3LOR

the crystal structure of a thiol-disulfide isomerase from corynebacterium glutamicum to 2.2a

• Total interactions analyzed: 6
• Total true interactions: 4
• Strongest Interaction:
  • Chains: B-C
  • Int. Res.: 54
  • Norm. En. per Res.: -3.7059
• 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-B	0.0	43.8516	-152.88	-109.0285	60	6	9	6363	0	20	19
A-D	-2.9271	2.781	-193.396	-193.542	55	4	5	7224	4	11	6
B-C	-18.9006	-0.38	-180.84	-200.1206	54	9	5	7276	4	11	6
C-D	0.0	30.0148	-140.738	-110.7232	62	1	9	5825	1	17	17

Interface residues

• A-B: ALA84A, ALA84B, ASN47A, ASN47B, ASP78A, ASP78B, ASP90A, ASP90B, CYS42A, CYS42B, CYS45A, CYS45B, GLN39A, GLN39B, GLN54A, GLN54B, GLU75A, GLU75B, GLU83A, GLU83B, GLU91A, GLU91B, GLY44A, GLY44B, GLY93A, GLY93B, HIS48A, HIS48B, HIS76A, HIS76B, HIS77A, HIS77B, ILE89A, ILE89B, LEU41A, LEU41B, LEU85A, LEU85B, LYS86A, LYS86B, PHE74A, PHE74B, PHE88A, PHE88B, PHE92A, PHE92B, PRO43A, PRO43B, PRO51A, PRO51B, PRO82A, PRO82B, THR81A, THR81B, VAL46A, VAL46B, VAL79A, VAL79B, VAL87A, VAL87B
• A-D: ARG134A, ARG134D, ARG58A, ARG58D, ASP142A, ASP142D, ASP143A, ASP143D, GLN52A, GLN52D, GLN64A, GLN64D, GLU156A, GLU156D, GLY147A, GLY147D, GLY151A, GLY151D, HIS57A, HIS57D, ILE56A, ILE56D, ILE60A, ILE60D, LEU126A, LEU146A, LEU146D, LEU148A, LEU148D, LEU149A, LEU149D, LEU150A, LEU150D, LEU153A, LEU153D, LEU154A, LEU154D, LYS55A, LYS55D, PHE144A, PHE144D, SER152A, SER152D, SER155A, SER155D, THR157A, THR157D, VAL145A, VAL145D, VAL32A, VAL34A, VAL34D, VAL65A, VAL65D, VAL67A
• B-C: ARG129B, ARG134B, ARG134C, ARG58B, ASP142B, ASP142C, ASP143B, ASP143C, GLN52B, GLN52C, GLN64C, GLU156B, GLU156C, GLY147B, GLY147C, GLY151B, GLY151C, HIS57B, HIS57C, ILE56B, ILE56C, ILE60B, ILE60C, LEU126C, LEU146B, LEU146C, LEU148B, LEU148C, LEU149B, LEU149C, LEU150B, LEU150C, LEU153B, LEU153C, LEU154B, LEU154C, LYS55B, LYS55C, PHE144B, PHE144C, SER152B, SER152C, SER155B, SER155C, THR157B, THR157C, VAL141C, VAL145B, VAL145C, VAL32C, VAL34B, VAL34C, VAL65B, VAL65C
• C-D: ALA84C, ALA84D, ASN47C, ASN47D, ASP78C, ASP78D, ASP90C, ASP90D, CYS42C, CYS42D, CYS45C, CYS45D, GLN39C, GLN39D, GLN54C, GLN54D, GLU75C, GLU75D, GLU83C, GLU83D, GLU91C, GLU91D, GLY44C, GLY44D, GLY93C, GLY93D, HIS48C, HIS48D, HIS76C, HIS76D, HIS77C, HIS77D, ILE89C, ILE89D, LEU41C, LEU41D, LEU85C, LEU85D, LYS86C, LYS86D, PHE74C, PHE74D, PHE88C, PHE88D, PHE92C, PHE92D, PRO43C, PRO43D, PRO51C, PRO51D, PRO82D, THR121C, THR121D, THR81C, THR81D, VAL46C, VAL46D, VAL73C, VAL79C, VAL79D, VAL87C, VAL87D