3KCM

the crystal structure of thioredoxin protein from geobacter metallireducens

• Total interactions analyzed: 15
• Total true interactions: 6
• Strongest Interaction:
  • Chains: A-D
  • Int. Res.: 48
  • Norm. En. per Res.: -2.1194
• 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	-4.9561	-0.218	-66.7522	-71.9263	44	0	2	3161	1	9	10
A-C	-3.8805	36.6233	-103.977	-71.2342	49	1	1	4163	0	11	20
A-D	-25.486	28.7865	-105.03	-101.7295	48	5	1	4255	0	10	20
B-E	-11.3752	25.1141	-104.819	-91.08	47	3	1	4189	0	12	20
B-F	-7.6243	33.565	-99.5739	-73.6332	47	3	1	4155	0	12	20
C-E	0.0	2.365	-0.0019	2.3631	4	0	0	2	0	3	5

Interface residues

• A-B: ALA160A, ALA79A, ALA79B, ALA80A, ALA80B, ALA82A, ALA82B, ARG106A, ARG106B, ARG68A, ARG76A, ARG76B, ASN163A, ASN78A, ASP154A, ASP154B, GLU103B, GLY109A, GLY109B, GLY83A, HIS155B, ILE159A, ILE71A, ILE71B, LEU112A, LEU112B, LEU77A, LYS107A, LYS107B, LYS84A, PHE104A, PHE105A, PHE105B, PHE110A, PHE110B, PRO156A, PRO72A, PRO72B, SER73A, SER73B, THR108A, THR108B, THR111A, THR111B
• A-C: ALA150C, ALA61C, ARG68C, ARG87A, ASN38A, ASN41A, ASP49A, ASP94C, CYS64C, CYS67C, GLN53A, GLU133C, GLU43A, GLU95C, GLY127C, GLY130C, GLY149C, GLY42A, GLY52A, ILE93C, LEU115A, LEU37A, LEU40A, LEU50A, LEU89A, LYS120C, LYS124C, LYS146C, LYS46A, LYS51A, PHE59C, PRO113A, PRO132C, PRO65C, PRO66C, PRO85A, SER48A, THR128C, THR129C, THR134C, THR36A, THR39A, THR62C, TRP63C, VAL131C, VAL147C, VAL148C, VAL44A, VAL45A
• A-D: ALA150A, ALA61A, ARG68A, ARG87D, ASN38D, ASN41D, ASP49D, ASP94A, CYS64A, CYS67A, GLN53D, GLU133A, GLU43D, GLU95A, GLY127A, GLY130A, GLY149A, GLY42D, GLY52D, ILE93A, LEU115D, LEU37D, LEU40D, LEU47D, LEU50D, LEU89D, LYS120A, LYS124A, LYS146A, LYS46D, LYS51D, PHE59A, PRO113D, PRO132A, PRO65A, PRO66A, SER48D, THR128A, THR129A, THR36D, THR39D, TRP60A, TRP63A, VAL131A, VAL147A, VAL148A, VAL44D, VAL45D
• B-E: ALA150B, ALA61B, ARG68B, ARG87E, ASN38E, ASN41E, ASP49E, ASP94B, CYS64B, CYS67B, GLN53E, GLU133B, GLU43E, GLU95B, GLY127B, GLY130B, GLY149B, GLY42E, GLY52E, ILE93B, LEU115E, LEU37E, LEU50E, LEU89E, LYS120B, LYS124B, LYS146B, LYS46E, LYS51E, PHE59B, PHE86E, PRO113E, PRO132B, PRO65B, PRO66B, SER48E, THR128B, THR129B, THR36E, THR39E, TRP60B, TRP63B, VAL131B, VAL147B, VAL148B, VAL44E, VAL45E
• B-F: ALA150F, ALA61F, ARG68F, ARG87B, ASN38B, ASN41B, ASP49B, ASP94F, CYS64F, CYS67F, GLN53B, GLU133F, GLU43B, GLU95F, GLY127F, GLY130F, GLY149F, GLY42B, GLY52B, ILE93F, LEU115B, LEU37B, LEU40B, LEU50B, LEU89B, LYS120F, LYS124F, LYS146F, LYS46B, LYS51B, PRO113B, PRO132F, PRO65F, PRO66F, PRO85B, SER48B, THR128F, THR129F, THR134F, THR36B, THR39B, TRP63F, VAL131F, VAL147F, VAL148F, VAL44B, VAL45B
• C-E: ASP119E, GLU29C, GLU95E, HIS140C