S9X

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
N	CA	sing	1.47Å	1.49Å
O	C	doub	1.21Å	1.25Å
C	CA	sing	1.51Å	1.55Å
CA	CB	sing	1.53Å	1.55Å
CA	CB1	sing	1.53Å	1.55Å
CB	CG	sing	1.53Å	1.53Å
CE	CD	sing	1.53Å	1.51Å
CB1	CG1	sing	1.53Å	1.52Å
CG	CD	sing	1.53Å	1.51Å
CG1	CD1	sing	1.53Å	1.50Å
CD1	CE1	sing	1.53Å	1.51Å
CB1	H1	sing	1.09Å	1.10Å
CB1	H3	sing	1.09Å	1.10Å
N	H	sing	1.01Å	1.00Å
N	H2	sing	1.01Å	1.00Å
CB	H7	sing	1.09Å	1.10Å
CB	H8	sing	1.09Å	1.10Å
CG	H9	sing	1.09Å	1.10Å
CG	H10	sing	1.09Å	1.10Å
CD	H11	sing	1.09Å	1.10Å
CD	H12	sing	1.09Å	1.10Å
CE	H13	sing	1.09Å	1.10Å
CE	H14	sing	1.09Å	1.10Å
CE	H15	sing	1.09Å	1.10Å
CG1	H16	sing	1.09Å	1.10Å
CG1	H17	sing	1.09Å	1.10Å
CD1	H18	sing	1.09Å	1.10Å
CD1	H19	sing	1.09Å	1.10Å
CE1	H20	sing	1.09Å	1.10Å
CE1	H21	sing	1.09Å	1.10Å
CE1	H22	sing	1.09Å	1.10Å
C	OXT	sing	1.34Å	1.33Å
OXT	HXT	sing	0.97Å	0.95Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
N	CA	C	107.1°	109.5°
N	CA	CB	111.2°	109.4°
N	CA	CB1	108.9°	109.5°
CA	N	H	109.5°	111.0°
CA	N	H2	109.5°	111.0°
O	C	CA	118.3°	120.0°
O	C	OXT	124.4°	120.0°
C	CA	CB	113.3°	109.5°
C	CA	CB1	105.5°	109.5°
CA	C	OXT	117.2°	120.0°
CB	CA	CB1	110.6°	109.5°
CA	CB	CG	118.9°	109.5°
CA	CB	H7	107.1°	109.5°
CA	CB	H8	107.0°	109.4°
CA	CB1	CG1	118.1°	109.5°
CA	CB1	H1	107.3°	109.5°
CA	CB1	H3	107.3°	109.5°
CB	CG	CD	117.8°	109.5°
CG	CB	H7	107.0°	109.5°
CG	CB	H8	107.1°	109.5°
CB	CG	H9	107.4°	109.5°
CB	CG	H10	107.4°	109.4°
CE	CD	CG	113.6°	109.5°
CE	CD	H11	108.5°	109.5°
CE	CD	H12	108.5°	109.4°
CD	CE	H13	109.5°	109.5°
CD	CE	H14	109.5°	109.5°
CD	CE	H15	109.5°	109.5°
CB1	CG1	CD1	113.8°	109.4°
CG1	CB1	H1	107.3°	109.4°
CG1	CB1	H3	107.3°	109.5°
CB1	CG1	H16	108.4°	109.4°
CB1	CG1	H17	108.4°	109.5°
CD	CG	H9	107.3°	109.5°
CD	CG	H10	107.3°	109.5°
CG	CD	H11	108.4°	109.5°
CG	CD	H12	108.4°	109.5°
CG1	CD1	CE1	113.8°	109.4°
CD1	CG1	H16	108.4°	109.5°
CD1	CG1	H17	108.4°	109.6°
CG1	CD1	H18	108.4°	109.5°
CG1	CD1	H19	108.4°	109.5°
CE1	CD1	H18	108.4°	109.4°
CE1	CD1	H19	108.4°	109.5°
CD1	CE1	H20	109.5°	109.4°
CD1	CE1	H21	109.5°	109.5°
CD1	CE1	H22	109.5°	109.5°
H1	CB1	H3	109.5°	109.4°
H	N	H2	109.5°	111.0°
H7	CB	H8	109.5°	109.4°
H9	CG	H10	109.5°	109.5°
H11	CD	H12	109.5°	109.5°
H13	CE	H14	109.5°	109.4°
H13	CE	H15	109.5°	109.5°
H14	CE	H15	109.4°	109.5°
H16	CG1	H17	109.5°	109.4°
H18	CD1	H19	109.5°	109.5°
H20	CE1	H21	109.5°	109.4°
H20	CE1	H22	109.5°	109.4°
H21	CE1	H22	109.4°	109.5°
C	OXT	HXT	109.5°	117.0°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
N	CA	C	O	124.9°	145.0°
N	CA	C	CB	123.0°	119.9°
N	CA	C	CB1	115.9°	120.0°
N	CA	CB	CB1	121.1°	120.0°
N	CA	CB	CG	153.6°	60.0°
N	CA	CB1	CG1	60.3°	55.0°
N	CA	CB1	H1	60.9°	65.0°
N	CA	CB1	H3	178.5°	175.0°
CA	N	H	H2	120.0°	124.0°
N	CA	CB	H7	85.1°	180.0°
N	CA	CB	H8	32.2°	60.1°
N	CA	C	OXT	53.8°	34.7°
O	C	CA	OXT	178.7°	179.8°
O	C	CA	CB	1.9°	95.0°
O	C	CA	CB1	119.2°	25.0°
O	C	OXT	HXT	0.0°	0.1°
C	CA	CB	CB1	118.2°	120.0°
C	CA	CB	CG	85.7°	60.0°
C	CA	CB1	CG1	174.9°	65.0°
C	CA	CB1	H1	53.7°	175.0°
C	CA	CB1	H3	63.9°	55.0°
C	CA	N	H	180.0°	180.0°
C	CA	N	H2	60.0°	56.1°
C	CA	CB	H7	35.6°	60.0°
C	CA	CB	H8	152.9°	180.0°
CA	C	OXT	HXT	178.6°	179.7°
CA	CB	CG	H7	121.3°	120.0°
CA	CB	CG	H8	121.3°	120.0°
CB	CA	CB1	CG1	62.2°	175.0°
CA	CB	CG	CD	74.3°	180.0°
CB	CA	CB1	H1	176.6°	55.0°
CB	CA	CB1	H3	59.0°	65.0°
CB	CA	N	H	55.8°	60.0°
CB	CA	N	H2	64.3°	176.0°
CA	CB	H7	H8	115.7°	119.9°
CA	CB	CG	H9	164.5°	60.0°
CA	CB	CG	H10	46.9°	60.0°
CB	CA	C	OXT	176.8°	85.2°
CB1	CA	CB	CG	32.5°	180.0°
CA	CB1	CG1	H1	121.2°	120.0°
CA	CB1	CG1	H3	121.2°	120.0°
CA	CB1	CG1	CD1	175.7°	180.0°
CA	CB1	H1	H3	116.1°	120.0°
CB1	CA	N	H	66.4°	60.0°
CB1	CA	N	H2	173.6°	64.0°
CB1	CA	CB	H7	153.8°	60.0°
CB1	CA	CB	H8	88.9°	60.0°
CA	CB1	CG1	H16	63.7°	60.0°
CA	CB1	CG1	H17	55.0°	59.9°
CB1	CA	C	OXT	62.1°	154.8°
CB	CG	CD	CE	70.5°	180.0°
CB	CG	CD	H9	121.2°	120.0°
CB	CG	CD	H10	121.2°	119.9°
CG	CB	H7	H8	115.7°	120.0°
CB	CG	H9	H10	116.2°	120.0°
CB	CG	CD	H11	50.1°	60.0°
CB	CG	CD	H12	168.9°	60.0°
CE	CD	CG	H11	120.6°	120.0°
CE	CD	CG	H12	120.6°	120.0°
CE	CD	CG	H9	50.7°	60.0°
CE	CD	CG	H10	168.3°	60.1°
CE	CD	H11	H12	118.2°	120.0°
CD	CE	H13	H14	120.0°	120.0°
CD	CE	H13	H15	120.0°	120.0°
CD	CE	H14	H15	120.0°	120.1°
CB1	CG1	CD1	H16	120.6°	119.9°
CB1	CG1	CD1	H17	120.6°	120.0°
CB1	CG1	CD1	CE1	175.0°	180.0°
CG1	CB1	H1	H3	116.1°	120.0°
CB1	CG1	H16	H17	118.0°	120.0°
CB1	CG1	CD1	H18	64.3°	60.1°
CB1	CG1	CD1	H19	54.4°	60.0°
CD	CG	CB	H7	47.0°	60.0°
CD	CG	CB	H8	164.4°	60.0°
CD	CG	H9	H10	116.2°	120.0°
CG	CD	H11	H12	118.1°	120.0°
CG	CD	CE	H13	180.0°	60.0°
CG	CD	CE	H14	60.0°	60.0°
CG	CD	CE	H15	60.0°	180.0°
CG1	CD1	CE1	H18	120.6°	119.9°
CG1	CD1	CE1	H19	120.6°	120.0°
CD1	CG1	CB1	H1	54.5°	60.0°
CD1	CG1	CB1	H3	63.1°	59.9°
CD1	CG1	H16	H17	118.1°	120.1°
CG1	CD1	H18	H19	118.1°	120.1°
CG1	CD1	CE1	H20	180.0°	60.0°
CG1	CD1	CE1	H21	60.0°	59.9°
CG1	CD1	CE1	H22	60.0°	180.0°
CE1	CD1	CG1	H16	54.4°	60.1°
CE1	CD1	CG1	H17	64.3°	60.0°
CE1	CD1	H18	H19	118.0°	120.0°
CD1	CE1	H20	H21	120.0°	120.0°
CD1	CE1	H20	H22	120.0°	120.0°
CD1	CE1	H21	H22	120.0°	120.1°
H1	CB1	CG1	H16	175.1°	180.0°
H1	CB1	CG1	H17	66.2°	60.1°
H3	CB1	CG1	H16	57.5°	60.0°
H3	CB1	CG1	H17	176.3°	180.0°
H7	CB	CG	H9	74.1°	180.0°
H7	CB	CG	H10	168.2°	60.0°
H8	CB	CG	H9	43.2°	60.0°
H8	CB	CG	H10	74.4°	180.0°
H9	CG	CD	H11	171.3°	180.0°
H9	CG	CD	H12	69.9°	60.0°
H10	CG	CD	H11	71.1°	60.0°
H10	CG	CD	H12	47.7°	180.0°
H11	CD	CE	H13	59.4°	180.0°
H11	CD	CE	H14	60.6°	60.0°
H11	CD	CE	H15	179.4°	60.0°
H12	CD	CE	H13	59.4°	60.0°
H12	CD	CE	H14	179.4°	180.0°
H12	CD	CE	H15	60.6°	60.0°
H13	CE	H14	H15	120.0°	120.0°
H16	CG1	CD1	H18	175.1°	180.0°
H16	CG1	CD1	H19	66.2°	60.0°
H17	CG1	CD1	H18	56.3°	59.9°
H17	CG1	CD1	H19	175.0°	180.0°
H18	CD1	CE1	H20	59.3°	180.0°
H18	CD1	CE1	H21	179.4°	60.0°
H18	CD1	CE1	H22	60.7°	60.1°
H19	CD1	CE1	H20	59.4°	60.0°
H19	CD1	CE1	H21	60.6°	180.0°
H19	CD1	CE1	H22	179.4°	60.0°
H20	CE1	H21	H22	120.0°	120.0°

Release date:	2023-10-11
Definition date:	2022-12-15
Last modified:	2023-11-03
Release status:	REL
Processing site:	PDBE
Derived from:	8BWF