GHK

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
O2	S1	doub	1.42Å	1.48Å
C2	C3	doub	1.38Å	1.39Å	Aromatic
C2	C1	sing	1.38Å	1.34Å	Aromatic
S1	O1	doub	1.42Å	1.50Å
S1	C1	sing	1.76Å	1.76Å
S1	N1	sing	1.66Å	1.73Å
O4	S2	doub	1.42Å	1.51Å
C3	C4	sing	1.40Å	1.38Å	Aromatic
C1	C6	doub	1.38Å	1.43Å	Aromatic
O3	S2	doub	1.42Å	1.50Å
S2	C10	sing	1.76Å	1.79Å
S2	N2	sing	1.66Å	1.70Å
C11	C12	doub	1.38Å	1.41Å	Aromatic
C11	C10	sing	1.38Å	1.41Å	Aromatic
C4	C7	sing	1.43Å	1.39Å
C4	C5	doub	1.40Å	1.37Å	Aromatic
C12	C13	sing	1.38Å	1.39Å	Aromatic
C10	C15	doub	1.38Å	1.42Å	Aromatic
C7	C8	trip	1.17Å	1.16Å
C6	C5	sing	1.38Å	1.39Å	Aromatic
C8	C9	sing	1.47Å	1.46Å
N2	C9	sing	1.46Å	1.45Å
C13	C14	doub	1.38Å	1.38Å	Aromatic
C15	C14	sing	1.38Å	1.40Å	Aromatic
C14	H1	sing	1.08Å	1.08Å
C5	H2	sing	1.08Å	1.08Å
C6	H3	sing	1.08Å	1.08Å
C11	H4	sing	1.08Å	1.08Å
C9	H5	sing	1.09Å	1.10Å
C9	H6	sing	1.09Å	1.10Å
C12	H7	sing	1.08Å	1.08Å
C13	H8	sing	1.08Å	1.08Å
N1	H9	sing	0.97Å	1.00Å
N1	H10	sing	0.97Å	1.00Å
N2	H11	sing	0.97Å	1.00Å
C3	H12	sing	1.08Å	1.08Å
C2	H13	sing	1.08Å	1.08Å
C15	H14	sing	1.08Å	1.08Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
O2	S1	O1	114.2°	123.2°
O2	S1	C1	108.9°	106.4°
O2	S1	N1	108.4°	106.4°
C3	C2	C1	121.3°	120.1°
C2	C3	C4	120.0°	119.9°
C2	C3	H12	120.0°	120.1°
C3	C2	H13	119.3°	119.9°
C2	C1	S1	118.8°	119.8°
C2	C1	C6	119.5°	120.3°
C1	C2	H13	119.4°	120.0°
O1	S1	C1	103.4°	106.4°
O1	S1	N1	115.4°	106.4°
C1	S1	N1	106.0°	107.2°
S1	C1	C6	121.4°	119.8°
S1	N1	H9	109.5°	120.0°
S1	N1	H10	109.5°	120.0°
O4	S2	O3	117.0°	123.2°
O4	S2	C10	113.0°	106.4°
O4	S2	N2	107.4°	106.4°
C3	C4	C7	119.2°	120.1°
C3	C4	C5	119.9°	119.7°
C4	C3	H12	120.0°	120.1°
C1	C6	C5	118.6°	120.1°
C1	C6	H3	120.7°	120.0°
O3	S2	C10	104.9°	106.4°
O3	S2	N2	101.6°	106.4°
C10	S2	N2	112.5°	107.2°
S2	C10	C11	120.6°	120.0°
S2	C10	C15	120.0°	120.0°
S2	N2	C9	109.1°	120.0°
S2	N2	H11	109.6°	120.0°
C12	C11	C10	121.4°	120.0°
C11	C12	C13	118.6°	120.0°
C12	C11	H4	119.3°	120.0°
C11	C12	H7	120.6°	120.0°
C11	C10	C15	119.3°	120.0°
C10	C11	H4	119.3°	120.0°
C7	C4	C5	120.8°	120.2°
C4	C7	C8	172.5°	180.0°
C4	C5	C6	120.7°	119.9°
C4	C5	H2	119.7°	120.0°
C12	C13	C14	120.2°	120.0°
C13	C12	H7	120.7°	120.0°
C12	C13	H8	119.9°	119.9°
C10	C15	C14	117.8°	120.0°
C10	C15	H14	121.1°	120.0°
C7	C8	C9	173.7°	180.0°
C6	C5	H2	119.7°	120.1°
C5	C6	H3	120.7°	119.9°
C8	C9	N2	106.5°	109.5°
C8	C9	H5	110.2°	109.4°
C8	C9	H6	110.2°	109.5°
N2	C9	H5	110.2°	109.4°
N2	C9	H6	110.2°	109.5°
C9	N2	H11	109.5°	120.0°
C13	C14	C15	122.5°	120.0°
C13	C14	H1	118.7°	120.0°
C14	C13	H8	119.9°	120.0°
C15	C14	H1	118.7°	120.0°
C14	C15	H14	121.1°	120.0°
H5	C9	H6	109.5°	109.5°
H9	N1	H10	109.5°	120.0°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
O2	S1	C1	C2	16.1°	23.3°
O2	S1	O1	C1	118.2°	123.0°
O2	S1	O1	N1	126.6°	122.9°
O2	S1	C1	N1	116.5°	113.5°
O2	S1	C1	C6	158.7°	156.4°
O2	S1	N1	H9	180.0°	126.5°
O2	S1	N1	H10	60.0°	53.6°
C3	C2	C1	H13	180.0°	179.9°
C3	C2	C1	S1	177.8°	180.0°
C2	C3	C4	H12	180.0°	180.0°
C3	C2	C1	C6	2.9°	0.2°
C2	C3	C4	C7	176.6°	180.0°
C2	C3	C4	C5	0.0°	0.2°
C2	C1	S1	O1	105.7°	156.2°
C2	C1	S1	C6	174.8°	179.8°
C2	C1	S1	N1	132.6°	90.2°
C1	C2	C3	C4	1.3°	0.0°
C2	C1	C6	C5	3.3°	0.3°
C2	C1	C6	H3	176.7°	179.8°
C1	C2	C3	H12	178.7°	180.0°
O1	S1	C1	N1	121.7°	113.5°
O1	S1	C1	C6	79.5°	23.5°
O1	S1	N1	H9	50.6°	6.4°
O1	S1	N1	H10	69.4°	173.5°
S1	C1	C6	C5	178.1°	180.0°
S1	C1	C6	H3	1.9°	0.0°
C1	S1	N1	H9	63.2°	120.0°
C1	S1	N1	H10	176.8°	60.0°
S1	C1	C2	H13	2.2°	0.1°
N1	S1	C1	C6	42.2°	90.0°
S1	N1	H9	H10	120.0°	179.9°
O4	S2	O3	C10	126.1°	122.9°
O4	S2	O3	N2	116.6°	123.0°
O4	S2	C10	N2	121.8°	113.6°
O4	S2	C10	C11	15.7°	23.5°
O4	S2	C10	C15	164.8°	156.2°
O4	S2	N2	C9	55.5°	178.5°
O4	S2	N2	H11	64.4°	1.5°
C3	C4	C7	C5	176.6°	179.8°
C3	C4	C7	C8	76.2°	176.1°
C3	C4	C5	C6	0.5°	0.2°
C3	C4	C5	H2	179.5°	179.7°
C4	C3	C2	H13	178.7°	180.0°
C1	C6	C5	C4	2.1°	0.1°
C1	C6	C5	H3	180.0°	179.9°
C1	C6	C5	H2	177.9°	180.0°
C6	C1	C2	H13	177.1°	179.7°
O3	S2	C10	N2	109.6°	113.5°
O3	S2	C10	C11	144.3°	156.4°
O3	S2	C10	C15	36.2°	23.3°
O3	S2	N2	C9	178.9°	48.5°
O3	S2	N2	H11	59.0°	131.5°
S2	C10	C11	C12	179.3°	180.0°
S2	C10	C11	C15	179.5°	179.7°
C10	S2	N2	C9	69.4°	64.9°
S2	C10	C15	C14	179.8°	179.8°
S2	C10	C11	H4	0.7°	0.2°
C10	S2	N2	H11	170.6°	115.0°
S2	C10	C15	H14	0.2°	0.3°
N2	S2	C10	C11	106.1°	90.0°
N2	S2	C10	C15	73.4°	90.3°
S2	N2	C9	C8	112.3°	165.0°
S2	N2	C9	H11	119.9°	180.0°
S2	N2	C9	H5	7.3°	45.0°
S2	N2	C9	H6	128.2°	75.0°
C12	C11	C10	H4	180.0°	179.8°
C11	C12	C13	H7	180.0°	179.9°
C12	C11	C10	C15	0.2°	0.2°
C11	C12	C13	C14	4.6°	0.1°
C11	C12	C13	H8	175.4°	179.9°
C10	C11	C12	C13	2.8°	0.2°
C11	C10	C15	C14	0.7°	0.0°
C10	C11	C12	H7	177.2°	180.0°
C11	C10	C15	H14	179.3°	180.0°
C7	C4	C5	C6	177.1°	180.0°
C4	C7	C8	C9	11.7°	37.1°
C7	C4	C5	H2	2.9°	0.0°
C7	C4	C3	H12	3.4°	0.0°
C5	C4	C7	C8	100.4°	3.7°
C4	C5	C6	H2	180.0°	179.9°
C4	C5	C6	H3	177.9°	180.0°
C5	C4	C3	H12	180.0°	179.8°
C12	C13	C14	H8	180.0°	180.0°
C12	C13	C14	C15	3.8°	0.3°
C12	C13	C14	H1	176.2°	179.9°
C13	C12	C11	H4	177.2°	180.0°
C10	C15	C14	C13	1.1°	0.2°
C10	C15	C14	H14	180.0°	180.0°
C10	C15	C14	H1	178.9°	180.0°
C15	C10	C11	H4	179.8°	179.9°
C7	C8	C9	N2	168.9°	19.3°
C7	C8	C9	H5	49.4°	139.2°
C7	C8	C9	H6	71.6°	100.8°
C8	C9	N2	H5	119.5°	120.0°
C8	C9	N2	H6	119.6°	120.1°
C8	C9	H5	H6	121.4°	120.0°
C8	C9	N2	H11	7.7°	15.1°
N2	C9	H5	H6	121.4°	120.0°
C13	C14	C15	H1	180.0°	179.8°
C14	C13	C12	H7	175.4°	179.8°
C13	C14	C15	H14	178.9°	179.7°
C15	C14	C13	H8	176.2°	179.7°
H1	C14	C13	H8	3.8°	0.0°
H1	C14	C15	H14	1.1°	0.0°
H2	C5	C6	H3	2.1°	0.1°
H4	C11	C12	H7	2.8°	0.1°
H5	C9	N2	H11	127.2°	135.0°
H6	C9	N2	H11	111.9°	105.0°
H7	C12	C13	H8	4.6°	0.2°
H12	C3	C2	H13	1.2°	0.1°

Release date:	2018-12-26
Definition date:	2018-09-17
Last modified:	2018-12-21
Release status:	REL
Processing site:	RCSB
Derived from:	6HOD