IMF

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
CU	O1	sing	0.00Å	2.72Å
CU	O2	sing	0.00Å	34.97Å
CU	NEC	sing	0.00Å	2.06Å
CU	NEM	sing	0.00Å	2.00Å
CU	NEW	sing	0.00Å	34.97Å
CU	NE6	sing	0.00Å	34.97Å
O1	HO11	sing	0.00Å	0.95Å
O1	HO12	sing	0.00Å	0.95Å
O2	HO21	sing	0.00Å	0.00Å
O2	HO22	sing	0.00Å	0.00Å
CG1	CDC	doub	0.00Å	1.35Å	Aromatic
CG1	NDB	sing	0.00Å	1.38Å	Aromatic
CG1	HG1	sing	0.00Å	1.08Å
CDC	NEC	sing	0.00Å	1.38Å	Aromatic
CDC	HD21	sing	0.00Å	1.08Å
NDB	CEB	sing	0.00Å	1.32Å	Aromatic
NDB	HD11	sing	0.00Å	1.00Å
CEB	NEC	doub	0.00Å	1.32Å	Aromatic
CEB	H1E2	sing	0.00Å	1.08Å
CG2	CDM	doub	0.00Å	1.36Å	Aromatic
CG2	NDL	sing	0.00Å	1.38Å	Aromatic
CG2	HG2	sing	0.00Å	1.08Å
CDM	NEM	sing	0.00Å	1.38Å	Aromatic
CDM	HD22	sing	0.00Å	1.08Å
NDL	CEL	sing	0.00Å	1.32Å	Aromatic
NDL	HD12	sing	0.00Å	1.00Å
CEL	NEM	doub	0.00Å	1.32Å	Aromatic
CEL	H2E1	sing	0.00Å	1.08Å
CG3	CDW	doub	0.00Å	0.00Å	Aromatic
CG3	NDV	sing	0.00Å	0.00Å	Aromatic
CG3	HG3	sing	0.00Å	0.00Å
CDW	NEW	sing	0.00Å	0.00Å	Aromatic
CDW	HD23	sing	0.00Å	0.00Å
NDV	CEV	sing	0.00Å	0.00Å	Aromatic
NDV	HD13	sing	0.00Å	0.00Å
CEV	NEW	doub	0.00Å	0.00Å	Aromatic
CG4	CD6	doub	0.00Å	0.00Å	Aromatic
CG4	ND5	sing	0.00Å	0.00Å	Aromatic
CG4	HG4	sing	0.00Å	0.00Å
CD6	NE6	sing	0.00Å	0.00Å	Aromatic
CD6	HD24	sing	0.00Å	0.00Å
ND5	CE5	sing	0.00Å	0.00Å	Aromatic
ND5	HD14	sing	0.00Å	0.00Å
CE5	NE6	doub	0.00Å	0.00Å	Aromatic
CE5	H4E1	sing	0.00Å	0.00Å
HC1	CEV	sing	0.00Å	0.00Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
O1	CU	O2	46.9°	90.0°
O1	CU	NEC	94.8°	90.0°
O1	CU	NEM	76.3°	90.0°
O1	CU	NEW	46.9°	90.0°
O1	CU	NE6	46.9°	90.0°
CU	O1	HO11	109.5°	90.0°
CU	O1	HO12	109.5°	90.0°
O2	CU	NEC	49.1°	90.0°
O2	CU	NEM	94.7°	90.0°
O2	CU	NEW	0.0°	90.0°
O2	CU	NE6	0.0°	90.0°
CU	O2	HO21	90.0°	90.0°
CU	O2	HO22	90.0°	90.0°
NEC	CU	NEM	99.5°	90.0°
NEC	CU	NEW	49.1°	90.0°
NEC	CU	NE6	49.1°	90.0°
CU	NEC	CDC	125.9°	90.0°
CU	NEC	CEB	125.0°	90.0°
NEM	CU	NEW	94.7°	90.0°
NEM	CU	NE6	94.7°	90.0°
CU	NEM	CDM	128.1°	90.0°
CU	NEM	CEL	122.9°	90.0°
NEW	CU	NE6	0.0°	90.0°
CU	NEW	CDW	90.0°	90.0°
CU	NEW	CEV	90.0°	90.0°
CU	NE6	CD6	90.0°	90.0°
CU	NE6	CE5	90.0°	90.0°
HO11	O1	HO12	109.4°	90.0°
HO21	O2	HO22	90.0°	90.0°
CDC	CG1	NDB	106.1°	90.0°
CDC	CG1	HG1	127.0°	90.0°
CG1	CDC	NEC	107.2°	90.0°
CG1	CDC	HD21	126.4°	90.0°
NDB	CG1	HG1	127.0°	90.0°
CG1	NDB	CEB	109.5°	90.0°
CG1	NDB	HD11	125.2°	90.0°
NEC	CDC	HD21	126.4°	90.0°
CDC	NEC	CEB	108.9°	90.0°
CEB	NDB	HD11	125.2°	90.0°
NDB	CEB	NEC	108.3°	90.0°
NDB	CEB	H1E2	125.9°	90.0°
NEC	CEB	H1E2	125.8°	90.0°
CDM	CG2	NDL	106.1°	90.0°
CDM	CG2	HG2	127.0°	90.0°
CG2	CDM	NEM	107.2°	90.0°
CG2	CDM	HD22	126.4°	90.0°
NDL	CG2	HG2	127.0°	90.0°
CG2	NDL	CEL	109.5°	90.0°
CG2	NDL	HD12	125.3°	90.0°
NEM	CDM	HD22	126.4°	90.0°
CDM	NEM	CEL	108.9°	90.0°
CEL	NDL	HD12	125.2°	90.0°
NDL	CEL	NEM	108.3°	90.0°
NDL	CEL	H2E1	125.8°	90.0°
NEM	CEL	H2E1	125.8°	90.0°
CDW	CG3	NDV	90.0°	90.0°
CDW	CG3	HG3	90.0°	90.0°
CG3	CDW	NEW	90.0°	90.0°
CG3	CDW	HD23	90.0°	90.0°
NDV	CG3	HG3	90.0°	90.0°
CG3	NDV	CEV	90.0°	90.0°
CG3	NDV	HD13	90.0°	90.0°
NEW	CDW	HD23	90.0°	90.0°
CDW	NEW	CEV	90.0°	90.0°
CEV	NDV	HD13	90.0°	90.0°
NDV	CEV	NEW	90.0°	90.0°
NDV	CEV	HC1	90.0°	90.0°
NEW	CEV	HC1	90.0°	90.0°
CD6	CG4	ND5	90.0°	90.0°
CD6	CG4	HG4	90.0°	90.0°
CG4	CD6	NE6	90.0°	90.0°
CG4	CD6	HD24	90.0°	90.0°
ND5	CG4	HG4	90.0°	90.0°
CG4	ND5	CE5	90.0°	90.0°
CG4	ND5	HD14	90.0°	90.0°
NE6	CD6	HD24	90.0°	90.0°
CD6	NE6	CE5	90.0°	90.0°
CE5	ND5	HD14	90.0°	90.0°
ND5	CE5	NE6	90.0°	90.0°
ND5	CE5	H4E1	90.0°	90.0°
NE6	CE5	H4E1	90.0°	90.0°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
O1	CU	O2	NEC	164.7°	90.0°
O1	CU	O2	NEM	66.3°	90.0°
O1	CU	O2	NEW	90.0°	90.0°
O1	CU	O2	NE6	90.0°	90.0°
O1	CU	NEC	NEM	76.9°	90.0°
O1	CU	NEC	NEW	11.1°	90.0°
O1	CU	NEC	NE6	11.1°	90.0°
O1	CU	NEM	NEW	43.4°	90.0°
O1	CU	NEM	NE6	43.4°	90.0°
O1	CU	NEW	NE6	90.0°	90.0°
CU	O1	HO11	HO12	120.0°	90.0°
O1	CU	O2	HO21	90.0°	90.0°
O1	CU	O2	HO22	90.0°	90.0°
O1	CU	NEC	CDC	168.9°	90.0°
O1	CU	NEC	CEB	5.7°	90.0°
O1	CU	NEM	CDM	154.8°	90.0°
O1	CU	NEM	CEL	29.3°	90.0°
O1	CU	NEW	CDW	90.0°	90.0°
O1	CU	NEW	CEV	90.0°	90.0°
O1	CU	NE6	CD6	90.0°	90.0°
O1	CU	NE6	CE5	90.0°	90.0°
O2	CU	NEC	NEM	88.0°	90.0°
O2	CU	NEC	NEW	0.0°	90.0°
O2	CU	NEC	NE6	0.0°	90.0°
O2	CU	NEM	NEW	0.0°	90.0°
O2	CU	NEM	NE6	0.0°	90.0°
O2	CU	NEW	NE6	90.0°	90.0°
O2	CU	O1	HO11	180.0°	90.0°
O2	CU	O1	HO12	60.0°	90.0°
CU	O2	HO21	HO22	90.0°	90.0°
O2	CU	NEC	CDC	180.0°	90.0°
O2	CU	NEC	CEB	5.4°	90.0°
O2	CU	NEM	CDM	161.7°	90.0°
O2	CU	NEM	CEL	14.2°	90.0°
O2	CU	NEW	CDW	90.0°	90.0°
O2	CU	NEW	CEV	90.0°	90.0°
O2	CU	NE6	CD6	90.0°	90.0°
O2	CU	NE6	CE5	90.0°	90.0°
NEC	CU	NEM	NEW	49.3°	90.0°
NEC	CU	NEM	NE6	49.3°	90.0°
NEC	CU	NEW	NE6	90.0°	90.0°
NEC	CU	O1	HO11	168.5°	90.0°
NEC	CU	O1	HO12	71.5°	90.0°
NEC	CU	O2	HO21	90.0°	90.0°
NEC	CU	O2	HO22	90.0°	90.0°
CU	NEC	CDC	CG1	175.2°	90.0°
CU	NEC	CDC	CEB	175.3°	90.0°
CU	NEC	CDC	HD21	4.8°	90.0°
CU	NEC	CEB	NDB	175.3°	90.0°
CU	NEC	CEB	H1E2	4.7°	90.0°
NEC	CU	NEM	CDM	112.5°	90.0°
NEC	CU	NEM	CEL	63.4°	90.0°
NEC	CU	NEW	CDW	90.0°	90.0°
NEC	CU	NEW	CEV	90.0°	90.0°
NEC	CU	NE6	CD6	90.0°	90.0°
NEC	CU	NE6	CE5	90.0°	90.0°
NEM	CU	NEW	NE6	90.0°	90.0°
NEM	CU	O1	HO11	69.9°	90.0°
NEM	CU	O1	HO12	170.1°	90.0°
NEM	CU	O2	HO21	90.0°	90.0°
NEM	CU	O2	HO22	90.0°	90.0°
NEM	CU	NEC	CDC	92.0°	90.0°
NEM	CU	NEC	CEB	82.6°	90.0°
CU	NEM	CDM	CG2	176.5°	90.0°
CU	NEM	CDM	CEL	176.4°	90.0°
CU	NEM	CDM	HD22	3.6°	90.0°
CU	NEM	CEL	NDL	176.6°	90.0°
CU	NEM	CEL	H2E1	3.4°	90.0°
NEM	CU	NEW	CDW	90.0°	90.0°
NEM	CU	NEW	CEV	90.0°	90.0°
NEM	CU	NE6	CD6	90.0°	90.0°
NEM	CU	NE6	CE5	90.0°	90.0°
NEW	CU	O1	HO11	180.0°	90.0°
NEW	CU	O1	HO12	60.0°	90.0°
NEW	CU	O2	HO21	90.0°	90.0°
NEW	CU	O2	HO22	90.0°	90.0°
NEW	CU	NEC	CDC	180.0°	90.0°
NEW	CU	NEC	CEB	5.4°	90.0°
NEW	CU	NEM	CDM	161.7°	90.0°
NEW	CU	NEM	CEL	14.2°	90.0°
CU	NEW	CDW	CG3	90.0°	90.0°
CU	NEW	CDW	CEV	90.0°	90.0°
CU	NEW	CDW	HD23	90.0°	90.0°
CU	NEW	CEV	NDV	90.0°	90.0°
NEW	CU	NE6	CD6	90.0°	90.0°
NEW	CU	NE6	CE5	90.0°	90.0°
CU	NEW	CEV	HC1	90.0°	90.0°
NE6	CU	O1	HO11	180.0°	90.0°
NE6	CU	O1	HO12	60.0°	90.0°
NE6	CU	O2	HO21	90.0°	90.0°
NE6	CU	O2	HO22	90.0°	90.0°
NE6	CU	NEC	CDC	180.0°	90.0°
NE6	CU	NEC	CEB	5.4°	90.0°
NE6	CU	NEM	CDM	161.7°	90.0°
NE6	CU	NEM	CEL	14.2°	90.0°
NE6	CU	NEW	CDW	90.0°	90.0°
NE6	CU	NEW	CEV	90.0°	90.0°
CU	NE6	CD6	CG4	90.0°	90.0°
CU	NE6	CD6	CE5	90.0°	90.0°
CU	NE6	CD6	HD24	90.0°	90.0°
CU	NE6	CE5	ND5	90.0°	90.0°
CU	NE6	CE5	H4E1	90.0°	90.0°
CDC	CG1	NDB	HG1	180.0°	90.0°
CG1	CDC	NEC	HD21	180.0°	90.0°
CDC	CG1	NDB	CEB	0.1°	90.0°
CDC	CG1	NDB	HD11	179.9°	90.0°
CG1	CDC	NEC	CEB	0.1°	90.0°
NDB	CG1	CDC	NEC	0.1°	90.0°
NDB	CG1	CDC	HD21	179.9°	90.0°
CG1	NDB	CEB	HD11	180.0°	90.0°
CG1	NDB	CEB	NEC	0.0°	90.0°
CG1	NDB	CEB	H1E2	180.0°	90.0°
HG1	CG1	CDC	NEC	179.9°	90.0°
HG1	CG1	CDC	HD21	0.1°	90.0°
HG1	CG1	NDB	CEB	179.9°	90.0°
HG1	CG1	NDB	HD11	0.1°	90.0°
CDC	NEC	CEB	NDB	0.1°	90.0°
CDC	NEC	CEB	H1E2	179.9°	90.0°
HD21	CDC	NEC	CEB	179.9°	90.0°
NDB	CEB	NEC	H1E2	180.0°	90.0°
HD11	NDB	CEB	NEC	180.0°	90.0°
HD11	NDB	CEB	H1E2	0.0°	90.0°
CDM	CG2	NDL	HG2	180.0°	90.0°
CG2	CDM	NEM	HD22	180.0°	90.0°
CDM	CG2	NDL	CEL	0.1°	90.0°
CDM	CG2	NDL	HD12	179.9°	90.0°
CG2	CDM	NEM	CEL	0.1°	90.0°
NDL	CG2	CDM	NEM	0.1°	90.0°
NDL	CG2	CDM	HD22	179.9°	90.0°
CG2	NDL	CEL	HD12	180.0°	90.0°
CG2	NDL	CEL	NEM	0.1°	90.0°
CG2	NDL	CEL	H2E1	179.9°	90.0°
HG2	CG2	CDM	NEM	179.9°	90.0°
HG2	CG2	CDM	HD22	0.1°	90.0°
HG2	CG2	NDL	CEL	179.9°	90.0°
HG2	CG2	NDL	HD12	0.1°	90.0°
CDM	NEM	CEL	NDL	0.0°	90.0°
CDM	NEM	CEL	H2E1	180.0°	90.0°
HD22	CDM	NEM	CEL	179.9°	90.0°
NDL	CEL	NEM	H2E1	180.0°	90.0°
HD12	NDL	CEL	NEM	179.9°	90.0°
HD12	NDL	CEL	H2E1	0.1°	90.0°
CDW	CG3	NDV	HG3	90.0°	90.0°
CG3	CDW	NEW	HD23	90.0°	90.0°
CDW	CG3	NDV	CEV	90.0°	90.0°
CDW	CG3	NDV	HD13	90.0°	90.0°
CG3	CDW	NEW	CEV	90.0°	90.0°
NDV	CG3	CDW	NEW	90.0°	90.0°
NDV	CG3	CDW	HD23	90.0°	90.0°
CG3	NDV	CEV	HD13	90.0°	90.0°
CG3	NDV	CEV	NEW	90.0°	90.0°
CG3	NDV	CEV	HC1	90.0°	90.0°
HG3	CG3	CDW	NEW	90.0°	90.0°
HG3	CG3	CDW	HD23	90.0°	90.0°
HG3	CG3	NDV	CEV	90.0°	90.0°
HG3	CG3	NDV	HD13	90.0°	90.0°
CDW	NEW	CEV	NDV	90.0°	90.0°
CDW	NEW	CEV	HC1	90.0°	90.0°
HD23	CDW	NEW	CEV	90.0°	90.0°
NDV	CEV	NEW	HC1	90.0°	90.0°
HD13	NDV	CEV	NEW	90.0°	90.0°
HD13	NDV	CEV	HC1	90.0°	90.0°
CD6	CG4	ND5	HG4	90.0°	90.0°
CG4	CD6	NE6	HD24	90.0°	90.0°
CD6	CG4	ND5	CE5	90.0°	90.0°
CD6	CG4	ND5	HD14	90.0°	90.0°
CG4	CD6	NE6	CE5	90.0°	90.0°
ND5	CG4	CD6	NE6	90.0°	90.0°
ND5	CG4	CD6	HD24	90.0°	90.0°
CG4	ND5	CE5	HD14	90.0°	90.0°
CG4	ND5	CE5	NE6	90.0°	90.0°
CG4	ND5	CE5	H4E1	90.0°	90.0°
HG4	CG4	CD6	NE6	90.0°	90.0°
HG4	CG4	CD6	HD24	90.0°	90.0°
HG4	CG4	ND5	CE5	90.0°	90.0°
HG4	CG4	ND5	HD14	90.0°	90.0°
CD6	NE6	CE5	ND5	90.0°	90.0°
CD6	NE6	CE5	H4E1	90.0°	90.0°
HD24	CD6	NE6	CE5	90.0°	90.0°
ND5	CE5	NE6	H4E1	90.0°	90.0°
HD14	ND5	CE5	NE6	90.0°	90.0°
HD14	ND5	CE5	H4E1	90.0°	90.0°

Definition date:	2001-10-08
Last modified:	2023-09-23
Release status:	REL
Processing site:	RCSB
Derived from:	1JZG