3A12

crystal structure of type iii rubisco complexed with 2-cabp

• Total interactions analyzed: 45
• Total true interactions: 15
• Strongest Interaction:
  • Chains: A-B
  • Int. Res.: 30
  • Norm. En. per Res.: -2.7224
• 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	-14.8752	-12.4297	-54.3665	-81.6714	30	2	0	2287	3	16	12
A-E	-8.9078	-12.7066	-53.7473	-75.3617	29	3	0	2184	3	16	12
A-H	0.0	0.0	-0.0246	-0.0246	6	0	0	11	0	5	6
B-C	-5.0514	-10.4162	-53.0715	-68.5391	32	3	0	2317	3	19	12
C-D	-7.9742	-10.4892	-51.9388	-70.4022	30	2	0	2144	3	16	12
C-G	0.0	-2.3933	-18.1038	-20.4971	14	0	0	818	0	11	11
D-E	-4.0196	-12.863	-54.8713	-71.7539	32	2	0	2285	3	17	12
D-F	-2.8338	1.4414	-26.8877	-28.2801	18	1	0	1018	0	12	13
E-H	0.0	0.0	-0.0055	-0.0055	4	0	0	2	0	4	3
E-I	0.0	0.0	-0.0047	-0.0047	2	0	0	4	0	3	4
F-G	-13.8483	-13.1862	-53.1842	-80.2187	31	2	0	2271	4	16	12
F-J	-4.2104	-11.9781	-54.0692	-70.2577	30	2	0	2196	3	17	12
G-H	-12.1185	-12.9489	-55.1296	-80.1971	31	4	0	2278	3	15	12
H-I	-8.5537	-10.538	-48.3516	-67.4433	31	2	0	2100	3	16	12
I-J	-7.2546	-12.9007	-53.0051	-73.1603	31	0	0	2256	3	17	12

Interface residues

• A-B: ARG134A, ARG201B, ARG23A, ASN200B, ASP137A, GLU130A, GLU135A, GLU171B, GLU172B, GLU204B, GLU98A, GLY167B, ILE133A, ILE208B, ILE359A, LEU132A, LYS131A, LYS22A, LYS355A, PHE173B, PHE93A, PRO129A, PRO170B, PRO197B, SER169B, SER358A, TRP198B, TYR168B, TYR199B, TYR357A
• A-E: ARG134E, ARG201A, ARG23E, ASN200A, GLU130E, GLU135E, GLU171A, GLU172A, GLU204A, GLU98E, GLY167A, ILE133E, ILE208A, ILE359E, LEU132E, LYS131E, LYS22E, LYS355E, PHE173A, PHE93E, PRO129E, PRO170A, PRO197A, SER169A, SER358E, TRP198A, TYR168A, TYR199A, TYR357E
• A-H: GLU219A, LYS215A, LYS426H, LYS429H, THR427H, TYR178A
• B-C: ALA99B, ARG134B, ARG201C, ARG23B, ASN200C, ASP137B, GLU130B, GLU135B, GLU171C, GLU172C, GLU174C, GLU204C, GLU98B, GLY167C, ILE133B, ILE208C, ILE359B, LEU132B, LYS131B, LYS22B, LYS355B, PHE173C, PHE93B, PRO129B, PRO170C, PRO197C, SER169C, SER358B, TRP198C, TYR168C, TYR199C, TYR357B
• C-D: ARG134C, ARG201D, ARG23C, ASN200D, ASP137C, GLU130C, GLU135C, GLU171D, GLU172D, GLU204D, GLU98C, GLY167D, ILE133C, ILE208D, ILE359C, LEU132C, LYS131C, LYS22C, LYS355C, PHE173D, PHE93C, PRO129C, PRO170D, PRO197D, SER169D, SER358C, TRP198D, TYR168D, TYR199D, TYR357C
• C-G: ALA425G, ASN218C, GLU151C, GLU217C, GLU219C, GLU222C, GLU423G, GLY221C, HIS428G, LYS223C, LYS426G, THR220C, THR427G, VAL216C
• D-E: ALA99D, ARG134D, ARG201E, ARG23D, ASN200E, ASP137D, GLU130D, GLU135D, GLU171E, GLU172E, GLU204E, GLU98D, GLY167E, ILE133D, ILE208E, ILE359D, LEU132D, LYS131D, LYS22D, LYS355D, PHE136D, PHE173E, PHE93D, PRO129D, PRO170E, PRO197E, SER169E, SER358D, TRP198E, TYR168E, TYR199E, TYR357D
• D-F: ALA425D, ASN218F, ASP422D, GLU151F, GLU217F, GLU219F, GLU222F, GLU423D, GLY221F, HIS428D, ILE419D, LYS215F, LYS223F, LYS426D, THR220F, THR427D, TYR424D, VAL216F
• E-H: ASP154E, ASP154H, GLN417E, GLN417H
• E-I: GLU219I, LYS429E
• F-G: ALA99F, ARG134F, ARG201G, ARG23F, ASN200G, ASP137F, GLU130F, GLU135F, GLU171G, GLU172G, GLU204G, GLU98F, GLY167G, ILE133F, ILE208G, ILE359F, LEU132F, LYS131F, LYS22F, LYS355F, PHE173G, PHE93F, PRO129F, PRO170G, PRO197G, SER169G, SER358F, TRP198G, TYR168G, TYR199G, TYR357F
• F-J: ARG134J, ARG201F, ARG23J, ASN200F, ASP137J, GLU130J, GLU135J, GLU171F, GLU172F, GLU204F, GLU98J, GLY167F, ILE133J, ILE208F, ILE359J, LEU132J, LYS131J, LYS22J, LYS355J, PHE173F, PHE93J, PRO129J, PRO170F, PRO197F, SER169F, SER358J, TRP198F, TYR168F, TYR199F, TYR357J
• G-H: ALA99G, ARG134G, ARG201H, ARG23G, ASN200H, ASP137G, GLU130G, GLU135G, GLU171H, GLU172H, GLU204H, GLU98G, GLY167H, ILE133G, ILE208H, ILE359G, LEU132G, LYS131G, LYS22G, LYS355G, PHE173H, PHE93G, PRO129G, PRO170H, PRO197H, SER169H, SER358G, TRP198H, TYR168H, TYR199H, TYR357G
• H-I: ALA99H, ARG134H, ARG201I, ARG23H, ASN200I, ASP137H, GLU130H, GLU135H, GLU171I, GLU172I, GLU204I, GLU98H, GLY167I, ILE133H, ILE208I, ILE359H, LEU132H, LYS131H, LYS22H, LYS355H, PHE173I, PHE93H, PRO129H, PRO170I, PRO197I, SER169I, SER358H, TRP198I, TYR168I, TYR199I, TYR357H
• I-J: ARG134I, ARG201J, ARG23I, ASN200J, ASP137I, GLU130I, GLU135I, GLU171J, GLU172J, GLU204J, GLU98I, GLY167J, ILE133I, ILE208J, ILE359I, LEU132I, LYS131I, LYS22I, LYS355I, PHE136I, PHE173J, PHE93I, PRO129I, PRO170J, PRO197J, SER169J, SER358I, TRP198J, TYR168J, TYR199J, TYR357I