SL9

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
S1	C7	sing	1.81Å	1.86Å
C7	C8	sing	1.51Å	1.56Å
N4	C8	doub	1.29Å	1.33Å
C8	NZ	sing	1.37Å	1.35Å
NZ	CE	sing	1.46Å	1.49Å
CE	CD	sing	1.53Å	1.55Å
CG	CD	sing	1.53Å	1.53Å
CG	CB	sing	1.53Å	1.53Å
CB	CA	sing	1.53Å	1.53Å
C13	C12	sing	1.51Å	1.54Å
C12	O7	doub	1.21Å	1.23Å
C12	N	sing	1.35Å	1.35Å
CA	N	sing	1.46Å	1.47Å
CA	C	sing	1.51Å	1.55Å
C	N2	sing	1.35Å	1.33Å
C	O	doub	1.21Å	1.23Å
C7	H1	sing	1.09Å	1.10Å
C7	H2	sing	1.09Å	1.10Å
C13	H3	sing	1.09Å	1.10Å
C13	H4	sing	1.09Å	1.10Å
C13	H5	sing	1.09Å	1.10Å
N	H6	sing	0.97Å	1.00Å
CA	H7	sing	1.09Å	1.10Å
CB	H8	sing	1.09Å	1.10Å
CB	H9	sing	1.09Å	1.10Å
CG	H10	sing	1.09Å	1.10Å
CG	H11	sing	1.09Å	1.10Å
CD	H12	sing	1.09Å	1.10Å
CD	H13	sing	1.09Å	1.10Å
CE	H14	sing	1.09Å	1.10Å
CE	H15	sing	1.09Å	1.10Å
NZ	H16	sing	0.97Å	1.00Å
N2	H17	sing	0.97Å	1.00Å
N2	H18	sing	0.97Å	1.00Å
N4	H19	sing	0.97Å	1.00Å
S1	H20	sing	1.35Å	1.30Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
S1	C7	C8	111.0°	109.5°
S1	C7	H1	109.1°	109.4°
S1	C7	H2	109.1°	109.4°
C7	S1	H20	102.0°	103.1°
C7	C8	N4	117.6°	120.0°
C7	C8	NZ	119.9°	120.0°
C8	C7	H1	109.1°	109.5°
C8	C7	H2	109.1°	109.5°
N4	C8	NZ	122.3°	120.0°
C8	N4	H19	112.0°	120.0°
C8	NZ	CE	121.8°	120.0°
C8	NZ	H16	119.1°	120.0°
NZ	CE	CD	113.1°	109.5°
NZ	CE	H14	108.5°	109.5°
NZ	CE	H15	108.5°	109.5°
CE	NZ	H16	119.1°	120.0°
CE	CD	CG	113.9°	109.5°
CE	CD	H12	108.4°	109.5°
CE	CD	H13	108.4°	109.5°
CD	CE	H14	108.6°	109.5°
CD	CE	H15	108.6°	109.4°
CD	CG	CB	108.2°	109.5°
CD	CG	H10	109.8°	109.5°
CD	CG	H11	109.8°	109.4°
CG	CD	H12	108.4°	109.5°
CG	CD	H13	108.3°	109.5°
CG	CB	CA	111.0°	109.5°
CG	CB	H8	109.1°	109.5°
CG	CB	H9	109.1°	109.5°
CB	CG	H10	109.8°	109.5°
CB	CG	H11	109.8°	109.5°
CB	CA	N	109.1°	109.5°
CB	CA	C	111.1°	109.5°
CB	CA	H7	108.3°	109.4°
CA	CB	H8	109.1°	109.5°
CA	CB	H9	109.1°	109.4°
C13	C12	O7	121.0°	120.0°
C13	C12	N	115.3°	120.0°
C12	C13	H3	109.5°	109.5°
C12	C13	H4	109.5°	109.5°
C12	C13	H5	109.5°	109.4°
O7	C12	N	123.7°	120.0°
C12	N	CA	122.4°	120.0°
C12	N	H6	118.8°	120.0°
N	CA	C	111.0°	109.5°
CA	N	H6	118.8°	120.0°
N	CA	H7	109.0°	109.5°
CA	C	N2	114.6°	120.0°
CA	C	O	121.9°	120.0°
C	CA	H7	108.1°	109.5°
N2	C	O	123.5°	120.0°
C	N2	H17	120.0°	120.0°
C	N2	H18	120.0°	120.0°
H1	C7	H2	109.4°	109.4°
H3	C13	H4	109.4°	109.5°
H3	C13	H5	109.5°	109.4°
H4	C13	H5	109.5°	109.5°
H8	CB	H9	109.5°	109.5°
H10	CG	H11	109.5°	109.5°
H12	CD	H13	109.5°	109.4°
H14	CE	H15	109.5°	109.5°
H17	N2	H18	120.0°	120.0°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
S1	C7	C8	H1	120.3°	120.0°
S1	C7	C8	H2	120.2°	120.0°
S1	C7	C8	N4	116.9°	0.0°
S1	C7	C8	NZ	66.4°	180.0°
S1	C7	H1	H2	119.3°	119.9°
C7	C8	N4	NZ	176.7°	180.0°
C7	C8	NZ	CE	177.8°	179.9°
C8	C7	H1	H2	119.3°	120.1°
C7	C8	NZ	H16	2.2°	0.0°
C7	C8	N4	H19	176.7°	180.0°
C8	C7	S1	H20	180.0°	180.0°
N4	C8	NZ	CE	5.6°	0.1°
N4	C8	C7	H1	3.4°	120.0°
N4	C8	C7	H2	122.9°	120.0°
N4	C8	NZ	H16	174.4°	180.0°
C8	NZ	CE	H16	180.0°	179.9°
C8	NZ	CE	CD	158.2°	180.0°
NZ	C8	C7	H1	173.4°	60.0°
NZ	C8	C7	H2	53.9°	60.0°
C8	NZ	CE	H14	37.7°	59.9°
C8	NZ	CE	H15	81.2°	60.1°
NZ	C8	N4	H19	0.0°	0.0°
NZ	CE	CD	H14	120.5°	120.1°
NZ	CE	CD	H15	120.5°	120.0°
NZ	CE	CD	CG	24.3°	180.0°
NZ	CE	CD	H12	145.0°	59.9°
NZ	CE	CD	H13	96.3°	60.0°
NZ	CE	H14	H15	118.3°	120.0°
CE	CD	CG	H12	120.7°	120.0°
CE	CD	CG	H13	120.7°	120.0°
CE	CD	CG	CB	151.6°	180.0°
CE	CD	CG	H10	31.8°	60.0°
CE	CD	CG	H11	88.6°	60.0°
CE	CD	H12	H13	118.0°	120.0°
CD	CE	H14	H15	118.4°	119.9°
CD	CE	NZ	H16	21.8°	0.1°
CD	CG	CB	H10	119.8°	120.0°
CD	CG	CB	H11	119.8°	119.9°
CD	CG	CB	CA	71.2°	180.0°
CD	CG	CB	H8	49.0°	60.0°
CD	CG	CB	H9	168.6°	60.1°
CD	CG	H10	H11	120.6°	120.0°
CG	CD	H12	H13	117.9°	120.0°
CG	CD	CE	H14	96.2°	60.0°
CG	CD	CE	H15	144.9°	60.0°
CG	CB	CA	H8	120.2°	120.0°
CG	CB	CA	H9	120.2°	120.0°
CG	CB	CA	N	99.1°	65.0°
CG	CB	CA	C	138.1°	175.0°
CG	CB	CA	H7	19.5°	55.0°
CG	CB	H8	H9	119.3°	120.0°
CB	CG	H10	H11	120.5°	120.0°
CB	CG	CD	H12	87.7°	60.0°
CB	CG	CD	H13	30.9°	60.0°
CB	CA	N	C12	117.9°	155.0°
CB	CA	N	C	122.8°	120.0°
CB	CA	N	H7	118.1°	120.0°
CB	CA	C	H7	118.8°	120.0°
CB	CA	C	N2	117.9°	60.0°
CB	CA	C	O	62.0°	120.0°
CB	CA	N	H6	62.1°	25.0°
CA	CB	H8	H9	119.3°	120.0°
CA	CB	CG	H10	169.0°	60.0°
CA	CB	CG	H11	48.6°	60.1°
C13	C12	O7	N	179.5°	180.0°
C13	C12	N	CA	0.1°	180.0°
C12	C13	H3	H4	120.0°	120.0°
C12	C13	H3	H5	120.0°	119.9°
C12	C13	H4	H5	120.0°	120.0°
C13	C12	N	H6	179.8°	0.0°
O7	C12	N	CA	179.4°	0.0°
O7	C12	C13	H3	0.0°	0.0°
O7	C12	C13	H4	120.0°	120.0°
O7	C12	C13	H5	120.0°	120.0°
O7	C12	N	H6	0.7°	180.0°
C12	N	CA	H6	180.0°	180.0°
C12	N	CA	C	119.2°	85.0°
N	C12	C13	H3	179.5°	180.0°
N	C12	C13	H4	59.5°	60.0°
N	C12	C13	H5	60.5°	60.0°
C12	N	CA	H7	0.2°	35.0°
N	CA	C	H7	119.6°	120.0°
N	CA	C	N2	120.4°	180.0°
N	CA	C	O	59.7°	0.0°
N	CA	CB	H8	140.7°	55.0°
N	CA	CB	H9	21.1°	175.0°
CA	C	N2	O	179.9°	180.0°
C	CA	N	H6	60.8°	95.0°
C	CA	CB	H8	17.9°	65.0°
C	CA	CB	H9	101.6°	55.0°
CA	C	N2	H17	179.9°	0.1°
CA	C	N2	H18	0.1°	180.0°
N2	C	CA	H7	0.8°	60.0°
C	N2	H17	H18	180.0°	179.9°
O	C	CA	H7	179.3°	120.0°
O	C	N2	H17	0.0°	180.0°
O	C	N2	H18	180.0°	0.0°
H1	C7	S1	H20	59.8°	60.0°
H2	C7	S1	H20	59.7°	60.0°
H3	C13	H4	H5	120.0°	120.0°
H6	N	CA	H7	179.8°	145.0°
H7	CA	CB	H8	100.7°	175.0°
H7	CA	CB	H9	139.7°	65.0°
H8	CB	CG	H10	70.8°	NaN°
H8	CB	CG	H11	168.8°	59.9°
H9	CB	CG	H10	48.8°	59.9°
H9	CB	CG	H11	71.6°	180.0°
H10	CG	CD	H12	152.5°	180.0°
H10	CG	CD	H13	88.9°	60.0°
H11	CG	CD	H12	32.0°	60.0°
H11	CG	CD	H13	150.7°	180.0°
H12	CD	CE	H14	24.5°	180.0°
H12	CD	CE	H15	94.5°	60.1°
H13	CD	CE	H14	143.2°	60.1°
H13	CD	CE	H15	24.2°	180.0°
H14	CE	NZ	H16	142.3°	120.0°
H15	CE	NZ	H16	98.7°	120.0°

Release date:	2023-09-27
Definition date:	2022-12-15
Last modified:	2023-09-22
Release status:	REL
Processing site:	PDBE
Derived from:	8BSO