Z9J

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
N	CA	sing	1.47Å	1.47Å
CA	C2	sing	1.53Å	1.52Å
C2	S1	sing	1.81Å	1.81Å
S1	C3	sing	1.81Å	1.82Å
C3	C4	sing	1.51Å	1.51Å
C4	C5	doub	1.38Å	1.39Å	Aromatic
C5	C6	sing	1.38Å	1.39Å	Aromatic
C6	C7	doub	1.38Å	1.39Å	Aromatic
C7	C8	sing	1.38Å	1.39Å	Aromatic
C8	C9	sing	1.51Å	1.51Å
C9	S2	sing	1.81Å	1.82Å
S2	C10	sing	1.81Å	1.81Å
C10	C11	sing	1.53Å	1.52Å
C11	C	sing	1.51Å	1.50Å
C	OXT	sing	1.34Å	1.31Å
C	O	doub	1.21Å	1.22Å
C8	C13	doub	1.38Å	1.39Å	Aromatic
C4	C13	sing	1.38Å	1.39Å	Aromatic
N	H	sing	1.01Å	1.00Å
N	H2	sing	1.01Å	1.00Å
CA	HA3	sing	1.09Å	1.10Å
CA	HA2	sing	1.09Å	1.10Å
C2	H5	sing	1.09Å	1.10Å
C2	H6	sing	1.09Å	1.10Å
C3	H7	sing	1.09Å	1.10Å
C3	H8	sing	1.09Å	1.10Å
C5	H9	sing	1.08Å	1.08Å
C6	H10	sing	1.08Å	1.08Å
C7	H11	sing	1.08Å	1.08Å
C9	H12	sing	1.09Å	1.10Å
C9	H13	sing	1.09Å	1.10Å
C10	H14	sing	1.09Å	1.10Å
C10	H15	sing	1.09Å	1.10Å
C11	H16	sing	1.09Å	1.10Å
C11	H17	sing	1.09Å	1.10Å
OXT	HXT	sing	0.97Å	0.95Å
C13	H19	sing	1.08Å	1.08Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
N	CA	C2	112.8°	109.5°
CA	N	H	109.5°	111.0°
CA	N	H2	109.5°	111.1°
N	CA	HA3	108.6°	109.4°
N	CA	HA2	108.6°	109.5°
CA	C2	S1	113.5°	109.5°
C2	CA	HA3	108.6°	109.4°
C2	CA	HA2	108.6°	109.5°
CA	C2	H5	108.5°	109.5°
CA	C2	H6	108.4°	109.5°
C2	S1	C3	102.4°	103.0°
S1	C2	H5	108.5°	109.5°
S1	C2	H6	108.5°	109.5°
S1	C3	C4	112.9°	109.5°
S1	C3	H7	108.6°	109.5°
S1	C3	H8	108.6°	109.5°
C3	C4	C5	120.8°	120.0°
C3	C4	C13	120.3°	120.0°
C4	C3	H7	108.6°	109.5°
C4	C3	H8	108.6°	109.5°
C4	C5	C6	120.4°	120.0°
C5	C4	C13	118.9°	120.0°
C4	C5	H9	119.8°	120.0°
C5	C6	C7	120.1°	120.0°
C6	C5	H9	119.8°	120.0°
C5	C6	H10	120.0°	120.0°
C6	C7	C8	120.4°	120.0°
C7	C6	H10	120.0°	120.0°
C6	C7	H11	119.8°	120.0°
C7	C8	C9	120.7°	120.0°
C7	C8	C13	118.9°	120.0°
C8	C7	H11	119.8°	120.0°
C8	C9	S2	112.9°	109.5°
C9	C8	C13	120.5°	120.0°
C8	C9	H12	108.6°	109.5°
C8	C9	H13	108.6°	109.4°
C9	S2	C10	101.8°	103.0°
S2	C9	H12	108.6°	109.4°
S2	C9	H13	108.6°	109.5°
S2	C10	C11	112.8°	109.5°
S2	C10	H14	108.7°	109.5°
S2	C10	H15	108.6°	109.5°
C10	C11	C	112.8°	109.5°
C11	C10	H14	108.6°	109.5°
C11	C10	H15	108.7°	109.5°
C10	C11	H16	108.6°	109.5°
C10	C11	H17	108.6°	109.4°
C11	C	OXT	113.9°	120.0°
C11	C	O	123.0°	120.0°
C	C11	H16	108.6°	109.4°
C	C11	H17	108.6°	109.5°
OXT	C	O	123.1°	120.0°
C	OXT	HXT	109.5°	117.0°
C8	C13	C4	121.3°	120.0°
C8	C13	H19	119.3°	120.0°
C4	C13	H19	119.3°	120.0°
H	N	H2	109.4°	111.0°
HA3	CA	HA2	109.5°	109.5°
H5	C2	H6	109.4°	109.5°
H7	C3	H8	109.5°	109.4°
H12	C9	H13	109.4°	109.5°
H14	C10	H15	109.4°	109.4°
H16	C11	H17	109.5°	109.5°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
N	CA	C2	HA3	120.5°	119.9°
N	CA	C2	HA2	120.5°	120.0°
N	CA	C2	S1	173.3°	179.9°
CA	N	H	H2	120.0°	124.0°
N	CA	HA3	HA2	118.5°	120.0°
N	CA	C2	H5	52.7°	60.0°
N	CA	C2	H6	66.0°	60.0°
CA	C2	S1	H5	120.6°	120.0°
CA	C2	S1	H6	120.6°	120.0°
CA	C2	S1	C3	96.8°	180.0°
C2	CA	N	H	180.0°	180.0°
C2	CA	N	H2	60.0°	56.0°
C2	CA	HA3	HA2	118.5°	120.0°
CA	C2	H5	H6	118.1°	120.0°
C2	S1	C3	C4	75.2°	180.0°
S1	C2	CA	HA3	66.2°	60.0°
S1	C2	CA	HA2	52.8°	60.0°
S1	C2	H5	H6	118.2°	120.0°
C2	S1	C3	H7	45.3°	60.0°
C2	S1	C3	H8	164.3°	60.0°
S1	C3	C4	H7	120.5°	120.0°
S1	C3	C4	H8	120.5°	120.0°
S1	C3	C4	C5	102.8°	90.0°
S1	C3	C4	C13	77.2°	90.2°
C3	S1	C2	H5	142.6°	60.0°
C3	S1	C2	H6	23.8°	60.0°
S1	C3	H7	H8	118.4°	120.0°
C3	C4	C5	C13	180.0°	179.8°
C3	C4	C5	C6	180.0°	180.0°
C3	C4	C13	C8	180.0°	179.7°
C4	C3	H7	H8	118.4°	120.0°
C3	C4	C5	H9	0.0°	0.0°
C3	C4	C13	H19	0.0°	0.1°
C4	C5	C6	H9	180.0°	180.0°
C4	C5	C6	C7	0.0°	0.0°
C5	C4	C13	C8	0.0°	0.5°
C5	C4	C3	H7	17.7°	30.1°
C5	C4	C3	H8	136.7°	150.0°
C4	C5	C6	H10	180.0°	180.0°
C5	C4	C13	H19	180.0°	179.7°
C5	C6	C7	H10	180.0°	180.0°
C5	C6	C7	C8	0.0°	0.0°
C6	C5	C4	C13	0.0°	0.2°
C5	C6	C7	H11	179.9°	180.0°
C6	C7	C8	H11	180.0°	179.9°
C6	C7	C8	C9	180.0°	180.0°
C6	C7	C8	C13	0.1°	0.2°
C7	C6	C5	H9	180.0°	180.0°
C7	C8	C9	C13	179.9°	179.8°
C7	C8	C9	S2	94.6°	90.0°
C7	C8	C13	C4	0.1°	0.5°
C8	C7	C6	H10	179.9°	180.0°
C7	C8	C9	H12	25.9°	150.0°
C7	C8	C9	H13	144.8°	30.1°
C7	C8	C13	H19	179.9°	179.7°
C8	C9	S2	H12	120.5°	120.0°
C8	C9	S2	H13	120.5°	120.0°
C8	C9	S2	C10	173.0°	180.0°
C9	C8	C13	C4	180.0°	179.8°
C9	C8	C7	H11	0.0°	0.0°
C8	C9	H12	H13	118.4°	120.0°
C9	C8	C13	H19	0.0°	0.0°
C9	S2	C10	C11	80.8°	180.0°
S2	C9	C8	C13	85.4°	89.8°
S2	C9	H12	H13	118.4°	120.0°
C9	S2	C10	H14	39.7°	60.0°
C9	S2	C10	H15	158.7°	60.0°
S2	C10	C11	H14	120.5°	120.0°
S2	C10	C11	H15	120.5°	120.0°
S2	C10	C11	C	71.0°	179.9°
C10	S2	C9	H12	52.5°	60.0°
C10	S2	C9	H13	66.4°	60.0°
S2	C10	H14	H15	118.5°	120.0°
S2	C10	C11	H16	49.5°	60.0°
S2	C10	C11	H17	168.5°	60.0°
C10	C11	C	H16	120.5°	120.0°
C10	C11	C	H17	120.5°	120.0°
C10	C11	C	OXT	82.8°	180.0°
C10	C11	C	O	97.2°	0.1°
C11	C10	H14	H15	118.5°	120.0°
C10	C11	H16	H17	118.5°	120.0°
C11	C	OXT	O	180.0°	179.9°
C	C11	C10	H14	168.5°	60.0°
C	C11	C10	H15	49.5°	60.0°
C	C11	H16	H17	118.5°	120.0°
C11	C	OXT	HXT	180.0°	180.0°
OXT	C	C11	H16	37.7°	60.1°
OXT	C	C11	H17	156.7°	60.0°
O	C	C11	H16	142.3°	120.1°
O	C	C11	H17	23.3°	119.9°
O	C	OXT	HXT	0.0°	0.1°
C8	C13	C4	H19	180.0°	179.8°
C13	C8	C7	H11	179.9°	179.8°
C13	C8	C9	H12	154.0°	30.2°
C13	C8	C9	H13	35.1°	150.2°
C13	C4	C3	H7	162.3°	149.8°
C13	C4	C3	H8	43.3°	29.8°
C13	C4	C5	H9	180.0°	179.8°
H	N	CA	HA3	59.5°	60.1°
H	N	CA	HA2	59.5°	60.0°
H2	N	CA	HA3	60.5°	63.9°
H2	N	CA	HA2	179.5°	176.1°
HA3	CA	C2	H5	173.2°	180.0°
HA3	CA	C2	H6	54.5°	60.0°
HA2	CA	C2	H5	67.8°	60.0°
HA2	CA	C2	H6	173.5°	180.0°
H9	C5	C6	H10	0.0°	0.0°
H10	C6	C7	H11	0.1°	0.1°
H14	C10	C11	H16	71.0°	180.0°
H14	C10	C11	H17	48.0°	60.0°
H15	C10	C11	H16	170.0°	60.0°
H15	C10	C11	H17	71.0°	180.0°

Release date:	2024-04-24
Definition date:	2024-01-22
Last modified:	2024-04-19
Release status:	REL
Processing site:	PDBE