4TZ

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
S2	O1	doub	1.42Å	1.42Å
S2	O2	doub	1.42Å	1.43Å
S2	O3	sing	1.52Å	1.60Å
S2	N1	sing	1.66Å	1.55Å
O3	C14	sing	1.36Å	1.38Å
N1	HN11	sing	0.97Å	1.02Å
N1	HN12	sing	0.97Å	1.02Å
N2	N3	sing	1.40Å	1.43Å
N2	C3	sing	1.39Å	1.50Å
N2	C10	sing	1.47Å	1.52Å
N3	C1	sing	1.35Å	1.38Å	Aromatic
N3	C2	sing	1.35Å	1.38Å	Aromatic
N4	N5	sing	1.29Å	1.39Å	Aromatic
N4	C1	doub	1.30Å	1.30Å	Aromatic
N5	C2	doub	1.31Å	1.30Å	Aromatic
N6	C9	trip	1.14Å	1.15Å
C1	H1	sing	1.08Å	1.10Å
C2	H2	sing	1.08Å	1.10Å
C3	C4	doub	1.39Å	1.48Å	Aromatic
C3	C8	sing	1.39Å	1.47Å	Aromatic
C4	C5	sing	1.38Å	1.42Å	Aromatic
C4	H4	sing	1.08Å	1.10Å
C5	C6	doub	1.40Å	1.44Å	Aromatic
C5	H5	sing	1.08Å	1.10Å
C6	C7	sing	1.40Å	1.44Å	Aromatic
C6	C9	sing	1.43Å	1.43Å
C7	C8	doub	1.38Å	1.43Å	Aromatic
C7	H7	sing	1.08Å	1.10Å
C8	H8	sing	1.08Å	1.10Å
C10	C11	sing	1.51Å	1.53Å
C10	H101	sing	1.09Å	1.11Å
C10	H102	sing	1.09Å	1.12Å
C11	C12	doub	1.38Å	1.45Å	Aromatic
C11	C16	sing	1.38Å	1.43Å	Aromatic
C12	C13	sing	1.38Å	1.42Å	Aromatic
C12	H12	sing	1.08Å	1.10Å
C13	C14	doub	1.39Å	1.43Å	Aromatic
C13	H13	sing	1.08Å	1.10Å
C14	C15	sing	1.39Å	1.44Å	Aromatic
C15	C16	doub	1.38Å	1.43Å	Aromatic
C15	H15	sing	1.08Å	1.10Å
C16	H16	sing	1.08Å	1.10Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
O1	S2	O2	119.9°	125.4°
O1	S2	O3	102.8°	105.7°
O1	S2	N1	108.7°	105.8°
O2	S2	O3	103.7°	105.8°
O2	S2	N1	112.5°	105.7°
O3	S2	N1	108.1°	107.4°
S2	O3	C14	122.4°	106.8°
S2	N1	HN11	112.5°	119.9°
S2	N1	HN12	108.7°	120.0°
O3	C14	C13	120.3°	120.0°
O3	C14	C15	119.2°	120.1°
HN11	N1	HN12	112.5°	120.0°
N3	N2	C3	119.1°	120.0°
N3	N2	C10	112.2°	120.0°
N2	N3	C1	126.9°	127.0°
N2	N3	C2	128.5°	127.0°
C3	N2	C10	126.6°	120.0°
N2	C3	C4	122.4°	119.9°
N2	C3	C8	121.7°	119.9°
N2	C10	C11	113.6°	109.4°
N2	C10	H101	110.7°	109.5°
N2	C10	H102	110.7°	109.4°
C1	N3	C2	104.6°	106.0°
N3	C1	N4	110.1°	107.3°
N3	C1	H1	127.3°	126.3°
N3	C2	N5	110.0°	107.3°
N3	C2	H2	127.5°	126.4°
N5	N4	C1	107.5°	109.7°
N4	N5	C2	107.8°	109.7°
N4	C1	H1	122.5°	126.3°
N5	C2	H2	122.5°	126.3°
N6	C9	C6	178.2°	179.9°
C4	C3	C8	115.8°	120.2°
C3	C4	C5	121.9°	120.1°
C3	C4	H4	121.0°	120.0°
C3	C8	C7	121.8°	120.0°
C3	C8	H8	120.5°	120.0°
C5	C4	H4	117.1°	119.9°
C4	C5	C6	120.6°	119.9°
C4	C5	H5	119.3°	120.1°
C6	C5	H5	120.1°	120.0°
C5	C6	C7	119.2°	119.9°
C5	C6	C9	120.9°	120.1°
C7	C6	C9	119.9°	120.1°
C6	C7	C8	120.7°	119.9°
C6	C7	H7	120.1°	120.1°
C8	C7	H7	119.2°	120.0°
C7	C8	H8	117.8°	120.0°
C11	C10	H101	110.7°	109.5°
C11	C10	H102	110.7°	109.5°
C10	C11	C12	120.0°	120.0°
C10	C11	C16	120.2°	119.9°
H101	C10	H102	99.6°	109.5°
C12	C11	C16	119.8°	120.1°
C11	C12	C13	120.1°	120.1°
C11	C12	H12	121.0°	120.0°
C11	C16	C15	119.9°	120.1°
C11	C16	H16	120.1°	120.0°
C13	C12	H12	118.8°	120.0°
C12	C13	C14	119.9°	119.9°
C12	C13	H13	119.6°	120.0°
C14	C13	H13	120.5°	120.1°
C13	C14	C15	120.5°	119.9°
C14	C15	C16	119.8°	120.0°
C14	C15	H15	120.3°	120.0°
C16	C15	H15	119.9°	120.1°
C15	C16	H16	120.0°	120.0°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
O1	S2	O2	O3	113.8°	123.1°
O1	S2	O2	N1	129.6°	123.2°
O1	S2	O3	N1	114.8°	112.7°
O1	S2	O3	C14	175.4°	22.6°
O1	S2	N1	HN11	54.8°	67.4°
O1	S2	N1	HN12	180.0°	112.2°
O2	S2	O3	N1	119.6°	112.5°
O2	S2	O3	C14	59.1°	157.4°
O2	S2	N1	HN11	80.4°	67.5°
O2	S2	N1	HN12	44.8°	113.0°
O3	S2	N1	HN11	165.7°	179.9°
O3	S2	N1	HN12	69.0°	0.4°
S2	O3	C14	C13	90.8°	90.1°
S2	O3	C14	C15	89.6°	90.3°
N1	S2	O3	C14	60.5°	90.0°
S2	N1	HN11	HN12	123.1°	179.5°
O3	C14	C13	C12	179.4°	179.9°
O3	C14	C13	C15	179.5°	179.6°
O3	C14	C13	H13	0.6°	0.1°
O3	C14	C15	C16	179.5°	179.8°
O3	C14	C15	H15	0.6°	0.3°
N3	N2	C3	C10	162.4°	180.0°
N2	N3	C1	C2	179.6°	179.7°
N2	N3	C1	N4	179.7°	179.9°
N2	N3	C2	N5	179.7°	179.9°
N2	N3	C1	H1	0.3°	0.0°
N2	N3	C2	H2	0.3°	0.3°
N3	N2	C3	C4	162.1°	95.8°
N3	N2	C3	C8	17.9°	83.9°
N3	N2	C10	C11	135.5°	90.0°
N3	N2	C10	H101	10.2°	30.0°
N3	N2	C10	H102	99.3°	150.0°
C3	N2	N3	C1	96.5°	174.6°
C3	N2	N3	C2	84.0°	5.1°
N2	C3	C4	C8	180.0°	179.7°
N2	C3	C4	C5	180.0°	179.7°
N2	C3	C4	H4	0.0°	0.3°
N2	C3	C8	C7	180.0°	180.0°
N2	C3	C8	H8	0.0°	0.0°
C3	N2	C10	C11	61.1°	90.0°
C3	N2	C10	H101	173.6°	150.0°
C3	N2	C10	H102	64.1°	30.0°
C10	N2	N3	C1	98.7°	5.4°
C10	N2	N3	C2	80.8°	174.9°
C10	N2	C3	C4	0.3°	84.2°
C10	N2	C3	C8	179.7°	96.1°
N2	C10	C11	H101	125.3°	120.0°
N2	C10	C11	H102	125.3°	119.9°
N2	C10	H101	H102	116.6°	120.0°
N2	C10	C11	C12	47.2°	90.0°
N2	C10	C11	C16	132.0°	90.0°
N3	C1	N4	N5	0.1°	0.0°
N3	C1	N4	H1	180.0°	180.0°
C1	N3	C2	N5	0.1°	0.3°
C1	N3	C2	H2	179.9°	180.0°
N3	C2	N5	N4	0.0°	0.4°
C2	N3	C1	N4	0.1°	0.2°
N3	C2	N5	H2	180.0°	179.7°
C2	N3	C1	H1	179.9°	179.8°
N5	N4	C1	H1	180.0°	180.0°
N4	N5	C2	H2	179.9°	180.0°
C1	N4	N5	C2	0.0°	0.3°
N6	C9	C6	C5	104.5°	105.7°
N6	C9	C6	C7	75.4°	74.4°
C3	C4	C5	H4	180.0°	179.4°
C3	C4	C5	C6	0.0°	0.5°
C3	C4	C5	H5	180.0°	179.8°
C4	C3	C8	C7	0.0°	0.3°
C4	C3	C8	H8	180.0°	179.8°
C8	C3	C4	C5	0.0°	0.5°
C8	C3	C4	H4	180.0°	180.0°
C3	C8	C7	C6	0.0°	0.0°
C3	C8	C7	H8	180.0°	180.0°
C3	C8	C7	H7	180.0°	180.0°
C4	C5	C6	H5	180.0°	179.7°
C4	C5	C6	C7	0.0°	0.3°
C4	C5	C6	C9	179.9°	179.8°
H4	C4	C5	C6	180.0°	180.0°
H4	C4	C5	H5	0.1°	0.3°
C5	C6	C7	C9	179.9°	179.9°
C5	C6	C7	C8	0.0°	0.0°
C5	C6	C7	H7	180.0°	180.0°
H5	C5	C6	C7	179.9°	180.0°
H5	C5	C6	C9	0.1°	0.1°
C6	C7	C8	H7	180.0°	180.0°
C6	C7	C8	H8	180.0°	180.0°
C9	C6	C7	C8	179.9°	179.9°
C9	C6	C7	H7	0.1°	0.0°
H7	C7	C8	H8	0.0°	0.0°
C11	C10	H101	H102	116.5°	120.0°
C10	C11	C12	C16	179.3°	180.0°
C10	C11	C12	C13	179.1°	180.0°
C10	C11	C12	H12	0.8°	0.1°
C10	C11	C16	C15	179.1°	179.8°
C10	C11	C16	H16	0.9°	0.0°
H101	C10	C11	C12	78.0°	150.0°
H101	C10	C11	C16	102.7°	30.0°
H102	C10	C11	C12	172.5°	29.9°
H102	C10	C11	C16	6.8°	150.1°
C11	C12	C13	H12	180.0°	180.0°
C11	C12	C13	C14	0.0°	0.1°
C11	C12	C13	H13	180.0°	180.0°
C12	C11	C16	C15	0.2°	0.2°
C12	C11	C16	H16	179.8°	180.0°
C16	C11	C12	C13	0.1°	0.0°
C16	C11	C12	H12	179.9°	180.0°
C11	C16	C15	C14	0.0°	0.5°
C11	C16	C15	H16	180.0°	179.8°
C11	C16	C15	H15	180.0°	180.0°
C12	C13	C14	H13	180.0°	179.9°
C12	C13	C14	C15	0.1°	0.4°
H12	C12	C13	C14	180.0°	180.0°
H12	C12	C13	H13	0.0°	0.1°
C13	C14	C15	C16	0.1°	0.6°
C13	C14	C15	H15	179.9°	179.9°
H13	C13	C14	C15	179.9°	179.7°
C14	C15	C16	H15	180.0°	179.5°
C14	C15	C16	H16	179.9°	179.7°
H15	C15	C16	H16	0.1°	0.1°

Definition date:	2005-02-01
Last modified:	2020-06-17
Release status:	REL
Processing site:	RCSB
Derived from:	1XPZ