3A13

crystal structure of type iii rubisco sp4 mutant complexed with 2-cabp and activated with ca

• Total interactions analyzed: 45
• Total true interactions: 14
• Strongest Interaction:
  • Chains: F-G
  • Int. Res.: 31
  • Norm. En. per Res.: -2.5321
• 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	-9.388	-12.1521	-55.6178	-77.1579	31	2	0	2295	4	18	11
A-E	-5.1185	-12.9068	-51.3347	-69.3599	29	1	0	2156	3	17	11
A-H	0.0	-3.0971	-16.0552	-19.1523	21	0	0	890	0	21	19
B-C	-8.3858	-10.6506	-56.8939	-75.9303	30	2	0	2309	3	17	12
C-D	0.0	-11.6148	-48.7032	-60.318	30	1	0	2074	3	17	11
C-G	0.0	0.0	-17.2869	-17.2869	15	0	0	719	0	12	10
D-E	-9.9233	-12.8559	-55.4889	-78.2681	33	1	0	2325	4	18	12
D-F	0.0	-1.7974	-11.9315	-13.7289	13	0	0	472	0	9	8
E-I	0.0	-5.8524	-20.6543	-26.5067	23	1	0	1041	0	25	22
F-G	-11.9358	-11.7185	-54.8395	-78.4938	31	2	0	2319	3	18	11
F-J	-4.5581	-12.9381	-52.0795	-69.5757	29	3	0	2163	3	17	11
G-H	-8.2245	-10.808	-56.1775	-75.2101	30	2	0	2270	4	18	12
H-I	0.0	-10.1728	-49.3858	-59.5586	30	3	0	2085	3	16	11
I-J	-10.0156	-13.2554	-56.4203	-79.6913	33	2	0	2356	4	19	12

Interface residues

• A-B: ALA99A, 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: ALA402A, ALA403A, ALA425H, ARG406A, ASN183A, ASP179A, GLN410A, GLU219A, GLU222A, GLU423H, GLU430A, GLU430H, HIS428H, LYS426H, LYS429A, LYS429H, SER182A, THR220A, THR427H, TYR178A, VAL216A
• B-C: ARG134B, ARG201C, ARG23B, ASN200C, ASP137B, GLU130B, GLU135B, GLU171C, GLU172C, 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, GLU130C, GLU135C, GLU171D, GLU172D, GLU204D, GLU98C, GLY167D, ILE133C, ILE208D, ILE359C, LEU132C, LYS131C, LYS22C, LYS355C, PHE173D, PHE356C, PHE93C, PRO129C, PRO170D, PRO197D, SER169D, SER358C, TRP198D, TYR168D, TYR199D, TYR357C
• C-G: ALA425G, ASN218C, ASP214C, GLU217C, GLU219C, GLY221C, HIS428G, LYS215C, LYS426G, LYS429G, THR220C, THR427G, TYR178C, TYR424G, 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, PHE356D, PHE93D, PRO129D, PRO170E, PRO197E, SER169E, SER358D, TRP198E, TYR168E, TYR199E, TYR357D
• D-F: ASN218F, GLU219F, GLY221F, HIS428D, LYS215F, LYS426D, LYS429D, SER182F, THR220F, THR427D, TYR178F, TYR424D, VAL216F
• E-I: ALA402I, ALA425E, ALA432E, ARG406I, ASN183I, ASN218I, ASP179I, ASP422E, GLU219I, GLU222I, GLU423E, GLU430E, GLY184I, GLY221I, HIS428E, LYS215I, LYS426E, LYS429E, SER182I, THR220I, THR427E, TYR178I, VAL216I
• 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, 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: 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: ARG134H, ARG201I, ARG23H, ASN200I, GLU130H, GLU135H, GLU171I, GLU172I, GLU204I, GLU98H, GLY167I, ILE133H, ILE208I, ILE359H, LEU132H, LYS131H, LYS22H, LYS355H, PHE173I, PHE356H, PHE93H, PRO129H, PRO170I, PRO197I, SER169I, SER358H, TRP198I, TYR168I, TYR199I, TYR357H
• I-J: ALA99I, ARG134I, ARG201J, ARG23I, ASN200J, ASP137I, GLU130I, GLU135I, GLU171J, GLU172J, GLU204J, GLU98I, GLY167J, ILE133I, ILE208J, ILE359I, LEU132I, LYS131I, LYS22I, LYS355I, PHE136I, PHE173J, PHE356I, PHE93I, PRO129I, PRO170J, PRO197J, SER169J, SER358I, TRP198J, TYR168J, TYR199J, TYR357I