL4B, VAL57A, VAL57B, VAL6A, VAL6B, VAL72A, VAL72B
• A-C: ALA26A, ALA26C, ALA81A, ALA81C, ARG25A, ARG25C, ARG94A, ARG94C, ASN43A, ASN43C, ASP16A, ASP16C, ASP24A, ASP24C, ASP76A, ASP76C, ASP78A, ASP78C, GLN74A, GLN74C, GLU21A, GLU21C, GLU28A, GLU28C, GLU38A, GLU38C, GLU47A, GLU47C, GLU87A, GLU87C, GLU88A, GLU88C, GLY17A, GLY17C, GLY40A, GLY40C, HIS20A, HIS20C, ILE23A, ILE23C, ILE27A, ILE27C, ILE77A, ILE77C, ILE84A, ILE84C, ILE86A, ILE86C, ILE8A, ILE8C, LEU19A, LEU19C, LYS36A, LYS36C, LYS80A, LYS80C, LYS89A, LYS89C, LYS92A, LYS92C, LYS9A, LYS9C, PRO41A, PRO41C, SER31A, SER31C, SER42A, SER42C, SER7A, SER7C, SER91A, SER91C, THR44A, THR44C, THR45A, THR45C, THR5A, THR5C, THR85A, THR85C, TYR37A, TYR37C, TYR93A, TYR93C, VAL11A, VAL11C, VAL22C, VAL39A, VAL39C, VAL46A, VAL46C, VAL6A, VAL6C, VAL90A, VAL90C
• A-D: ALA13A, ALA13D, ALA68A, ALA68D, ARG18A, ARG18D, ARG70A, ARG70D, ASN43A, ASN43D, ASP16A, ASP16D, GLN74A, GLN74D, GLU15A, GLU15D, GLY17A, GLY17D, HIS20A, HIS20D, ILE23A, ILE23D, LEU19A, LEU19D, LEU73A, LEU73D, LYS69A, LYS69D, LYS9A, LYS9D, PHE71A, PHE71D, PRO12A, PRO12D, PRO41A, PRO41D, SER42A, SER42D, VAL10A, VAL10D, VAL11A, VAL11D, VAL14A, VAL14D, VAL72A, VAL72D
• B-C: ALA13B, ALA13C, ALA68B, ALA68C, ARG18B, ARG18C, ARG70B, ARG70C, ASN43B, ASN43C, ASP16B, ASP16C, GLN74B, GLN74C, GLU15B, GLU15C, GLY17B, GLY17C, HIS20B, HIS20C, ILE23B, ILE23C, LEU19B, LEU19C, LEU73B, LEU73C, LYS69B, LYS69C, LYS9B, LYS9C, PHE71B, PHE71C, PRO12B, PRO12C, PRO41B, PRO41C, SER42B, SER42C, VAL10B, VAL10C, VAL11B, VAL11C, VAL14B, VAL14C, VAL72B, VAL72C
• B-D: ALA26B, ALA26D, ALA81D, ARG25B, ARG25D, ARG94B, ARG94D, ASN43B, ASN43D, ASP16B, ASP16D, ASP24B, ASP24D, ASP76B, ASP76D, ASP78B, ASP78D, GLN74B, GLN74D, GLU21B, GLU21D, GLU28B, GLU28D, GLU38B, GLU38D, GLU47B, GLU47D, GLU87B, GLU87D, GLU88B, GLU88D, GLY17B, GLY17D, GLY40B, GLY40D, HIS20B, HIS20D, ILE23B, ILE23D, ILE27B, ILE27D, ILE77B, ILE77D, ILE84B, ILE84D, ILE86B, ILE86D, ILE8B, ILE8D, LEU19B, LEU19D, LYS36B, LYS36D, LYS80B, LYS80D, LYS89B, LYS89D, LYS92B, LYS92D, LYS9B, LYS9D, PRO41B, PRO41D, SER31B, SER31D, SER42B, SER42D, SER7B, SER7D, SER91B, SER91D, THR44B, THR44D, THR45B, THR45D, THR5B, THR5D, THR85B, THR85D, TYR37B, TYR37D, TYR93B, TYR93D, VAL11B, VAL11D, VAL22D, VAL39B, VAL39D, VAL46B, VAL46D, VAL6B, VAL6D, VAL90B, VAL90D
• C-D: ALA13C, ALA13D, ALA61C, ALA61D, ALA68C, ALA68D, ALA81C, ALA81D, ARG56C, ARG56D, ARG62C, ARG62D, ARG70C, ARG70D, ASN43C, ASN43D, ASP55C, ASP55D, ASP76C, ASP76D, ASP78C, ASP78D, GLN66C, GLN66D, GLN74C, GLN74D, GLU49C, GLU49D, GLU51C, GLU51D, GLU52C, GLU52D, GLU59C, GLU59D, GLU65C, GLU65D, GLU88C, GLU88D, GLY82C, GLY82D, GLY83C, GLY83D, ILE53C, ILE53D, ILE77C, ILE77D, ILE84C, ILE84D, ILE8C, ILE8D, LEU60C, LEU60D, LEU64C, LEU64D, LEU73C, LEU73D, LEU75C, LEU75D, LYS3C, LYS58C, LYS58D, LYS69C, LYS69D, LYS80C, LYS80D, LYS89C, LYS89D, LYS9C, LYS9D, PHE50C, PHE50D, PHE71C, PHE71D, PRO12C, PRO12D, PRO2C, PRO2D, SER7C, SER7D, THR5C, THR5D, THR85C, THR85D, TYR63C, TYR63D, TYR79C, TYR79D, VAL10C, VAL10D, VAL11C, VAL11D, VAL4C, VAL4D, VAL57C, VAL57D, VAL6C, VAL6D, VAL72C, VAL72D